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 3dyj_1_B DATA FIRST_RESID 1975 DATA SEQUENCE TQACITAASA VSGIIADLDT TIXFATAGTL NREGAETFAD HREGILKTAK DATA SEQUENCE VLVEDTKVLV QNAAGSQEKL AQAAQSSVAT ITRLADVVKL GAASLGAEDP DATA SEQUENCE ETQVVLINAV KDVAKALGDL ISATKAAAGK VGDDPAVWQL KNSAKVXVTN DATA SEQUENCE VTSLLKTVKA VEDEATKGTR ALEATTEHIR QELAVFCSPE PPAKTSTPED DATA SEQUENCE FIRXTKGITX ATAKAVAAGN SCRQEDVIAT ANLSRRAIAD XLRACKEAAF DATA SEQUENCE HPEVAPDVRL RALHYGRECA NGYLELLDHV LLTLQKPNPD LKQQLTGHSK DATA SEQUENCE RVAGSVTELI QAAEAXK 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 1975 T HA 0.000 nan 4.350 nan 0.000 0.228 1975 T C 0.000 174.694 174.700 -0.010 0.000 1.109 1975 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 1975 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 1976 Q N 2.489 122.284 119.800 -0.009 0.000 2.096 1976 Q HA 0.144 4.484 4.340 0.001 0.000 0.204 1976 Q C 2.179 178.174 176.000 -0.007 0.000 0.982 1976 Q CA 2.603 58.402 55.803 -0.007 0.000 0.850 1976 Q CB -0.712 28.022 28.738 -0.006 0.000 0.901 1976 Q HN 0.562 nan 8.270 nan 0.000 0.422 1977 A N -0.487 122.329 122.820 -0.007 0.000 1.908 1977 A HA -0.233 4.088 4.320 0.001 0.000 0.218 1977 A C 2.458 180.038 177.584 -0.007 0.000 1.181 1977 A CA 1.635 53.668 52.037 -0.007 0.000 0.627 1977 A CB -1.219 17.777 19.000 -0.006 0.000 0.818 1977 A HN 0.618 nan 8.150 nan 0.000 0.445 1978 C N -0.938 118.356 119.300 -0.009 0.000 2.429 1978 C HA -0.066 4.395 4.460 0.001 0.000 0.277 1978 C C 2.562 177.546 174.990 -0.010 0.000 1.262 1978 C CA 0.934 59.946 59.018 -0.010 0.000 1.733 1978 C CB -1.380 26.352 27.740 -0.013 0.000 2.010 1978 C HN 0.633 nan 8.230 nan 0.000 0.483 1979 I N 0.612 121.177 120.570 -0.009 0.000 2.179 1979 I HA -0.201 3.969 4.170 0.001 0.000 0.242 1979 I C 2.591 178.704 176.117 -0.007 0.000 1.088 1979 I CA 1.753 63.048 61.300 -0.008 0.000 1.357 1979 I CB -0.706 37.289 38.000 -0.008 0.000 1.051 1979 I HN 0.295 nan 8.210 nan 0.000 0.409 1980 T N 0.672 115.222 114.554 -0.006 0.000 2.720 1980 T HA -0.186 4.165 4.350 0.001 0.000 0.268 1980 T C 2.020 176.718 174.700 -0.004 0.000 1.037 1980 T CA 1.484 63.581 62.100 -0.005 0.000 1.144 1980 T CB -0.365 68.501 68.868 -0.004 0.000 0.864 1980 T HN 0.477 nan 8.240 nan 0.000 0.444 1981 A N 1.384 124.201 122.820 -0.005 0.000 1.933 1981 A HA 0.155 4.475 4.320 0.001 0.000 0.218 1981 A C 2.647 180.229 177.584 -0.005 0.000 1.175 1981 A CA 1.802 53.837 52.037 -0.005 0.000 0.628 1981 A CB -1.070 17.927 19.000 -0.006 0.000 0.814 1981 A HN 0.508 nan 8.150 nan 0.000 0.444 1982 A N -0.761 122.055 122.820 -0.006 0.000 1.883 1982 A HA -0.143 4.178 4.320 0.001 0.000 0.217 1982 A C 2.500 180.082 177.584 -0.004 0.000 1.186 1982 A CA 2.272 54.306 52.037 -0.005 0.000 0.624 1982 A CB -1.002 17.994 19.000 -0.007 0.000 0.822 1982 A HN 0.558 nan 8.150 nan 0.000 0.444 1983 S N -0.629 115.069 115.700 -0.003 0.000 2.355 1983 S HA -0.018 4.453 4.470 0.001 0.000 0.222 1983 S C 2.217 176.816 174.600 -0.001 0.000 1.031 1983 S CA 1.541 59.740 58.200 -0.002 0.000 0.993 1983 S CB -0.515 62.684 63.200 -0.002 0.000 0.859 1983 S HN 0.831 nan 8.310 nan 0.000 0.453 1984 A N 0.799 123.618 122.820 -0.001 0.000 1.908 1984 A HA -0.042 4.278 4.320 0.001 0.000 0.218 1984 A C 2.332 179.916 177.584 0.000 0.000 1.181 1984 A CA 1.916 53.952 52.037 -0.001 0.000 0.627 1984 A CB -1.082 17.917 19.000 -0.002 0.000 0.818 1984 A HN 0.456 nan 8.150 nan 0.000 0.445 1985 V N -0.024 119.890 119.914 -0.001 0.000 2.358 1985 V HA -0.203 3.917 4.120 0.001 0.000 0.246 1985 V C 2.895 178.990 176.094 0.001 0.000 1.047 1985 V CA 2.282 64.582 62.300 0.000 0.000 1.035 1985 V CB -0.665 31.158 31.823 -0.001 0.000 0.658 1985 V HN 0.754 nan 8.190 nan 0.000 0.452 1986 S N 0.740 116.441 115.700 0.001 0.000 2.382 1986 S HA -0.116 4.354 4.470 0.001 0.000 0.228 1986 S C 2.079 176.681 174.600 0.004 0.000 1.027 1986 S CA 1.782 59.984 58.200 0.002 0.000 0.991 1986 S CB -0.541 62.660 63.200 0.001 0.000 0.823 1986 S HN 0.588 nan 8.310 nan 0.000 0.469 1987 G N 1.501 110.303 108.800 0.004 0.000 2.418 1987 G HA2 -0.085 3.876 3.960 0.001 0.000 0.217 1987 G HA3 -0.085 3.876 3.960 0.001 0.000 0.217 1987 G C 1.426 176.331 174.900 0.008 0.000 1.158 1987 G CA 0.942 46.045 45.100 0.006 0.000 0.771 1987 G HN 0.587 nan 8.290 nan 0.000 0.545 1988 I N 0.494 121.068 120.570 0.006 0.000 2.208 1988 I HA -0.160 4.010 4.170 0.001 0.000 0.245 1988 I C 2.638 178.761 176.117 0.009 0.000 1.097 1988 I CA 0.856 62.160 61.300 0.006 0.000 1.363 1988 I CB -0.178 37.824 38.000 0.003 0.000 1.051 1988 I HN 0.146 nan 8.210 nan 0.000 0.413 1989 I N 0.614 121.189 120.570 0.008 0.000 2.226 1989 I HA -0.281 3.890 4.170 0.001 0.000 0.245 1989 I C 2.771 178.895 176.117 0.012 0.000 1.100 1989 I CA 1.320 62.626 61.300 0.009 0.000 1.374 1989 I CB -0.437 37.568 38.000 0.007 0.000 1.057 1989 I HN 0.184 nan 8.210 nan 0.000 0.413 1990 A N 0.028 122.856 122.820 0.012 0.000 1.933 1990 A HA -0.291 4.029 4.320 0.001 0.000 0.218 1990 A C 2.174 179.772 177.584 0.025 0.000 1.175 1990 A CA 2.094 54.140 52.037 0.015 0.000 0.628 1990 A CB -0.679 18.329 19.000 0.012 0.000 0.814 1990 A HN 0.518 nan 8.150 nan 0.000 0.444 1991 D N -0.094 120.322 120.400 0.026 0.000 2.144 1991 D HA -0.102 4.539 4.640 0.001 0.000 0.200 1991 D C 1.911 178.238 176.300 0.045 0.000 0.978 1991 D CA 1.066 55.089 54.000 0.037 0.000 0.833 1991 D CB -0.040 40.776 40.800 0.026 0.000 0.961 1991 D HN 0.464 nan 8.370 nan 0.000 0.470 1992 L N 0.678 121.920 121.223 0.031 0.000 2.046 1992 L HA -0.156 4.185 4.340 0.001 0.000 0.208 1992 L C 2.231 179.125 176.870 0.040 0.000 1.077 1992 L CA 1.012 55.872 54.840 0.033 0.000 0.747 1992 L CB -0.327 41.745 42.059 0.021 0.000 0.896 1992 L HN -0.065 nan 8.230 nan 0.000 0.432 1993 D N -0.702 119.716 120.400 0.030 0.000 2.178 1993 D HA -0.148 4.492 4.640 0.001 0.000 0.201 1993 D C 2.157 178.473 176.300 0.027 0.000 0.980 1993 D CA 1.435 55.448 54.000 0.021 0.000 0.842 1993 D CB -0.105 40.700 40.800 0.009 0.000 0.948 1993 D HN 0.245 nan 8.370 nan 0.000 0.472 1994 T N 0.220 114.806 114.554 0.053 0.000 2.708 1994 T HA -0.113 4.238 4.350 0.001 0.000 0.266 1994 T C 1.983 176.805 174.700 0.203 0.000 1.037 1994 T CA 1.758 63.914 62.100 0.094 0.000 1.146 1994 T CB -0.423 68.536 68.868 0.151 0.000 0.865 1994 T HN 0.169 nan 8.240 nan 0.000 0.435 1995 T N 2.000 116.673 114.554 0.199 0.000 2.746 1995 T HA 0.055 4.406 4.350 0.001 0.000 0.267 1995 T C 1.278 176.076 174.700 0.164 0.000 1.039 1995 T CA 0.553 62.785 62.100 0.220 0.000 1.142 1995 T CB -0.410 68.522 68.868 0.107 0.000 0.866 1995 T HN 0.296 nan 8.240 nan 0.000 0.444 1999 A N 0.258 123.181 122.820 0.172 0.000 1.855 1999 A HA -0.082 4.239 4.320 0.001 0.000 0.215 1999 A C 1.954 179.571 177.584 0.056 0.000 1.191 1999 A CA 2.538 54.633 52.037 0.097 0.000 0.613 1999 A CB -1.233 17.811 19.000 0.073 0.000 0.829 1999 A HN 0.318 nan 8.150 nan 0.000 0.442 2000 T N 0.572 115.145 114.554 0.032 0.000 2.759 2000 T HA -0.062 4.288 4.350 0.001 0.000 0.269 2000 T C 2.002 176.704 174.700 0.005 0.000 1.042 2000 T CA 1.521 63.626 62.100 0.008 0.000 1.140 2000 T CB -0.388 68.474 68.868 -0.010 0.000 0.864 2000 T HN 0.581 nan 8.240 nan 0.000 0.455 2001 A N 0.425 123.248 122.820 0.004 0.000 2.168 2001 A HA 0.442 4.762 4.320 0.001 0.000 0.215 2001 A C 1.948 179.549 177.584 0.029 0.000 1.152 2001 A CA 1.001 53.040 52.037 0.003 0.000 0.716 2001 A CB -0.840 18.150 19.000 -0.017 0.000 0.794 2001 A HN 0.836 nan 8.150 nan 0.000 0.465 2002 G N -1.214 107.612 108.800 0.042 0.000 2.149 2002 G HA2 -0.252 3.708 3.960 0.001 0.000 0.235 2002 G HA3 -0.252 3.708 3.960 0.001 0.000 0.235 2002 G C 0.701 175.638 174.900 0.060 0.000 1.018 2002 G CA 1.278 46.404 45.100 0.042 0.000 0.728 2002 G HN 1.383 nan 8.290 nan 0.000 0.508 2003 T N -2.840 111.773 114.554 0.099 0.000 3.044 2003 T HA 0.530 4.880 4.350 0.001 0.000 0.260 2003 T C 0.790 175.546 174.700 0.094 0.000 1.019 2003 T CA 0.380 62.552 62.100 0.120 0.000 0.921 2003 T CB 0.537 69.537 68.868 0.220 0.000 1.053 2003 T HN 0.865 nan 8.240 nan 0.000 0.533 2004 L N 3.282 124.556 121.223 0.085 0.000 2.268 2004 L HA 0.522 4.863 4.340 0.001 0.000 0.289 2004 L C -0.838 176.045 176.870 0.021 0.000 1.064 2004 L CA -0.441 54.426 54.840 0.045 0.000 0.824 2004 L CB -0.061 42.038 42.059 0.067 0.000 1.202 2004 L HN 0.190 nan 8.230 nan 0.000 0.433 2005 N N 3.177 121.877 118.700 -0.001 0.000 2.483 2005 N HA 0.512 5.253 4.740 0.001 0.000 0.285 2005 N C -0.825 174.687 175.510 0.003 0.000 