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 1p0c_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 0.000 174.986 174.990 -0.007 0.000 1.270 2001 C CA 0.000 59.020 59.018 0.004 0.000 1.963 2001 C CB 0.000 27.743 27.740 0.005 0.000 2.134 2002 T N 0.264 114.811 114.554 -0.010 0.000 3.040 2002 T HA 0.514 4.864 4.350 0.000 0.000 0.266 2002 T C 0.597 175.278 174.700 -0.031 0.000 1.005 2002 T CA 0.731 62.809 62.100 -0.036 0.000 0.906 2002 T CB 0.019 68.841 68.868 -0.076 0.000 1.082 2002 T HN 1.707 nan 8.240 nan 0.000 0.531 2003 A N 0.947 123.760 122.820 -0.012 0.000 2.546 2003 A HA 0.522 4.842 4.320 0.000 0.000 0.243 2003 A C 1.748 179.322 177.584 -0.017 0.000 1.063 2003 A CA 0.389 52.421 52.037 -0.009 0.000 0.757 2003 A CB -1.101 17.898 19.000 -0.002 0.000 0.991 2003 A HN 1.529 nan 8.150 nan 0.000 0.503 2004 G N 1.645 110.434 108.800 -0.019 0.000 2.155 2004 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 2004 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 2004 G C 0.163 175.048 174.900 -0.025 0.000 0.983 2004 G CA 1.067 46.154 45.100 -0.022 0.000 0.676 2004 G HN 0.890 nan 8.290 nan 0.000 0.528 2005 K N 0.297 120.678 120.400 -0.033 0.000 2.328 2005 K HA 0.425 4.745 4.320 0.000 0.000 0.246 2005 K C -0.830 175.740 176.600 -0.050 0.000 0.955 2005 K CA -1.091 55.173 56.287 -0.038 0.000 0.817 2005 K CB 1.440 33.916 32.500 -0.039 0.000 1.208 2005 K HN 0.051 nan 8.250 nan 0.000 0.432 2006 D N 1.899 122.273 120.400 -0.043 0.000 2.382 2006 D HA 0.170 4.810 4.640 0.000 0.000 0.245 2006 D C -0.094 176.163 176.300 -0.072 0.000 1.120 2006 D CA 0.381 54.354 54.000 -0.045 0.000 0.890 2006 D CB 0.871 41.656 40.800 -0.026 0.000 1.201 2006 D HN 0.276 nan 8.370 nan 0.000 0.433 2007 I N 1.017 121.529 120.570 -0.097 0.000 2.474 2007 I HA 0.143 4.313 4.170 0.000 0.000 0.294 2007 I C 0.422 176.482 176.117 -0.094 0.000 1.005 2007 I CA -0.657 60.545 61.300 -0.163 0.000 1.113 2007 I CB 1.979 39.752 38.000 -0.380 0.000 1.289 2007 I HN 0.239 nan 8.210 nan 0.000 0.436 2008 T N 2.729 117.239 114.554 -0.073 0.000 2.771 2008 T HA 0.674 5.024 4.350 0.000 0.000 0.281 2008 T C -0.295 174.398 174.700 -0.012 0.000 0.982 2008 T CA -0.627 61.459 62.100 -0.023 0.000 0.978 2008 T CB 1.049 69.911 68.868 -0.010 0.000 0.930 2008 T HN 0.833 nan 8.240 nan 0.000 0.447 2009 C N 1.599 120.913 119.300 0.023 0.000 3.335 2009 C HA 0.812 5.272 4.460 0.000 0.000 0.356 2009 C C -0.620 174.384 174.990 0.024 0.000 1.570 2009 C CA -1.252 57.800 59.018 0.057 0.000 1.271 2009 C CB 0.999 28.846 27.740 0.177 0.000 1.873 2009 C HN 1.160 nan 8.230 nan 0.000 0.439 2010 K N 0.834 121.234 120.400 -0.001 0.000 2.098 2010 K HA 0.750 5.070 4.320 0.000 0.000 0.258 2010 K C -0.535 176.007 176.600 -0.096 0.000 0.973 2010 K CA 0.155 56.411 56.287 -0.052 0.000 0.898 2010 K CB 1.496 33.947 32.500 -0.083 0.000 1.057 2010 K HN 1.320 nan 8.250 nan 0.000 0.447 2011 A N 1.388 124.148 122.820 -0.100 0.000 2.605 2011 A HA 0.614 4.934 4.320 0.000 0.000 0.294 2011 A C -1.775 175.754 177.584 -0.091 0.000 1.062 2011 A CA -0.700 51.264 52.037 -0.121 0.000 0.682 2011 A CB 1.439 20.335 19.000 -0.174 0.000 1.278 2011 A HN 0.682 nan 8.150 nan 0.000 0.410 2012 A N 1.215 124.003 122.820 -0.054 0.000 2.294 2012 A HA 0.603 4.923 4.320 0.000 0.000 0.316 2012 A C -0.304 177.249 177.584 -0.050 0.000 1.359 2012 A CA -0.303 51.717 52.037 -0.029 0.000 0.956 2012 A CB -0.217 18.777 19.000 -0.009 0.000 1.155 2012 A HN 1.286 nan 8.150 nan 0.000 0.544 2013 V N 1.812 121.639 119.914 -0.145 0.000 2.539 2013 V HA 0.602 4.723 4.120 0.000 0.000 0.292 2013 V C 0.702 176.624 176.094 -0.287 0.000 1.045 2013 V CA -0.151 61.950 62.300 -0.332 0.000 0.945 2013 V CB 1.644 33.057 31.823 -0.683 0.000 0.993 2013 V HN 0.991 nan 8.190 nan 0.000 0.464 2014 A N 3.387 126.065 122.820 -0.235 0.000 2.412 2014 A HA 0.402 4.722 4.320 0.000 0.000 0.334 2014 A C 0.133 177.760 177.584 0.072 0.000 1.419 2014 A CA -0.516 51.518 52.037 -0.005 0.000 0.930 2014 A CB -0.151 18.931 19.000 0.138 0.000 1.149 2014 A HN 0.976 nan 8.150 nan 0.000 0.515 2015 W N 1.516 122.916 121.300 0.167 0.000 2.425 2015 W HA 0.061 4.721 4.660 0.000 0.000 0.277 2015 W C 1.163 177.770 176.519 0.147 0.000 1.231 2015 W CA 1.262 58.701 57.345 0.157 0.000 1.248 2015 W CB 0.342 29.845 29.460 0.072 0.000 1.117 2015 W HN 0.767 nan 8.180 nan 0.000 0.568 2016 E N -1.881 118.455 120.200 0.226 0.000 2.401 2016 E HA 0.298 4.648 4.350 0.000 0.000 0.280 2016 E C -2.940 173.417 176.600 -0.406 0.000 1.039 2016 E CA -2.281 53.989 56.400 -0.216 0.000 0.814 2016 E CB 1.665 31.320 29.700 -0.075 0.000 1.275 2016 E HN -0.353 nan 8.360 nan 0.000 0.448 2017 P HA 0.052 nan 4.420 nan 0.000 0.273 2017 P C -0.441 176.695 177.300 -0.273 0.000 1.250 2017 P CA 0.072 62.808 63.100 -0.606 0.000 0.793 2017 P CB 0.089 31.320 31.700 -0.782 0.000 1.011 2018 H N -3.132 115.901 119.070 -0.060 0.000 3.100 2018 H HA -0.162 4.394 4.556 0.000 0.000 0.271 2018 H C -0.068 175.243 175.328 -0.028 0.000 1.116 2018 H CA 1.092 57.122 56.048 -0.030 0.000 1.177 2018 H CB -1.381 28.360 29.762 -0.035 0.000 1.294 2018 H HN 0.379 nan 8.280 nan 0.000 0.334 2019 K N 0.637 121.055 120.400 0.030 0.000 2.267 2019 K HA 0.453 4.773 4.320 0.000 0.000 0.246 2019 K C -2.179 174.412 176.600 -0.015 0.000 0.954 2019 K CA -1.984 54.318 56.287 0.025 0.000 0.824 2019 K CB 1.389 33.912 32.500 0.039 0.000 1.167 2019 K HN -0.086 nan 8.250 nan 0.000 0.431 2020 P HA 0.111 nan 4.420 nan 0.000 0.267 2020 P C -0.233 177.032 177.300 -0.059 0.000 1.200 2020 P CA -0.179 62.880 63.100 -0.068 0.000 0.772 2020 P CB 0.424 32.107 31.700 -0.029 0.000 0.855 2021 L N 1.321 122.460 121.223 -0.140 0.000 2.453 2021 L HA 0.124 4.464 4.340 0.000 0.000 0.272 2021 L C 0.950 177.819 176.870 -0.002 0.000 1.182 2021 L CA 0.186 54.976 54.840 -0.084 0.000 0.858 2021 L CB 0.360 42.329 42.059 -0.150 0.000 1.120 2021 L HN 0.395 nan 8.230 nan 0.000 0.474 2022 S N 3.640 119.384 115.700 0.074 0.000 2.457 2022 S HA 0.464 4.934 4.470 0.000 0.000 0.289 2022 S C -0.435 174.222 174.600 0.095 0.000 1.163 2022 S CA -0.835 57.451 58.200 0.144 0.000 1.078 2022 S CB 0.557 63.983 63.200 0.377 0.000 0.987 2022 S HN 0.339 nan 8.310 nan 0.000 0.482 2023 L N 5.638 126.898 121.223 0.062 0.000 2.360 2023 L HA 0.487 4.827 4.340 0.000 0.000 0.276 2023 L C 0.576 177.486 176.870 0.066 0.000 1.121 2023 L CA 0.644 55.501 54.840 0.028 0.000 0.845 2023 L CB 0.582 42.641 42.059 -0.000 0.000 1.143 2023 L HN 0.656 nan 8.230 nan 0.000 0.452 2024 E N 0.846 121.078 120.200 0.052 0.000 2.392 2024 E HA 0.522 4.873 4.350 0.000 0.000 0.269 2024 E C -0.709 175.913 176.600 0.036 0.000 0.924 2024 E CA -0.698 55.753 56.400 0.086 0.000 0.784 2024 E CB 1.908 31.705 29.700 0.163 0.000 1.292 2024 E HN 0.485 nan 8.360 nan 0.000 0.447 2025 T N -0.994 113.590 114.554 0.049 0.000 2.767 2025 T HA 0.722 5.072 4.350 0.000 0.000 0.288 2025 T C 0.614 175.336 174.700 0.037 0.000 0.963 2025 T CA -0.715 61.403 62.100 0.029 0.000 1.019 2025 T CB 0.014 68.899 68.868 0.029 0.000 0.923 2025 T HN 0.482 nan 8.240 nan 0.000 0.468 2026 I N -0.759 119.823 120.570 0.019 0.000 3.206 2026 I HA 0.800 4.970 4.170 0.000 0.000 0.313 2026 I C -0.879 175.263 176.117 0.041 0.000 1.103 2026 I CA -1.169 60.147 61.300 0.027 0.000 0.985 2026 I CB 2.442 40.431 38.000 -0.018 0.000 1.240 2026 I HN 0.433 nan 8.210 nan 0.000 0.464 2027 T N 2.491 117.083 114.554 0.064 0.000 2.797 2027 T HA 0.567 4.917 4.350 0.000 0.000 0.279 2027 T C -0.525 174.247 174.700 0.120 0.000 0.991 2027 T CA -0.438 61.699 62.100 0.062 0.000 0.979 2027 T CB 1.695 70.589 68.868 0.043 0.000 0.943 2027 T HN 0.410 nan 8.240 nan 0.000 0.444 2028 V N 2.898 122.874 119.914 0.104 0.000 2.357 2028 V HA 0.669 4.789 4.120 0.000 0.000 0.284 2028 V C 0.586 176.703 176.094 0.038 0.000 1.018 2028 V CA -1.055 61.337 62.300 0.154 0.000 0.841 2028 V CB 0.999 32.950 31.823 0.212 0.000 0.991 2028 V HN 1.116 nan 8.190 nan 0.000 0.437 2029 A N 7.553 130.377 122.820 0.006 0.000 2.346 2029 A HA 0.701 5.021 4.320 0.000 0.000 0.252 2029 A C -2.394 175.170 177.584 -0.034 0.000 1.089 2029 A CA -1.182 50.840 52.037 -0.025 0.000 0.797 2029 A CB -0.074 18.901 19.000 -0.041 0.000 1.047 2029 A HN 0.654 nan 8.150 nan 0.000 0.494 2030 P HA 0.215 nan 4.420 nan 0.000 0.272 2030 P C -2.478 174.801 177.300 -0.035 0.000 1.230 2030 P CA -0.858 62.224 63.100 -0.030 0.000 0.788 2030 P CB 0.006 31.689 31.700 -0.029 0.000 0.949 2031 P HA 0.148 nan 4.420 nan 0.000 0.276 2031 P C -0.428 176.849 177.300 -0.039 0.000 1.230 2031 P CA 0.151 63.231 63.100 -0.033 0.000 0.776 2031 P CB 1.050 32.740 31.700 -0.017 0.000 0.888 2032 K N 1.406 121.781 120.400 -0.042 0.000 2.646 2032 K HA 0.538 4.858 4.320 0.000 0.000 0.270 2032 K C 0.416 176.985 176.600 -0.052 0.000 1.026 2032 K CA -0.832 55.430 56.287 -0.042 0.000 1.043 2032 K CB 0.294 32.774 32.500 -0.034 0.000 1.383 2032 K HN 0.483 nan 8.250 nan 0.000 0.513 2033 A N 1.611 124.395 122.820 -0.060 0.000 2.566 2033 A HA -0.040 4.280 4.320 0.000 0.000 0.245 2033 A C -0.207 177.340 177.584 -0.061 0.000 1.056 2033 A CA 0.421 52.380 52.037 -0.130 0.000 0.757 2033 A CB -0.592 18.360 19.000 -0.079 0.000 0.979 2033 A HN 0.859 nan 8.150 nan 0.000 0.508 2034 H N 0.059 119.119 119.070 -0.017 0.000 2.839 2034 H HA -0.123 4.433 4.556 0.000 0.000 0.298 2034 H C -0.053 175.263 175.328 -0.020 0.000 1.224 2034 H CA 1.583 57.620 56.048 -0.017 0.000 1.144 2034 H CB -1.477 28.274 29.762 -0.019 0.000 1.372 2034 H HN 0.897 nan 8.280 nan 0.000 0.408 2035 E N -0.280 119.937 120.200 0.028 0.000 2.336 2035 E HA 0.688 5.039 4.350 0.000 0.000 0.267 2035 E C -0.361 176.242 176.600 0.004 0.000 0.906 2035 E CA -1.038 55.370 56.400 0.013 0.000 0.781 2035 E CB 3.060 32.752 29.700 -0.012 0.000 1.261 2035 E HN -0.021 nan 8.360 nan 0.000 0.436 2036 V N 1.662 121.582 119.914 0.011 0.000 2.686 2036 V HA 0.401 4.521 4.120 0.000 0.000 0.306 2036 V C -0.548 175.567 176.094 0.035 0.000 1.065 2036 V CA -0.819 61.493 62.300 0.021 0.000 0.894 2036 V CB 1.929 33.767 31.823 0.026 0.000 1.004 2036 V HN 0.547 nan 8.190 nan 0.000 0.424 2037 R N 3.918 124.449 120.500 0.053 0.000 2.312 2037 R HA 0.755 5.095 4.340 0.000 0.000 0.311 2037 R C -1.250 175.128 176.300 0.131 0.000 1.004 2037 R CA -0.358 55.801 56.100 0.099 0.000 0.902 2037 R CB 0.944 31.308 30.300 0.107 0.000 1.073 2037 R HN 0.722 nan 8.270 nan 0.000 0.457 2038 I N 3.560 124.219 120.570 0.148 0.000 2.509 2038 I HA 0.277 4.447 4.170 0.000 0.000 0.293 2038 I C -0.355 175.784 176.117 0.036 0.000 1.020 2038 I CA -0.865 60.493 61.300 0.097 0.000 1.088 2038 I CB 2.081 40.117 38.000 0.059 0.000 1.267 2038 I HN 0.480 nan 8.210 nan 0.000 0.430 2039 K N 6.931 127.272 120.400 -0.098 0.000 2.262 2039 K HA 0.370 4.690 4.320 0.000 0.000 0.282 2039 K C -0.606 175.855 176.600 -0.231 0.000 1.066 2039 K CA -0.588 55.414 56.287 -0.475 0.000 0.901 2039 K CB 0.647 32.914 32.500 -0.389 0.000 1.089 2039 K HN 0.444 nan 8.250 nan 0.000 0.476 2040 I N 6.752 127.221 120.570 -0.168 0.000 2.471 2040 I HA -0.040 4.130 4.170 0.000 0.000 0.286 2040 I C 1.233 177.288 176.117 -0.103 0.000 1.079 2040 I CA 0.230 61.492 61.300 -0.064 0.000 1.398 2040 I CB 0.762 38.810 38.000 0.081 0.000 1.403 2040 I HN 0.805 nan 8.210 nan 0.000 0.530 2041 L N 5.124 126.244 121.223 -0.172 0.000 2.316 2041 L HA 0.307 4.648 4.340 0.000 0.000 0.207 2041 L C 0.799 177.485 176.870 -0.306 0.000 1.070 2041 L CA 0.426 55.170 54.840 -0.159 0.000 0.820 2041 L CB 0.026 42.026 42.059 -0.099 0.000 0.992 2041 L HN 0.741 nan 8.230 nan 0.000 0.466 2042 A N -0.966 121.624 122.820 -0.384 0.000 2.547 2042 A HA 0.656 4.976 4.320 0.000 0.000 0.297 2042 A C -1.070 176.277 177.584 -0.396 0.000 1.056 2042 A CA -0.307 51.471 52.037 -0.431 0.000 0.688 2042 A CB 1.895 20.767 19.000 -0.213 0.000 1.282 2042 A HN -0.106 nan 8.150 nan 0.000 0.400 2043 S N 0.326 115.797 115.700 -0.380 0.000 2.541 2043 S HA 0.790 5.261 4.470 0.000 0.000 0.280 2043 S C 0.054 174.636 174.600 -0.030 0.000 1.112 2043 S CA 0.199 58.318 58.200 -0.136 0.000 0.925 2043 S CB 1.503 64.713 63.200 0.017 0.000 1.067 2043 S HN 1.896 nan 8.310 nan 0.000 0.479 2044 G N 2.181 110.990 108.800 0.015 0.000 2.461 2044 G HA2 0.628 4.588 3.960 0.000 0.000 0.329 2044 G HA3 0.628 4.588 3.960 0.000 0.000 0.329 2044 G C -0.956 173.997 174.900 0.089 0.000 1.170 2044 G CA -0.615 44.488 45.100 0.005 0.000 0.935 2044 G HN 0.641 nan 8.290 nan 0.000 0.492 2045 I N 0.664 121.236 120.570 0.004 0.000 2.354 2045 I HA 0.275 4.445 4.170 0.000 0.000 0.286 2045 I C 0.144 176.209 176.117 -0.087 0.000 1.007 2045 I CA -0.924 60.366 61.300 -0.018 0.000 1.167 2045 I CB 0.541 38.390 38.000 -0.252 0.000 1.320 2045 I HN 0.359 nan 8.210 nan 0.000 0.458 2046 C N 4.438 123.708 119.300 -0.049 0.000 2.358 2046 C HA 0.648 5.108 4.460 0.000 0.000 0.354 2046 C C 1.990 176.970 174.990 -0.016 0.000 1.183 2046 C CA -0.061 58.932 59.018 -0.041 0.000 2.150 2046 C CB 1.088 28.793 27.740 -0.058 0.000 2.361 2046 C HN 1.018 nan 8.230 nan 0.000 0.535 2047 G N 2.136 110.943 108.800 0.012 0.000 2.450 2047 G HA2 -0.149 3.811 3.960 0.000 0.000 0.220 2047 G HA3 -0.149 3.811 3.960 0.000 0.000 0.220 2047 G C 1.631 176.574 174.900 0.073 0.000 1.130 2047 G CA 1.269 46.391 45.100 0.035 0.000 0.760 2047 G HN 0.775 nan 8.290 nan 0.000 0.557 2048 S N 0.763 116.513 115.700 0.084 0.000 