1.210 2005 N CA -1.059 51.994 53.050 0.005 0.000 0.931 2005 N CB 0.747 39.235 38.487 0.002 0.000 1.220 2005 N HN 0.470 nan 8.380 nan 0.000 0.542 2006 R N 0.728 121.239 120.500 0.019 0.000 2.585 2006 R HA -0.061 4.279 4.340 0.001 0.000 0.275 2006 R C -0.618 175.693 176.300 0.019 0.000 1.018 2006 R CA 0.510 56.630 56.100 0.033 0.000 1.072 2006 R CB 0.294 30.622 30.300 0.047 0.000 0.953 2006 R HN 0.595 nan 8.270 nan 0.000 0.419 2007 E N 2.969 123.185 120.200 0.027 0.000 2.149 2007 E HA 0.371 4.722 4.350 0.001 0.000 0.255 2007 E C -0.565 176.067 176.600 0.052 0.000 0.888 2007 E CA 0.208 56.618 56.400 0.016 0.000 0.742 2007 E CB 0.999 30.690 29.700 -0.015 0.000 1.164 2007 E HN 0.898 nan 8.360 nan 0.000 0.422 2008 G N 2.322 111.144 108.800 0.038 0.000 2.728 2008 G HA2 -0.191 3.770 3.960 0.001 0.000 0.294 2008 G HA3 -0.191 3.770 3.960 0.001 0.000 0.294 2008 G C 0.502 175.425 174.900 0.038 0.000 1.342 2008 G CA -0.316 44.807 45.100 0.039 0.000 0.866 2008 G HN 0.690 nan 8.290 nan 0.000 0.534 2009 A N -0.531 122.299 122.820 0.017 0.000 2.169 2009 A HA 0.464 4.784 4.320 0.001 0.000 0.212 2009 A C 1.045 178.618 177.584 -0.018 0.000 1.153 2009 A CA 1.752 53.789 52.037 0.001 0.000 0.756 2009 A CB -0.181 18.812 19.000 -0.011 0.000 0.813 2009 A HN 0.774 nan 8.150 nan 0.000 0.471 2010 E N 0.751 120.927 120.200 -0.040 0.000 2.414 2010 E HA 0.269 4.619 4.350 0.001 0.000 0.263 2010 E C 0.515 177.039 176.600 -0.126 0.000 1.000 2010 E CA 0.248 56.541 56.400 -0.179 0.000 0.914 2010 E CB 0.401 29.812 29.700 -0.483 0.000 0.948 2010 E HN 0.254 nan 8.360 nan 0.000 0.444 2011 T N 1.751 116.225 114.554 -0.134 0.000 2.788 2011 T HA 0.076 4.426 4.350 0.001 0.000 0.287 2011 T C 0.979 175.692 174.700 0.022 0.000 1.007 2011 T CA -0.438 61.656 62.100 -0.009 0.000 1.005 2011 T CB 0.184 69.055 68.868 0.005 0.000 1.012 2011 T HN 0.473 nan 8.240 nan 0.000 0.530 2012 F N 2.300 122.278 119.950 0.047 0.000 2.126 2012 F HA -0.023 4.505 4.527 0.001 0.000 0.299 2012 F C 2.408 178.233 175.800 0.041 0.000 1.096 2012 F CA 2.068 60.129 58.000 0.101 0.000 1.255 2012 F CB -0.846 38.196 39.000 0.069 0.000 0.997 2012 F HN 0.702 nan 8.300 nan 0.000 0.479 2013 A N 0.121 123.019 122.820 0.131 0.000 1.917 2013 A HA -0.260 4.061 4.320 0.001 0.000 0.219 2013 A C 1.997 179.514 177.584 -0.113 0.000 1.182 2013 A CA 2.159 54.211 52.037 0.024 0.000 0.633 2013 A CB -1.098 17.934 19.000 0.052 0.000 0.819 2013 A HN 0.473 nan 8.150 nan 0.000 0.448 2014 D N -0.812 119.479 120.400 -0.183 0.000 2.123 2014 D HA -0.154 4.487 4.640 0.001 0.000 0.196 2014 D C 1.746 177.875 176.300 -0.284 0.000 0.992 2014 D CA 1.532 55.377 54.000 -0.259 0.000 0.833 2014 D CB -0.519 40.055 40.800 -0.377 0.000 0.954 2014 D HN 0.612 nan 8.370 nan 0.000 0.455 2015 H N 0.168 119.103 119.070 -0.225 0.000 2.395 2015 H HA 0.029 4.586 4.556 0.001 0.000 0.299 2015 H C 2.194 177.319 175.328 -0.338 0.000 1.070 2015 H CA 0.613 56.491 56.048 -0.283 0.000 1.356 2015 H CB 0.021 29.573 29.762 -0.349 0.000 1.401 2015 H HN 0.085 nan 8.280 nan 0.000 0.524 2016 R N 1.752 122.043 120.500 -0.350 0.000 2.103 2016 R HA -0.164 4.176 4.340 0.001 0.000 0.242 2016 R C 1.626 177.860 176.300 -0.110 0.000 1.142 2016 R CA 1.608 57.557 56.100 -0.251 0.000 0.960 2016 R CB -0.020 30.179 30.300 -0.169 0.000 0.858 2016 R HN 0.477 nan 8.270 nan 0.000 0.439 2017 E N -1.165 118.980 120.200 -0.093 0.000 2.077 2017 E HA -0.112 4.238 4.350 0.001 0.000 0.193 2017 E C 1.950 178.522 176.600 -0.046 0.000 0.989 2017 E CA 1.138 57.504 56.400 -0.056 0.000 0.800 2017 E CB -0.332 29.334 29.700 -0.055 0.000 0.746 2017 E HN 0.572 nan 8.360 nan 0.000 0.452 2018 G N 1.245 110.015 108.800 -0.049 0.000 2.418 2018 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 2018 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 2018 G C 1.603 176.487 174.900 -0.028 0.000 1.158 2018 G CA 0.654 45.737 45.100 -0.028 0.000 0.771 2018 G HN 0.110 nan 8.290 nan 0.000 0.545 2019 I N 0.441 120.984 120.570 -0.044 0.000 2.179 2019 I HA -0.146 4.025 4.170 0.001 0.000 0.242 2019 I C 2.716 178.819 176.117 -0.023 0.000 1.088 2019 I CA 0.772 62.048 61.300 -0.039 0.000 1.357 2019 I CB -0.247 37.717 38.000 -0.059 0.000 1.051 2019 I HN 0.132 nan 8.210 nan 0.000 0.409 2020 L N 0.593 121.802 121.223 -0.023 0.000 2.017 2020 L HA -0.231 4.110 4.340 0.001 0.000 0.208 2020 L C 2.641 179.506 176.870 -0.009 0.000 1.073 2020 L CA 1.521 56.355 54.840 -0.011 0.000 0.745 2020 L CB -0.760 41.294 42.059 -0.008 0.000 0.894 2020 L HN 0.235 nan 8.230 nan 0.000 0.432 2021 K N 0.139 120.531 120.400 -0.013 0.000 2.009 2021 K HA -0.180 4.141 4.320 0.001 0.000 0.210 2021 K C 1.980 178.575 176.600 -0.008 0.000 1.049 2021 K CA 2.135 58.416 56.287 -0.010 0.000 0.929 2021 K CB -0.151 32.341 32.500 -0.013 0.000 0.714 2021 K HN 0.167 nan 8.250 nan 0.000 0.440 2022 T N 0.543 115.091 114.554 -0.010 0.000 2.904 2022 T HA 0.002 4.352 4.350 0.001 0.000 0.267 2022 T C 1.850 176.547 174.700 -0.005 0.000 1.059 2022 T CA 0.929 63.024 62.100 -0.008 0.000 1.137 2022 T CB -0.220 68.642 68.868 -0.010 0.000 0.879 2022 T HN 0.428 nan 8.240 nan 0.000 0.467 2023 A N 2.117 124.934 122.820 -0.005 0.000 1.908 2023 A HA -0.157 4.163 4.320 0.001 0.000 0.218 2023 A C 2.257 179.842 177.584 0.001 0.000 1.181 2023 A CA 1.620 53.656 52.037 -0.001 0.000 0.627 2023 A CB -0.431 18.570 19.000 0.001 0.000 0.818 2023 A HN 0.455 nan 8.150 nan 0.000 0.445 2024 K N -0.498 119.902 120.400 -0.000 0.000 2.057 2024 K HA -0.056 4.265 4.320 0.001 0.000 0.207 2024 K C 1.835 178.435 176.600 0.000 0.000 1.049 2024 K CA 1.343 57.630 56.287 0.001 0.000 0.931 2024 K CB -0.388 32.112 32.500 0.000 0.000 0.714 2024 K HN 0.293 nan 8.250 nan 0.000 0.440 2025 V N 1.637 121.551 119.914 -0.001 0.000 2.332 2025 V HA -0.248 3.873 4.120 0.001 0.000 0.248 2025 V C 2.170 178.264 176.094 -0.000 0.000 1.055 2025 V CA 1.507 63.806 62.300 -0.001 0.000 1.038 2025 V CB -0.414 31.408 31.823 -0.003 0.000 0.651 2025 V HN 0.254 nan 8.190 nan 0.000 0.450 2026 L N -0.146 121.077 121.223 -0.000 0.000 2.093 2026 L HA -0.090 4.250 4.340 0.001 0.000 0.208 2026 L C 2.345 179.217 176.870 0.002 0.000 1.085 2026 L CA 1.694 56.535 54.840 0.001 0.000 0.755 2026 L CB -0.444 41.616 42.059 0.001 0.000 0.904 2026 L HN 0.138 nan 8.230 nan 0.000 0.435 2027 V N -0.521 119.395 119.914 0.003 0.000 2.343 2027 V HA -0.248 3.872 4.120 0.001 0.000 0.247 2027 V C 2.668 178.765 176.094 0.004 0.000 1.051 2027 V CA 1.692 63.995 62.300 0.005 0.000 1.036 2027 V CB -0.661 31.165 31.823 0.006 0.000 0.654 2027 V HN 0.434 nan 8.190 nan 0.000 0.451 2028 E N 0.319 120.520 120.200 0.003 0.000 2.038 2028 E HA -0.221 4.129 4.350 0.001 0.000 0.195 2028 E C 2.053 178.654 176.600 0.002 0.000 1.000 2028 E CA 1.570 57.971 56.400 0.002 0.000 0.803 2028 E CB -0.553 29.148 29.700 0.001 0.000 0.750 2028 E HN 0.595 nan 8.360 nan 0.000 0.448 2029 D N -0.145 120.256 120.400 0.001 0.000 2.172 2029 D HA -0.142 4.498 4.640 0.001 0.000 0.196 2029 D C 1.885 178.186 176.300 0.001 0.000 0.999 2029 D CA 1.466 55.466 54.000 0.000 0.000 0.856 2029 D CB -0.527 40.273 40.800 -0.000 0.000 0.934 2029 D HN 0.182 nan 8.370 nan 0.000 0.453 2030 T N 0.616 115.172 114.554 0.002 0.000 2.674 2030 T HA -0.161 4.189 4.350 0.001 0.000 0.265 2030 T C 1.843 176.545 174.700 0.004 0.000 1.039 2030 T CA 1.234 63.337 62.100 0.003 0.000 1.150 2030 T CB -0.048 68.823 68.868 0.005 0.000 0.864 2030 T HN 0.170 nan 8.240 nan 0.000 0.427 2031 K N 0.711 121.114 120.400 0.005 0.000 2.032 2031 K HA -0.111 4.209 4.320 0.001 0.000 0.209 2031 K C 2.256 178.858 176.600 0.004 0.000 1.048 2031 K CA 1.311 57.602 56.287 0.006 0.000 0.927 2031 K CB -0.396 32.108 32.500 0.006 0.000 0.712 2031 K HN 0.164 nan 8.250 nan 0.000 0.441 2032 V N 1.941 121.856 119.914 0.002 0.000 2.332 2032 V HA -0.269 3.851 4.120 0.001 0.000 0.248 2032 V C 2.443 178.537 176.094 -0.000 0.000 1.055 2032 V CA 1.566 63.867 62.300 0.001 0.000 1.038 2032 V CB -0.380 31.443 31.823 0.000 0.000 0.651 2032 V HN 0.336 nan 8.190 nan 0.000 0.450 2033 L N -0.457 120.766 121.223 -0.001 0.000 1.989 2033 L HA -0.197 4.144 4.340 0.001 0.000 0.211 2033 L C 2.503 179.371 176.870 -0.003 0.000 1.071 2033 L CA 1.589 56.427 54.840 -0.003 0.000 0.749 2033 L CB -0.464 41.593 42.059 -0.003 0.000 0.890 2033 L HN 0.196 nan 8.230 nan 0.000 0.431 2034 V N -0.627 119.287 119.914 -0.000 0.000 2.287 2034 V HA -0.361 3.760 4.120 0.001 0.000 0.248 2034 V C 2.393 178.488 176.094 0.001 0.000 1.053 2034 V CA 1.923 64.223 62.300 0.001 0.000 1.027 2034 V CB -0.628 31.199 31.823 0.006 0.000 0.646 2034 V HN 0.514 nan 8.190 nan 0.000 0.447 2035 Q N -0.216 119.585 119.800 0.003 0.000 2.124 2035 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 2035 Q C 1.920 177.921 176.000 0.000 0.000 0.977 2035 Q CA 1.463 57.268 55.803 0.003 0.000 0.850 2035 Q CB -0.187 28.553 28.738 0.003 0.000 0.901 2035 Q HN 0.593 nan 8.270 nan 0.000 0.429 2036 N N -0.327 118.372 118.700 -0.002 0.000 2.412 2036 N HA 0.052 4.792 4.740 0.001 0.000 0.184 2036 N C 1.157 176.663 175.510 -0.006 0.000 1.101 2036 N CA 0.645 53.693 53.050 -0.003 0.000 0.881 2036 N CB 0.129 38.614 38.487 -0.004 0.000 0.969 2036 N HN 0.196 nan 8.380 nan 0.000 0.459 2037 A N 0.917 123.733 122.820 -0.008 0.000 1.883 2037 A HA 0.052 4.372 4.320 0.001 0.000 0.217 2037 A C 1.356 178.932 177.584 -0.013 0.000 1.186 2037 A CA 1.448 53.477 52.037 -0.013 0.000 0.624 2037 A CB -0.515 18.475 19.000 -0.017 0.000 0.822 2037 A HN 0.231 nan 8.150 nan 0.000 0.444 2038 A N -0.281 122.534 122.820 -0.009 0.000 3.015 2038 A HA 0.567 4.888 4.320 0.001 0.000 0.293 2038 A C 0.540 178.122 177.584 -0.004 0.000 1.572 2038 A CA 0.408 52.441 52.037 -0.007 0.000 1.274 2038 A CB -1.082 17.916 19.000 -0.003 0.000 1.156 2038 A HN 1.368 nan 8.150 nan 0.000 0.562 2039 G N -0.545 108.252 108.800 -0.005 0.000 2.490 2039 G HA2 0.445 4.405 3.960 0.001 0.000 0.308 2039 G HA3 0.445 4.405 3.960 0.001 0.000 0.308 2039 G C -0.605 174.293 174.900 -0.005 0.000 1.286 2039 G CA -0.408 44.689 45.100 -0.004 0.000 0.825 2039 G HN 0.467 nan 8.290 nan 0.000 0.479 2040 S N 0.320 116.018 115.700 -0.004 0.000 2.563 2040 S HA 0.013 4.483 4.470 0.001 0.000 0.294 2040 S C 1.479 176.076 174.600 -0.005 0.000 1.279 2040 S CA 0.365 58.562 58.200 -0.004 0.000 1.069 2040 S CB 1.400 64.598 63.200 -0.003 0.000 0.828 2040 S HN 0.699 nan 8.310 nan 0.000 0.497 2041 Q N 1.543 121.340 119.800 -0.006 0.000 2.217 2041 Q HA -0.244 4.097 4.340 0.001 0.000 0.209 2041 Q C 1.102 177.098 176.000 -0.006 0.000 0.988 2041 Q CA 1.441 57.240 55.803 -0.007 0.000 0.878 2041 Q CB 0.092 28.826 28.738 -0.006 0.000 0.909 2041 Q HN 0.638 nan 8.270 nan 0.000 0.424 2042 E N -0.256 119.941 120.200 -0.005 0.000 2.216 2042 E HA 0.001 4.351 4.350 0.001 0.000 0.192 2042 E C 1.622 178.220 176.600 -0.004 0.000 0.973 2042 E CA 0.438 56.836 56.400 -0.004 0.000 0.851 2042 E CB 0.141 29.839 29.700 -0.004 0.000 0.804 2042 E HN 0.299 nan 8.360 nan 0.000 0.477 2043 K N 0.584 120.982 120.400 -0.004 0.000 2.217 2043 K HA -0.051 4.270 4.320 0.001 0.000 0.202 2043 K C 2.026 178.623 176.600 -0.004 0.000 1.051 2043 K CA 0.295 56.580 56.287 -0.003 0.000 0.952 2043 K CB -0.000 32.498 32.500 -0.003 0.000 0.736 2043 K HN -0.002 nan 8.250 nan 0.000 0.453 2044 L N 1.307 122.527 121.223 -0.005 0.000 2.027 2044 L HA -0.073 4.267 4.340 0.001 0.000 0.206 2044 L C 2.198 179.064 176.870 -0.006 0.000 1.074 2044 L CA 1.776 56.612 54.840 -0.006 0.000 0.745 2044 L CB -0.915 41.139 42.059 -0.008 0.000 0.898 2044 L HN 0.078 nan 8.230 nan 0.000 0.433 2045 A N -0.925 121.892 122.820 -0.006 0.000 1.917 2045 A HA -0.325 3.995 4.320 0.001 0.000 0.219 2045 A C 2.277 179.858 177.584 -0.005 0.000 1.182 2045 A CA 2.093 54.127 52.037 -0.006 0.000 0.633 2045 A CB -0.755 18.241 19.000 -0.005 0.000 0.819 2045 A HN 0.604 nan 8.150 nan 0.000 0.448 2046 Q N -0.308 119.490 119.800 -0.004 0.000 2.079 2046 Q HA 0.044 4.385 4.340 0.001 0.000 0.200 2046 Q C 2.084 178.082 176.000 -0.004 0.000 0.974 2046 Q CA 2.097 57.898 55.803 -0.004 0.000 0.840 2046 Q CB -0.731 28.005 28.738 -0.003 0.000 0.898 2046 Q HN 0.543 nan 8.270 nan 0.000 0.430 2047 A N 0.553 123.371 122.820 -0.004 0.000 1.908 2047 A HA -0.134 4.186 4.320 0.001 0.000 0.218 2047 A C 2.305 179.886 177.584 -0.004 0.000 1.181 2047 A CA 2.243 54.278 52.037 -0.003 0.000 0.627 2047 A CB -1.298 17.700 19.000 -0.004 0.000 0.818 2047 A HN 0.530 nan 8.150 nan 0.000 0.445 2048 A N -1.135 121.682 122.820 -0.005 0.000 1.865 2048 A HA -0.246 4.075 4.320 0.001 0.000 0.217 2048 A C 2.234 179.816 177.584 -0.004 0.000 1.191 2048 A CA 1.913 53.946 52.037 -0.005 0.000 0.623 2048 A CB -0.673 18.323 19.000 -0.006 0.000 0.826 2048 A HN 0.565 nan 8.150 nan 0.000 0.444 2049 Q N 0.214 120.012 119.800 -0.004 0.000 2.077 2049 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 2049 Q C 2.331 178.329 176.000 -0.003 0.000 0.989 2049 Q CA 2.310 58.111 55.803 -0.004 0.000 0.853 2049 Q CB -0.408 28.328 28.738 -0.004 0.000 0.907 2049 Q HN 0.582 nan 8.270 nan 0.000 0.418 2050 S N 0.818 116.516 115.700 -0.003 0.000 2.359 2050 S HA -0.175 4.295 4.470 0.001 0.000 0.224 2050 S C 2.092 176.691 174.600 -0.003 0.000 1.035 2050 S CA 1.683 59.881 58.200 -0.003 0.000 1.018 2050 S CB -0.418 62.781 63.200 -0.003 0.000 0.876 2050 S HN 0.682 nan 8.310 nan 0.000 0.448 2051 S N 1.332 117.030 115.700 -0.003 0.000 2.382 2051 S HA -0.065 4.406 4.470 0.001 0.000 0.228 2051 S C 1.880 176.478 174.600 -0.002 0.000 1.027 2051 S CA 1.245 59.444 58.200 -0.002 0.000 0.991 2051 S CB -0.726 62.472 63.200 -0.002 0.000 0.823 2051 S HN 0.284 nan 8.310 nan 0.000 0.469 2052 V N 2.547 122.459 119.914 -0.003 0.000 2.358 2052 V HA -0.048 4.072 4.120 0.001 0.000 0.246 2052 V C 3.183 179.275 176.094 -0.003 0.000 1.047 2052 V CA 1.540 63.838 62.300 -0.003 0.000 1.035 2052 V CB -1.522 30.299 31.823 -0.003 0.000 0.658 2052 V HN 0.677 nan 8.190 nan 0.000 0.452 2053 A N -0.083 122.735 122.820 -0.003 0.000 1.933 2053 A HA -0.226 4.095 4.320 0.001 0.000 0.218 2053 A C 2.395 179.977 177.584 -0.004 0.000 1.175 2053 A CA 2.531 54.566 52.037 -0.004 0.000 0.628 2053 A CB -0.918 18.080 19.000 -0.004 0.000 0.814 2053 A HN 0.512 nan 8.150 nan 0.000 0.444 2054 T N 0.022 114.574 114.554 -0.004 0.000 2.777 2054 T HA -0.056 4.295 4.350 0.001 0.000 0.266 2054 T C 1.798 176.495 174.700 -0.004 0.000 1.040 2054 T CA 1.156 63.254 62.100 -0.004 0.000 1.141 2054 T CB -0.208 68.658 68.868 -0.003 0.000 0.868 2054 T HN 0.287 nan 8.240 nan 0.000 0.444 2055 I N 1.644 122.212 120.570 -0.003 0.000 2.394 2055 I HA -0.117 4.054 4.170 0.001 0.000 0.251 2055 I C 2.282 178.396 176.117 -0.004 0.000 1.136 2055 I CA 1.340 62.638 61.300 -0.003 0.000 1.425 2055 I CB -1.113 36.886 38.000 -0.001 0.000 1.079 2055 I HN 0.241 nan 8.210 nan 0.000 0.425 2056 T N 1.121 115.672 114.554 -0.005 0.000 2.708 2056 T HA -0.181 4.170 4.350 0.001 0.000 0.266 2056 T C 1.967 176.661 174.700 -0.009 0.000 1.037 2056 T CA 1.289 63.385 62.100 -0.006 0.000 1.146 2056 T CB -0.164 68.701 68.868 -0.005 0.000 0.865 2056 T HN 0.381 nan 8.240 nan 0.000 0.435 2057 R N 0.337 120.832 120.500 -0.009 0.000 2.081 2057 R HA -0.020 4.320 4.340 0.001 0.000 0.235 2057 R C 2.403 178.695 176.300 -0.014 0.000 1.131 2057 R CA 0.976 57.069 56.100 -0.011 0.000 0.960 2057 R CB -0.680 29.615 30.300 -0.008 0.000 0.856 2057 R HN 0.233 nan 8.270 nan 0.000 0.436 2058 L N 1.048 122.264 121.223 -0.012 0.000 1.994 2058 L HA -0.135 4.206 4.340 0.001 0.000 0.208 2058 L C 2.372 179.232 176.870 -0.017 0.000 1.071 2058 L CA 2.048 56.880 54.840 -0.013 0.000 0.745 2058 L CB -0.780 41.275 42.059 -0.008 0.000 0.892 2058 L HN 0.155 nan 8.230 nan 0.000 0.431 2059 A N -0.810 122.002 122.820 -0.013 0.000 1.917 2059 A HA -0.259 4.061 4.320 0.001 0.000 0.219 2059 A C 2.009 179.578 177.584 -0.025 0.000 1.182 2059 A CA 2.112 54.141 52.037 -0.013 0.000 0.633 2059 A CB -0.924 18.072 19.000 -0.007 0.000 0.819 2059 A HN 0.562 nan 8.150 nan 0.000 0.448 2060 D N -0.823 119.560 120.400 -0.028 0.000 2.117 2060 D HA -0.099 4.541 4.640 0.001 0.000 0.198 2060 D C 1.999 178.257 176.300 -0.070 0.000 0.982 2060 D CA 1.412 55.387 54.000 -0.042 0.000 0.828 2060 D CB -0.623 40.158 40.800 -0.031 0.000 0.967 2060 D HN 0.216 nan 8.370 nan 0.000 0.464 2061 V N 0.369 120.247 119.914 -0.061 0.000 2.548 2061 V HA -0.164 3.956 4.120 0.001 0.000 0.249 2061 V C 2.240 178.251 176.094 -0.138 0.000 1.055 2061 V CA 1.097 63.345 62.300 -0.087 0.000 1.065 2061 V CB -0.097 31.708 31.823 -0.030 0.000 0.681 2061 V HN -0.008 nan 8.190 nan 0.000 0.462 2062 V N 0.232 120.096 119.914 -0.085 0.000 2.295 2062 V HA -0.257 3.864 4.120 0.001 0.000 0.246 2062 V C 2.559 178.610 176.094 -0.071 0.000 1.049 2062 V CA 2.457 64.718 62.300 -0.065 0.000 1.024 2062 V CB -0.797 31.015 31.823 -0.018 0.000 0.648 2062 V HN 0.538 nan 8.190 nan 0.000 0.447 2063 K N -0.193 120.166 120.400 -0.068 0.000 2.059 2063 K HA -0.223 4.098 4.320 0.001 0.000 0.212 2063 K C 2.118 178.641 176.600 -0.129 0.000 1.050 2063 K CA 1.732 57.978 