2.383 2048 S HA -0.122 4.349 4.470 0.000 0.000 0.229 2048 S C 2.001 176.651 174.600 0.082 0.000 1.030 2048 S CA 1.371 59.608 58.200 0.062 0.000 1.002 2048 S CB -0.251 62.960 63.200 0.019 0.000 0.829 2048 S HN 0.423 nan 8.310 nan 0.000 0.467 2049 D N 0.820 121.314 120.400 0.157 0.000 2.097 2049 D HA -0.076 4.564 4.640 0.000 0.000 0.195 2049 D C 2.152 178.666 176.300 0.357 0.000 0.989 2049 D CA 1.091 55.231 54.000 0.233 0.000 0.827 2049 D CB -0.463 40.540 40.800 0.340 0.000 0.966 2049 D HN 0.359 nan 8.370 nan 0.000 0.456 2050 S N 0.136 116.042 115.700 0.343 0.000 2.382 2050 S HA -0.129 4.341 4.470 0.000 0.000 0.228 2050 S C 2.113 176.852 174.600 0.233 0.000 1.027 2050 S CA 1.373 59.814 58.200 0.402 0.000 0.991 2050 S CB -0.066 63.290 63.200 0.259 0.000 0.823 2050 S HN 0.055 nan 8.310 nan 0.000 0.469 2051 S N 0.443 116.235 115.700 0.152 0.000 2.423 2051 S HA -0.022 4.448 4.470 0.000 0.000 0.231 2051 S C 1.774 176.425 174.600 0.086 0.000 1.014 2051 S CA 1.086 59.348 58.200 0.103 0.000 0.965 2051 S CB -0.249 62.993 63.200 0.069 0.000 0.785 2051 S HN 0.421 nan 8.310 nan 0.000 0.495 2052 V N 1.810 121.777 119.914 0.089 0.000 2.379 2052 V HA -0.056 4.064 4.120 0.000 0.000 0.245 2052 V C 2.101 178.285 176.094 0.151 0.000 1.044 2052 V CA 1.246 63.592 62.300 0.077 0.000 1.036 2052 V CB -0.552 31.274 31.823 0.004 0.000 0.664 2052 V HN 0.436 nan 8.190 nan 0.000 0.453 2053 L N -0.338 120.974 121.223 0.148 0.000 2.131 2053 L HA -0.166 4.174 4.340 0.000 0.000 0.210 2053 L C 2.232 179.038 176.870 -0.107 0.000 1.092 2053 L CA 1.546 56.438 54.840 0.087 0.000 0.759 2053 L CB -0.430 41.664 42.059 0.059 0.000 0.903 2053 L HN 0.323 nan 8.230 nan 0.000 0.435 2054 K N -0.178 120.205 120.400 -0.029 0.000 2.444 2054 K HA 0.035 4.355 4.320 0.000 0.000 0.193 2054 K C 0.054 176.624 176.600 -0.049 0.000 1.024 2054 K CA 0.005 56.263 56.287 -0.048 0.000 1.077 2054 K CB 0.331 32.902 32.500 0.118 0.000 0.833 2054 K HN 0.189 nan 8.250 nan 0.000 0.517 2055 E N -0.498 119.675 120.200 -0.046 0.000 3.070 2055 E HA -0.253 4.097 4.350 0.000 0.000 0.285 2055 E C 0.676 177.316 176.600 0.066 0.000 0.972 2055 E CA 0.423 56.841 56.400 0.030 0.000 0.915 2055 E CB -1.858 27.855 29.700 0.022 0.000 1.466 2055 E HN 0.400 nan 8.360 nan 0.000 0.432 2056 I N 0.222 120.831 120.570 0.066 0.000 2.406 2056 I HA -0.047 4.123 4.170 0.000 0.000 0.249 2056 I C 1.286 177.430 176.117 0.045 0.000 1.122 2056 I CA 0.985 62.323 61.300 0.062 0.000 1.431 2056 I CB 0.134 38.173 38.000 0.067 0.000 1.087 2056 I HN 0.074 nan 8.210 nan 0.000 0.424 2057 I N 1.686 122.279 120.570 0.037 0.000 2.362 2057 I HA 0.277 4.447 4.170 0.000 0.000 0.289 2057 I C -2.331 173.795 176.117 0.016 0.000 0.994 2057 I CA -2.053 59.255 61.300 0.014 0.000 1.158 2057 I CB 1.356 39.348 38.000 -0.014 0.000 1.315 2057 I HN -0.268 nan 8.210 nan 0.000 0.451 2058 P HA 0.086 nan 4.420 nan 0.000 0.266 2058 P C -0.634 176.645 177.300 -0.034 0.000 1.195 2058 P CA 0.133 63.241 63.100 0.013 0.000 0.768 2058 P CB 0.738 32.442 31.700 0.006 0.000 0.838 2059 S N 1.295 116.973 115.700 -0.036 0.000 2.565 2059 S HA 0.327 4.797 4.470 0.000 0.000 0.274 2059 S C -1.308 173.160 174.600 -0.220 0.000 1.144 2059 S CA -0.944 57.142 58.200 -0.190 0.000 0.849 2059 S CB 0.774 63.776 63.200 -0.330 0.000 1.103 2059 S HN 0.211 nan 8.310 nan 0.000 0.455 2060 K N 1.353 121.528 120.400 -0.376 0.000 2.107 2060 K HA 0.612 4.932 4.320 0.000 0.000 0.251 2060 K C -1.214 175.124 176.600 -0.437 0.000 1.012 2060 K CA -0.213 55.847 56.287 -0.379 0.000 0.920 2060 K CB 0.505 32.471 32.500 -0.891 0.000 1.033 2060 K HN 0.425 nan 8.250 nan 0.000 0.478 2061 F N 0.932 120.853 119.950 -0.048 0.000 2.588 2061 F HA 0.337 4.864 4.527 0.000 0.000 0.314 2061 F C -1.944 174.015 175.800 0.265 0.000 1.069 2061 F CA -2.207 55.855 58.000 0.102 0.000 0.931 2061 F CB 1.390 40.432 39.000 0.070 0.000 1.260 2061 F HN 0.399 nan 8.300 nan 0.000 0.465 2062 P HA 0.355 nan 4.420 nan 0.000 0.274 2062 P C -1.283 176.054 177.300 0.062 0.000 1.231 2062 P CA -0.235 62.987 63.100 0.202 0.000 0.790 2062 P CB 2.260 33.926 31.700 -0.056 0.000 0.951 2063 V N 2.677 122.515 119.914 -0.126 0.000 3.012 2063 V HA 0.425 4.545 4.120 0.000 0.000 0.307 2063 V C -0.982 175.000 176.094 -0.187 0.000 1.166 2063 V CA -1.007 61.199 62.300 -0.157 0.000 0.974 2063 V CB 2.164 33.790 31.823 -0.329 0.000 1.040 2063 V HN 0.357 nan 8.190 nan 0.000 0.428 2064 I N 6.706 127.180 120.570 -0.159 0.000 2.312 2064 I HA 0.370 4.540 4.170 0.000 0.000 0.290 2064 I C 0.243 176.269 176.117 -0.151 0.000 1.008 2064 I CA -0.240 60.953 61.300 -0.178 0.000 1.226 2064 I CB 1.294 39.087 38.000 -0.345 0.000 1.371 2064 I HN 0.487 nan 8.210 nan 0.000 0.468 2065 L N 5.007 126.136 121.223 -0.156 0.000 2.855 2065 L HA 0.711 5.051 4.340 0.000 0.000 0.204 2065 L C 0.708 177.035 176.870 -0.906 0.000 1.206 2065 L CA -0.613 54.005 54.840 -0.370 0.000 0.942 2065 L CB 0.188 42.134 42.059 -0.190 0.000 1.832 2065 L HN 0.784 nan 8.230 nan 0.000 0.522 2066 G N 0.228 108.334 108.800 -1.156 0.000 3.019 2066 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 2066 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 2066 G C -0.507 174.254 174.900 -0.232 0.000 1.056 2066 G CA -0.068 44.363 45.100 -1.116 0.000 0.774 2066 G HN 1.151 nan 8.290 nan 0.000 0.583 2067 H N 0.131 119.051 119.070 -0.251 0.000 3.346 2067 H HA 0.422 4.979 4.556 0.000 0.000 0.253 2067 H C -0.273 175.061 175.328 0.009 0.000 1.204 2067 H CA 0.184 56.171 56.048 -0.102 0.000 0.996 2067 H CB 0.199 29.862 29.762 -0.165 0.000 2.713 2067 H HN 0.615 nan 8.280 nan 0.000 0.690 2068 E N 1.278 121.347 120.200 -0.218 0.000 2.402 2068 E HA 0.666 5.016 4.350 0.000 0.000 0.244 2068 E C -1.303 175.270 176.600 -0.045 0.000 0.945 2068 E CA -0.510 55.811 56.400 -0.132 0.000 0.774 2068 E CB 1.209 30.790 29.700 -0.199 0.000 1.296 2068 E HN 0.566 nan 8.360 nan 0.000 0.414 2069 A N 2.285 125.094 122.820 -0.018 0.000 2.564 2069 A HA 0.699 5.019 4.320 0.000 0.000 0.291 2069 A C -1.785 175.778 177.584 -0.036 0.000 1.102 2069 A CA -0.594 51.418 52.037 -0.041 0.000 0.660 2069 A CB 1.878 20.856 19.000 -0.037 0.000 1.283 2069 A HN 0.359 nan 8.150 nan 0.000 0.430 2070 V N -0.252 119.622 119.914 -0.067 0.000 2.789 2070 V HA 0.949 5.069 4.120 0.000 0.000 0.311 2070 V C 0.061 176.115 176.094 -0.068 0.000 1.073 2070 V CA 0.733 63.002 62.300 -0.051 0.000 0.921 2070 V CB 1.807 33.600 31.823 -0.050 0.000 1.009 2070 V HN 2.261 nan 8.190 nan 0.000 0.426 2071 G N 3.639 112.413 108.800 -0.044 0.000 2.619 2071 G HA2 0.637 4.597 3.960 0.000 0.000 0.305 2071 G HA3 0.637 4.597 3.960 0.000 0.000 0.305 2071 G C -1.947 172.937 174.900 -0.028 0.000 1.330 2071 G CA -0.286 44.785 45.100 -0.048 0.000 0.789 2071 G HN 1.013 nan 8.290 nan 0.000 0.487 2072 V N 0.061 119.959 119.914 -0.026 0.000 2.656 2072 V HA 0.471 4.591 4.120 0.000 0.000 0.307 2072 V C 0.177 176.279 176.094 0.015 0.000 1.051 2072 V CA -0.751 61.546 62.300 -0.005 0.000 0.893 2072 V CB 1.817 33.638 31.823 -0.003 0.000 0.999 2072 V HN 0.638 nan 8.190 nan 0.000 0.426 2073 V N 3.934 123.863 119.914 0.025 0.000 2.485 2073 V HA 0.048 4.169 4.120 0.000 0.000 0.287 2073 V C 1.396 177.527 176.094 0.062 0.000 1.022 2073 V CA 0.502 62.828 62.300 0.043 0.000 1.067 2073 V CB 0.920 32.763 31.823 0.032 0.000 0.967 2073 V HN 1.058 nan 8.190 nan 0.000 0.479 2074 E N 3.526 123.786 120.200 0.100 0.000 2.102 2074 E HA 0.002 4.353 4.350 0.000 0.000 0.190 2074 E C 0.685 177.334 176.600 0.083 0.000 0.971 2074 E CA 1.108 57.587 56.400 0.131 0.000 0.821 2074 E CB 0.715 30.569 29.700 0.256 0.000 0.777 2074 E HN 0.854 nan 8.360 nan 0.000 0.460 2075 S N -0.429 115.311 115.700 0.066 0.000 2.595 2075 S HA 0.527 4.997 4.470 0.000 0.000 0.270 2075 S C -0.513 174.102 174.600 0.025 0.000 1.145 2075 S CA -0.885 57.337 58.200 0.036 0.000 0.825 2075 S CB 0.796 64.012 63.200 0.025 0.000 1.107 2075 S HN 0.231 nan 8.310 nan 0.000 0.461 2076 I N -0.657 119.917 120.570 0.008 0.000 2.740 2076 I HA 0.947 5.117 4.170 0.000 0.000 0.303 2076 I C 0.425 176.527 176.117 -0.024 0.000 1.044 2076 I CA -1.110 60.188 61.300 -0.004 0.000 1.064 2076 I CB 1.625 39.621 38.000 -0.005 0.000 1.249 2076 I HN 0.868 nan 8.210 nan 0.000 0.433 2077 G N 1.946 110.721 108.800 -0.041 0.000 2.535 2077 G HA2 0.627 4.587 3.960 0.000 0.000 0.303 2077 G HA3 0.627 4.587 3.960 0.000 0.000 0.303 2077 G C -0.244 174.587 174.900 -0.114 0.000 1.237 2077 G CA -0.620 44.439 45.100 -0.068 0.000 0.986 2077 G HN 1.046 nan 8.290 nan 0.000 0.494 2078 A N -1.462 121.275 122.820 -0.139 0.000 2.561 2078 A HA 0.483 4.803 4.320 0.000 0.000 0.234 2078 A C 1.703 179.080 177.584 -0.344 0.000 1.055 2078 A CA 1.462 53.392 52.037 -0.178 0.000 0.756 2078 A CB -0.486 18.426 19.000 -0.147 0.000 0.986 2078 A HN 2.584 nan 8.150 nan 0.000 0.505 2079 G N 0.796 109.440 108.800 -0.260 0.000 2.304 2079 G HA2 -0.222 3.738 3.960 0.000 0.000 0.252 2079 G HA3 -0.222 3.738 3.960 0.000 0.000 0.252 2079 G C 0.397 175.222 174.900 -0.125 0.000 1.014 2079 G CA 0.207 45.134 45.100 -0.288 0.000 0.619 2079 G HN 1.546 nan 8.290 nan 0.000 0.525 2080 V N 2.082 121.925 119.914 -0.118 0.000 2.585 2080 V HA 0.449 4.569 4.120 0.000 0.000 0.296 2080 V C 1.563 177.664 176.094 0.013 0.000 1.035 2080 V CA 1.639 63.940 62.300 0.002 0.000 1.084 2080 V CB 1.198 33.017 31.823 -0.007 0.000 0.953 2080 V HN 0.925 nan 8.190 nan 0.000 0.483 2081 T N -1.355 113.220 114.554 0.036 0.000 3.028 2081 T HA -0.051 4.299 4.350 0.000 0.000 0.262 2081 T C 1.525 176.238 174.700 0.023 0.000 0.916 2081 T CA 0.587 62.702 62.100 0.025 0.000 0.873 2081 T CB -0.382 68.503 68.868 0.028 0.000 1.232 2081 T HN 0.796 nan 8.240 nan 0.000 0.529 2082 C N 2.575 121.892 119.300 0.028 0.000 2.432 2082 C HA 0.536 4.997 4.460 0.000 0.000 0.282 2082 C C 0.935 175.935 174.990 0.017 0.000 1.388 2082 C CA -0.016 59.015 59.018 0.022 0.000 1.777 2082 C CB -1.643 26.111 27.740 0.023 0.000 1.882 2082 C HN 0.647 nan 8.230 nan 0.000 0.520 2083 V N -2.055 117.869 119.914 0.017 0.000 3.206 2083 V HA 0.754 4.874 4.120 0.000 0.000 0.305 2083 V C -1.051 175.051 176.094 0.012 0.000 1.257 2083 V CA -0.834 61.474 62.300 0.014 0.000 1.057 2083 V CB 1.840 33.672 31.823 0.015 0.000 1.075 2083 V HN 0.596 nan 8.190 nan 0.000 0.443 2084 K N -0.086 120.321 120.400 0.012 0.000 2.480 2084 K HA 0.764 5.084 4.320 0.000 0.000 0.258 2084 K C -3.301 173.308 176.600 0.015 0.000 0.990 2084 K CA -2.072 54.221 56.287 0.011 0.000 0.857 2084 K CB 2.033 34.538 32.500 0.008 0.000 1.384 2084 K HN 0.436 nan 8.250 nan 0.000 0.446 2085 P HA 0.019 nan 4.420 nan 0.000 0.264 2085 P C 0.449 177.761 177.300 0.020 0.000 1.193 2085 P CA 1.478 64.592 63.100 0.023 0.000 0.763 2085 P CB 0.618 32.332 31.700 0.023 0.000 0.810 2086 G N 2.063 110.877 108.800 0.023 0.000 2.232 2086 G HA2 -0.174 3.786 3.960 0.000 0.000 0.226 2086 G HA3 -0.174 3.786 3.960 0.000 0.000 0.226 2086 G C -0.092 174.814 174.900 0.011 0.000 0.996 2086 G CA -0.409 44.701 45.100 0.017 0.000 0.626 2086 G HN 0.494 nan 8.290 nan 0.000 0.509 2087 D N 1.232 121.638 120.400 0.011 0.000 2.389 2087 D HA 0.409 5.049 4.640 0.000 0.000 0.247 2087 D C 0.545 176.848 176.300 0.004 0.000 1.128 2087 D CA 0.209 54.213 54.000 0.006 0.000 0.884 2087 D CB 1.268 42.073 40.800 0.008 0.000 1.194 2087 D HN 0.456 nan 8.370 nan 0.000 0.441 2088 K N 1.503 121.902 120.400 -0.001 0.000 2.276 2088 K HA 0.397 4.717 4.320 0.000 0.000 0.283 2088 K C -0.524 176.075 176.600 -0.002 0.000 1.044 2088 K CA -0.549 55.735 56.287 -0.005 0.000 0.944 2088 K CB 0.597 33.090 32.500 -0.010 0.000 1.012 2088 K HN 0.307 nan 8.250 nan 0.000 0.472 2089 V N 1.259 121.172 119.914 -0.002 0.000 3.181 2089 V HA 0.623 4.743 4.120 0.000 0.000 0.308 2089 V C -0.822 175.273 176.094 0.002 0.000 1.214 2089 V CA -1.091 61.210 62.300 0.003 0.000 1.053 2089 V CB 1.694 33.522 31.823 0.008 0.000 1.069 2089 V HN 0.707 nan 8.190 nan 0.000 0.441 2090 I N 2.062 122.638 120.570 0.009 0.000 2.418 2090 I HA 0.525 4.695 4.170 0.000 0.000 0.287 2090 I C -2.662 173.464 176.117 0.014 0.000 1.008 2090 I CA -2.103 59.206 61.300 0.015 0.000 1.104 2090 I CB 2.777 40.795 38.000 0.030 0.000 1.264 2090 I HN 0.505 nan 8.210 nan 0.000 0.438 2091 P HA 0.241 nan 4.420 nan 0.000 0.275 2091 P C -1.054 176.237 177.300 -0.015 0.000 1.227 2091 P CA -0.162 62.948 63.100 0.016 0.000 0.781 2091 P CB 0.566 32.292 31.700 0.044 0.000 0.906 2092 L N 3.996 125.180 121.223 -0.065 0.000 2.294 2092 L HA 0.365 4.705 4.340 0.000 0.000 0.283 2092 L C 1.192 177.951 176.870 -0.185 0.000 1.015 2092 L CA -0.615 54.094 54.840 -0.218 0.000 0.831 2092 L CB 0.552 42.473 42.059 -0.230 0.000 1.217 2092 L HN 0.442 nan 8.230 nan 0.000 0.420 2093 F N 2.373 122.193 119.950 -0.218 0.000 2.604 2093 F HA 0.161 4.688 4.527 0.000 0.000 0.298 2093 F C 0.377 176.087 175.800 -0.149 0.000 1.131 2093 F CA -0.136 57.782 58.000 -0.137 0.000 1.457 2093 F CB -0.123 38.838 39.000 -0.066 0.000 1.095 2093 F HN 0.071 nan 8.300 nan 0.000 0.574 2094 V N 4.534 124.035 119.914 -0.688 0.000 2.325 2094 V HA 0.328 4.448 4.120 0.000 0.000 0.280 2094 V C -1.937 173.972 176.094 -0.309 0.000 1.016 2094 V CA -1.988 60.037 62.300 -0.458 0.000 0.818 2094 V CB 0.973 32.464 31.823 -0.553 0.000 1.019 2094 V HN -0.008 nan 8.190 nan 0.000 0.434 2095 P HA 0.202 nan 4.420 nan 0.000 0.275 2095 P C -0.916 176.325 177.300 -0.099 0.000 1.266 2095 P CA -0.481 62.541 63.100 -0.129 0.000 0.793 2095 P CB 1.250 32.888 31.700 -0.103 0.000 1.074 2096 Q N -0.116 119.644 119.800 -0.067 0.000 2.695 2096 Q HA 0.250 4.590 4.340 0.000 0.000 0.246 2096 Q C 0.830 176.805 176.000 -0.042 0.000 0.961 2096 Q CA -0.518 55.260 55.803 -0.042 0.000 0.708 2096 Q CB 0.120 28.851 28.738 -0.012 0.000 1.282 2096 Q HN 0.603 nan 8.270 nan 0.000 0.482 2097 C N 0.876 120.144 119.300 -0.054 0.000 2.450 2097 C HA 0.350 4.810 4.460 0.000 0.000 0.279 2097 C C 1.651 176.616 174.990 -0.042 0.000 1.335 2097 C CA 0.934 59.919 59.018 -0.055 0.000 1.749 2097 C CB -0.969 26.731 27.740 -0.067 0.000 1.963 2097 C HN 1.052 nan 8.230 nan 0.000 0.501 2098 G N 0.545 109.327 108.800 -0.031 0.000 2.176 2098 G HA2 -0.264 3.696 3.960 0.000 0.000 0.253 2098 G HA3 -0.264 3.696 3.960 0.000 0.000 0.253 2098 G C 0.874 175.762 174.900 -0.021 0.000 0.979 2098 G CA 1.097 46.185 45.100 -0.020 0.000 0.641 2098 G HN 1.549 nan 8.290 nan 0.000 0.530 2099 S N -1.527 114.156 115.700 -0.028 0.000 2.687 2099 S HA 0.366 4.836 4.470 0.000 0.000 0.247 2099 S C 1.403 175.988 174.600 -0.025 0.000 1.050 2099 S CA 0.913 59.097 58.200 -0.025 0.000 1.063 2099 S CB -0.525 62.657 63.200 -0.031 0.000 1.039 2099 S HN 1.704 nan 8.310 nan 0.000 0.580 2100 C N 1.486 120.768 119.300 -0.030 0.000 2.470 2100 C HA 0.618 5.078 4.460 0.000 0.000 0.350 2100 C C 2.086 177.068 174.990 -0.014 0.000 1.341 2100 C CA -0.575 58.426 59.018 -0.028 0.000 2.440 2100 C CB 0.463 28.176 27.740 -0.045 0.000 2.295 2100 C HN 0.630 nan 8.230 nan 0.000 0.645 2101 R N 0.685 121.181 120.500 -0.007 0.000 2.083 2101 R HA -0.106 4.234 4.340 0.000 0.000 0.237 2101 R C 2.189 178.497 176.300 0.014 0.000 1.137 2101 R CA 2.143 58.246 56.100 0.005 0.000 0.951 2101 R CB -0.804 29.503 30.300 0.012 0.000 0.851 2101 R HN 0.925 nan 8.270 nan 0.000 0.434 2102 A N 0.235 123.066 122.820 0.018 0.000 1.902 2102 A HA -0.173 4.147 4.320 0.000 0.000 0.217 2102 A C 2.469 180.068 177.584 0.025 0.000 1.181 2102 A CA 1.576 53.634 52.037 0.036 0.000 0.623 2102 A CB -0.879 18.151 19.000 0.050 0.000 0.818 2102 A HN 0.602 nan 8.150 nan 0.000 0.443 2103 C N -0.763 118.540 119.300 0.005 0.000 2.435 2103 C HA -0.008 4.453 4.460 0.000 0.000 0.279 2103 C C 2.660 177.655 174.990 0.009 0.000 1.321 2103 C CA 1.183 60.203 59.018 0.005 0.000 1.752 2103 C CB -0.978 26.755 27.740 -0.012 0.000 1.959 2103 C HN 0.605 nan 8.230 nan 0.000 0.500 2104 K N 0.369 120.772 120.400 0.006 0.000 2.155 2104 K HA -0.031 4.289 4.320 0.000 0.000 0.203 2104 K C 1.147 177.754 176.600 0.011 0.000 1.052 2104 K CA 0.438 56.729 56.287 0.007 0.000 0.948 2104 K CB -0.102 32.400 32.500 0.003 0.000 0.728 2104 K HN 0.328 nan 8.250 nan 0.000 0.448 2105 S N 0.440 116.149 115.700 0.016 0.000 2.576 2105 S HA 0.028 4.498 4.470 0.000 0.000 0.276 2105 S C 1.043 175.655 174.600 0.020 0.000 1.339 2105 S CA -0.473 57.738 58.200 0.018 0.000 1.039 2105 S CB 1.002 64.215 63.200 0.023 0.000 0.902 2105 S HN 0.307 nan 8.310 nan 0.000 0.516 2106 S N 2.152 117.861 115.700 0.015 0.000 2.535 2106 S HA 0.042 4.512 4.470 0.000 0.000 0.214 2106 S C 0.749 175.354 174.600 0.009 0.000 0.980 2106 S CA 0.252 58.461 58.200 0.014 0.000 0.907 2106 S CB -0.687 62.519 63.200 0.011 0.000 0.790 2106 S HN 0.903 nan 8.310 nan 0.000 0.510 2107 N N 0.167 118.873 118.700 0.009 0.000 2.275 2107 N HA 0.255 4.995 4.740 0.000 0.000 0.236 2107 N C -0.302 175.214 175.510 0.011 0.000 1.154 2107 N CA -0.343 52.708 53.050 0.001 0.000 0.866 2107 N CB 0.712 39.198 38.487 -0.002 0.000 1.093 2107 N HN 0.168 nan 8.380 nan 0.000 0.515 2108 S N 0.741 116.459 115.700 0.030 0.000 2.541 2108 S HA 0.253 4.723 4.470 0.000 0.000 0.271 2108 S C -0.906 173.741 174.600 0.079 0.000 1.133 2108 S CA -0.752 57.483 58.200 0.058 0.000 0.876 2108 S CB 1.209 64.454 63.200 0.074 0.000 1.105 2108 S HN 0.446 nan 8.310 nan 0.000 0.470 2109 N N 1.994 120.766 118.700 0.120 0.000 2.143 2109 N HA 0.100 4.840 4.740 0.000 0.000 0.222 2109 N C -0.342 175.276 175.510 0.180 0.000 1.264 2109 N CA -0.197 52.934 53.050 0.135 0.000 0.897 2109 N CB -0.169 38.411 38.487 0.156 0.000 1.092 2109 N HN 0.424 nan 8.380 nan 0.000 0.516 2110 F N 3.125 123.088 119.950 0.022 0.000 2.662 2110 F HA 0.239 4.766 4.527 0.000 0.000 0.365 2110 F C 0.603 176.406 175.800 0.005 0.000 1.222 2110 F CA -1.549 56.461 58.000 0.016 0.000 1.315 2110 F CB -0.887 38.126 39.000 0.022 0.000 1.711 2110 F HN 0.112 nan 8.300 nan 0.000 0.651 2111 C N 3.963 123.156 119.300 -0.178 0.000 2.523 2111 C HA -0.059 4.401 4.460 0.000 0.000 0.406 2111 C C 1.875 176.636 174.990 -0.382 0.000 1.449 2111 C CA -0.076 58.816 59.018 -0.210 0.000 1.588 2111 C CB -0.563 27.088 27.740 -0.148 0.000 2.514 2111 C HN 0.870 nan 8.230 nan 0.000 0.606 2112 E N 2.031 122.073 120.200 -0.263 0.000 2.510 2112 E HA -0.124 4.226 4.350 0.000 0.000 0.202 2112 E C 1.254 177.723 176.600 -0.217 0.000 1.072 2112 E CA 0.860 57.107 56.400 -0.255 0.000 0.883 2112 E CB 0.118 29.741 29.700 -0.128 0.000 0.818 2112 E HN 0.687 nan 8.360 nan 0.000 0.548 2113 K N 1.704 121.985 120.400 -0.198 0.000 2.446 2113 K HA 0.049 4.369 4.320 0.000 0.000 0.203 2113 K C 0.213 176.720 176.600 -0.155 0.000 1.027 2113 K CA -0.240 55.960 56.287 -0.146 0.000 1.166 2113 K CB -0.020 32.414 32.500 -0.109 0.000 0.869 2113 K HN 0.212 nan 8.250 nan 0.000 0.504 2114 N N 0.447 119.007 118.700 -0.234 0.000 2.467 2114 N HA -0.046 4.694 4.740 0.000 0.000 0.262 2114 N C -0.222 175.226 175.510 -0.103 0.000 1.234 2114 N CA 0.109 53.050 53.050 -0.182 0.000 0.952 2114 N CB 1.358 39.675 38.487 -0.284 0.000 1.158 2114 N HN -0.132 nan 8.380 nan 0.000 0.463 2115 D N 0.406 120.783 120.400 -0.038 0.000 2.402 2115 D HA 0.197 4.837 4.640 0.000 0.000 0.216 2115 D C 1.303 177.607 176.300 0.007 0.000 1.128 2115 D CA -0.046 53.943 54.000 -0.020 0.000 0.833 2115 D CB 0.049 40.838 40.800 -0.018 0.000 0.971 2115 D HN 0.509 nan 8.370 nan 0.000 0.503 2116 M N -0.933 118.699 119.600 0.052 0.000 2.296 2116 M HA 0.089 4.569 4.480 0.000 0.000 0.265 2116 M C 1.910 178.265 176.300 0.092 0.000 1.064 2116 M CA 1.325 56.683 55.300 0.096 0.000 1.109 2116 M CB 0.206 32.939 32.600 0.221 0.000 1.396 2116 M HN 0.154 nan 8.290 nan 0.000 0.430 2117 G N -0.398 108.457 108.800 0.091 0.000 2.471 2117 G HA2 0.070 4.030 3.960 0.000 0.000 0.211 2117 G HA3 0.070 4.030 3.960 0.000 0.000 0.211 2117 G C 1.577 176.496 174.900 0.031 0.000 1.194 2117 G CA 0.601 45.749 45.100 0.079 0.000 0.816 2117 G HN 0.467 nan 8.290 nan 0.000 0.545 2118 A N -0.273 122.553 122.820 0.010 0.000 1.930 2118 A HA 0.174 4.494 4.320 0.000 0.000 0.217 2118 A C 1.527 179.100 177.584 -0.020 0.000 1.175 2118 A CA 1.652 53.686 52.037 -0.005 0.000 0.627 2118 A CB -0.208 18.786 19.000 -0.010 0.000 0.815 2118 A HN 0.184 nan 8.150 nan 0.000 0.443 2119 K N -0.438 119.947 120.400 -0.026 0.000 3.096 2119 K HA -0.159 4.161 4.320 0.000 0.000 0.266 2119 K C 0.988 177.542 176.600 -0.076 0.000 1.043 2119 K CA 1.132 57.386 56.287 -0.055 0.000 0.758 2119 K CB -2.625 29.836 32.500 -0.064 0.000 1.260 2119 K HN 0.901 nan 8.250 nan 0.000 0.481 2120 T N -3.634 110.894 114.554 -0.043 0.000 2.867 2120 T HA 0.012 4.362 4.350 0.000 0.000 0.268 2120 T C 1.562 176.260 174.700 -0.003 0.000 1.057 2120 T CA 1.505 63.591 62.100 -0.024 0.000 1.136 2120 T CB -0.036 68.838 68.868 0.011 0.000 0.874 2120 T HN 0.863 nan 8.240 nan 0.000 0.466 2121 G N 1.183 109.986 108.800 0.005 0.000 2.168 2121 G HA2 -0.202 3.758 3.960 0.000 0.000 0.257 2121 G HA3 -0.202 3.758 3.960 0.000 0.000 0.257 2121 G C -0.104 174.923 174.900 0.212 0.000 0.997 2121 G CA 0.691 45.844 45.100 0.088 0.000 0.708 2121 G HN 0.701 nan 8.290 nan 0.000 0.520 2122 L N -1.023 120.271 121.223 0.118 0.000 2.303 2122 L HA 0.703 5.043 4.340 0.000 0.000 0.256 2122 L C 0.857 177.730 176.870 0.006 0.000 1.034 2122 L CA -1.757 53.126 54.840 0.070 0.000 0.832 2122 L CB 1.157 43.269 42.059 0.088 0.000 1.403 2122 L HN -0.067 nan 8.230 nan 0.000 0.419 2123 M N 0.307 119.888 119.600 -0.032 0.000 2.043 2123 M HA 0.150 4.630 4.480 0.000 0.000 0.272 2123 M C 1.362 177.649 176.300 -0.022 0.000 1.279 2123 M CA 0.304 55.579 55.300 -0.042 0.000 1.109 2123 M CB -0.170 32.391 32.600 -0.066 0.000 1.377 2123 M HN 0.831 nan 8.290 nan 0.000 0.469 2124 A N 0.717 123.524 122.820 -0.022 0.000 1.940 2124 A HA -0.170 4.150 4.320 0.000 0.000 0.219 2124 A C 1.188 178.766 177.584 -0.010 0.000 1.176 2124 A CA 2.062 54.089 52.037 -0.016 0.000 0.631 2124 A CB -0.962 18.029 19.000 -0.015 0.000 0.814 2124 A HN 0.862 nan 8.150 nan 0.000 0.446 2125 D N -1.834 118.560 120.400 -0.011 0.000 2.323 2125 D HA 0.054 4.694 4.640 0.000 0.000 0.239 2125 D C 0.548 176.845 176.300 -0.005 0.000 1.129 2125 D CA 0.166 54.162 54.000 -0.007 0.000 0.865 2125 D CB -0.261 40.534 40.800 -0.008 0.000 0.913 2125 D HN 0.213 nan 8.370 nan 0.000 0.517 2126 M N -0.099 119.500 119.600 -0.001 0.000 2.751 2126 M HA -0.163 4.317 4.480 0.000 0.000 0.199 2126 M C -0.215 176.089 176.300 0.006 0.000 0.550 2126 M CA 0.960 56.267 55.300 0.012 0.000 0.640 2126 M CB -3.148 29.462 32.600 0.018 0.000 2.351 2126 M HN 0.453 nan 8.290 nan 0.000 0.613 2127 T N -3.798 110.746 114.554 -0.017 0.000 2.926 2127 T HA 0.755 5.105 4.350 0.000 0.000 0.289 2127 T C 0.042 174.701 174.700 -0.068 0.000 1.054 2127 T CA -0.255 61.823 62.100 -0.036 0.000 1.015 2127 T CB 2.964 71.809 68.868 -0.039 0.000 1.167 2127 T HN 0.212 nan 8.240 nan 0.000 0.526 2128 S N -0.815 114.827 115.700 -0.097 0.000 2.593 2128 S HA 0.480 4.950 4.470 0.000 0.000 0.297 2128 S C 0.724 175.223 174.600 -0.169 0.000 1.112 2128 S CA -0.933 57.179 58.200 -0.146 0.000 1.043 2128 S CB 0.963 64.069 63.200 -0.156 0.000 1.054 2128 S HN 0.660 nan 8.310 nan 0.000 0.516 2129 R N 1.985 122.300 120.500 -0.310 0.000 2.290 2129 R HA 0.229 4.570 4.340 0.000 0.000 0.197 2129 R C -0.496 175.682 176.300 -0.203 0.000 0.913 2129 R CA 0.289 56.204 56.100 -0.307 0.000 1.040 2129 R CB -0.205 29.827 30.300 -0.447 0.000 0.992 2129 R HN 0.595 nan 8.270 nan 0.000 0.500 2130 F N 0.922 120.845 119.950 -0.045 0.000 2.408 2130 F HA 0.309 4.836 4.527 0.000 0.000 0.344 2130 F C 0.429 176.193 175.800 -0.061 0.000 1.112 2130 F CA -0.524 57.447 58.000 -0.048 0.000 1.096 2130 F CB 1.766 40.728 39.000 -0.062 0.000 1.129 2130 F HN -0.325 nan 8.300 nan 0.000 0.486 2131 T N 2.373 117.027 114.554 0.166 0.000 2.921 2131 T HA 0.396 4.746 4.350 0.000 0.000 0.297 2131 T C -1.601 173.149 174.700 0.083 0.000 1.013 2131 T CA -0.619 61.532 62.100 0.086 0.000 0.990 2131 T CB 1.603 70.507 68.868 0.060 0.000 1.023 2131 T HN 0.734 nan 8.240 nan 0.000 0.447 2132 C N 4.637 123.997 119.300 0.100 0.000 2.607 2132 C HA 0.578 5.038 4.460 0.000 0.000 0.350 2132 C C 0.264 175.386 174.990 0.221 0.000 1.101 2132 C CA -0.550 58.559 59.018 0.152 0.000 1.282 2132 C CB -0.379 27.453 27.740 0.154 0.000 1.825 2132 C HN 1.093 nan 8.230 nan 0.000 0.460 2133 R N 4.180 124.773 120.500 0.155 0.000 3.333 2133 R HA -0.180 4.160 4.340 0.000 0.000 0.256 2133 R C 1.151 177.508 176.300 0.096 0.000 1.010 2133 R CA 1.001 57.170 56.100 0.114 0.000 0.680 2133 R CB -1.944 28.424 30.300 0.114 0.000 1.102 2133 R HN 2.057 nan 8.270 nan 0.000 0.440 2134 G N -0.382 108.465 108.800 0.078 0.000 2.196 2134 G HA2 -0.389 3.571 3.960 0.000 0.000 0.268 2134 G HA3 -0.389 3.571 3.960 0.000 0.000 0.268 2134 G C 0.071 175.012 174.900 0.068 0.000 0.975 2134 G CA 1.135 46.270 45.100 0.059 0.000 0.648 2134 G HN 0.428 nan 8.290 nan 0.000 0.538 2135 K N 0.692 121.156 120.400 0.107 0.000 2.221 2135 K HA 0.479 4.799 4.320 0.000 0.000 0.258 2135 K C -2.773 173.859 176.600 0.053 0.000 0.944 2135 K CA -2.134 54.217 56.287 0.106 0.000 0.823 2135 K CB 2.186 34.812 32.500 0.210 0.000 1.113 2135 K HN -0.053 nan 8.250 nan 0.000 0.431 2136 P HA 0.125 nan 4.420 nan 0.000 0.276 2136 P C -0.740 176.451 177.300 -0.181 0.000 1.230 2136 P CA -0.137 62.903 63.100 -0.100 0.000 0.776 2136 P CB 0.523 32.124 31.700 -0.165 0.000 0.888 2137 I N 3.672 124.165 120.570 -0.127 0.000 2.404 2137 I HA 0.281 4.451 4.170 0.000 0.000 0.293 2137 I C 0.212 176.272 176.117 -0.094 0.000 0.992 2137 I CA -1.108 60.112 61.300 -0.133 0.000 1.149 2137 I CB 0.561 38.513 38.000 -0.079 0.000 1.315 2137 I HN 0.361 nan 8.210 nan 0.000 0.446 2138 Y N 4.640 124.956 120.300 0.027 0.000 2.336 2138 Y HA 0.114 4.664 4.550 0.000 0.000 0.331 2138 Y C 0.999 176.940 175.900 0.069 0.000 1.211 2138 Y CA -0.169 57.943 58.100 0.021 0.000 1.346 2138 Y CB 0.647 39.072 38.460 -0.058 0.000 1.271 2138 Y HN 0.631 nan 8.280 nan 0.000 0.538 2139 N N 1.160 120.011 118.700 0.251 0.000 2.478 2139 N HA 0.488 5.228 4.740 0.000 0.000 0.275 2139 N C -1.852 173.700 175.510 0.070 0.000 1.221 2139 N CA -0.901 52.282 53.050 0.221 0.000 0.979 2139 N CB 0.866 39.476 38.487 0.205 0.000 1.202 2139 N HN 0.496 nan 8.380 nan 0.000 0.564 2140 L N 0.204 121.440 121.223 0.022 0.000 2.298 2140 L HA 0.459 4.799 4.340 0.000 0.000 0.284 2140 L C -0.208 176.628 176.870 -0.055 0.000 1.013 2140 L CA -0.221 54.575 54.840 -0.073 0.000 0.824 2140 L CB 0.273 42.242 42.059 -0.150 0.000 1.221 2140 L HN 0.739 nan 8.230 nan 0.000 0.418 2141 M N 5.100 124.663 119.600 -0.061 0.000 2.253 2141 M HA -0.248 4.232 4.480 0.000 0.000 0.199 2141 M C 1.197 177.512 176.300 0.025 0.000 0.342 2141 M CA 1.105 56.395 55.300 -0.016 0.000 0.417 2141 M CB -2.134 30.453 32.600 -0.022 0.000 1.338 2141 M HN 1.058 nan 8.290 nan 0.000 0.920 2142 G N -1.054 107.755 108.800 0.016 0.000 2.166 2142 G HA2 -0.387 3.573 3.960 0.000 0.000 0.260 2142 G HA3 -0.387 3.573 3.960 0.000 0.000 0.260 2142 G C 0.470 175.393 174.900 0.039 0.000 0.986 2142 G CA 1.728 46.838 45.100 0.016 0.000 0.683 2142 G HN 0.845 nan 8.290 nan 0.000 0.527 2143 T N -4.397 110.196 114.554 0.065 0.000 3.479 2143 T HA 0.577 4.927 4.350 0.000 0.000 0.197 2143 T C 0.805 175.587 174.700 0.138 0.000 0.912 2143 T CA 1.062 63.218 62.100 0.094 0.000 1.281 2143 T CB 0.415 69.349 68.868 0.110 0.000 1.588 2143 T HN 1.577 nan 8.240 nan 0.000 0.389 2144 S N 1.164 116.914 115.700 0.083 0.000 3.131 2144 S HA -0.044 4.427 4.470 0.000 0.000 0.767 2144 S C 0.524 175.167 174.600 0.072 0.000 0.744 2144 S CA 0.442 58.672 58.200 0.050 0.000 1.466 2144 S CB -1.290 62.032 63.200 0.203 0.000 1.035 2144 S HN 1.286 nan 8.310 nan 0.000 0.730 2145 T N -0.907 113.640 114.554 -0.012 0.000 3.003 2145 T HA 0.332 4.682 4.350 0.000 0.000 0.261 2145 T C 0.461 175.393 174.700 0.386 0.000 1.003 2145 T CA -0.202 61.980 62.100 0.136 0.000 0.917 2145 T CB -0.080 68.843 68.868 0.092 0.000 1.084 2145 T HN 0.584 nan 8.240 nan 0.000 0.522 2146 F N 3.086 123.105 119.950 0.115 0.000 2.783 2146 F HA 0.406 4.933 4.527 0.000 0.000 0.338 2146 F C 0.918 176.708 175.800 -0.017 0.000 1.178 2146 F CA -0.518 57.549 58.000 0.111 0.000 1.343 2146 F CB -0.084 38.958 39.000 0.069 0.000 1.496 2146 F HN 0.190 nan 8.300 nan 0.000 0.583 2147 T N -1.485 113.190 114.554 0.201 0.000 2.942 2147 T HA 0.119 4.469 4.350 0.000 0.000 0.327 2147 T C 0.583 175.332 174.700 0.082 0.000 1.360 2147 T CA -0.519 61.584 62.100 0.006 0.000 1.055 2147 T CB 1.590 70.396 68.868 -0.103 0.000 1.261 2147 T HN 0.352 nan 8.240 nan 0.000 0.485 2148 E N 1.319 121.499 120.200 -0.033 0.000 2.204 2148 E HA 0.004 4.355 4.350 0.000 0.000 0.195 2148 E C -0.569 175.997 176.600 -0.057 0.000 0.990 2148 E CA 1.167 57.573 56.400 0.009 0.000 0.821 2148 E CB 0.150 29.877 29.700 0.045 0.000 0.750 2148 E HN 0.524 nan 8.360 nan 0.000 0.477 2149 Y N -1.430 118.946 120.300 0.126 0.000 2.492 2149 Y HA 0.384 4.935 4.550 0.000 0.000 0.346 2149 Y C 0.002 176.048 175.900 0.243 0.000 0.997 2149 Y CA -0.710 57.486 58.100 0.159 0.000 1.025 2149 Y CB 2.527 41.064 38.460 0.128 0.000 1.263 2149 Y HN -0.318 nan 8.280 nan 0.000 0.454 2150 T N 1.363 116.144 114.554 0.379 0.000 2.864 2150 T HA 0.789 5.139 4.350 0.000 0.000 0.299 2150 T C -2.029 172.800 174.700 0.214 0.000 1.166 2150 T CA -0.548 61.801 62.100 0.415 0.000 1.007 2150 T CB 1.232 70.318 68.868 0.363 0.000 1.219 2150 T HN 0.340 nan 8.240 nan 0.000 0.506 2151 V N 3.221 123.176 119.914 0.068 0.000 2.531 2151 V HA 0.787 4.907 4.120 0.000 0.000 0.301 2151 V C -0.131 175.941 176.094 -0.037 0.000 1.034 2151 V CA -0.659 61.627 62.300 -0.023 0.000 0.865 2151 V CB 1.301 33.047 31.823 -0.128 0.000 0.995 2151 V HN 0.886 nan 8.190 nan 0.000 0.424 2152 V N 1.673 121.585 119.914 -0.004 0.000 3.040 2152 V HA 1.023 5.143 4.120 0.000 0.000 0.312 2152 V C 0.217 176.309 176.094 -0.004 0.000 1.115 2152 V CA -0.889 61.409 62.300 -0.004 0.000 0.998 2152 V CB 1.832 33.666 31.823 0.017 0.000 1.042 2152 V HN 1.183 nan 8.190 nan 0.000 0.433 2153 A N 1.834 124.650 122.820 -0.007 0.000 2.445 2153 A HA 0.369 4.689 4.320 0.000 0.000 0.242 2153 A C 1.098 178.690 177.584 0.013 0.000 1.075 2153 A CA 0.460 52.500 52.037 0.004 0.000 0.777 2153 A CB 0.005 18.999 19.000 -0.010 0.000 1.013 2153 A HN 1.291 nan 8.150 nan 0.000 0.493 2154 D N 1.095 121.517 120.400 0.037 0.000 2.350 2154 D HA -0.182 4.458 4.640 0.000 0.000 0.216 2154 D C 1.070 177.379 176.300 0.015 0.000 0.968 2154 D CA 1.421 55.444 54.000 0.039 0.000 0.894 2154 D CB -0.477 40.372 40.800 0.081 0.000 0.909 2154 D HN 0.667 nan 8.370 nan 0.000 0.520 2155 I N -3.727 116.840 120.570 -0.005 0.000 3.793 2155 I HA 0.404 4.574 4.170 0.000 0.000 0.315 2155 I C 1.244 177.341 176.117 -0.033 0.000 1.275 2155 I CA -0.075 61.211 61.300 -0.024 0.000 1.214 2155 I CB 0.144 38.117 38.000 -0.044 0.000 1.018 2155 I HN -0.006 nan 8.210 nan 0.000 0.439 2156 A N 1.644 124.447 122.820 -0.027 0.000 2.676 2156 A HA 0.605 4.925 4.320 0.000 0.000 0.297 2156 A C 0.272 177.840 177.584 -0.027 0.000 1.132 2156 A CA -0.133 51.879 52.037 -0.042 0.000 0.972 2156 A CB -0.178 18.798 19.000 -0.039 0.000 1.197 2156 A HN 0.266 nan 8.150 nan 0.000 0.524 2157 V N -3.165 116.741 119.914 -0.013 0.000 2.656 2157 V HA 0.924 5.044 4.120 0.000 0.000 0.307 2157 V C -0.268 175.827 176.094 0.002 0.000 1.051 2157 V CA -0.676 61.623 62.300 -0.002 0.000 0.893 2157 V CB 1.263 33.091 31.823 0.009 0.000 0.999 2157 V HN 0.745 nan 8.190 nan 0.000 0.426 2158 A N 3.647 126.471 122.820 0.007 0.000 2.311 2158 A HA 0.663 4.983 4.320 0.000 0.000 0.306 2158 A C -0.171 177.420 177.584 0.011 0.000 1.189 2158 A CA -0.766 51.279 52.037 0.014 0.000 0.791 2158 A CB 1.020 20.036 19.000 0.028 0.000 1.172 2158 A HN 0.993 nan 8.150 nan 0.000 0.481 2159 K N 3.255 123.661 120.400 0.010 0.000 2.298 2159 K HA 0.541 4.861 4.320 0.000 0.000 0.280 2159 K C -0.311 176.290 176.600 0.002 0.000 1.032 2159 K CA -0.110 56.180 56.287 0.006 0.000 0.958 2159 K CB 0.297 32.800 32.500 0.006 0.000 0.978 2159 K HN 0.761 nan 8.250 nan 0.000 0.472 2160 I N -1.030 119.539 120.570 -0.001 0.000 3.322 2160 I HA 0.364 4.534 4.170 0.000 0.000 0.313 2160 I C -0.434 175.676 176.117 -0.011 0.000 1.129 2160 I CA -1.218 60.078 61.300 -0.007 0.000 0.963 2160 I CB 1.409 39.406 38.000 -0.006 0.000 1.273 2160 I HN 0.484 nan 8.210 nan 0.000 0.473 2161 D N 2.488 122.877 120.400 -0.018 0.000 2.531 2161 D HA 0.064 4.705 4.640 0.000 0.000 0.239 2161 D C -1.741 174.544 176.300 -0.025 0.000 1.144 2161 D CA -0.968 53.016 54.000 -0.026 0.000 0.869 2161 D CB 1.507 42.284 40.800 -0.040 0.000 1.160 2161 D HN 0.308 nan 8.370 nan 0.000 0.484 2162 P HA -0.137 nan 4.420 nan 0.000 0.217 2162 P C 0.594 177.878 177.300 -0.026 0.000 1.148 2162 P CA 1.474 64.562 63.100 -0.020 0.000 0.828 2162 P CB 0.233 31.923 31.700 -0.017 0.000 0.783 2163 K N -1.174 119.203 120.400 -0.037 0.000 2.404 2163 K HA 0.279 4.600 4.320 0.000 0.000 0.194 2163 K C 0.677 177.241 176.600 -0.060 0.000 1.023 2163 K CA -0.319 55.940 56.287 -0.047 0.000 1.094 2163 K CB 0.092 32.559 32.500 -0.055 0.000 0.841 2163 K HN 0.048 nan 8.250 nan 0.000 0.523 2164 A N 3.276 126.065 122.820 -0.052 0.000 2.587 2164 A HA 0.068 4.388 4.320 0.000 0.000 0.235 2164 A C -2.256 175.311 177.584 -0.028 0.000 1.044 2164 A CA -0.725 51.284 52.037 -0.047 0.000 0.754 2164 A CB -0.277 18.718 19.000 -0.008 0.000 0.968 2164 A HN -0.008 nan 8.150 nan 0.000 0.509 2165 P HA 0.162 nan 4.420 nan 0.000 0.272 2165 P C 0.792 178.119 177.300 0.046 0.000 1.230 2165 P CA -0.417 62.692 63.100 0.016 0.000 0.788 2165 P CB 0.443 32.164 31.700 0.036 0.000 0.949 2166 L N 0.961 122.190 121.223 0.010 0.000 2.191 2166 L HA -0.176 4.164 4.340 0.000 0.000 0.212 2166 L C 1.614 178.468 176.870 -0.027 0.000 1.103 2166 L CA 1.580 56.408 54.840 -0.021 0.000 0.769 2166 L CB -0.679 41.356 42.059 -0.040 0.000 0.908 2166 L HN 0.414 nan 8.230 nan 0.000 0.438 2167 E N -0.806 119.396 120.200 0.003 0.000 2.472 2167 E HA -0.145 4.205 4.350 0.000 0.000 0.200 2167 E C 2.123 178.639 176.600 -0.140 0.000 1.046 2167 E CA 0.492 56.859 56.400 -0.055 0.000 0.871 2167 E CB -0.092 29.590 29.700 -0.030 0.000 0.806 2167 E HN 0.152 nan 8.360 nan 0.000 0.533 2168 S N -0.030 115.639 115.700 -0.050 0.000 2.500 2168 S HA -0.151 4.319 4.470 0.000 0.000 0.239 2168 S C 1.916 176.448 174.600 -0.112 0.000 0.989 2168 S CA 1.053 59.192 58.200 -0.102 0.000 0.951 2168 S CB -0.590 62.646 63.200 0.060 0.000 0.759 2168 S HN 0.706 nan 8.310 nan 0.000 0.523 2169 C N 0.383 119.630 119.300 -0.089 0.000 2.419 2169 C HA 0.091 4.552 4.460 0.000 0.000 0.283 2169 C C 2.205 177.165 174.990 -0.049 0.000 1.373 2169 C CA -0.003 58.976 59.018 -0.065 0.000 1.781 2169 C CB -1.877 25.816 27.740 -0.078 0.000 1.886 2169 C HN 0.552 nan 8.230 nan 0.000 0.520 2170 L N 0.623 121.795 121.223 -0.086 0.000 2.275 2170 L HA -0.000 4.340 4.340 0.000 0.000 0.215 2170 L C 2.636 179.536 176.870 0.049 0.000 1.119 2170 L CA 1.251 56.071 54.840 -0.033 0.000 0.790 2170 L CB -0.560 41.453 42.059 -0.078 0.000 0.919 2170 L HN 0.323 nan 8.230 nan 0.000 0.443 2171 I N 0.240 120.798 120.570 -0.019 0.000 2.756 2171 I HA -0.139 4.031 4.170 0.000 0.000 0.262 2171 I C 2.376 178.614 176.117 0.201 0.000 1.225 2171 I CA 0.908 62.239 61.300 0.051 0.000 1.472 2171 I CB -0.505 37.446 38.000 -0.080 0.000 1.094 2171 I HN 0.242 nan 8.210 nan 0.000 0.454 2172 G N -0.821 108.092 108.800 0.188 0.000 2.598 2172 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 2172 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 2172 G C 1.093 176.276 174.900 0.471 0.000 1.131 2172 G CA 0.888 46.151 45.100 0.273 0.000 0.785 2172 G HN 0.507 nan 8.290 nan 0.000 0.539 2173 C N -2.892 116.676 119.300 0.448 0.000 3.322 2173 C HA 0.384 4.844 4.460 0.000 0.000 0.233 2173 C C 2.859 178.073 174.990 0.374 0.000 2.488 2173 C CA 1.455 60.800 59.018 0.546 0.000 1.184 2173 C CB -0.590 27.298 27.740 0.246 0.000 1.410 2173 C HN 0.368 nan 8.230 nan 0.000 0.670 2174 G N 0.503 109.430 108.800 0.212 0.000 2.529 2174 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 2174 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 2174 G C 1.320 176.342 174.900 0.202 0.000 1.177 2174 G CA 1.758 46.965 45.100 0.180 0.000 0.773 2174 G HN 0.612 nan 8.290 nan 0.000 0.573 2175 F N 2.129 122.118 119.950 0.064 0.000 2.128 2175 F HA 0.239 4.766 4.527 0.000 0.000 0.295 2175 F C 2.841 178.687 175.800 0.076 0.000 1.100 2175 F CA 1.255 59.279 58.000 0.040 0.000 1.260 2175 F CB -0.268 38.683 39.000 -0.082 0.000 1.009 2175 F HN 0.228 nan 8.300 nan 0.000 0.476 2176 A N -0.537 122.354 122.820 0.118 0.000 1.933 2176 A HA -0.165 4.156 4.320 0.000 0.000 0.218 2176 A C 2.161 179.788 177.584 0.072 0.000 1.175 2176 A CA 2.272 54.283 52.037 -0.044 0.000 0.628 2176 A CB -1.385 17.334 19.000 -0.469 0.000 0.814 2176 A HN 0.438 nan 8.150 nan 0.000 0.444 2177 T N -0.414 114.211 114.554 0.118 0.000 2.701 2177 T HA -0.017 4.333 4.350 0.000 0.000 0.263 2177 T C 2.003 176.739 174.700 0.060 0.000 1.040 2177 T CA 1.548 63.737 62.100 0.148 0.000 1.147 2177 T CB -0.689 68.328 68.868 0.247 0.000 0.865 2177 T HN 0.561 nan 8.240 nan 0.000 0.426 2178 G N -0.342 108.474 108.800 0.026 0.000 2.404 2178 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 2178 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 2178 G C 1.417 176.260 174.900 -0.096 0.000 1.174 2178 G CA 0.569 45.657 45.100 -0.019 0.000 0.780 2178 G HN 0.513 nan 8.290 nan 0.000 0.537 2179 Y N 1.856 121.940 120.300 -0.361 0.000 2.165 2179 Y HA -0.061 4.489 4.550 0.000 0.000 0.286 2179 Y C 2.771 178.573 175.900 -0.163 0.000 1.155 2179 Y CA 1.814 59.677 58.100 -0.394 0.000 1.164 2179 Y CB -0.349 37.605 38.460 -0.843 0.000 0.978 2179 Y HN 0.138 nan 8.280 nan 0.000 0.513 2180 G N -0.692 108.158 108.800 0.082 0.000 2.421 2180 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 2180 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 2180 G C 1.786 176.516 174.900 -0.283 0.000 1.143 2180 G CA 0.654 45.625 45.100 -0.215 0.000 0.784 2180 G HN 0.580 nan 8.290 nan 0.000 0.541 2181 A N 1.126 123.847 122.820 -0.165 0.000 1.940 2181 A HA 0.245 4.565 4.320 0.000 0.000 0.219 2181 A C 2.740 180.216 177.584 -0.180 0.000 1.176 2181 A CA 2.297 54.253 52.037 -0.135 0.000 0.631 2181 A CB -0.604 18.360 19.000 -0.062 0.000 0.814 2181 A HN 0.677 nan 8.150 nan 0.000 0.446 2182 A N -1.135 121.544 122.820 -0.235 0.000 1.903 2182 A HA 0.172 4.492 4.320 0.000 0.000 0.213 2182 A C 2.172 179.543 177.584 -0.354 0.000 1.185 2182 A CA 1.470 53.337 52.037 -0.283 0.000 0.628 2182 A CB -0.618 18.206 19.000 -0.293 0.000 0.830 2182 A HN 0.336 nan 8.150 nan 0.000 0.446 2183 V N 0.523 120.191 119.914 -0.409 0.000 2.649 2183 V HA -0.164 3.956 4.120 0.000 0.000 0.248 2183 V C 1.916 177.827 176.094 -0.306 0.000 1.054 2183 V CA 2.163 64.239 62.300 -0.374 0.000 1.073 2183 V CB -0.798 30.769 31.823 -0.426 0.000 0.699 2183 V HN 0.656 nan 8.190 nan 0.000 0.463 2184 N N -1.051 117.442 118.700 -0.345 0.000 2.511 2184 N HA -0.049 4.692 4.740 0.000 0.000 0.190 2184 N C 1.735 177.113 175.510 -0.220 0.000 1.037 2184 N CA 1.133 53.996 53.050 -0.312 0.000 0.895 2184 N CB -0.019 38.188 38.487 -0.467 0.000 1.149 2184 N HN 0.283 nan 8.380 nan 0.000 0.437 2185 T N 0.817 115.248 114.554 -0.205 0.000 2.668 2185 T HA 0.007 4.357 4.350 0.000 0.000 0.258 2185 T C 2.117 176.759 174.700 -0.096 0.000 1.051 2185 T CA 1.252 63.275 62.100 -0.129 0.000 1.155 2185 T CB -0.408 68.397 68.868 -0.103 0.000 0.864 2185 T HN 0.240 nan 8.240 nan 0.000 0.413 2186 A N 0.905 123.655 122.820 -0.116 0.000 1.929 2186 A HA 0.088 4.408 4.320 0.000 0.000 0.216 2186 A C 0.958 178.427 177.584 -0.192 0.000 1.176 2186 A CA 0.964 52.954 52.037 -0.079 0.000 0.628 2186 A CB -0.413 18.525 19.000 -0.102 0.000 0.816 2186 A HN 0.580 nan 8.150 nan 0.000 0.444 2187 K N -0.891 119.340 120.400 -0.282 0.000 3.372 2187 K HA -0.099 4.221 4.320 0.000 0.000 0.272 2187 K C -0.549 175.737 176.600 -0.524 0.000 1.037 2187 K CA 0.287 56.401 56.287 -0.289 0.000 0.777 2187 K CB -2.163 30.255 32.500 -0.138 