56.287 -0.067 0.000 0.927 2063 K CB -0.454 32.013 32.500 -0.055 0.000 0.714 2063 K HN 0.366 nan 8.250 nan 0.000 0.447 2064 L N -0.069 121.008 121.223 -0.243 0.000 2.046 2064 L HA -0.141 4.200 4.340 0.001 0.000 0.208 2064 L C 2.608 179.122 176.870 -0.592 0.000 1.077 2064 L CA 1.397 55.958 54.840 -0.465 0.000 0.747 2064 L CB -0.921 40.737 42.059 -0.668 0.000 0.896 2064 L HN 0.390 nan 8.230 nan 0.000 0.432 2065 G N -0.376 108.127 108.800 -0.494 0.000 2.440 2065 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 2065 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 2065 G C 1.739 176.762 174.900 0.205 0.000 1.154 2065 G CA 0.890 45.886 45.100 -0.173 0.000 0.767 2065 G HN 0.483 nan 8.290 nan 0.000 0.552 2066 A N 1.036 123.921 122.820 0.108 0.000 1.897 2066 A HA 0.372 4.692 4.320 0.001 0.000 0.215 2066 A C 2.815 180.449 177.584 0.085 0.000 1.181 2066 A CA 2.011 54.125 52.037 0.130 0.000 0.620 2066 A CB -0.738 18.306 19.000 0.073 0.000 0.821 2066 A HN 0.781 nan 8.150 nan 0.000 0.443 2067 A N 0.485 123.321 122.820 0.026 0.000 1.940 2067 A HA -0.136 4.184 4.320 0.001 0.000 0.219 2067 A C 2.493 180.112 177.584 0.058 0.000 1.176 2067 A CA 2.391 54.438 52.037 0.017 0.000 0.631 2067 A CB -1.000 17.981 19.000 -0.032 0.000 0.814 2067 A HN 1.069 nan 8.150 nan 0.000 0.446 2068 S N -0.149 115.617 115.700 0.109 0.000 2.447 2068 S HA -0.035 4.435 4.470 0.001 0.000 0.233 2068 S C 1.740 176.440 174.600 0.166 0.000 1.006 2068 S CA 1.229 59.539 58.200 0.184 0.000 0.957 2068 S CB -0.671 62.733 63.200 0.341 0.000 0.773 2068 S HN 0.474 nan 8.310 nan 0.000 0.507 2069 L N 1.178 122.486 121.223 0.141 0.000 2.201 2069 L HA 0.209 4.549 4.340 0.001 0.000 0.212 2069 L C 1.561 178.445 176.870 0.024 0.000 1.105 2069 L CA 0.456 55.322 54.840 0.042 0.000 0.775 2069 L CB -1.532 40.518 42.059 -0.016 0.000 0.913 2069 L HN 0.676 nan 8.230 nan 0.000 0.440 2070 G N -1.051 107.770 108.800 0.036 0.000 2.733 2070 G HA2 -0.128 3.833 3.960 0.001 0.000 0.686 2070 G HA3 -0.128 3.833 3.960 0.001 0.000 0.686 2070 G C 0.375 175.285 174.900 0.018 0.000 1.373 2070 G CA -0.361 44.753 45.100 0.024 0.000 0.838 2070 G HN 0.223 nan 8.290 nan 0.000 0.588 2071 A N 0.218 123.049 122.820 0.019 0.000 2.235 2071 A HA 0.262 4.582 4.320 0.001 0.000 0.208 2071 A C 2.087 179.679 177.584 0.014 0.000 1.172 2071 A CA 1.756 53.806 52.037 0.022 0.000 0.786 2071 A CB -0.258 18.759 19.000 0.028 0.000 0.804 2071 A HN 1.261 nan 8.150 nan 0.000 0.479 2072 E N 0.490 120.694 120.200 0.007 0.000 2.274 2072 E HA -0.134 4.216 4.350 0.001 0.000 0.194 2072 E C -0.463 176.134 176.600 -0.004 0.000 0.996 2072 E CA 1.054 57.455 56.400 0.001 0.000 0.840 2072 E CB -0.291 29.407 29.700 -0.002 0.000 0.772 2072 E HN 0.368 nan 8.360 nan 0.000 0.491 2073 D N 1.387 121.783 120.400 -0.007 0.000 2.456 2073 D HA 0.189 4.830 4.640 0.001 0.000 0.287 2073 D C -1.827 174.470 176.300 -0.005 0.000 1.186 2073 D CA -2.466 51.527 54.000 -0.012 0.000 0.916 2073 D CB 1.284 42.067 40.800 -0.027 0.000 1.029 2073 D HN -0.128 nan 8.370 nan 0.000 0.498 2074 P HA -0.127 nan 4.420 nan 0.000 0.217 2074 P C 1.007 178.311 177.300 0.008 0.000 1.150 2074 P CA 0.828 63.935 63.100 0.012 0.000 0.832 2074 P CB 0.747 32.455 31.700 0.014 0.000 0.787 2075 E N -0.308 119.893 120.200 0.001 0.000 2.118 2075 E HA -0.118 4.232 4.350 0.001 0.000 0.195 2075 E C 2.091 178.690 176.600 -0.002 0.000 0.992 2075 E CA 1.837 58.236 56.400 -0.001 0.000 0.804 2075 E CB -1.282 28.416 29.700 -0.005 0.000 0.741 2075 E HN 0.261 nan 8.360 nan 0.000 0.458 2076 T N 0.410 114.957 114.554 -0.010 0.000 2.896 2076 T HA -0.085 4.266 4.350 0.001 0.000 0.263 2076 T C 1.672 176.371 174.700 -0.002 0.000 1.050 2076 T CA 0.811 62.900 62.100 -0.018 0.000 1.140 2076 T CB -0.110 68.729 68.868 -0.048 0.000 0.877 2076 T HN 0.173 nan 8.240 nan 0.000 0.457 2077 Q N 0.482 120.287 119.800 0.007 0.000 2.061 2077 Q HA -0.096 4.244 4.340 0.001 0.000 0.204 2077 Q C 2.531 178.551 176.000 0.034 0.000 0.984 2077 Q CA 1.289 57.109 55.803 0.029 0.000 0.846 2077 Q CB -0.441 28.317 28.738 0.033 0.000 0.902 2077 Q HN 0.350 nan 8.270 nan 0.000 0.421 2078 V N 0.243 120.172 119.914 0.025 0.000 2.343 2078 V HA -0.224 3.896 4.120 0.001 0.000 0.247 2078 V C 2.283 178.390 176.094 0.022 0.000 1.051 2078 V CA 1.373 63.688 62.300 0.024 0.000 1.036 2078 V CB -0.512 31.321 31.823 0.017 0.000 0.654 2078 V HN 0.188 nan 8.190 nan 0.000 0.451 2079 V N -0.176 119.749 119.914 0.018 0.000 2.282 2079 V HA -0.279 3.842 4.120 0.001 0.000 0.249 2079 V C 2.381 178.493 176.094 0.031 0.000 1.057 2079 V CA 2.291 64.602 62.300 0.019 0.000 1.032 2079 V CB -0.652 31.177 31.823 0.011 0.000 0.645 2079 V HN 0.509 nan 8.190 nan 0.000 0.447 2080 L N -0.333 120.916 121.223 0.043 0.000 2.056 2080 L HA -0.053 4.288 4.340 0.001 0.000 0.207 2080 L C 2.114 179.016 176.870 0.052 0.000 1.078 2080 L CA 1.785 56.664 54.840 0.066 0.000 0.749 2080 L CB -0.431 41.694 42.059 0.111 0.000 0.901 2080 L HN 0.218 nan 8.230 nan 0.000 0.433 2081 I N -0.392 120.205 120.570 0.043 0.000 2.315 2081 I HA -0.235 3.936 4.170 0.001 0.000 0.248 2081 I C 2.131 178.264 176.117 0.027 0.000 1.117 2081 I CA 0.865 62.185 61.300 0.034 0.000 1.404 2081 I CB -0.534 37.487 38.000 0.035 0.000 1.071 2081 I HN 0.317 nan 8.210 nan 0.000 0.419 2082 N N 1.008 119.724 118.700 0.026 0.000 2.223 2082 N HA -0.123 4.617 4.740 0.001 0.000 0.185 2082 N C 1.940 177.463 175.510 0.020 0.000 1.016 2082 N CA 1.479 54.541 53.050 0.020 0.000 0.863 2082 N CB -0.151 38.346 38.487 0.017 0.000 0.983 2082 N HN 0.367 nan 8.380 nan 0.000 0.429 2083 A N 0.505 123.340 122.820 0.025 0.000 1.908 2083 A HA -0.098 4.223 4.320 0.001 0.000 0.218 2083 A C 2.430 180.027 177.584 0.022 0.000 1.181 2083 A CA 1.364 53.417 52.037 0.026 0.000 0.627 2083 A CB -0.809 18.212 19.000 0.034 0.000 0.818 2083 A HN 0.167 nan 8.150 nan 0.000 0.445 2084 V N -0.184 119.743 119.914 0.022 0.000 2.591 2084 V HA -0.144 3.976 4.120 0.001 0.000 0.249 2084 V C 2.375 178.477 176.094 0.012 0.000 1.053 2084 V CA 2.343 64.653 62.300 0.015 0.000 1.068 2084 V CB -0.451 31.379 31.823 0.011 0.000 0.689 2084 V HN 0.682 nan 8.190 nan 0.000 0.462 2085 K N -0.226 120.182 120.400 0.014 0.000 2.074 2085 K HA -0.258 4.062 4.320 0.001 0.000 0.209 2085 K C 1.777 178.384 176.600 0.011 0.000 1.048 2085 K CA 2.254 58.548 56.287 0.012 0.000 0.926 2085 K CB -0.260 32.248 32.500 0.014 0.000 0.713 2085 K HN 0.495 nan 8.250 nan 0.000 0.444 2086 D N 0.175 120.582 120.400 0.012 0.000 2.117 2086 D HA -0.134 4.506 4.640 0.001 0.000 0.197 2086 D C 1.977 178.283 176.300 0.011 0.000 0.987 2086 D CA 1.089 55.096 54.000 0.012 0.000 0.829 2086 D CB -0.177 40.631 40.800 0.013 0.000 0.961 2086 D HN 0.065 nan 8.370 nan 0.000 0.460 2087 V N 1.634 121.554 119.914 0.011 0.000 2.295 2087 V HA -0.257 3.863 4.120 0.001 0.000 0.246 2087 V C 2.607 178.705 176.094 0.007 0.000 1.049 2087 V CA 1.850 64.156 62.300 0.009 0.000 1.024 2087 V CB -0.934 30.895 31.823 0.009 0.000 0.648 2087 V HN 0.177 nan 8.190 nan 0.000 0.447 2088 A N -0.145 122.679 122.820 0.006 0.000 1.883 2088 A HA -0.296 4.025 4.320 0.001 0.000 0.217 2088 A C 2.303 179.890 177.584 0.004 0.000 1.186 2088 A CA 2.355 54.394 52.037 0.005 0.000 0.624 2088 A CB -0.509 18.494 19.000 0.005 0.000 0.822 2088 A HN 0.556 nan 8.150 nan 0.000 0.444 2089 K N -0.536 119.867 120.400 0.005 0.000 2.097 2089 K HA 0.015 4.335 4.320 0.001 0.000 0.205 2089 K C 2.257 178.860 176.600 0.004 0.000 1.050 2089 K CA 1.030 57.320 56.287 0.005 0.000 0.938 2089 K CB -0.285 32.218 32.500 0.006 0.000 0.718 2089 K HN 0.453 nan 8.250 nan 0.000 0.442 2090 A N 1.026 123.850 122.820 0.006 0.000 1.930 2090 A HA -0.133 4.187 4.320 0.001 0.000 0.217 2090 A C 2.040 179.626 177.584 0.004 0.000 1.175 2090 A CA 1.067 53.108 52.037 0.006 0.000 0.627 2090 A CB -0.421 18.584 19.000 0.009 0.000 0.815 2090 A HN 0.233 nan 8.150 nan 0.000 0.443 2091 L N 0.128 121.353 121.223 0.003 0.000 2.093 2091 L HA 0.030 4.370 4.340 0.001 0.000 0.208 2091 L C 2.373 179.242 176.870 -0.002 0.000 1.085 2091 L CA 2.152 56.992 54.840 0.001 0.000 0.755 2091 L CB -1.088 40.971 42.059 0.001 0.000 0.904 2091 L HN 0.294 nan 8.230 nan 0.000 0.435 2092 G N -0.945 107.855 108.800 -0.001 0.000 2.446 2092 G HA2 -0.358 3.603 3.960 0.001 0.000 0.217 2092 G HA3 -0.358 3.603 3.960 0.001 0.000 0.217 2092 G C 1.449 176.346 174.900 -0.006 0.000 1.168 2092 G CA 0.874 45.972 45.100 -0.004 0.000 0.771 2092 G HN 0.523 nan 8.290 nan 0.000 0.551 2093 D N 0.069 120.467 120.400 -0.005 0.000 2.123 2093 D HA -0.120 4.520 4.640 0.001 0.000 0.196 2093 D C 2.481 178.775 176.300 -0.011 0.000 0.992 2093 D CA 1.149 55.144 54.000 -0.007 0.000 0.833 2093 D CB -0.028 40.770 40.800 -0.003 0.000 0.954 2093 D HN 0.220 nan 8.370 nan 0.000 0.455 2094 L N 1.051 122.269 121.223 -0.007 0.000 2.046 2094 L HA -0.090 4.250 4.340 0.001 0.000 0.208 2094 L C 2.291 179.153 176.870 -0.013 0.000 1.077 2094 L CA 1.288 56.123 54.840 -0.009 0.000 0.747 2094 L CB -0.567 41.490 42.059 -0.003 0.000 0.896 2094 L HN 0.073 nan 8.230 nan 0.000 0.432 2095 I N -1.317 119.247 120.570 -0.011 0.000 2.252 2095 I HA -0.263 3.907 4.170 0.001 0.000 0.245 2095 I C 2.651 178.757 176.117 -0.018 0.000 1.102 2095 I CA 1.344 62.636 61.300 -0.013 0.000 1.385 2095 I CB -0.477 37.517 38.000 -0.010 0.000 1.064 2095 I HN 0.331 nan 8.210 nan 0.000 0.414 2096 S N 0.667 116.356 115.700 -0.019 0.000 2.370 2096 S HA -0.223 4.248 4.470 0.001 0.000 0.226 2096 S C 2.188 176.766 174.600 -0.036 0.000 1.033 2096 S CA 1.622 59.807 58.200 -0.025 0.000 1.011 2096 S CB -0.205 62.981 63.200 -0.022 0.000 0.852 2096 S HN 0.486 nan 8.310 nan 0.000 0.457 2097 A N 0.063 122.861 122.820 -0.038 0.000 1.969 2097 A HA -0.002 4.318 4.320 0.001 0.000 0.218 2097 A C 2.319 179.872 177.584 -0.052 0.000 1.169 2097 A CA 1.980 53.984 52.037 -0.055 0.000 0.635 2097 A CB -1.240 17.729 19.000 -0.053 0.000 0.810 2097 A HN 0.579 nan 8.150 nan 0.000 0.445 2098 T N -0.424 114.108 114.554 -0.036 0.000 2.777 2098 T HA -0.107 4.243 4.350 0.001 0.000 0.266 2098 T C 1.985 176.666 174.700 -0.032 0.000 1.040 2098 T CA 1.516 63.597 62.100 -0.031 0.000 1.141 2098 T CB -0.145 68.711 68.868 -0.021 0.000 0.868 2098 T HN 0.569 nan 8.240 nan 0.000 0.444 2099 K N 1.091 121.473 120.400 -0.031 0.000 2.020 2099 K HA -0.120 4.201 4.320 0.001 0.000 0.212 2099 K C 2.481 179.058 176.600 -0.038 0.000 1.050 2099 K CA 1.468 57.737 56.287 -0.030 0.000 0.929 2099 K CB -0.353 32.131 32.500 -0.026 0.000 0.714 2099 K HN 0.281 nan 8.250 nan 0.000 0.443 2100 A N 0.589 123.380 122.820 -0.050 0.000 1.972 2100 A HA -0.077 4.244 4.320 0.001 0.000 0.219 2100 A C 2.114 179.655 177.584 -0.071 0.000 1.169 2100 A CA 1.836 53.834 52.037 -0.064 0.000 0.635 2100 A CB -0.501 18.450 19.000 -0.083 0.000 0.810 2100 A HN 0.485 nan 8.150 nan 0.000 0.446 2101 A N -0.700 122.079 122.820 -0.068 0.000 2.218 2101 A HA 0.579 4.900 4.320 0.001 0.000 0.209 2101 A C 1.311 178.869 177.584 -0.044 0.000 1.168 2101 A CA 0.605 52.602 52.037 -0.066 0.000 0.804 2101 A CB -0.757 18.203 19.000 -0.067 0.000 0.834 2101 A HN 1.038 nan 8.150 nan 0.000 0.482 2102 A N -0.337 122.461 122.820 -0.036 0.000 2.537 2102 A HA 0.422 4.742 4.320 0.001 0.000 0.260 2102 A C 1.679 179.249 177.584 -0.024 0.000 1.082 2102 A CA 0.758 52.780 52.037 -0.026 0.000 0.765 2102 A CB -0.935 18.052 19.000 -0.022 0.000 1.019 2102 A HN 1.938 nan 8.150 nan 0.000 0.507 2103 G N 2.178 110.967 108.800 -0.019 0.000 2.268 2103 G HA2 -0.223 3.738 3.960 0.001 0.000 0.240 2103 G HA3 -0.223 3.738 3.960 0.001 0.000 0.240 2103 G C 0.376 175.267 174.900 -0.016 0.000 1.010 2103 G CA 0.460 45.551 45.100 -0.016 0.000 0.618 2103 G HN 0.752 nan 8.290 nan 0.000 0.516 2104 K N 0.923 121.309 120.400 -0.023 0.000 2.270 2104 K HA 0.639 4.959 4.320 0.001 0.000 0.276 2104 K C 0.618 177.210 176.600 -0.014 0.000 1.023 2104 K CA 0.305 56.577 56.287 -0.024 0.000 0.955 2104 K CB 2.006 34.479 32.500 -0.044 0.000 0.975 2104 K HN 1.050 nan 8.250 nan 0.000 0.471 2105 V N -2.602 117.309 119.914 -0.005 0.000 3.182 2105 V HA 0.837 4.958 4.120 0.001 0.000 0.308 2105 V C 0.597 176.702 176.094 0.019 0.000 1.240 2105 V CA -0.250 62.054 62.300 0.007 0.000 1.063 2105 V CB 1.058 32.885 31.823 0.007 0.000 1.076 2105 V HN 0.915 nan 8.190 nan 0.000 0.446 2106 G N 2.146 110.964 108.800 0.030 0.000 2.523 2106 G HA2 -0.235 3.725 3.960 0.001 0.000 0.271 2106 G HA3 -0.235 3.725 3.960 0.001 0.000 0.271 2106 G C -0.041 174.901 174.900 0.070 0.000 1.146 2106 G CA 1.017 46.142 45.100 0.042 0.000 0.961 2106 G HN 1.979 nan 8.290 nan 0.000 0.549 2107 D N 0.642 121.090 120.400 0.080 0.000 2.615 2107 D HA 0.350 4.991 4.640 0.001 0.000 0.236 2107 D C 0.146 176.530 176.300 0.140 0.000 1.233 2107 D CA 0.199 54.281 54.000 0.137 0.000 0.829 2107 D CB 0.377 41.252 40.800 0.125 0.000 1.024 2107 D HN 0.471 nan 8.370 nan 0.000 0.490 2108 D N 1.836 122.277 120.400 0.069 0.000 2.458 2108 D HA -0.027 4.613 4.640 0.001 0.000 0.243 2108 D C -0.992 175.268 176.300 -0.066 0.000 1.146 2108 D CA -1.247 52.758 54.000 0.008 0.000 0.877 2108 D CB 1.617 42.401 40.800 -0.027 0.000 1.176 2108 D HN 0.024 nan 8.370 nan 0.000 0.461 2109 P HA -0.124 nan 4.420 nan 0.000 0.222 2109 P C 0.969 177.711 177.300 -0.930 0.000 1.147 2109 P CA 0.674 63.431 63.100 -0.571 0.000 0.790 2109 P CB 0.138 31.662 31.700 -0.293 0.000 0.780 2110 A N 0.023 122.570 122.820 -0.456 0.000 2.019 2110 A HA -0.093 4.228 4.320 0.001 0.000 0.219 2110 A C 2.379 179.782 177.584 -0.301 0.000 1.164 2110 A CA 1.458 53.281 52.037 -0.357 0.000 0.644 2110 A CB -1.488 17.394 19.000 -0.197 0.000 0.805 2110 A HN 0.090 nan 8.150 nan 0.000 0.449 2111 V N -0.086 119.687 119.914 -0.234 0.000 2.307 2111 V HA -0.234 3.887 4.120 0.001 0.000 0.245 2111 V C 2.498 178.584 176.094 -0.014 0.000 1.045 2111 V CA 1.695 63.946 62.300 -0.081 0.000 1.024 2111 V CB -1.110 30.718 31.823 0.009 0.000 0.651 2111 V HN 0.983 nan 8.190 nan 0.000 0.449 2112 W N -0.264 121.036 121.300 0.001 0.000 2.476 2112 W HA -0.021 4.640 4.660 0.001 0.000 0.281 2112 W C 1.882 178.402 176.519 0.001 0.000 1.230 2112 W CA 0.464 57.810 57.345 0.001 0.000 1.287 2112 W CB -0.969 28.491 29.460 0.001 0.000 1.108 2112 W HN 0.231 nan 8.180 nan 0.000 0.567 2113 Q N 1.309 120.832 119.800 -0.463 0.000 2.135 2113 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 2113 Q C 2.371 178.315 176.000 -0.094 0.000 0.981 2113 Q CA 1.694 57.299 55.803 -0.329 0.000 0.856 2113 Q CB -0.740 27.664 28.738 -0.558 0.000 0.902 2113 Q HN 0.366 nan 8.270 nan 0.000 0.425 2114 L N 1.343 122.508 121.223 -0.098 0.000 2.017 2114 L HA -0.169 4.171 4.340 0.001 0.000 0.208 2114 L C 2.002 178.881 176.870 0.015 0.000 1.073 2114 L CA 1.861 56.678 54.840 -0.038 0.000 0.745 2114 L CB -0.354 41.679 42.059 -0.044 0.000 0.894 2114 L HN 0.003 nan 8.230 nan 0.000 0.432 2115 K N -0.499 119.933 120.400 0.054 0.000 2.103 2115 K HA -0.155 4.165 4.320 0.001 0.000 0.207 2115 K C 1.914 178.565 176.600 0.084 0.000 1.048 2115 K CA 1.491 57.825 56.287 0.077 0.000 0.930 2115 K CB -0.305 32.261 32.500 0.110 0.000 0.716 2115 K HN 0.353 nan 8.250 nan 0.000 0.444 2116 N N 0.430 119.202 118.700 0.120 0.000 2.120 2116 N HA -0.143 4.598 4.740 0.001 0.000 0.188 2116 N C 1.830 177.379 175.510 0.066 0.000 1.024 2116 N CA 1.197 54.315 53.050 0.114 0.000 0.852 2116 N CB -0.497 38.097 38.487 0.180 0.000 1.003 2116 N HN 0.041 nan 8.380 nan 0.000 0.424 2117 S N 0.214 115.940 115.700 0.043 0.000 2.399 2117 S HA -0.017 4.453 4.470 0.001 0.000 0.231 2117 S C 1.912 176.524 174.600 0.021 0.000 1.022 2117 S CA 1.191 59.404 58.200 0.022 0.000 0.983 2117 S CB -0.207 62.994 63.200 0.001 0.000 0.803 2117 S HN 0.395 nan 8.310 nan 0.000 0.480 2118 A N 1.218 124.052 122.820 0.024 0.000 1.898 2118 A HA -0.067 4.253 4.320 0.001 0.000 0.216 2118 A C 2.052 179.650 177.584 0.024 0.000 1.181 2118 A CA 2.034 54.084 52.037 0.021 0.000 0.620 2118 A CB -0.705 18.308 19.000 0.022 0.000 0.819 2118 A HN 0.568 nan 8.150 nan 0.000 0.442 2119 K N -0.255 120.164 120.400 0.032 0.000 2.057 2119 K HA -0.001 4.320 4.320 0.001 0.000 0.207 2119 K C 0.802 177.417 176.600 0.026 0.000 1.049 2119 K CA 0.950 57.255 56.287 0.030 0.000 0.931 2119 K CB -0.593 31.928 32.500 0.036 0.000 0.714 2119 K HN 0.221 nan 8.250 nan 0.000 0.440 2123 T N 1.126 115.689 114.554 0.016 0.000 2.720 2123 T HA -0.168 4.183 4.350 0.001 0.000 0.268 2123 T C 1.598 176.308 174.700 0.015 0.000 1.037 2123 T CA 2.170 64.280 62.100 0.016 0.000 1.144 2123 T CB -0.320 68.558 68.868 0.017 0.000 0.864 2123 T HN 0.449 nan 8.240 nan 0.000 0.444 2124 N N 0.701 119.410 118.700 0.015 0.000 2.244 2124 N HA -0.064 4.676 4.740 0.001 0.000 0.183 2124 N C 1.943 177.462 175.510 0.015 0.000 1.016 2124 N CA 0.873 53.932 53.050 0.015 0.000 0.866 2124 N CB -0.172 38.324 38.487 0.014 0.000 0.980 2124 N HN 0.225 nan 8.380 nan 0.000 0.430 2125 V N 1.405 121.328 119.914 0.014 0.000 2.307 2125 V HA -0.207 3.913 4.120 0.001 0.000 0.245 2125 V C 2.752 178.855 176.094 0.016 0.000 1.045 2125 V CA 2.211 64.519 62.300 0.013 0.000 