0.000 1.347 2187 K HN 0.244 nan 8.250 nan 0.000 0.460 2188 V N 1.202 120.690 119.914 -0.710 0.000 2.694 2188 V HA -0.049 4.072 4.120 0.000 0.000 0.306 2188 V C 1.166 177.005 176.094 -0.425 0.000 1.054 2188 V CA 0.619 62.368 62.300 -0.919 0.000 1.161 2188 V CB 1.329 32.804 31.823 -0.580 0.000 0.916 2188 V HN 0.367 nan 8.190 nan 0.000 0.490 2189 T N 7.070 121.481 114.554 -0.238 0.000 2.929 2189 T HA 0.399 4.750 4.350 0.000 0.000 0.284 2189 T C -2.506 172.193 174.700 -0.000 0.000 1.014 2189 T CA -1.181 60.901 62.100 -0.029 0.000 1.051 2189 T CB 1.734 70.668 68.868 0.109 0.000 1.028 2189 T HN 0.457 nan 8.240 nan 0.000 0.485 2190 P HA 0.225 nan 4.420 nan 0.000 0.267 2190 P C 0.846 178.156 177.300 0.016 0.000 1.205 2190 P CA 0.735 63.834 63.100 -0.001 0.000 0.765 2190 P CB 0.358 32.056 31.700 -0.002 0.000 0.828 2191 G N 1.872 110.680 108.800 0.013 0.000 2.179 2191 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 2191 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 2191 G C 0.462 175.377 174.900 0.025 0.000 0.977 2191 G CA 0.358 45.465 45.100 0.013 0.000 0.641 2191 G HN 0.768 nan 8.290 nan 0.000 0.533 2192 S N -0.138 115.598 115.700 0.060 0.000 2.624 2192 S HA 0.681 5.151 4.470 0.000 0.000 0.263 2192 S C 0.343 174.990 174.600 0.079 0.000 1.287 2192 S CA 0.673 58.936 58.200 0.104 0.000 0.990 2192 S CB 1.559 64.936 63.200 0.294 0.000 0.950 2192 S HN 1.600 nan 8.310 nan 0.000 0.561 2193 T N -1.453 113.144 114.554 0.070 0.000 2.823 2193 T HA 0.679 5.029 4.350 0.000 0.000 0.279 2193 T C -0.339 174.416 174.700 0.091 0.000 0.998 2193 T CA -0.813 61.312 62.100 0.042 0.000 0.994 2193 T CB 0.019 68.882 68.868 -0.007 0.000 0.960 2193 T HN 0.769 nan 8.240 nan 0.000 0.448 2194 C N 1.992 121.331 119.300 0.066 0.000 2.889 2194 C HA 0.989 5.449 4.460 0.000 0.000 0.307 2194 C C 0.159 175.162 174.990 0.021 0.000 1.251 2194 C CA -0.832 58.238 59.018 0.086 0.000 1.593 2194 C CB 1.170 28.952 27.740 0.070 0.000 2.104 2194 C HN 1.257 nan 8.230 nan 0.000 0.476 2195 A N 1.212 124.060 122.820 0.048 0.000 2.374 2195 A HA 0.798 5.118 4.320 0.000 0.000 0.305 2195 A C -1.316 176.263 177.584 -0.008 0.000 1.053 2195 A CA -0.289 51.722 52.037 -0.044 0.000 0.726 2195 A CB 1.004 20.010 19.000 0.009 0.000 1.229 2195 A HN 0.751 nan 8.150 nan 0.000 0.431 2196 V N 2.738 122.556 119.914 -0.159 0.000 2.378 2196 V HA 0.446 4.566 4.120 0.000 0.000 0.288 2196 V C -1.198 174.798 176.094 -0.164 0.000 1.016 2196 V CA -0.260 62.010 62.300 -0.051 0.000 0.840 2196 V CB 0.863 32.643 31.823 -0.071 0.000 0.994 2196 V HN 0.697 nan 8.190 nan 0.000 0.431 2197 F N 2.841 122.798 119.950 0.013 0.000 2.391 2197 F HA 0.736 5.263 4.527 0.000 0.000 0.359 2197 F C 0.878 176.712 175.800 0.056 0.000 1.122 2197 F CA -0.312 57.710 58.000 0.036 0.000 1.120 2197 F CB 1.521 40.546 39.000 0.042 0.000 1.142 2197 F HN 0.743 nan 8.300 nan 0.000 0.483 2198 G N 4.114 113.029 108.800 0.192 0.000 3.380 2198 G HA2 -0.115 3.845 3.960 0.000 0.000 0.685 2198 G HA3 -0.115 3.845 3.960 0.000 0.000 0.685 2198 G C -0.979 174.014 174.900 0.155 0.000 1.136 2198 G CA -1.138 44.073 45.100 0.185 0.000 1.011 2198 G HN 0.668 nan 8.290 nan 0.000 0.471 2199 L N 2.977 124.316 121.223 0.192 0.000 2.783 2199 L HA 0.514 4.854 4.340 0.000 0.000 0.235 2199 L C 1.400 178.521 176.870 0.418 0.000 1.260 2199 L CA 0.156 55.140 54.840 0.241 0.000 1.184 2199 L CB 0.021 42.213 42.059 0.222 0.000 1.472 2199 L HN 0.704 nan 8.230 nan 0.000 0.426 2200 G N -0.634 108.359 108.800 0.321 0.000 2.857 2200 G HA2 0.414 4.374 3.960 0.000 0.000 0.217 2200 G HA3 0.414 4.374 3.960 0.000 0.000 0.217 2200 G C 0.941 176.005 174.900 0.274 0.000 1.357 2200 G CA 0.189 45.430 45.100 0.236 0.000 1.033 2200 G HN 0.293 nan 8.290 nan 0.000 0.571 2201 G N -0.950 107.934 108.800 0.139 0.000 2.440 2201 G HA2 -0.137 3.823 3.960 0.000 0.000 0.218 2201 G HA3 -0.137 3.823 3.960 0.000 0.000 0.218 2201 G C 1.639 176.658 174.900 0.197 0.000 1.154 2201 G CA 1.532 46.711 45.100 0.133 0.000 0.767 2201 G HN 0.407 nan 8.290 nan 0.000 0.552 2202 V N 1.457 121.471 119.914 0.166 0.000 2.307 2202 V HA -0.047 4.073 4.120 0.000 0.000 0.245 2202 V C 3.150 179.333 176.094 0.147 0.000 1.045 2202 V CA 2.029 64.416 62.300 0.145 0.000 1.024 2202 V CB -1.010 30.888 31.823 0.125 0.000 0.651 2202 V HN 0.443 nan 8.190 nan 0.000 0.449 2203 G N -0.901 108.004 108.800 0.175 0.000 2.440 2203 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 2203 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 2203 G C 1.505 176.467 174.900 0.103 0.000 1.154 2203 G CA 0.829 46.004 45.100 0.125 0.000 0.767 2203 G HN 0.444 nan 8.290 nan 0.000 0.552 2204 F N 1.654 121.652 119.950 0.080 0.000 2.186 2204 F HA -0.026 4.501 4.527 0.000 0.000 0.299 2204 F C 3.081 178.944 175.800 0.105 0.000 1.090 2204 F CA 1.459 59.517 58.000 0.097 0.000 1.307 2204 F CB -0.126 38.944 39.000 0.117 0.000 1.019 2204 F HN 0.081 nan 8.300 nan 0.000 0.489 2205 S N -0.249 115.612 115.700 0.268 0.000 2.383 2205 S HA -0.149 4.321 4.470 0.000 0.000 0.227 2205 S C 2.314 176.904 174.600 -0.016 0.000 1.026 2205 S CA 0.943 59.200 58.200 0.095 0.000 0.981 2205 S CB -0.584 62.593 63.200 -0.038 0.000 0.818 2205 S HN 0.369 nan 8.310 nan 0.000 0.472 2206 A N 1.235 124.055 122.820 -0.001 0.000 1.968 2206 A HA 0.062 4.382 4.320 0.000 0.000 0.217 2206 A C 2.021 179.569 177.584 -0.060 0.000 1.169 2206 A CA 0.848 52.851 52.037 -0.057 0.000 0.638 2206 A CB -0.559 18.425 19.000 -0.026 0.000 0.812 2206 A HN 0.473 nan 8.150 nan 0.000 0.446 2207 I N -0.503 120.051 120.570 -0.027 0.000 2.252 2207 I HA -0.190 3.980 4.170 0.000 0.000 0.245 2207 I C 2.252 178.379 176.117 0.016 0.000 1.102 2207 I CA 0.964 62.240 61.300 -0.041 0.000 1.385 2207 I CB -0.175 37.767 38.000 -0.096 0.000 1.064 2207 I HN 0.139 nan 8.210 nan 0.000 0.414 2208 V N 0.889 120.865 119.914 0.102 0.000 2.490 2208 V HA -0.191 3.929 4.120 0.000 0.000 0.250 2208 V C 2.477 178.656 176.094 0.142 0.000 1.061 2208 V CA 2.051 64.470 62.300 0.198 0.000 1.064 2208 V CB -1.186 30.862 31.823 0.375 0.000 0.670 2208 V HN 0.576 nan 8.190 nan 0.000 0.461 2209 G N -1.379 107.395 108.800 -0.043 0.000 2.394 2209 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 2209 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 2209 G C 1.713 176.432 174.900 -0.302 0.000 1.165 2209 G CA 1.139 45.972 45.100 -0.446 0.000 0.784 2209 G HN 0.531 nan 8.290 nan 0.000 0.535 2210 C N 0.142 119.331 119.300 -0.184 0.000 2.425 2210 C HA 0.062 4.522 4.460 0.000 0.000 0.277 2210 C C 2.705 177.641 174.990 -0.091 0.000 1.280 2210 C CA 1.139 60.069 59.018 -0.146 0.000 1.744 2210 C CB -0.537 27.145 27.740 -0.097 0.000 1.989 2210 C HN 0.541 nan 8.230 nan 0.000 0.491 2211 K N 1.191 121.566 120.400 -0.041 0.000 2.057 2211 K HA -0.090 4.231 4.320 0.000 0.000 0.206 2211 K C 2.162 178.768 176.600 0.010 0.000 1.050 2211 K CA 1.453 57.741 56.287 0.001 0.000 0.935 2211 K CB -0.292 32.234 32.500 0.043 0.000 0.715 2211 K HN 0.388 nan 8.250 nan 0.000 0.439 2212 A N 1.060 123.894 122.820 0.023 0.000 1.940 2212 A HA -0.097 4.223 4.320 0.000 0.000 0.219 2212 A C 2.219 179.797 177.584 -0.011 0.000 1.176 2212 A CA 1.839 53.908 52.037 0.055 0.000 0.631 2212 A CB -0.681 18.409 19.000 0.151 0.000 0.814 2212 A HN 0.469 nan 8.150 nan 0.000 0.446 2213 A N -1.892 120.874 122.820 -0.089 0.000 2.209 2213 A HA 0.382 4.703 4.320 0.000 0.000 0.212 2213 A C 1.768 179.312 177.584 -0.067 0.000 1.158 2213 A CA 1.319 53.292 52.037 -0.107 0.000 0.742 2213 A CB -0.912 17.972 19.000 -0.193 0.000 0.790 2213 A HN 1.961 nan 8.150 nan 0.000 0.472 2214 G N -2.068 106.708 108.800 -0.040 0.000 2.130 2214 G HA2 0.150 4.111 3.960 0.000 0.000 0.216 2214 G HA3 0.150 4.111 3.960 0.000 0.000 0.216 2214 G C 0.324 175.214 174.900 -0.017 0.000 0.999 2214 G CA 0.187 45.275 45.100 -0.020 0.000 0.686 2214 G HN 1.537 nan 8.290 nan 0.000 0.515 2215 A N 0.282 123.087 122.820 -0.026 0.000 2.462 2215 A HA 0.682 5.002 4.320 0.000 0.000 0.243 2215 A C 1.677 179.259 177.584 -0.003 0.000 1.076 2215 A CA 1.168 53.200 52.037 -0.008 0.000 0.773 2215 A CB 0.395 19.387 19.000 -0.013 0.000 1.010 2215 A HN 1.669 nan 8.150 nan 0.000 0.493 2216 S N 2.001 117.703 115.700 0.002 0.000 2.458 2216 S HA 0.112 4.582 4.470 0.000 0.000 0.223 2216 S C 0.777 175.371 174.600 -0.010 0.000 1.019 2216 S CA 0.340 58.538 58.200 -0.004 0.000 0.937 2216 S CB 0.058 63.255 63.200 -0.004 0.000 0.788 2216 S HN 0.693 nan 8.310 nan 0.000 0.511 2217 R N 0.279 120.773 120.500 -0.011 0.000 2.532 2217 R HA 0.625 4.965 4.340 0.000 0.000 0.297 2217 R C -1.640 174.643 176.300 -0.028 0.000 0.984 2217 R CA -0.345 55.740 56.100 -0.024 0.000 0.884 2217 R CB 1.819 32.102 30.300 -0.028 0.000 1.182 2217 R HN 0.259 nan 8.270 nan 0.000 0.442 2218 I N 5.065 125.606 120.570 -0.048 0.000 2.448 2218 I HA 0.361 4.531 4.170 0.000 0.000 0.281 2218 I C -0.370 175.681 176.117 -0.110 0.000 1.027 2218 I CA -0.535 60.725 61.300 -0.067 0.000 1.111 2218 I CB 1.679 39.641 38.000 -0.064 0.000 1.236 2218 I HN 0.432 nan 8.210 nan 0.000 0.452 2219 I N 5.468 125.959 120.570 -0.132 0.000 2.304 2219 I HA 0.370 4.540 4.170 0.000 0.000 0.291 2219 I C 0.867 176.821 176.117 -0.271 0.000 1.018 2219 I CA -0.324 60.858 61.300 -0.197 0.000 1.260 2219 I CB 1.321 39.205 38.000 -0.193 0.000 1.390 2219 I HN 0.589 nan 8.210 nan 0.000 0.475 2220 G N 5.951 114.565 108.800 -0.310 0.000 2.325 2220 G HA2 0.522 4.482 3.960 0.000 0.000 0.298 2220 G HA3 0.522 4.482 3.960 0.000 0.000 0.298 2220 G C -0.608 174.066 174.900 -0.378 0.000 1.134 2220 G CA -0.249 44.649 45.100 -0.337 0.000 0.876 2220 G HN 0.374 nan 8.290 nan 0.000 0.452 2221 V N 2.119 121.820 119.914 -0.356 0.000 2.378 2221 V HA 0.885 5.005 4.120 0.000 0.000 0.288 2221 V C 0.610 176.690 176.094 -0.023 0.000 1.016 2221 V CA 0.019 62.146 62.300 -0.290 0.000 0.840 2221 V CB 0.971 32.399 31.823 -0.657 0.000 0.994 2221 V HN 1.129 nan 8.190 nan 0.000 0.431 2222 G N 2.223 111.128 108.800 0.175 0.000 2.649 2222 G HA2 0.546 4.506 3.960 0.000 0.000 0.290 2222 G HA3 0.546 4.506 3.960 0.000 0.000 0.290 2222 G C 0.037 175.109 174.900 0.287 0.000 1.426 2222 G CA 0.275 45.543 45.100 0.280 0.000 0.794 2222 G HN 0.630 nan 8.290 nan 0.000 0.483 2223 T N -2.646 112.003 114.554 0.158 0.000 3.129 2223 T HA 0.305 4.655 4.350 0.000 0.000 0.267 2223 T C -0.127 174.368 174.700 -0.341 0.000 1.018 2223 T CA 0.079 62.144 62.100 -0.059 0.000 0.903 2223 T CB -0.246 68.545 68.868 -0.129 0.000 1.067 2223 T HN 0.419 nan 8.240 nan 0.000 0.549 2224 H N 1.817 120.838 119.070 -0.082 0.000 2.645 2224 H HA 0.360 4.916 4.556 0.000 0.000 0.257 2224 H C 1.304 176.329 175.328 -0.506 0.000 1.269 2224 H CA -0.883 55.057 56.048 -0.180 0.000 1.409 2224 H CB 1.250 30.978 29.762 -0.057 0.000 1.434 2224 H HN 0.272 nan 8.280 nan 0.000 0.505 2225 K N 0.725 120.714 120.400 -0.685 0.000 2.286 2225 K HA -0.186 4.135 4.320 0.000 0.000 0.203 2225 K C 0.296 176.521 176.600 -0.626 0.000 1.045 2225 K CA 1.547 57.091 56.287 -1.238 0.000 0.935 2225 K CB 0.219 32.334 32.500 -0.640 0.000 0.737 2225 K HN 0.351 nan 8.250 nan 0.000 0.460 2226 D N 1.471 121.715 120.400 -0.260 0.000 2.351 2226 D HA -0.082 4.558 4.640 0.000 0.000 0.216 2226 D C 1.251 177.549 176.300 -0.004 0.000 0.968 2226 D CA 0.993 54.940 54.000 -0.087 0.000 0.899 2226 D CB 0.148 40.929 40.800 -0.032 0.000 0.907 2226 D HN 0.442 nan 8.370 nan 0.000 0.514 2227 K N -0.505 119.903 120.400 0.012 0.000 2.323 2227 K HA 0.098 4.418 4.320 0.000 0.000 0.197 2227 K C 1.998 178.845 176.600 0.412 0.000 1.043 2227 K CA -0.098 56.336 56.287 0.246 0.000 0.997 2227 K CB 0.138 32.853 32.500 0.358 0.000 0.807 2227 K HN 0.169 nan 8.250 nan 0.000 0.497 2228 F N 1.579 121.602 119.950 0.123 0.000 2.115 2228 F HA -0.203 4.324 4.527 0.000 0.000 0.300 2228 F C -0.634 175.206 175.800 0.068 0.000 1.092 2228 F CA 0.693 58.732 58.000 0.066 0.000 1.245 2228 F CB -1.271 37.753 39.000 0.040 0.000 0.995 2228 F HN 0.054 nan 8.300 nan 0.000 0.481 2229 P HA -0.176 nan 4.420 nan 0.000 0.215 2229 P C 1.452 178.854 177.300 0.171 0.000 1.157 2229 P CA 1.386 64.587 63.100 0.169 0.000 0.868 2229 P CB -0.072 31.700 31.700 0.120 0.000 0.788 2230 K N -0.310 120.230 120.400 0.233 0.000 2.009 2230 K HA -0.118 4.202 4.320 0.000 0.000 0.210 2230 K C 2.094 178.927 176.600 0.388 0.000 1.049 2230 K CA 1.809 58.280 56.287 0.305 0.000 0.929 2230 K CB -1.192 31.537 32.500 0.381 0.000 0.714 2230 K HN 0.028 nan 8.250 nan 0.000 0.440 2231 A N 1.879 124.897 122.820 0.331 0.000 1.892 2231 A HA -0.196 4.124 4.320 0.000 0.000 0.218 2231 A C 2.157 179.745 177.584 0.007 0.000 1.188 2231 A CA 1.592 53.604 52.037 -0.042 0.000 0.631 2231 A CB -0.519 18.334 19.000 -0.243 0.000 0.822 2231 A HN 0.174 nan 8.150 nan 0.000 0.447 2232 I N 0.085 120.679 120.570 0.040 0.000 2.179 2232 I HA -0.228 3.942 4.170 0.000 0.000 0.242 2232 I C 2.338 178.489 176.117 0.058 0.000 1.088 2232 I CA 1.667 62.981 61.300 0.023 0.000 1.357 2232 I CB -1.795 36.222 38.000 0.029 0.000 1.051 2232 I HN 0.485 nan 8.210 nan 0.000 0.409 2233 E N 0.669 120.923 120.200 0.090 0.000 2.171 2233 E HA -0.195 4.155 4.350 0.000 0.000 0.197 2233 E C 2.067 178.746 176.600 0.131 0.000 0.997 2233 E CA 1.010 57.465 56.400 0.092 0.000 0.810 2233 E CB -0.146 29.599 29.700 0.075 0.000 0.738 2233 E HN 0.479 nan 8.360 nan 0.000 0.467 2234 L N -0.922 120.404 121.223 0.172 