1.024 2125 V CB -1.095 30.734 31.823 0.011 0.000 0.651 2125 V HN 0.509 nan 8.190 nan 0.000 0.449 2126 T N -2.611 111.953 114.554 0.016 0.000 2.788 2126 T HA -0.191 4.160 4.350 0.001 0.000 0.268 2126 T C 1.989 176.701 174.700 0.019 0.000 1.044 2126 T CA 1.806 63.916 62.100 0.017 0.000 1.139 2126 T CB -0.492 68.385 68.868 0.015 0.000 0.867 2126 T HN 0.364 nan 8.240 nan 0.000 0.454 2127 S N 1.543 117.254 115.700 0.019 0.000 2.368 2127 S HA -0.006 4.464 4.470 0.001 0.000 0.225 2127 S C 1.845 176.460 174.600 0.026 0.000 1.030 2127 S CA 1.184 59.397 58.200 0.021 0.000 0.999 2127 S CB -0.672 62.539 63.200 0.019 0.000 0.844 2127 S HN 0.449 nan 8.310 nan 0.000 0.459 2128 L N 2.060 123.298 121.223 0.026 0.000 2.013 2128 L HA -0.078 4.262 4.340 0.001 0.000 0.212 2128 L C 1.917 178.811 176.870 0.040 0.000 1.073 2128 L CA 1.739 56.598 54.840 0.032 0.000 0.753 2128 L CB -0.729 41.345 42.059 0.026 0.000 0.890 2128 L HN 0.304 nan 8.230 nan 0.000 0.432 2129 L N -0.894 120.349 121.223 0.033 0.000 2.083 2129 L HA -0.210 4.131 4.340 0.001 0.000 0.209 2129 L C 2.587 179.483 176.870 0.044 0.000 1.083 2129 L CA 1.393 56.256 54.840 0.038 0.000 0.752 2129 L CB -0.650 41.425 42.059 0.027 0.000 0.899 2129 L HN 0.268 nan 8.230 nan 0.000 0.433 2130 K N -0.512 119.909 120.400 0.036 0.000 2.097 2130 K HA -0.115 4.206 4.320 0.001 0.000 0.205 2130 K C 2.126 178.750 176.600 0.041 0.000 1.050 2130 K CA 1.686 57.993 56.287 0.034 0.000 0.938 2130 K CB -0.229 32.286 32.500 0.025 0.000 0.718 2130 K HN 0.237 nan 8.250 nan 0.000 0.442 2131 T N 1.022 115.603 114.554 0.045 0.000 2.737 2131 T HA -0.101 4.249 4.350 0.001 0.000 0.265 2131 T C 1.996 176.744 174.700 0.080 0.000 1.038 2131 T CA 1.116 63.246 62.100 0.050 0.000 1.144 2131 T CB -0.147 68.749 68.868 0.047 0.000 0.866 2131 T HN -0.062 nan 8.240 nan 0.000 0.434 2132 V N 1.707 121.689 119.914 0.114 0.000 2.332 2132 V HA -0.204 3.916 4.120 0.001 0.000 0.248 2132 V C 2.513 178.720 176.094 0.188 0.000 1.055 2132 V CA 1.713 64.137 62.300 0.206 0.000 1.038 2132 V CB -0.547 31.380 31.823 0.174 0.000 0.651 2132 V HN 0.452 nan 8.190 nan 0.000 0.450 2133 K N 0.206 120.673 120.400 0.111 0.000 2.002 2133 K HA -0.205 4.116 4.320 0.001 0.000 0.209 2133 K C 2.243 178.872 176.600 0.048 0.000 1.048 2133 K CA 1.704 58.040 56.287 0.082 0.000 0.930 2133 K CB -0.374 32.158 32.500 0.054 0.000 0.714 2133 K HN 0.415 nan 8.250 nan 0.000 0.438 2134 A N 0.723 123.561 122.820 0.030 0.000 1.908 2134 A HA -0.129 4.192 4.320 0.001 0.000 0.218 2134 A C 2.266 179.833 177.584 -0.028 0.000 1.181 2134 A CA 1.793 53.832 52.037 0.003 0.000 0.627 2134 A CB -0.674 18.329 19.000 0.004 0.000 0.818 2134 A HN 0.205 nan 8.150 nan 0.000 0.445 2135 V N -0.195 119.697 119.914 -0.037 0.000 2.307 2135 V HA -0.245 3.875 4.120 0.001 0.000 0.245 2135 V C 2.521 178.452 176.094 -0.271 0.000 1.045 2135 V CA 2.272 64.485 62.300 -0.145 0.000 1.024 2135 V CB -0.653 31.081 31.823 -0.149 0.000 0.651 2135 V HN 0.771 nan 8.190 nan 0.000 0.449 2136 E N -0.122 119.962 120.200 -0.193 0.000 2.106 2136 E HA -0.243 4.108 4.350 0.001 0.000 0.192 2136 E C 1.811 178.365 176.600 -0.077 0.000 0.984 2136 E CA 1.405 57.707 56.400 -0.162 0.000 0.806 2136 E CB -0.016 29.781 29.700 0.162 0.000 0.750 2136 E HN 0.604 nan 8.360 nan 0.000 0.458 2137 D N 0.420 120.798 120.400 -0.036 0.000 2.097 2137 D HA -0.179 4.462 4.640 0.001 0.000 0.195 2137 D C 1.856 178.128 176.300 -0.046 0.000 0.989 2137 D CA 1.169 55.154 54.000 -0.024 0.000 0.827 2137 D CB -0.276 40.519 40.800 -0.009 0.000 0.966 2137 D HN 0.157 nan 8.370 nan 0.000 0.456 2138 E N 0.623 120.784 120.200 -0.065 0.000 2.077 2138 E HA -0.049 4.301 4.350 0.001 0.000 0.193 2138 E C 1.777 178.326 176.600 -0.085 0.000 0.989 2138 E CA 1.273 57.633 56.400 -0.067 0.000 0.800 2138 E CB -0.290 29.370 29.700 -0.067 0.000 0.746 2138 E HN 0.166 nan 8.360 nan 0.000 0.452 2139 A N -0.537 122.202 122.820 -0.135 0.000 2.168 2139 A HA -0.045 4.275 4.320 0.001 0.000 0.215 2139 A C 1.891 179.419 177.584 -0.093 0.000 1.152 2139 A CA 1.690 53.640 52.037 -0.145 0.000 0.716 2139 A CB -0.456 18.387 19.000 -0.263 0.000 0.794 2139 A HN 0.363 nan 8.150 nan 0.000 0.465 2140 T N -3.091 111.422 114.554 -0.069 0.000 3.091 2140 T HA 0.156 4.507 4.350 0.001 0.000 0.277 2140 T C 1.298 175.983 174.700 -0.025 0.000 0.996 2140 T CA 0.313 62.391 62.100 -0.036 0.000 0.897 2140 T CB -0.065 68.794 68.868 -0.015 0.000 1.109 2140 T HN 0.625 nan 8.240 nan 0.000 0.534 2141 K N 1.485 121.868 120.400 -0.029 0.000 2.103 2141 K HA 0.037 4.357 4.320 0.001 0.000 0.207 2141 K C 2.345 178.935 176.600 -0.017 0.000 1.048 2141 K CA 1.650 57.925 56.287 -0.021 0.000 0.930 2141 K CB -0.972 31.515 32.500 -0.022 0.000 0.716 2141 K HN 0.286 nan 8.250 nan 0.000 0.444 2142 G N 0.908 109.696 108.800 -0.019 0.000 2.394 2142 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 2142 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 2142 G C 1.422 176.313 174.900 -0.014 0.000 1.165 2142 G CA 1.140 46.230 45.100 -0.016 0.000 0.784 2142 G HN 0.339 nan 8.290 nan 0.000 0.535 2143 T N 0.367 114.911 114.554 -0.016 0.000 2.684 2143 T HA -0.113 4.237 4.350 0.001 0.000 0.267 2143 T C 2.437 177.132 174.700 -0.008 0.000 1.036 2143 T CA 1.351 63.442 62.100 -0.014 0.000 1.148 2143 T CB -0.113 68.747 68.868 -0.014 0.000 0.863 2143 T HN 0.201 nan 8.240 nan 0.000 0.436 2144 R N 0.423 120.919 120.500 -0.006 0.000 2.115 2144 R HA 0.078 4.419 4.340 0.001 0.000 0.230 2144 R C 2.598 178.899 176.300 0.000 0.000 1.111 2144 R CA 1.076 57.175 56.100 -0.001 0.000 0.976 2144 R CB -0.328 29.971 30.300 -0.000 0.000 0.870 2144 R HN 0.388 nan 8.270 nan 0.000 0.445 2145 A N 0.500 123.318 122.820 -0.004 0.000 1.873 2145 A HA -0.143 4.178 4.320 0.001 0.000 0.215 2145 A C 1.928 179.513 177.584 0.002 0.000 1.186 2145 A CA 0.960 52.995 52.037 -0.004 0.000 0.616 2145 A CB -0.537 18.458 19.000 -0.008 0.000 0.823 2145 A HN 0.269 nan 8.150 nan 0.000 0.442 2146 L N 0.345 121.569 121.223 0.001 0.000 2.046 2146 L HA -0.163 4.178 4.340 0.001 0.000 0.208 2146 L C 2.211 179.088 176.870 0.012 0.000 1.077 2146 L CA 2.384 57.228 54.840 0.006 0.000 0.747 2146 L CB -0.748 41.307 42.059 -0.006 0.000 0.896 2146 L HN 0.544 nan 8.230 nan 0.000 0.432 2147 E N -0.739 119.465 120.200 0.008 0.000 2.110 2147 E HA -0.207 4.143 4.350 0.001 0.000 0.193 2147 E C 2.180 178.795 176.600 0.026 0.000 0.988 2147 E CA 1.092 57.500 56.400 0.013 0.000 0.804 2147 E CB -0.320 29.385 29.700 0.008 0.000 0.745 2147 E HN 0.631 nan 8.360 nan 0.000 0.458 2148 A N 0.810 123.644 122.820 0.024 0.000 1.902 2148 A HA -0.185 4.135 4.320 0.001 0.000 0.217 2148 A C 2.381 179.999 177.584 0.057 0.000 1.181 2148 A CA 1.845 53.903 52.037 0.034 0.000 0.623 2148 A CB -0.870 18.141 19.000 0.017 0.000 0.818 2148 A HN 0.166 nan 8.150 nan 0.000 0.443 2149 T N 0.170 114.751 114.554 0.046 0.000 2.788 2149 T HA -0.143 4.207 4.350 0.001 0.000 0.268 2149 T C 2.186 176.951 174.700 0.109 0.000 1.044 2149 T CA 2.223 64.365 62.100 0.071 0.000 1.139 2149 T CB -0.598 68.300 68.868 0.049 0.000 0.867 2149 T HN 0.850 nan 8.240 nan 0.000 0.454 2150 T N 0.287 114.889 114.554 0.079 0.000 2.867 2150 T HA -0.093 4.258 4.350 0.001 0.000 0.268 2150 T C 1.828 176.571 174.700 0.072 0.000 1.057 2150 T CA 1.521 63.666 62.100 0.074 0.000 1.136 2150 T CB -0.225 68.669 68.868 0.044 0.000 0.874 2150 T HN 0.336 nan 8.240 nan 0.000 0.466 2151 E N 0.812 121.055 120.200 0.072 0.000 2.072 2151 E HA -0.173 4.178 4.350 0.001 0.000 0.190 2151 E C 2.145 178.792 176.600 0.079 0.000 0.982 2151 E CA 1.126 57.563 56.400 0.062 0.000 0.803 2151 E CB -0.637 29.094 29.700 0.053 0.000 0.755 2151 E HN 0.732 nan 8.360 nan 0.000 0.453 2152 H N 0.233 119.312 119.070 0.017 0.000 2.319 2152 H HA -0.104 4.452 4.556 0.001 0.000 0.299 2152 H C 2.117 177.452 175.328 0.013 0.000 1.092 2152 H CA 1.954 58.011 56.048 0.014 0.000 1.302 2152 H CB -0.081 29.688 29.762 0.012 0.000 1.373 2152 H HN 0.251 nan 8.280 nan 0.000 0.497 2153 I N 0.473 121.112 120.570 0.115 0.000 2.208 2153 I HA -0.285 3.885 4.170 0.001 0.000 0.245 2153 I C 2.895 179.008 176.117 -0.007 0.000 1.097 2153 I CA 1.080 62.411 61.300 0.051 0.000 1.363 2153 I CB -0.266 37.788 38.000 0.091 0.000 1.051 2153 I HN 0.203 nan 8.210 nan 0.000 0.413 2154 R N 0.428 120.933 120.500 0.009 0.000 2.091 2154 R HA -0.221 4.120 4.340 0.001 0.000 0.238 2154 R C 2.306 178.590 176.300 -0.027 0.000 1.136 2154 R CA 1.570 57.669 56.100 -0.001 0.000 0.959 2154 R CB -0.305 30.002 30.300 0.012 0.000 