0.000 2.591 2234 L HA 0.151 4.491 4.340 0.000 0.000 0.228 2234 L C 1.453 178.409 176.870 0.143 0.000 1.133 2234 L CA 0.449 55.418 54.840 0.215 0.000 0.880 2234 L CB 0.382 42.634 42.059 0.322 0.000 1.033 2234 L HN 0.327 nan 8.230 nan 0.000 0.450 2235 G N -0.700 108.149 108.800 0.082 0.000 2.551 2235 G HA2 -0.135 3.825 3.960 0.000 0.000 0.186 2235 G HA3 -0.135 3.825 3.960 0.000 0.000 0.186 2235 G C 0.378 175.275 174.900 -0.005 0.000 1.002 2235 G CA -0.194 44.932 45.100 0.045 0.000 0.723 2235 G HN 0.310 nan 8.290 nan 0.000 0.481 2236 A N 1.154 123.951 122.820 -0.039 0.000 2.477 2236 A HA 0.577 4.897 4.320 0.000 0.000 0.246 2236 A C 1.577 179.121 177.584 -0.067 0.000 1.078 2236 A CA 1.537 53.522 52.037 -0.086 0.000 0.770 2236 A CB 0.303 19.212 19.000 -0.152 0.000 1.011 2236 A HN 1.267 nan 8.150 nan 0.000 0.494 2237 T N -0.960 113.550 114.554 -0.073 0.000 3.065 2237 T HA 0.302 4.652 4.350 0.000 0.000 0.252 2237 T C 0.232 174.885 174.700 -0.078 0.000 1.099 2237 T CA 0.684 62.749 62.100 -0.058 0.000 1.063 2237 T CB -0.553 68.288 68.868 -0.046 0.000 0.948 2237 T HN 0.963 nan 8.240 nan 0.000 0.506 2238 E N -1.229 118.896 120.200 -0.125 0.000 2.389 2238 E HA 0.480 4.830 4.350 0.000 0.000 0.281 2238 E C -1.951 174.480 176.600 -0.281 0.000 1.111 2238 E CA -1.238 55.063 56.400 -0.164 0.000 0.869 2238 E CB 0.421 30.048 29.700 -0.123 0.000 1.259 2238 E HN 0.107 nan 8.360 nan 0.000 0.434 2239 C N 1.475 120.525 119.300 -0.417 0.000 2.634 2239 C HA 0.745 5.205 4.460 0.000 0.000 0.313 2239 C C -0.753 173.867 174.990 -0.616 0.000 1.198 2239 C CA -0.547 58.015 59.018 -0.760 0.000 1.605 2239 C CB 0.758 27.514 27.740 -1.639 0.000 2.196 2239 C HN 0.562 nan 8.230 nan 0.000 0.486 2240 L N 2.324 123.263 121.223 -0.473 0.000 2.408 2240 L HA 0.505 4.846 4.340 0.000 0.000 0.268 2240 L C -0.387 176.559 176.870 0.128 0.000 0.986 2240 L CA -0.289 54.498 54.840 -0.088 0.000 0.820 2240 L CB 1.553 43.572 42.059 -0.066 0.000 1.303 2240 L HN 0.736 nan 8.230 nan 0.000 0.411 2241 N N 3.261 122.164 118.700 0.339 0.000 2.546 2241 N HA 0.300 5.040 4.740 0.000 0.000 0.238 2241 N C -2.031 173.662 175.510 0.306 0.000 0.984 2241 N CA -1.658 51.602 53.050 0.351 0.000 0.935 2241 N CB 1.818 40.493 38.487 0.315 0.000 1.122 2241 N HN 0.287 nan 8.380 nan 0.000 0.510 2242 P HA -0.193 nan 4.420 nan 0.000 0.218 2242 P C 0.443 177.868 177.300 0.209 0.000 1.146 2242 P CA 1.309 64.556 63.100 0.245 0.000 0.813 2242 P CB 0.235 32.036 31.700 0.167 0.000 0.778 2243 K N -0.916 119.561 120.400 0.128 0.000 2.288 2243 K HA -0.087 4.233 4.320 0.000 0.000 0.201 2243 K C 1.104 177.718 176.600 0.023 0.000 1.048 2243 K CA 0.959 57.282 56.287 0.061 0.000 0.956 2243 K CB -0.342 32.167 32.500 0.015 0.000 0.746 2243 K HN 0.184 nan 8.250 nan 0.000 0.461 2244 D N -0.334 120.062 120.400 -0.007 0.000 2.317 2244 D HA -0.044 4.596 4.640 0.000 0.000 0.211 2244 D C -0.049 176.075 176.300 -0.294 0.000 0.966 2244 D CA 0.840 54.732 54.000 -0.180 0.000 0.876 2244 D CB 0.094 40.709 40.800 -0.308 0.000 0.927 2244 D HN 0.115 nan 8.370 nan 0.000 0.519 2245 Y N 0.480 120.782 120.300 0.004 0.000 2.352 2245 Y HA 0.146 4.696 4.550 0.000 0.000 0.326 2245 Y C 1.448 177.339 175.900 -0.016 0.000 1.166 2245 Y CA -0.565 57.529 58.100 -0.010 0.000 1.182 2245 Y CB 1.580 40.028 38.460 -0.019 0.000 1.216 2245 Y HN -0.258 nan 8.280 nan 0.000 0.474 2246 D N 1.191 121.680 120.400 0.148 0.000 2.323 2246 D HA -0.034 4.606 4.640 0.000 0.000 0.218 2246 D C 0.076 176.410 176.300 0.056 0.000 0.973 2246 D CA 0.411 54.455 54.000 0.073 0.000 0.890 2246 D CB 0.465 41.290 40.800 0.042 0.000 1.011 2246 D HN 0.662 nan 8.370 nan 0.000 0.499 2247 K N 1.203 121.642 120.400 0.066 0.000 2.126 2247 K HA 0.432 4.752 4.320 0.000 0.000 0.257 2247 K C -2.653 173.879 176.600 -0.113 0.000 1.007 2247 K CA -1.473 54.798 56.287 -0.027 0.000 0.928 2247 K CB 0.535 33.013 32.500 -0.036 0.000 1.013 2247 K HN -0.267 nan 8.250 nan 0.000 0.473 2248 P HA -0.097 nan 4.420 nan 0.000 0.264 2248 P C 0.377 177.380 177.300 -0.495 0.000 1.183 2248 P CA -0.150 62.668 63.100 -0.469 0.000 0.763 2248 P CB 0.293 31.411 31.700 -0.969 0.000 0.807 2249 I N 4.233 124.616 120.570 -0.313 0.000 2.335 2249 I HA -0.277 3.893 4.170 0.000 0.000 0.251 2249 I C 1.701 177.726 176.117 -0.153 0.000 1.129 2249 I CA 1.620 62.798 61.300 -0.204 0.000 1.402 2249 I CB -0.793 37.228 38.000 0.034 0.000 1.069 2249 I HN 0.428 nan 8.210 nan 0.000 0.424 2250 Y N -0.331 119.976 120.300 0.013 0.000 2.373 2250 Y HA 0.062 4.612 4.550 0.000 0.000 0.293 2250 Y C 2.041 177.933 175.900 -0.013 0.000 1.129 2250 Y CA 0.953 59.067 58.100 0.023 0.000 1.226 2250 Y CB -1.495 36.974 38.460 0.014 0.000 1.000 2250 Y HN 0.243 nan 8.280 nan 0.000 0.549 2251 E N 0.785 120.819 120.200 -0.276 0.000 2.107 2251 E HA -0.088 4.262 4.350 0.000 0.000 0.191 2251 E C 2.266 178.799 176.600 -0.111 0.000 0.982 2251 E CA 1.227 57.560 56.400 -0.110 0.000 0.809 2251 E CB -0.136 29.450 29.700 -0.190 0.000 0.756 2251 E HN 0.396 nan 8.360 nan 0.000 0.459 2252 V N 1.846 121.629 119.914 -0.218 0.000 2.295 2252 V HA -0.268 3.852 4.120 0.000 0.000 0.246 2252 V C 2.303 178.303 176.094 -0.156 0.000 1.049 2252 V CA 1.569 63.715 62.300 -0.257 0.000 1.024 2252 V CB -0.401 31.072 31.823 -0.584 0.000 0.648 2252 V HN 0.258 nan 8.190 nan 0.000 0.447 2253 I N -0.675 119.828 120.570 -0.111 0.000 2.226 2253 I HA -0.264 3.906 4.170 0.000 0.000 0.245 2253 I C 2.579 178.696 176.117 0.001 0.000 1.100 2253 I CA 1.479 62.754 61.300 -0.042 0.000 1.374 2253 I CB -0.458 37.557 38.000 0.025 0.000 1.057 2253 I HN 0.371 nan 8.210 nan 0.000 0.413 2254 C N 0.625 119.947 119.300 0.038 0.000 2.425 2254 C HA -0.142 4.318 4.460 0.000 0.000 0.277 2254 C C 2.621 177.627 174.990 0.026 0.000 1.280 2254 C CA 0.802 59.854 59.018 0.056 0.000 1.744 2254 C CB -1.046 26.751 27.740 0.094 0.000 1.989 2254 C HN 0.484 nan 8.230 nan 0.000 0.491 2255 E N 0.389 120.591 120.200 0.004 0.000 2.204 2255 E HA -0.160 4.190 4.350 0.000 0.000 0.194 2255 E C 1.938 178.531 176.600 -0.011 0.000 0.989 2255 E CA 0.923 57.321 56.400 -0.004 0.000 0.824 2255 E CB -0.011 29.681 29.700 -0.014 0.000 0.756 2255 E HN 0.621 nan 8.360 nan 0.000 0.477 2256 K N -0.156 120.230 120.400 -0.022 0.000 2.426 2256 K HA 0.009 4.329 4.320 0.000 0.000 0.193 2256 K C 0.935 177.519 176.600 -0.027 0.000 1.028 2256 K CA 1.037 57.308 56.287 -0.026 0.000 1.047 2256 K CB 0.618 33.094 32.500 -0.039 0.000 0.821 2256 K HN 0.063 nan 8.250 nan 0.000 0.513 2257 T N -1.895 112.646 114.554 -0.022 0.000 3.487 2257 T HA 0.153 4.504 4.350 0.000 0.000 0.287 2257 T C -0.283 174.390 174.700 -0.045 0.000 1.004 2257 T CA -0.763 61.318 62.100 -0.032 0.000 0.977 2257 T CB -0.187 68.666 68.868 -0.025 0.000 1.180 2257 T HN 0.029 nan 8.240 nan 0.000 0.490 2258 N N 1.501 120.180 118.700 -0.036 0.000 2.725 2258 N HA -0.214 4.526 4.740 0.000 0.000 0.251 2258 N C 1.141 176.632 175.510 -0.032 0.000 1.031 2258 N CA 1.462 54.484 53.050 -0.047 0.000 0.720 2258 N CB -1.567 36.865 38.487 -0.093 0.000 0.930 2258 N HN 1.194 nan 8.380 nan 0.000 0.543 2259 G N -2.156 106.673 108.800 0.049 0.000 2.231 2259 G HA2 0.186 4.146 3.960 0.000 0.000 0.206 2259 G HA3 0.186 4.146 3.960 0.000 0.000 0.206 2259 G C 0.386 175.418 174.900 0.219 0.000 0.996 2259 G CA 0.471 45.678 45.100 0.179 0.000 0.645 2259 G HN 1.558 nan 8.290 nan 0.000 0.498 2260 G N -1.867 107.001 108.800 0.112 0.000 2.335 2260 G HA2 0.517 4.477 3.960 0.000 0.000 0.592 2260 G HA3 0.517 4.477 3.960 0.000 0.000 0.592 2260 G C 0.001 174.935 174.900 0.057 0.000 1.442 2260 G CA 0.296 45.462 45.100 0.109 0.000 0.976 2260 G HN 1.878 nan 8.290 nan 0.000 0.652 2261 V N -1.180 118.764 119.914 0.050 0.000 3.133 2261 V HA 0.547 4.667 4.120 0.000 0.000 0.305 2261 V C 0.985 177.062 176.094 -0.028 0.000 1.084 2261 V CA 0.773 63.082 62.300 0.015 0.000 1.089 2261 V CB 1.422 33.273 31.823 0.047 0.000 1.073 2261 V HN 0.698 nan 8.190 nan 0.000 0.477 2262 D N 0.052 120.384 120.400 -0.113 0.000 2.213 2262 D HA 0.083 4.724 4.640 0.000 0.000 0.205 2262 D C -0.246 175.670 176.300 -0.640 0.000 0.961 2262 D CA 1.754 55.525 54.000 -0.382 0.000 0.853 2262 D CB 0.115 40.621 40.800 -0.491 0.000 0.967 2262 D HN 0.724 nan 8.370 nan 0.000 0.496 2263 Y N -0.454 119.859 120.300 0.022 0.000 2.457 2263 Y HA 0.555 5.105 4.550 0.000 0.000 0.343 2263 Y C -0.319 175.608 175.900 0.045 0.000 0.994 2263 Y CA -1.179 56.931 58.100 0.017 0.000 1.031 2263 Y CB 2.189 40.643 38.460 -0.010 0.000 1.246 2263 Y HN -0.224 nan 8.280 nan 0.000 0.449 2264 A N 2.173 125.112 122.820 0.198 0.000 2.371 2264 A HA 0.873 5.193 4.320 0.000 0.000 0.311 2264 A C -1.675 176.010 177.584 0.169 0.000 1.068 2264 A CA -0.775 51.390 52.037 0.214 0.000 0.744 2264 A CB 1.227 20.347 19.000 0.199 0.000 1.239 2264 A HN 0.500 nan 8.150 nan 0.000 0.435 2265 V N 2.613 122.649 119.914 0.203 0.000 2.407 2265 V HA 0.381 4.501 4.120 0.000 0.000 0.291 2265 V C -0.311 175.902 176.094 0.198 0.000 1.018 2265 V CA -0.591 61.791 62.300 0.137 0.000 0.842 2265 V CB 1.561 33.430 31.823 0.078 0.000 0.996 2265 V HN 0.913 nan 8.190 nan 0.000 0.426 2266 E N 3.358 123.627 120.200 0.115 0.000 2.146 2266 E HA 0.290 4.640 4.350 0.000 0.000 0.282 2266 E C -0.507 176.155 176.600 0.102 0.000 0.989 2266 E CA -0.259 56.206 56.400 0.108 0.000 0.799 2266 E CB 1.497 31.186 29.700 -0.018 0.000 1.088 2266 E HN 0.816 nan 8.360 nan 0.000 0.397 2267 C N 3.671 123.054 119.300 0.137 0.000 2.976 2267 C HA 0.487 4.948 4.460 0.000 0.000 0.274 2267 C C 1.276 176.338 174.990 0.120 0.000 1.487 2267 C CA 0.115 59.204 59.018 0.118 0.000 1.789 2267 C CB -0.749 27.065 27.740 0.123 0.000 2.771 2267 C HN 0.694 nan 8.230 nan 0.000 0.551 2268 A N 0.619 123.509 122.820 0.116 0.000 2.013 2268 A HA 0.555 4.875 4.320 0.000 0.000 0.204 2268 A C 1.982 179.617 177.584 0.085 0.000 1.262 2268 A CA 1.295 53.400 52.037 0.112 0.000 0.800 2268 A CB -0.526 18.552 19.000 0.130 0.000 0.909 2268 A HN 1.242 nan 8.150 nan 0.000 0.472 2269 G N -1.101 107.738 108.800 0.065 0.000 2.213 2269 G HA2 -0.198 3.762 3.960 0.000 0.000 0.236 2269 G HA3 -0.198 3.762 3.960 0.000 0.000 0.236 2269 G C 0.253 175.177 174.900 0.040 0.000 0.991 2269 G CA 0.124 45.252 45.100 0.048 0.000 0.629 2269 G HN 0.456 nan 8.290 nan 0.000 0.517 2270 R N 0.670 121.199 120.500 0.047 0.000 2.490 2270 R HA 0.434 4.774 4.340 0.000 0.000 0.280 2270 R C 1.658 177.969 176.300 0.018 0.000 1.077 2270 R CA -0.720 55.404 56.100 0.041 0.000 1.065 2270 R CB 0.398 30.732 30.300 0.057 0.000 1.003 2270 R HN 0.120 nan 8.270 nan 0.000 0.470 2271 I N 1.928 122.506 120.570 0.013 0.000 2.208 2271 I HA -0.263 3.907 4.170 0.000 0.000 0.245 2271 I C 2.269 178.379 176.117 -0.012 0.000 1.097 2271 I CA 1.401 62.698 61.300 -0.004 0.000 1.363 2271 I CB -0.646 37.354 38.000 -0.000 0.000 1.051 2271 I HN 0.695 nan 8.210 nan 0.000 0.413 2272 E N 0.934 121.138 120.200 0.007 0.000 2.051 2272 E HA -0.249 4.101 4.350 0.000 0.000 0.192 2272 E C 2.163 178.759 176.600 -0.008 0.000 0.991 2272 E CA 2.545 58.953 56.400 0.014 0.000 0.799 2272 E CB 0.058 29.783 29.700 0.041 0.000 0.748 2272 E HN 0.596 nan 8.360 nan 0.000 0.449 2273 T N -0.878 113.675 114.554 -0.002 0.000 2.788 2273 T HA -0.170 4.180 4.350 0.000 0.000 0.268 2273 T C 1.995 176.575 174.700 -0.199 0.000 1.044 2273 T CA 1.478 63.549 62.100 -0.049 0.000 1.139 2273 T CB -0.289 68.605 68.868 0.043 0.000 0.867 2273 T HN 0.126 nan 8.240 nan 0.000 0.454 2274 M N -0.001 119.523 119.600 -0.128 0.000 2.117 2274 M HA -0.004 4.476 4.480 0.000 0.000 0.262 2274 M C 2.505 178.692 176.300 -0.189 0.000 1.065 2274 M CA 1.511 56.718 55.300 -0.154 0.000 1.114 2274 M CB -0.421 32.128 32.600 -0.084 0.000 1.361 2274 M HN 0.187 nan 8.290 nan 0.000 0.408 2275 M N 0.128 119.643 119.600 -0.141 0.000 2.117 2275 M HA -0.153 4.327 4.480 0.000 0.000 0.262 2275 M C 1.709 177.893 176.300 -0.193 0.000 1.065 2275 M CA 1.581 56.793 55.300 -0.146 0.000 1.114 2275 M CB -1.604 30.941 32.600 -0.092 0.000 1.361 2275 M HN 0.251 nan 8.290 nan 0.000 0.408 2276 N N 0.773 119.377 118.700 -0.161 0.000 2.142 2276 N HA -0.050 4.690 4.740 0.000 0.000 0.186 2276 N C 1.767 177.065 175.510 -0.353 0.000 1.023 2276 N CA 1.624 54.621 53.050 -0.089 0.000 0.852 2276 N CB -0.423 38.081 38.487 0.028 0.000 0.998 2276 N HN 0.343 nan 8.380 nan 0.000 0.424 2277 A N 1.244 123.593 122.820 -0.784 0.000 1.883 2277 A HA -0.116 4.205 4.320 0.000 0.000 0.217 2277 A C 2.246 179.640 177.584 -0.317 0.000 1.186 2277 A CA 1.127 52.598 52.037 -0.943 0.000 0.624 2277 A CB -0.838 17.660 19.000 -0.837 0.000 0.822 2277 A HN 0.243 nan 8.150 nan 0.000 0.444 2278 L N -0.014 121.058 121.223 -0.253 0.000 2.012 2278 L HA -0.203 4.137 4.340 0.000 0.000 0.210 2278 L C 2.338 179.114 176.870 -0.156 0.000 1.073 2278 L CA 2.401 57.141 54.840 -0.167 0.000 0.748 2278 L CB -0.677 41.284 42.059 -0.163 0.000 0.891 2278 L HN 0.530 nan 8.230 nan 0.000 0.431 2279 Q N -1.396 118.270 119.800 -0.222 0.000 2.472 2279 Q HA -0.027 4.314 4.340 0.000 0.000 0.208 2279 Q C 1.860 177.826 176.000 -0.056 0.000 0.958 2279 Q CA 0.906 56.550 55.803 -0.264 0.000 0.932 2279 Q CB 0.030 28.336 28.738 -0.720 0.000 1.007 2279 Q HN 0.474 nan 8.270 nan 0.000 0.508 2280 S N 0.519 116.242 115.700 0.039 0.000 2.562 2280 S HA -0.020 4.451 4.470 0.000 0.000 0.221 2280 S C 0.892 175.560 174.600 0.112 0.000 0.975 2280 S CA 0.387 58.685 58.200 0.164 0.000 0.918 2280 S CB 0.087 63.483 63.200 0.327 0.000 0.772 2280 S HN 0.503 nan 8.310 nan 0.000 0.531 2281 T N -0.569 114.015 114.554 0.050 0.000 2.922 2281 T HA 0.423 4.773 4.350 0.000 0.000 0.285 2281 T C -0.351 174.384 174.700 0.059 0.000 1.005 2281 T CA -0.718 61.408 62.100 0.043 0.000 1.061 2281 T CB 0.584 69.448 68.868 -0.007 0.000 1.007 2281 T HN 0.141 nan 8.240 nan 0.000 0.502 2282 Y N 2.360 122.621 120.300 -0.064 0.000 2.721 2282 Y HA 0.148 4.699 4.550 0.000 0.000 0.329 2282 Y C 1.804 177.664 175.900 -0.067 0.000 1.211 2282 Y CA -1.395 56.667 58.100 -0.062 0.000 1.512 2282 Y CB -0.098 38.315 38.460 -0.077 0.000 1.249 2282 Y HN 1.003 nan 8.280 nan 0.000 0.549 2283 C N 2.872 121.875 119.300 -0.495 0.000 2.419 2283 C HA 0.028 4.489 4.460 0.000 0.000 0.283 2283 C C 2.345 177.033 174.990 -0.504 0.000 1.373 2283 C CA 0.871 59.633 59.018 -0.426 0.000 1.781 2283 C CB -1.561 25.976 27.740 -0.337 0.000 1.886 2283 C HN 1.006 nan 8.230 nan 0.000 0.520 2284 G N 0.182 108.425 108.800 -0.929 0.000 2.623 2284 G HA2 0.238 4.198 3.960 0.000 0.000 0.214 2284 G HA3 0.238 4.198 3.960 0.000 0.000 0.214 2284 G C 1.339 176.141 174.900 -0.164 0.000 1.138 2284 G CA 1.238 46.039 45.100 -0.498 0.000 0.794 2284 G HN 1.084 nan 8.290 nan 0.000 0.535 2285 S N -2.170 113.476 115.700 -0.090 0.000 2.551 2285 S HA 0.253 4.723 4.470 0.000 0.000 0.236 2285 S C 1.040 175.602 174.600 -0.065 0.000 0.915 2285 S CA 0.286 58.471 58.200 -0.026 0.000 1.525 2285 S CB -0.535 62.688 63.200 0.038 0.000 1.256 2285 S HN 0.617 nan 8.310 nan 0.000 0.641 2286 G N 1.505 110.270 108.800 -0.058 0.000 2.474 2286 G HA2 0.443 4.403 3.960 0.000 0.000 0.233 2286 G HA3 0.443 4.403 3.960 0.000 0.000 0.233 2286 G C -0.454 174.382 174.900 -0.107 0.000 1.278 2286 G CA 0.155 45.194 45.100 -0.102 0.000 0.861 2286 G HN 0.607 nan 8.290 nan 0.000 0.567 2287 V N 1.822 121.661 119.914 -0.124 0.000 2.487 2287 V HA 0.512 4.632 4.120 0.000 0.000 0.298 2287 V C 0.197 176.316 176.094 0.041 0.000 1.028 2287 V CA -0.563 61.730 62.300 -0.011 0.000 0.860 2287 V CB 2.016 33.904 31.823 0.108 0.000 0.991 2287 V HN 0.825 nan 8.190 nan 0.000 0.427 2288 T N 4.310 118.874 114.554 0.017 0.000 2.807 2288 T HA 0.613 4.963 4.350 0.000 0.000 0.279 2288 T C -0.559 174.147 174.700 0.010 0.000 0.993 2288 T CA -0.366 61.741 62.100 0.012 0.000 0.970 2288 T CB 1.692 70.537 68.868 -0.038 0.000 0.950 2288 T HN 0.337 nan 8.240 nan 0.000 0.441 2289 V N 4.303 124.230 119.914 0.021 0.000 2.448 2289 V HA 0.574 4.694 4.120 0.000 0.000 0.295 2289 V C 0.012 176.108 176.094 0.003 0.000 1.025 2289 V CA -0.864 61.441 62.300 0.008 0.000 0.859 2289 V CB 1.628 33.456 31.823 0.009 0.000 0.988 2289 V HN 0.793 nan 8.190 nan 0.000 0.431 2290 V N 4.224 124.133 119.914 -0.008 0.000 2.483 2290 V HA 0.629 4.749 4.120 0.000 0.000 0.295 2290 V C 0.065 176.165 176.094 0.010 0.000 1.035 2290 V CA -0.360 61.938 62.300 -0.004 0.000 0.896 2290 V CB 1.541 33.352 31.823 -0.020 0.000 0.986 2290 V HN 0.703 nan 8.190 nan 0.000 0.447 2291 L N 3.055 124.296 121.223 0.029 0.000 2.766 2291 L HA 0.510 4.850 4.340 0.000 0.000 0.241 2291 L C 1.520 178.422 176.870 0.054 0.000 1.080 2291 L CA 0.646 55.515 54.840 0.048 0.000 0.909 2291 L CB 0.163 42.263 42.059 0.067 0.000 1.277 2291 L HN 0.856 nan 8.230 nan 0.000 0.510 2292 G N 0.680 109.509 108.800 0.049 0.000 2.562 2292 G HA2 0.567 4.527 3.960 0.000 0.000 0.275 2292 G HA3 0.567 4.527 3.960 0.000 0.000 0.275 2292 G C -1.015 173.904 174.900 0.033 0.000 1.196 2292 G CA -0.274 44.855 45.100 0.049 0.000 0.908 2292 G HN -0.092 nan 8.290 nan 0.000 0.524 2293 L N 0.393 121.636 121.223 0.033 0.000 2.356 2293 L HA 0.655 4.995 4.340 0.000 0.000 0.277 2293 L C 0.749 177.636 176.870 0.029 0.000 0.996 2293 L CA -0.595 54.259 54.840 0.024 0.000 0.822 2293 L CB 1.303 43.373 42.059 0.019 0.000 1.256 2293 L HN 0.704 nan 8.230 nan 0.000 0.413 2294 A N 1.773 124.608 122.820 0.023 0.000 2.251 2294 A HA 0.702 5.022 4.320 0.000 0.000 0.278 2294 A C 0.597 178.200 177.584 0.032 0.000 1.206 2294 A CA -0.327 51.727 52.037 0.028 0.000 0.822 2294 A CB 0.098 19.110 19.000 0.020 0.000 1.187 2294 A HN 0.683 nan 8.150 nan 0.000 0.504 2295 S N 0.758 116.479 115.700 0.036 0.000 2.580 2295 S HA 0.144 4.614 4.470 0.000 0.000 0.261 2295 S C -1.383 173.237 174.600 0.033 0.000 1.366 2295 S CA -0.082 58.143 58.200 0.041 0.000 0.996 2295 S CB -0.299 62.927 63.200 0.043 0.000 0.902 2295 S HN 0.584 nan 8.310 nan 0.000 0.566 2296 P HA -0.216 nan 4.420 nan 0.000 0.216 2296 P C 0.222 177.536 177.300 0.022 0.000 1.062 2296 P CA 2.113 65.231 63.100 0.031 0.000 0.995 2296 P CB -0.092 31.630 31.700 0.035 0.000 0.762 2297 N N -2.751 115.962 118.700 0.020 0.000 2.610 2297 N HA 0.153 4.893 4.740 0.000 0.000 0.307 2297 N C -0.758 174.759 175.510 0.012 0.000 1.813 2297 N CA -0.342 52.717 53.050 0.014 0.000 0.901 2297 N CB -0.259 38.236 38.487 0.013 0.000 1.354 2297 N HN 0.128 nan 8.380 nan 0.000 0.491 2298 E N 0.731 120.939 120.200 0.013 0.000 2.373 2298 E HA 0.331 4.682 4.350 0.000 0.000 0.263 2298 E C -0.163 176.439 176.600 0.004 0.000 1.073 2298 E CA -0.444 55.962 56.400 0.010 0.000 0.894 2298 E CB 0.989 30.698 29.700 0.014 0.000 1.008 2298 E HN 0.210 nan 8.360 nan 0.000 0.420 2299 R N 1.270 121.770 120.500 0.000 0.000 2.750 2299 R HA 0.373 4.713 4.340 0.000 0.000 0.281 2299 R C -0.991 175.302 176.300 -0.011 0.000 0.972 2299 R CA -1.217 54.879 56.100 -0.006 0.000 0.912 2299 R CB 1.210 31.506 30.300 -0.007 0.000 1.187 2299 R HN 0.340 nan 8.270 nan 0.000 0.464 2300 L N 5.104 126.316 121.223 -0.019 0.000 2.268 2300 L HA 0.324 4.665 4.340 0.000 0.000 0.289 2300 L C -1.779 175.073 176.870 -0.030 0.000 1.064 2300 L CA -1.480 53.343 54.840 -0.027 0.000 0.824 2300 L CB 0.759 42.796 42.059 -0.036 0.000 1.202 2300 L HN 0.365 nan 8.230 nan 0.000 0.433 2301 P HA 0.020 nan 4.420 nan 0.000 0.259 2301 P C -0.669 176.606 177.300 -0.041 0.000 1.635 2301 P CA -0.371 62.711 63.100 -0.029 0.000 1.199 2301 P CB 0.278 31.965 31.700 -0.022 0.000 1.850 2302 L N 3.313 124.510 121.223 -0.043 0.000 2.290 2302 L HA 0.325 4.665 4.340 0.000 0.000 0.284 2302 L C 0.025 176.864 176.870 -0.051 0.000 1.078 2302 L CA -0.151 54.657 54.840 -0.053 0.000 0.815 2302 L CB 0.596 42.623 42.059 -0.052 0.000 1.162 2302 L HN 0.095 nan 8.230 nan 0.000 0.435 2303 D N 6.849 127.213 120.400 -0.060 0.000 2.339 2303 D HA 0.272 4.912 4.640 0.000 0.000 0.241 2303 D C -1.823 174.442 176.300 -0.059 0.000 1.183 2303 D CA -2.176 51.790 54.000 -0.056 0.000 0.859 2303 D CB 1.644 42.407 40.800 -0.062 0.000 1.067 2303 D HN 0.355 nan 8.370 nan 0.000 0.484 2304 P HA -0.163 nan 4.420 nan 0.000 0.218 2304 P C 1.644 178.911 177.300 -0.055 0.000 1.146 2304 P CA 0.639 63.710 63.100 -0.049 0.000 0.820 2304 P CB 0.191 31.868 31.700 -0.039 0.000 0.778 2305 L N -1.245 119.944 121.223 -0.056 0.000 2.191 2305 L HA -0.148 4.192 4.340 0.000 0.000 0.212 2305 L C 1.948 178.773 176.870 -0.076 0.000 1.103 2305 L CA 1.230 56.033 54.840 -0.060 0.000 0.769 2305 L CB -0.444 41.582 42.059 -0.055 0.000 0.908 2305 L HN -0.034 nan 8.230 nan 0.000 0.438 2306 L N -0.879 120.293 121.223 -0.084 0.000 2.275 2306 L HA -0.189 4.151 4.340 0.000 0.000 0.215 2306 L C 2.161 178.971 176.870 -0.099 0.000 1.119 2306 L CA 0.768 55.546 54.840 -0.103 0.000 0.790 2306 L CB -0.244 41.746 42.059 -0.116 0.000 0.919 2306 L HN 0.344 nan 8.230 nan 0.000 0.443 2307 L N -1.197 119.976 121.223 -0.083 0.000 2.298 2307 L HA -0.044 4.296 4.340 0.000 0.000 0.209 2307 L C 2.327 179.153 176.870 -0.073 0.000 1.084 2307 L CA 0.285 55.080 54.840 -0.076 0.000 0.816 2307 L CB -0.197 41.825 42.059 -0.062 0.000 0.967 2307 L HN 0.194 nan 8.230 nan 0.000 0.460 2308 L N 0.270 121.452 121.223 -0.068 0.000 2.129 2308 L HA -0.217 4.123 4.340 0.000 0.000 0.212 2308 L C 2.611 179.438 176.870 -0.071 0.000 1.087 2308 L CA 1.955 56.758 54.840 -0.062 0.000 0.757 2308 L CB -0.938 41.088 42.059 -0.055 0.000 0.896 2308 L HN 0.465 nan 8.230 nan 0.000 0.434 2309 T N -4.074 110.425 114.554 -0.092 0.000 3.118 2309 T HA 0.196 4.546 4.350 0.000 0.000 0.260 2309 T C 1.298 175.927 174.700 -0.119 0.000 1.139 2309 T CA 0.649 62.683 62.100 -0.110 0.000 1.085 2309 T CB 0.535 69.316 68.868 -0.146 0.000 0.934 2309 T HN 0.495 nan 8.240 nan 0.000 0.518 2310 G N 0.670 109.408 108.800 -0.103 0.000 2.507 2310 G HA2 -0.059 3.901 3.960 0.000 0.000 0.205 2310 G HA3 -0.059 3.901 3.960 0.000 0.000 0.205 2310 G C 0.069 174.917 174.900 -0.087 0.000 0.996 2310 G CA -0.829 44.216 45.100 -0.091 0.000 0.776 2310 G HN 0.509 nan 8.290 nan 0.000 0.532 2311 R N 0.429 120.872 120.500 -0.094 0.000 2.577 2311 R HA 0.697 5.037 4.340 0.000 0.000 0.269 2311 R C -0.402 175.861 176.300 -0.061 0.000 1.084 2311 R CA 0.087 56.137 56.100 -0.083 0.000 1.163 2311 R CB 1.062 31.306 30.300 -0.094 0.000 1.100 2311 R HN 0.155 nan 8.270 nan 0.000 0.547 2312 S N 1.062 116.732 115.700 -0.050 0.000 2.538 2312 S HA 0.421 4.891 4.470 0.000 0.000 0.288 2312 S C -1.556 173.025 174.600 -0.033 0.000 1.108 2312 S CA -0.699 57.480 58.200 -0.035 0.000 0.971 2312 S CB 1.683 64.873 63.200 -0.018 0.000 1.041 2312 S HN 0.319 nan 8.310 nan 0.000 0.483 2313 L N 3.782 124.985 121.223 -0.034 0.000 2.343 2313 L HA 0.631 4.971 4.340 0.000 0.000 0.278 2313 L C -0.981 175.871 176.870 -0.030 0.000 0.996 2313 L CA 0.018 54.836 54.840 -0.036 0.000 0.831 2313 L CB 0.728 42.759 42.059 -0.047 0.000 1.232 2313 L HN 0.585 nan 8.230 nan 0.000 0.413 2314 K N 3.081 123.467 120.400 -0.024 0.000 2.400 2314 K HA 0.942 5.262 4.320 0.000 0.000 0.246 2314 K C -0.673 175.909 176.600 -0.029 0.000 0.995 2314 K CA -1.019 55.253 56.287 -0.026 0.000 0.840 2314 K CB 2.286 34.775 32.500 -0.019 0.000 1.293 2314 K HN 0.723 nan 8.250 nan 0.000 0.445 2315 G N -0.182 108.595 108.800 -0.038 0.000 2.672 2315 G HA2 0.632 4.592 3.960 0.000 0.000 0.292 2315 G HA3 0.632 4.592 3.960 0.000 0.000 0.292 2315 G C -1.295 173.578 174.900 -0.046 0.000 1.375 2315 G CA -0.578 44.498 45.100 -0.039 0.000 0.890 2315 G HN 0.593 nan 8.290 nan 0.000 0.476 2316 S N -1.734 113.948 115.700 -0.031 0.000 2.611 2316 S HA 0.746 5.216 4.470 0.000 0.000 0.268 2316 S C -1.654 172.968 174.600 0.037 0.000 1.156 2316 S CA -0.704 57.483 58.200 -0.020 0.000 0.817 2316 S CB 1.691 64.876 63.200 -0.025 0.000 1.122 2316 S HN 1.087 nan 8.310 nan 0.000 0.466 2317 V N 1.733 121.702 119.914 0.093 0.000 2.769 2317 V HA 0.652 4.773 4.120 0.000 0.000 0.312 2317 V C -0.025 176.273 176.094 0.341 0.000 1.061 2317 V CA -0.564 61.877 62.300 0.236 0.000 0.931 2317 V CB 1.158 33.140 31.823 0.265 0.000 1.010 2317 V HN 1.281 nan 8.190 nan 0.000 0.433 2318 F N 3.723 123.818 119.950 0.241 0.000 3.067 2318 F HA -0.272 4.255 4.527 0.000 0.000 0.279 2318 F C 1.454 177.379 175.800 0.209 0.000 0.945 2318 F CA 0.836 58.954 58.000 0.198 0.000 0.948 2318 F CB -0.524 38.445 39.000 -0.051 0.000 0.898 2318 F HN 1.065 nan 8.300 nan 0.000 0.746 2319 G N 0.396 109.259 108.800 0.105 0.000 2.244 2319 G HA2 -0.028 3.932 3.960 0.000 0.000 0.274 2319 G HA3 -0.028 3.932 3.960 0.000 0.000 0.274 2319 G C 1.688 176.419 174.900 -0.281 0.000 1.002 2319 G CA 1.121 46.177 45.100 -0.073 0.000 0.740 2319 G HN 2.251 nan 8.290 nan 0.000 0.516 2320 G N -2.160 106.572 108.800 -0.113 0.000 2.184 2320 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 2320 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 2320 G C 0.441 175.244 174.900 -0.161 0.000 0.975 2320 G CA 0.503 45.518 45.100 -0.141 0.000 0.642 2320 G HN 1.134 nan 8.290 nan 0.000 0.536 2321 F N 1.059 120.962 119.950 -0.079 0.000 2.418 2321 F HA 0.498 5.025 4.527 0.000 0.000 0.341 2321 F C 1.224 177.079 175.800 0.093 0.000 1.120 2321 F CA -0.024 57.925 58.000 -0.085 0.000 1.232 2321 F CB 0.767 39.562 39.000 -0.343 0.000 1.175 2321 F HN -0.115 nan 8.300 nan 0.000 0.569 2322 K N 0.843 121.433 120.400 0.316 0.000 2.098 2322 K HA 0.282 4.602 4.320 0.000 0.000 0.258 2322 K C 1.105 177.854 176.600 0.248 0.000 0.973 2322 K CA -0.206 56.221 56.287 0.233 0.000 0.898 2322 K CB 1.305 33.892 32.500 0.144 0.000 1.057 2322 K HN 0.806 nan 8.250 nan 0.000 0.447 2323 G N 1.603 110.511 108.800 0.180 0.000 2.469 2323 G HA2 -0.307 3.653 3.960 0.000 0.000 0.220 2323 G HA3 -0.307 3.653 3.960 0.000 0.000 0.220 2323 G C 1.028 175.988 174.900 0.101 0.000 1.136 2323 G CA 1.056 46.240 45.100 0.140 0.000 0.759 2323 G HN 0.867 nan 8.290 nan 0.000 0.562 2324 E N 0.248 120.497 120.200 0.082 0.000 2.472 2324 E HA -0.054 4.296 4.350 0.000 0.000 0.200 2324 E C 1.595 178.230 176.600 0.058 0.000 1.046 2324 E CA 0.987 57.422 56.400 0.058 0.000 0.871 2324 E CB -0.125 29.605 29.700 0.050 0.000 0.806 2324 E HN 0.543 nan 8.360 nan 0.000 0.533 2325 E N 0.204 120.451 120.200 0.078 0.000 2.476 2325 E HA 0.036 4.387 4.350 0.000 0.000 0.199 2325 E C 1.691 178.250 176.600 -0.068 0.000 1.021 2325 E CA -0.061 56.367 56.400 0.046 0.000 0.907 2325 E CB 0.705 30.501 29.700 0.160 0.000 0.974 2325 E HN 0.059 nan 8.360 nan 0.000 0.489 2326 V N 0.603 120.495 119.914 -0.037 0.000 2.287 2326 V HA -0.299 3.822 4.120 0.000 0.000 0.248 2326 V C 2.321 178.371 176.094 -0.074 0.000 1.053 2326 V CA 2.103 64.358 62.300 -0.074 0.000 1.027 2326 V CB -0.501 31.351 31.823 0.048 0.000 0.646 2326 V HN 0.299 nan 8.190 nan 0.000 0.447 2327 S N -0.170 115.511 115.700 -0.031 0.000 2.365 2327 S HA -0.311 4.160 4.470 