0.856 2154 R HN 0.537 nan 8.270 nan 0.000 0.437 2155 Q N -0.168 119.591 119.800 -0.068 0.000 2.123 2155 Q HA -0.107 4.233 4.340 0.001 0.000 0.199 2155 Q C 1.842 177.774 176.000 -0.114 0.000 0.966 2155 Q CA 0.736 56.482 55.803 -0.095 0.000 0.845 2155 Q CB 0.134 28.788 28.738 -0.139 0.000 0.907 2155 Q HN 0.259 nan 8.270 nan 0.000 0.439 2156 E N 0.894 120.993 120.200 -0.168 0.000 2.106 2156 E HA -0.155 4.195 4.350 0.001 0.000 0.192 2156 E C 1.968 178.560 176.600 -0.014 0.000 0.984 2156 E CA 0.666 56.996 56.400 -0.117 0.000 0.806 2156 E CB -0.099 29.524 29.700 -0.129 0.000 0.750 2156 E HN 0.207 nan 8.360 nan 0.000 0.458 2157 L N 0.716 121.929 121.223 -0.017 0.000 2.109 2157 L HA -0.005 4.336 4.340 0.001 0.000 0.207 2157 L C 2.162 179.098 176.870 0.110 0.000 1.086 2157 L CA 1.685 56.545 54.840 0.034 0.000 0.760 2157 L CB -0.581 41.472 42.059 -0.009 0.000 0.910 2157 L HN 0.023 nan 8.230 nan 0.000 0.437 2158 A N -1.067 121.782 122.820 0.047 0.000 1.908 2158 A HA -0.162 4.158 4.320 0.001 0.000 0.218 2158 A C 2.243 179.852 177.584 0.043 0.000 1.181 2158 A CA 2.122 54.183 52.037 0.040 0.000 0.627 2158 A CB -1.080 17.925 19.000 0.007 0.000 0.818 2158 A HN 0.289 nan 8.150 nan 0.000 0.445 2159 V N -1.226 118.708 119.914 0.033 0.000 2.307 2159 V HA -0.222 3.899 4.120 0.001 0.000 0.245 2159 V C 2.265 178.384 176.094 0.043 0.000 1.045 2159 V CA 2.006 64.315 62.300 0.015 0.000 1.024 2159 V CB -1.021 30.798 31.823 -0.007 0.000 0.651 2159 V HN 0.640 nan 8.190 nan 0.000 0.449 2160 F N 0.875 120.791 119.950 -0.058 0.000 2.091 2160 F HA -0.291 4.236 4.527 0.001 0.000 0.299 2160 F C 2.269 178.056 175.800 -0.022 0.000 1.103 2160 F CA 2.239 60.212 58.000 -0.046 0.000 1.228 2160 F CB -0.530 38.451 39.000 -0.032 0.000 0.984 2160 F HN 0.158 nan 8.300 nan 0.000 0.477 2161 C N 0.922 120.289 119.300 0.110 0.000 2.522 2161 C HA 0.088 4.549 4.460 0.001 0.000 0.271 2161 C C 1.571 176.538 174.990 -0.038 0.000 1.425 2161 C CA 0.362 59.387 59.018 0.011 0.000 1.751 2161 C CB -2.333 25.477 27.740 0.117 0.000 1.775 2161 C HN 0.561 nan 8.230 nan 0.000 0.557 2162 S N 2.111 117.781 115.700 -0.049 0.000 2.600 2162 S HA 0.198 4.669 4.470 0.001 0.000 0.265 2162 S C -1.356 173.203 174.600 -0.069 0.000 1.325 2162 S CA -0.519 57.652 58.200 -0.048 0.000 1.002 2162 S CB 0.446 63.618 63.200 -0.048 0.000 0.921 2162 S HN 0.207 nan 8.310 nan 0.000 0.554 2163 P HA 0.099 nan 4.420 nan 0.000 0.237 2163 P C 0.153 177.411 177.300 -0.070 0.000 1.178 2163 P CA 0.321 63.400 63.100 -0.034 0.000 0.766 2163 P CB -0.230 31.461 31.700 -0.015 0.000 0.876 2164 E N 2.590 122.727 120.200 -0.103 0.000 2.415 2164 E HA 0.066 4.416 4.350 0.001 0.000 0.263 2164 E C -1.842 174.596 176.600 -0.270 0.000 0.995 2164 E CA -1.874 54.441 56.400 -0.142 0.000 0.915 2164 E CB 0.126 29.754 29.700 -0.121 0.000 0.951 2164 E HN 0.143 nan 8.360 nan 0.000 0.449 2165 P HA 0.106 nan 4.420 nan 0.000 0.272 2165 P C -2.475 174.547 177.300 -0.462 0.000 1.230 2165 P CA -1.146 61.649 63.100 -0.509 0.000 0.788 2165 P CB 0.061 31.602 31.700 -0.265 0.000 0.949 2166 P HA 0.057 nan 4.420 nan 0.000 0.273 2166 P C 0.600 177.787 177.300 -0.189 0.000 1.250 2166 P CA -0.158 62.750 63.100 -0.320 0.000 0.793 2166 P CB 0.396 31.924 31.700 -0.287 0.000 1.011 2167 A N 1.600 124.348 122.820 -0.119 0.000 1.902 2167 A HA -0.124 4.197 4.320 0.001 0.000 0.217 2167 A C 1.085 178.629 177.584 -0.067 0.000 1.181 2167 A CA 1.770 53.759 52.037 -0.079 0.000 0.623 2167 A CB -0.707 18.262 19.000 -0.051 0.000 0.818 2167 A HN 0.748 nan 8.150 nan 0.000 0.443 2168 K N -2.411 117.952 120.400 -0.062 0.000 2.367 2168 K HA 0.535 4.856 4.320 0.001 0.000 0.272 2168 K C -0.406 176.166 176.600 -0.046 0.000 1.046 2168 K CA -0.247 56.010 56.287 -0.050 0.000 0.895 2168 K CB 0.654 33.137 32.500 -0.029 0.000 1.512 2168 K HN 0.071 nan 8.250 nan 0.000 0.433 2169 T N -1.820 112.703 114.554 -0.053 0.000 2.862 2169 T HA 0.564 4.914 4.350 0.001 0.000 0.276 2169 T C -0.047 174.675 174.700 0.038 0.000 0.974 2169 T CA -0.584 61.496 62.100 -0.033 0.000 0.966 2169 T CB 1.383 70.123 68.868 -0.213 0.000 1.072 2169 T HN 0.491 nan 8.240 nan 0.000 0.538 2170 S N -0.778 114.991 115.700 0.115 0.000 2.625 2170 S HA 0.702 5.173 4.470 0.001 0.000 0.271 2170 S C -0.671 174.042 174.600 0.188 0.000 1.161 2170 S CA -0.733 57.543 58.200 0.126 0.000 0.820 2170 S CB 1.629 64.885 63.200 0.095 0.000 1.137 2170 S HN 1.224 nan 8.310 nan 0.000 0.470 2171 T N 0.399 115.045 114.554 0.154 0.000 2.928 2171 T HA 0.497 4.847 4.350 0.001 0.000 0.284 2171 T C -2.242 172.556 174.700 0.165 0.000 1.008 2171 T CA -1.715 60.467 62.100 0.138 0.000 1.057 2171 T CB 0.952 69.879 68.868 0.099 0.000 1.018 2171 T HN 0.229 nan 8.240 nan 0.000 0.493 2172 P HA -0.190 nan 4.420 nan 0.000 0.217 2172 P C 1.649 179.032 177.300 0.138 0.000 1.151 2172 P CA 1.161 64.372 63.100 0.186 0.000 0.849 2172 P CB 0.084 31.844 31.700 0.101 0.000 0.787 2173 E N -0.206 120.046 120.200 0.087 0.000 2.072 2173 E HA -0.220 4.131 4.350 0.001 0.000 0.191 2173 E C 1.758 178.402 176.600 0.074 0.000 0.985 2173 E CA 1.366 57.798 56.400 0.054 0.000 0.801 2173 E CB -1.359 28.364 29.700 0.038 0.000 0.750 2173 E HN 0.259 nan 8.360 nan 0.000 0.452 2174 D N 0.708 121.174 120.400 0.110 0.000 2.092 2174 D HA -0.191 4.449 4.640 0.001 0.000 0.193 2174 D C 1.904 178.319 176.300 0.191 0.000 0.994 2174 D CA 1.152 55.226 54.000 0.124 0.000 0.828 2174 D CB -0.525 40.347 40.800 0.120 0.000 0.963 2174 D HN 0.245 nan 8.370 nan 0.000 0.450 2175 F N 0.513 120.491 119.950 0.045 0.000 2.043 2175 F HA -0.271 4.256 4.527 0.001 0.000 0.297 2175 F C 2.298 178.117 175.800 0.033 0.000 1.118 2175 F CA 1.223 59.252 58.000 0.049 0.000 1.202 2175 F CB -0.173 38.867 39.000 0.065 0.000 0.965 2175 F HN -0.010 nan 8.300 nan 0.000 0.482 2176 I N 0.068 120.575 120.570 -0.105 0.000 2.208 2176 I HA -0.269 3.901 4.170 0.001 0.000 0.245 2176 I C 1.860 177.919 176.117 -0.097 0.000 1.097 2176 I CA 0.894 62.054 61.300 -0.233 0.000 1.363 2176 I CB -0.496 37.408 38.000 -0.160 0.000 1.051 2176 I HN 0.100 nan 8.210 nan 0.000 0.413 2180 K N 1.666 122.034 120.400 -0.052 0.000 2.209 2180 K HA 0.066 4.386 4.320 0.001 0.000 0.204 2180 K C 2.277 178.865 176.600 -0.021 0.000 1.048 2180 K CA 1.309 57.574 56.287 -0.036 0.000 0.940 2180 K CB -0.319 32.160 32.500 -0.036 0.000 0.729 2180 K HN 0.392 nan 8.250 nan 0.000 0.451 2181 G N 1.699 110.487 108.800 -0.019 0.000 2.485 2181 G HA2 -0.220 3.740 3.960 0.001 0.000 0.221 2181 G HA3 -0.220 3.740 3.960 0.001 0.000 0.221 2181 G C 1.357 176.235 174.900 -0.036 0.000 1.115 2181 G CA 0.577 45.664 45.100 -0.021 0.000 0.751 2181 G HN 0.103 nan 8.290 nan 0.000 0.567 2182 I N 1.534 122.074 120.570 -0.049 0.000 2.353 2182 I HA -0.037 4.133 4.170 0.001 0.000 0.248 2182 I C 1.842 177.970 176.117 0.018 0.000 1.119 2182 I CA 0.583 61.841 61.300 -0.070 0.000 1.417 2182 I CB -1.686 36.268 38.000 -0.077 0.000 1.078 2182 I HN 0.020 nan 8.210 nan 0.000 0.421 2186 T N 1.201 115.927 114.554 0.287 0.000 2.665 2186 T HA -0.066 4.284 4.350 0.001 0.000 0.268 2186 T C 2.158 176.918 174.700 0.100 0.000 1.035 2186 T CA 2.581 64.820 62.100 0.232 0.000 1.151 2186 T CB -0.514 68.474 68.868 0.200 0.000 0.862 2186 T HN 0.959 nan 8.240 nan 0.000 0.438 2187 A N 1.433 124.302 122.820 0.081 0.000 1.908 2187 A HA -0.157 4.164 4.320 0.001 0.000 0.218 2187 A C 2.189 179.798 177.584 0.042 0.000 1.181 2187 A CA 2.205 54.272 52.037 0.049 0.000 0.627 2187 A CB -0.527 18.497 19.000 0.039 0.000 0.818 2187 A HN 0.411 nan 8.150 nan 0.000 0.445 2188 K N 0.087 120.519 120.400 0.055 0.000 2.025 2188 K HA 0.060 4.381 4.320 0.001 0.000 0.207 2188 K C 2.038 178.659 176.600 0.035 0.000 1.049 2188 K CA 1.641 57.955 56.287 0.044 0.000 0.933 2188 K CB -0.625 31.907 32.500 0.054 0.000 0.714 2188 K HN 0.298 nan 8.250 nan 0.000 0.438 2189 A N 0.219 123.064 122.820 0.041 0.000 1.908 2189 A HA -0.132 4.188 4.320 0.001 0.000 0.218 2189 A C 2.342 179.915 177.584 -0.019 0.000 1.181 2189 A CA 2.003 54.034 52.037 -0.010 0.000 0.627 2189 A CB -0.913 18.035 19.000 -0.086 0.000 0.818 2189 A HN 0.144 nan 8.150 nan 0.000 0.445 2190 V N -0.252 119.659 119.914 -0.005 0.000 2.407 2190 V HA -0.244 3.877 4.120 0.001 0.000 0.248 2190 V C 3.036 179.136 176.094 0.011 0.000 1.055 2190 V CA 1.912 64.215 62.300 0.005 0.000 1.049 2190 V CB -1.173 30.659 31.823 0.015 0.000 0.662 2190 V HN 0.635 nan 8.190 nan 0.000 0.455 2191 A N 0.028 122.855 122.820 0.012 0.000 1.902 2191 A HA -0.095 4.225 4.320 0.001 0.000 0.217 2191 A C 2.392 