0.000 0.000 0.225 2327 S C 2.195 176.770 174.600 -0.040 0.000 1.039 2327 S CA 2.229 60.413 58.200 -0.027 0.000 1.033 2327 S CB -0.352 62.842 63.200 -0.010 0.000 0.887 2327 S HN 0.537 nan 8.310 nan 0.000 0.447 2328 R N 0.993 121.468 120.500 -0.042 0.000 2.105 2328 R HA 0.050 4.390 4.340 0.000 0.000 0.239 2328 R C 2.174 178.433 176.300 -0.068 0.000 1.135 2328 R CA 1.638 57.716 56.100 -0.037 0.000 0.967 2328 R CB -0.897 29.395 30.300 -0.014 0.000 0.861 2328 R HN 0.523 nan 8.270 nan 0.000 0.442 2329 L N -0.588 120.555 121.223 -0.132 0.000 2.093 2329 L HA -0.131 4.209 4.340 0.000 0.000 0.208 2329 L C 2.223 179.030 176.870 -0.106 0.000 1.085 2329 L CA 1.043 55.775 54.840 -0.179 0.000 0.755 2329 L CB -0.343 41.526 42.059 -0.318 0.000 0.904 2329 L HN 0.078 nan 8.230 nan 0.000 0.435 2330 V N -0.388 119.487 119.914 -0.064 0.000 2.427 2330 V HA -0.265 3.856 4.120 0.000 0.000 0.248 2330 V C 2.094 178.187 176.094 -0.001 0.000 1.051 2330 V CA 1.694 64.000 62.300 0.010 0.000 1.048 2330 V CB -0.523 31.302 31.823 0.004 0.000 0.666 2330 V HN 0.429 nan 8.190 nan 0.000 0.456 2331 D N 0.329 120.710 120.400 -0.033 0.000 2.092 2331 D HA -0.174 4.466 4.640 0.000 0.000 0.193 2331 D C 1.915 178.185 176.300 -0.050 0.000 0.994 2331 D CA 1.592 55.565 54.000 -0.046 0.000 0.828 2331 D CB -0.428 40.351 40.800 -0.035 0.000 0.963 2331 D HN 0.392 nan 8.370 nan 0.000 0.450 2332 D N -0.321 120.058 120.400 -0.034 0.000 2.149 2332 D HA -0.179 4.461 4.640 0.000 0.000 0.198 2332 D C 1.938 178.225 176.300 -0.022 0.000 0.990 2332 D CA 0.594 54.577 54.000 -0.028 0.000 0.839 2332 D CB -0.426 40.360 40.800 -0.024 0.000 0.948 2332 D HN 0.277 nan 8.370 nan 0.000 0.460 2333 Y N 1.078 121.266 120.300 -0.185 0.000 2.181 2333 Y HA -0.101 4.449 4.550 0.000 0.000 0.288 2333 Y C 2.130 177.918 175.900 -0.186 0.000 1.146 2333 Y CA 1.298 59.256 58.100 -0.238 0.000 1.164 2333 Y CB -0.524 37.760 38.460 -0.293 0.000 0.982 2333 Y HN -0.108 nan 8.280 nan 0.000 0.515 2334 M N -0.103 119.279 119.600 -0.364 0.000 2.476 2334 M HA -0.110 4.370 4.480 0.000 0.000 0.262 2334 M C 1.335 177.488 176.300 -0.244 0.000 1.079 2334 M CA 1.364 56.408 55.300 -0.426 0.000 1.104 2334 M CB -0.095 32.324 32.600 -0.302 0.000 1.409 2334 M HN 0.093 nan 8.290 nan 0.000 0.467 2335 K N 0.254 120.562 120.400 -0.154 0.000 2.437 2335 K HA 0.058 4.378 4.320 0.000 0.000 0.198 2335 K C 0.143 176.691 176.600 -0.086 0.000 1.024 2335 K CA -0.016 56.212 56.287 -0.099 0.000 1.148 2335 K CB 0.392 32.855 32.500 -0.061 0.000 0.860 2335 K HN 0.032 nan 8.250 nan 0.000 0.515 2336 K N -0.517 119.813 120.400 -0.117 0.000 3.407 2336 K HA -0.236 4.084 4.320 0.000 0.000 0.312 2336 K C 0.363 176.933 176.600 -0.051 0.000 1.302 2336 K CA 1.056 57.286 56.287 -0.095 0.000 0.931 2336 K CB -1.675 30.781 32.500 -0.073 0.000 1.257 2336 K HN 0.301 nan 8.250 nan 0.000 0.454 2337 K N 0.580 120.961 120.400 -0.031 0.000 2.283 2337 K HA 0.019 4.339 4.320 0.000 0.000 0.202 2337 K C 1.229 177.839 176.600 0.017 0.000 1.048 2337 K CA 1.381 57.670 56.287 0.005 0.000 0.948 2337 K CB -0.104 32.406 32.500 0.017 0.000 0.742 2337 K HN 0.530 nan 8.250 nan 0.000 0.458 2338 I N -1.910 118.646 120.570 -0.024 0.000 2.610 2338 I HA 0.288 4.458 4.170 0.000 0.000 0.289 2338 I C -1.419 174.602 176.117 -0.159 0.000 1.163 2338 I CA -0.981 60.286 61.300 -0.056 0.000 1.044 2338 I CB 1.875 39.820 38.000 -0.092 0.000 1.251 2338 I HN -0.203 nan 8.210 nan 0.000 0.424 2339 N N 5.253 123.781 118.700 -0.288 0.000 3.229 2339 N HA 0.180 4.920 4.740 0.000 0.000 0.275 2339 N C 1.242 176.419 175.510 -0.555 0.000 1.225 2339 N CA -0.216 52.488 53.050 -0.576 0.000 1.119 2339 N CB 1.697 39.310 38.487 -1.457 0.000 1.392 2339 N HN 0.588 nan 8.380 nan 0.000 0.520 2340 V N 1.271 120.754 119.914 -0.718 0.000 2.324 2340 V HA -0.320 3.800 4.120 0.000 0.000 0.250 2340 V C 2.285 178.102 176.094 -0.462 0.000 1.060 2340 V CA 1.749 63.512 62.300 -0.895 0.000 1.042 2340 V CB -0.410 30.498 31.823 -1.526 0.000 0.650 2340 V HN 0.651 nan 8.190 nan 0.000 0.450 2341 N N 0.267 118.778 118.700 -0.314 0.000 2.348 2341 N HA -0.224 4.516 4.740 0.000 0.000 0.185 2341 N C 1.768 177.374 175.510 0.160 0.000 1.019 2341 N CA 1.644 54.675 53.050 -0.032 0.000 0.880 2341 N CB -0.796 37.763 38.487 0.119 0.000 0.965 2341 N HN 0.584 nan 8.380 nan 0.000 0.437 2342 F N 0.797 120.719 119.950 -0.046 0.000 2.451 2342 F HA 0.067 4.594 4.527 0.000 0.000 0.299 2342 F C 1.945 177.714 175.800 -0.052 0.000 1.101 2342 F CA 0.112 58.100 58.000 -0.020 0.000 1.436 2342 F CB 0.138 39.152 39.000 0.024 0.000 1.074 2342 F HN -0.011 nan 8.300 nan 0.000 0.553 2343 L N -0.249 121.038 121.223 0.107 0.000 2.509 2343 L HA 0.034 4.374 4.340 0.000 0.000 0.222 2343 L C 0.533 177.363 176.870 -0.066 0.000 1.123 2343 L CA 0.073 54.906 54.840 -0.012 0.000 0.856 2343 L CB -0.135 41.938 42.059 0.025 0.000 0.985 2343 L HN -0.189 nan 8.230 nan 0.000 0.456 2344 V N 0.355 120.248 119.914 -0.034 0.000 2.397 2344 V HA 0.016 4.136 4.120 0.000 0.000 0.262 2344 V C 1.214 177.277 176.094 -0.050 0.000 1.047 2344 V CA 0.350 62.621 62.300 -0.048 0.000 1.003 2344 V CB 1.036 32.840 31.823 -0.033 0.000 1.037 2344 V HN 0.193 nan 8.190 nan 0.000 0.480 2345 S N 2.862 118.515 115.700 -0.078 0.000 2.517 2345 S HA 0.144 4.614 4.470 0.000 0.000 0.214 2345 S C 0.615 175.180 174.600 -0.058 0.000 0.991 2345 S CA 0.152 58.305 58.200 -0.079 0.000 0.906 2345 S CB 0.344 63.477 63.200 -0.113 0.000 0.789 2345 S HN 0.850 nan 8.310 nan 0.000 0.513 2346 T N 1.794 116.316 114.554 -0.052 0.000 3.097 2346 T HA 0.340 4.690 4.350 0.000 0.000 0.332 2346 T C -1.376 173.303 174.700 -0.035 0.000 1.269 2346 T CA -0.794 61.281 62.100 -0.040 0.000 1.076 2346 T CB 1.979 70.821 68.868 -0.043 0.000 1.209 2346 T HN -0.086 nan 8.240 nan 0.000 0.474 2347 K N 2.715 123.101 120.400 -0.024 0.000 2.323 2347 K HA 0.773 5.093 4.320 0.000 0.000 0.259 2347 K C -0.841 175.753 176.600 -0.009 0.000 0.947 2347 K CA -0.697 55.580 56.287 -0.018 0.000 0.819 2347 K CB 1.701 34.193 32.500 -0.012 0.000 1.109 2347 K HN 0.409 nan 8.250 nan 0.000 0.429 2348 L N 0.474 121.695 121.223 -0.003 0.000 2.194 2348 L HA 0.556 4.896 4.340 0.000 0.000 0.248 2348 L C 0.350 177.241 176.870 0.035 0.000 1.071 2348 L CA -1.099 53.746 54.840 0.008 0.000 0.901 2348 L CB 1.997 44.056 42.059 -0.001 0.000 1.497 2348 L HN 0.663 nan 8.230 nan 0.000 0.442 2349 T N -2.372 112.203 114.554 0.035 0.000 2.948 2349 T HA 0.326 4.676 4.350 0.000 0.000 0.285 2349 T C 0.537 175.262 174.700 0.041 0.000 1.019 2349 T CA -0.665 61.468 62.100 0.056 0.000 1.013 2349 T CB 1.524 70.408 68.868 0.026 0.000 1.117 2349 T HN 0.441 nan 8.240 nan 0.000 0.533 2350 L N 0.583 121.815 121.223 0.016 0.000 2.191 2350 L HA -0.005 4.336 4.340 0.000 0.000 0.212 2350 L C 1.823 178.647 176.870 -0.076 0.000 1.103 2350 L CA 1.847 56.641 54.840 -0.077 0.000 0.769 2350 L CB -1.057 40.818 42.059 -0.305 0.000 0.908 2350 L HN 0.707 nan 8.230 nan 0.000 0.438 2351 D N -0.657 119.712 120.400 -0.051 0.000 2.219 2351 D HA -0.180 4.461 4.640 0.000 0.000 0.205 2351 D C 1.549 177.835 176.300 -0.023 0.000 0.970 2351 D CA 1.097 55.075 54.000 -0.036 0.000 0.851 2351 D CB 0.032 40.818 40.800 -0.023 0.000 0.943 2351 D HN 0.600 nan 8.370 nan 0.000 0.488 2352 Q N 0.198 119.989 119.800 -0.016 0.000 2.246 2352 Q HA 0.189 4.529 4.340 0.000 0.000 0.202 2352 Q C 1.966 177.965 176.000 -0.001 0.000 0.883 2352 Q CA -0.334 55.467 55.803 -0.004 0.000 0.952 2352 Q CB 0.700 29.438 28.738 0.001 0.000 1.078 2352 Q HN 0.272 nan 8.270 nan 0.000 0.493 2353 I N 1.222 121.777 120.570 -0.024 0.000 2.229 2353 I HA -0.404 3.766 4.170 0.000 0.000 0.250 2353 I C 1.469 177.654 176.117 0.114 0.000 1.096 2353 I CA 1.300 62.584 61.300 -0.027 0.000 1.358 2353 I CB 0.116 38.034 38.000 -0.137 0.000 1.047 2353 I HN 0.313 nan 8.210 nan 0.000 0.422 2354 N N 0.961 119.703 118.700 0.070 0.000 2.364 2354 N HA -0.158 4.582 4.740 0.000 0.000 0.183 2354 N C 1.614 177.211 175.510 0.145 0.000 1.022 2354 N CA 0.856 53.968 53.050 0.103 0.000 0.883 2354 N CB -0.180 38.312 38.487 0.009 0.000 0.965 2354 N HN 0.421 nan 8.380 nan 0.000 0.438 2355 K N 1.399 121.850 120.400 0.086 0.000 2.026 2355 K HA 0.004 4.324 4.320 0.000 0.000 0.208 2355 K C 2.037 178.678 176.600 0.068 0.000 1.048 2355 K CA 0.866 57.190 56.287 0.061 0.000 0.929 2355 K CB -0.693 31.823 32.500 0.027 0.000 0.713 2355 K HN 0.108 nan 8.250 nan 0.000 0.439 2356 A N 0.923 123.775 122.820 0.054 0.000 1.917 2356 A HA -0.171 4.149 4.320 0.000 0.000 0.219 2356 A C 2.158 179.717 177.584 -0.042 0.000 1.182 2356 A CA 1.570 53.589 52.037 -0.030 0.000 0.633 2356 A CB -0.848 18.083 19.000 -0.115 0.000 0.819 2356 A HN 0.216 nan 8.150 nan 0.000 0.448 2357 F N -0.039 119.904 119.950 -0.010 0.000 2.186 2357 F HA -0.091 4.436 4.527 0.000 0.000 0.299 2357 F C 2.405 178.216 175.800 0.018 0.000 1.090 2357 F CA 1.628 59.639 58.000 0.019 0.000 1.307 2357 F CB -0.406 38.613 39.000 0.032 0.000 1.019 2357 F HN 0.308 nan 8.300 nan 0.000 0.489 2358 E N 0.297 120.611 120.200 0.190 0.000 2.077 2358 E HA -0.197 4.153 4.350 0.000 0.000 0.193 2358 E C 2.295 178.930 176.600 0.058 0.000 0.989 2358 E CA 1.130 57.595 56.400 0.108 0.000 0.800 2358 E CB -0.313 29.434 29.700 0.079 0.000 0.746 2358 E HN 0.383 nan 8.360 nan 0.000 0.452 2359 L N 0.639 121.878 121.223 0.028 0.000 2.046 2359 L HA -0.215 4.125 4.340 0.000 0.000 0.208 2359 L C 2.420 179.274 176.870 -0.028 0.000 1.077 2359 L CA 0.893 55.726 54.840 -0.012 0.000 0.747 2359 L CB -0.450 41.588 42.059 -0.034 0.000 0.896 2359 L HN 0.205 nan 8.230 nan 0.000 0.432 2360 L N -1.092 120.115 121.223 -0.026 0.000 1.961 2360 L HA -0.233 4.107 4.340 0.000 0.000 0.210 2360 L C 2.853 179.730 176.870 0.012 0.000 1.072 2360 L CA 1.513 56.335 54.840 -0.029 0.000 0.749 2360 L CB -0.892 41.139 42.059 -0.046 0.000 0.889 2360 L HN 0.256 nan 8.230 nan 0.000 0.432 2361 S N 0.229 115.966 115.700 0.062 0.000 2.393 2361 S HA -0.296 4.174 4.470 0.000 0.000 0.234 2361 S C 2.237 176.876 174.600 0.064 0.000 1.064 2361 S CA 2.397 60.647 58.200 0.084 0.000 1.088 2361 S CB -0.372 62.892 63.200 0.106 0.000 0.939 2361 S HN 0.647 nan 8.310 nan 0.000 0.448 2362 S N 0.020 115.745 115.700 0.042 0.000 2.368 2362 S HA 0.216 4.686 4.470 0.000 0.000 0.225 2362 S C 1.580 176.186 174.600 0.010 0.000 1.030 2362 S CA 1.141 59.366 58.200 0.042 0.000 0.999 2362 S CB -1.099 62.115 63.200 0.024 0.000 0.844 2362 S HN 1.731 nan 8.310 nan 0.000 0.459 2363 G N 0.810 109.542 108.800 -0.113 0.000 2.580 2363 G HA2 -0.051 3.909 3.960 0.000 0.000 0.204 2363 G HA3 -0.051 3.909 3.960 0.000 0.000 0.204 2363 G C -0.531 174.004 174.900 -0.607 0.000 1.107 2363 G CA -0.231 44.628 45.100 -0.401 0.000 0.881 2363 G HN 0.646 nan 8.290 nan 0.000 0.497 2364 Q N -1.334 118.307 119.800 -0.265 0.000 2.501 2364 Q HA 0.731 5.071 4.340 0.000 0.000 0.288 2364 Q C 0.540 176.470 176.000 -0.118 0.000 1.051 2364 Q CA -0.203 55.493 55.803 -0.179 0.000 0.788 2364 Q CB 2.402 31.081 28.738 -0.098 0.000 1.469 2364 Q HN 1.863 nan 8.270 nan 0.000 0.416 2365 G N -0.705 108.037 108.800 -0.097 0.000 2.615 2365 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 2365 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 2365 G C -0.188 174.605 174.900 -0.178 0.000 1.339 2365 G CA -0.171 44.859 45.100 -0.117 0.000 0.884 2365 G HN 0.489 nan 8.290 nan 0.000 0.559 2366 V N -0.654 119.126 119.914 -0.224 0.000 3.161 2366 V HA 0.646 4.766 4.120 0.000 0.000 0.221 2366 V C 0.635 176.625 176.094 -0.173 0.000 1.296 2366 V CA 1.836 63.938 62.300 -0.329 0.000 1.306 2366 V CB 0.872 32.383 31.823 -0.519 0.000 1.171 2366 V HN 1.323 nan 8.190 nan 0.000 0.513 2367 R N 0.517 120.935 120.500 -0.136 0.000 2.725 2367 R HA 0.399 4.739 4.340 0.000 0.000 0.276 2367 R C -1.464 174.786 176.300 -0.084 0.000 1.189 2367 R CA 0.088 56.133 56.100 -0.091 0.000 1.083 2367 R CB 1.211 31.474 30.300 -0.063 0.000 1.262 2367 R HN 0.288 nan 8.270 nan 0.000 0.415 2368 S N 4.966 120.615 115.700 -0.084 0.000 2.586 2368 S HA 0.710 5.180 4.470 0.000 0.000 0.274 2368 S C 0.322 174.881 174.600 -0.069 0.000 1.281 2368 S CA -0.542 57.613 58.200 -0.074 0.000 1.035 2368 S CB 0.559 63.712 63.200 -0.079 0.000 0.962 2368 S HN 0.567 nan 8.310 nan 0.000 0.512 2369 I N -1.191 119.345 120.570 -0.057 0.000 2.934 2369 I HA 0.654 4.824 4.170 0.000 0.000 0.306 2369 I C -1.189 174.901 176.117 -0.044 0.000 1.110 2369 I CA -1.358 59.908 61.300 -0.056 0.000 1.019 2369 I CB 1.948 39.908 38.000 -0.066 0.000 1.227 2369 I HN 0.444 nan 8.210 nan 0.000 0.434 2370 M N 4.317 123.889 119.600 -0.047 0.000 2.364 2370 M HA 0.520 5.000 4.480 0.000 0.000 0.334 2370 M C -1.128 175.132 176.300 -0.067 0.000 1.107 2370 M CA -0.799 54.508 55.300 0.012 0.000 0.988 2370 M CB 2.306 35.006 32.600 0.167 0.000 1.673 2370 M HN 0.359 nan 8.290 nan 0.000 0.441 2371 I N 3.574 124.161 120.570 0.028 0.000 2.330 2371 I HA 0.339 4.509 4.170 0.000 0.000 0.289 2371 I C -0.230 176.007 176.117 0.199 0.000 1.001 2371 I CA -0.582 60.723 61.300 0.008 0.000 1.193 2371 I CB -0.121 37.886 38.000 0.012 0.000 1.345 2371 I HN 0.692 nan 8.210 nan 0.000 0.461 2372 Y N 0.000 120.288 120.300 -0.020 0.000 2.660 2372 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 2372 Y CA 0.000 58.088 58.100 -0.020 0.000 1.940 2372 Y CB 0.000 38.440 38.460 -0.034 0.000 1.050 2372 Y HN 0.000 nan 8.280 nan 0.000 0.758