179.979 177.584 0.006 0.000 1.181 2191 A CA 1.937 53.980 52.037 0.011 0.000 0.623 2191 A CB -0.750 18.258 19.000 0.013 0.000 0.818 2191 A HN 0.575 nan 8.150 nan 0.000 0.443 2192 A N -0.726 122.095 122.820 0.002 0.000 2.067 2192 A HA 0.182 4.502 4.320 0.001 0.000 0.219 2192 A C 2.228 179.806 177.584 -0.010 0.000 1.158 2192 A CA 1.742 53.776 52.037 -0.004 0.000 0.661 2192 A CB -0.977 18.020 19.000 -0.006 0.000 0.801 2192 A HN 0.662 nan 8.150 nan 0.000 0.452 2193 G N -0.504 108.291 108.800 -0.008 0.000 2.411 2193 G HA2 -0.155 3.806 3.960 0.001 0.000 0.213 2193 G HA3 -0.155 3.806 3.960 0.001 0.000 0.213 2193 G C 1.396 176.297 174.900 0.001 0.000 1.166 2193 G CA 0.610 45.705 45.100 -0.009 0.000 0.802 2193 G HN 0.525 nan 8.290 nan 0.000 0.533 2194 N N 0.856 119.562 118.700 0.010 0.000 2.309 2194 N HA -0.107 4.633 4.740 0.001 0.000 0.182 2194 N C 2.463 177.976 175.510 0.005 0.000 1.018 2194 N CA 1.549 54.607 53.050 0.012 0.000 0.876 2194 N CB 0.087 38.584 38.487 0.016 0.000 0.972 2194 N HN 0.476 nan 8.380 nan 0.000 0.434 2195 S N -0.552 115.148 115.700 0.001 0.000 2.475 2195 S HA 0.029 4.499 4.470 0.001 0.000 0.224 2195 S C 1.312 175.909 174.600 -0.005 0.000 1.042 2195 S CA 0.341 58.541 58.200 -0.001 0.000 0.935 2195 S CB -0.040 63.159 63.200 -0.001 0.000 0.801 2195 S HN 0.347 nan 8.310 nan 0.000 0.509 2196 C N 2.003 121.297 119.300 -0.010 0.000 4.326 2196 C HA -0.132 4.329 4.460 0.001 0.000 0.284 2196 C C 0.454 175.435 174.990 -0.015 0.000 1.419 2196 C CA 0.196 59.204 59.018 -0.015 0.000 1.920 2196 C CB -2.811 24.920 27.740 -0.015 0.000 1.306 2196 C HN 0.622 nan 8.230 nan 0.000 0.786 2197 R N 0.675 121.167 120.500 -0.013 0.000 2.267 2197 R HA 0.210 4.550 4.340 0.001 0.000 0.319 2197 R C 1.215 177.506 176.300 -0.016 0.000 1.067 2197 R CA -0.310 55.781 56.100 -0.014 0.000 0.936 2197 R CB 0.575 30.869 30.300 -0.010 0.000 1.006 2197 R HN 0.458 nan 8.270 nan 0.000 0.452 2198 Q N 1.716 121.504 119.800 -0.021 0.000 2.234 2198 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 2198 Q C 1.133 177.122 176.000 -0.017 0.000 0.980 2198 Q CA 1.442 57.232 55.803 -0.022 0.000 0.869 2198 Q CB 0.269 28.989 28.738 -0.030 0.000 0.912 2198 Q HN 0.551 nan 8.270 nan 0.000 0.436 2199 E N 0.758 120.949 120.200 -0.015 0.000 2.072 2199 E HA -0.117 4.234 4.350 0.001 0.000 0.190 2199 E C 1.548 178.143 176.600 -0.007 0.000 0.982 2199 E CA 0.637 57.030 56.400 -0.011 0.000 0.803 2199 E CB -0.025 29.669 29.700 -0.010 0.000 0.755 2199 E HN 0.352 nan 8.360 nan 0.000 0.453 2200 D N 0.458 120.854 120.400 -0.006 0.000 2.149 2200 D HA -0.122 4.518 4.640 0.001 0.000 0.198 2200 D C 2.031 178.330 176.300 -0.002 0.000 0.990 2200 D CA 0.707 54.706 54.000 -0.003 0.000 0.839 2200 D CB -0.063 40.735 40.800 -0.002 0.000 0.948 2200 D HN 0.039 nan 8.370 nan 0.000 0.460 2201 V N 0.792 120.701 119.914 -0.007 0.000 2.488 2201 V HA -0.135 3.986 4.120 0.001 0.000 0.246 2201 V C 2.384 178.475 176.094 -0.005 0.000 1.046 2201 V CA 0.656 62.951 62.300 -0.008 0.000 1.053 2201 V CB -0.215 31.599 31.823 -0.015 0.000 0.679 2201 V HN 0.098 nan 8.190 nan 0.000 0.458 2202 I N 0.741 121.307 120.570 -0.007 0.000 2.286 2202 I HA -0.173 3.998 4.170 0.001 0.000 0.248 2202 I C 2.346 178.462 176.117 -0.003 0.000 1.115 2202 I CA 1.758 63.054 61.300 -0.007 0.000 1.392 2202 I CB -0.302 37.692 38.000 -0.010 0.000 1.065 2202 I HN 0.178 nan 8.210 nan 0.000 0.418 2203 A N -0.807 122.013 122.820 0.000 0.000 1.929 2203 A HA -0.141 4.179 4.320 0.001 0.000 0.216 2203 A C 2.312 179.905 177.584 0.014 0.000 1.176 2203 A CA 2.091 54.130 52.037 0.004 0.000 0.628 2203 A CB -1.249 17.753 19.000 0.005 0.000 0.816 2203 A HN 0.439 nan 8.150 nan 0.000 0.444 2204 T N 0.470 115.035 114.554 0.020 0.000 2.684 2204 T HA -0.078 4.273 4.350 0.001 0.000 0.267 2204 T C 2.245 176.975 174.700 0.050 0.000 1.036 2204 T CA 1.722 63.845 62.100 0.039 0.000 1.148 2204 T CB -0.486 68.398 68.868 0.027 0.000 0.863 2204 T HN 0.592 nan 8.240 nan 0.000 0.436 2205 A N 2.488 125.325 122.820 0.028 0.000 1.883 2205 A HA -0.193 4.128 4.320 0.001 0.000 0.217 2205 A C 2.273 179.864 177.584 0.013 0.000 1.186 2205 A CA 1.736 53.788 52.037 0.026 0.000 0.624 2205 A CB -0.670 18.334 19.000 0.007 0.000 0.822 2205 A HN 0.414 nan 8.150 nan 0.000 0.444 2206 N N -0.322 118.377 118.700 -0.001 0.000 2.106 2206 N HA -0.115 4.625 4.740 0.001 0.000 0.188 2206 N C 1.609 177.111 175.510 -0.012 0.000 1.029 2206 N CA 1.502 54.540 53.050 -0.020 0.000 0.848 2206 N CB -0.622 37.854 38.487 -0.019 0.000 1.007 2206 N HN 0.409 nan 8.380 nan 0.000 0.423 2207 L N 1.016 122.244 121.223 0.008 0.000 2.093 2207 L HA 0.015 4.356 4.340 0.001 0.000 0.208 2207 L C 2.068 178.945 176.870 0.012 0.000 1.085 2207 L CA 1.439 56.285 54.840 0.011 0.000 0.755 2207 L CB -0.674 41.400 42.059 0.025 0.000 0.904 2207 L HN -0.021 nan 8.230 nan 0.000 0.435 2208 S N -0.515 115.217 115.700 0.053 0.000 2.368 2208 S HA -0.159 4.312 4.470 0.001 0.000 0.224 2208 S C 2.071 176.677 174.600 0.010 0.000 1.029 2208 S CA 1.229 59.479 58.200 0.085 0.000 0.988 2208 S CB -0.340 63.028 63.200 0.279 0.000 0.838 2208 S HN 0.485 nan 8.310 nan 0.000 0.462 2209 R N 1.388 121.900 120.500 0.019 0.000 2.081 2209 R HA -0.114 4.226 4.340 0.001 0.000 0.235 2209 R C 2.441 178.741 176.300 0.001 0.000 1.131 2209 R CA 1.728 57.834 56.100 0.010 0.000 0.960 2209 R CB -0.233 30.002 30.300 -0.108 0.000 0.856 2209 R HN 0.337 nan 8.270 nan 0.000 0.436 2210 R N 0.193 120.675 120.500 -0.029 0.000 2.066 2210 R HA -0.033 4.308 4.340 0.001 0.000 0.232 2210 R C 2.154 178.436 176.300 -0.030 0.000 1.131 2210 R CA 1.639 57.727 56.100 -0.020 0.000 0.955 2210 R CB -0.492 29.794 30.300 -0.023 0.000 0.851 2210 R HN 0.253 nan 8.270 nan 0.000 0.432 2211 A N 1.315 124.097 122.820 -0.062 0.000 1.902 2211 A HA -0.099 4.221 4.320 0.001 0.000 0.217 2211 A C 2.204 179.704 177.584 -0.140 0.000 1.181 2211 A CA 1.428 53.404 52.037 -0.102 0.000 0.623 2211 A CB -0.452 18.462 19.000 -0.143 0.000 0.818 2211 A HN 0.367 nan 8.150 nan 0.000 0.443 2212 I N -0.402 120.059 120.570 -0.181 0.000 2.286 2212 I HA -0.163 4.008 4.170 0.001 0.000 0.245 2212 I C 2.965 179.030 176.117 -0.087 0.000 1.104 2212 I CA 1.315 62.504 61.300 -0.185 0.000 1.397 2212 I CB -1.460 36.416 38.000 -0.207 0.000 1.072 2212 I HN 0.367 nan 8.210 nan 0.000 0.417 2213 A N 0.294 123.104 122.820 -0.017 0.000 1.908 2213 A HA -0.178 4.143 4.320 0.001 0.000 0.218 2213 A C 1.240 178.830 177.584 0.010 0.000 1.181 2213 A CA 1.248 53.298 52.037 0.022 0.000 0.627 2213 A CB -0.630 18.433 19.000 0.105 0.000 0.818 2213 A HN 0.321 nan 8.150 nan 0.000 0.445 2217 R N 1.039 121.582 120.500 0.072 0.000 2.066 2217 R HA -0.022 4.319 4.340 0.001 0.000 0.232 2217 R C 2.184 178.515 176.300 0.052 0.000 1.131 2217 R CA 1.766 57.910 56.100 0.072 0.000 0.955 2217 R CB -0.222 30.103 30.300 0.042 0.000 0.851 2217 R HN 0.411 nan 8.270 nan 0.000 0.432 2218 A N 0.521 123.373 122.820 0.054 0.000 1.902 2218 A HA -0.227 4.093 4.320 0.001 0.000 0.217 2218 A C 2.418 179.930 177.584 -0.120 0.000 1.181 2218 A CA 1.595 53.664 52.037 0.052 0.000 0.623 2218 A CB -1.124 17.968 19.000 0.154 0.000 0.818 2218 A HN 0.597 nan 8.150 nan 0.000 0.443 2219 C N -0.269 118.890 119.300 -0.236 0.000 2.388 2219 C HA -0.175 4.286 4.460 0.001 0.000 0.277 2219 C C 2.661 177.488 174.990 -0.272 0.000 1.210 2219 C CA 1.974 60.568 59.018 -0.708 0.000 1.743 2219 C CB -1.136 26.475 27.740 -0.214 0.000 2.047 2219 C HN 0.675 nan 8.230 nan 0.000 0.458 2220 K N 0.138 120.580 120.400 0.070 0.000 2.026 2220 K HA -0.170 4.150 4.320 0.001 0.000 0.208 2220 K C 2.094 178.726 176.600 0.053 0.000 1.048 2220 K CA 2.027 58.343 56.287 0.048 0.000 0.929 2220 K CB -0.326 32.137 32.500 -0.062 0.000 0.713 2220 K HN 0.647 nan 8.250 nan 0.000 0.439 2221 E N -0.163 120.036 120.200 -0.002 0.000 2.070 2221 E HA -0.247 4.103 4.350 0.001 0.000 0.197 2221 E C 1.932 178.574 176.600 0.070 0.000 1.004 2221 E CA 1.450 57.861 56.400 0.018 0.000 0.805 2221 E CB -0.161 29.546 29.700 0.012 0.000 0.744 2221 E HN 0.444 nan 8.360 nan 0.000 0.451 2222 A N 1.104 123.931 122.820 0.011 0.000 1.929 2222 A HA 0.017 4.337 4.320 0.001 0.000 0.216 2222 A C 2.346 179.972 177.584 0.070 0.000 1.176 2222 A CA 1.378 53.447 52.037 0.054 0.000 0.628 2222 A CB -0.473 18.546 19.000 0.032 0.000 0.816 2222 A HN 0.286 nan 8.150 nan 0.000 0.444 2223 A N -1.383 121.435 122.820 -0.003 0.000 1.933 2223 A HA 0.001 4.321 4.320 0.001 0.000 0.218 2223 A C 1.818 179.417 177.584 0.025 0.000 1.175 2223 A CA 1.257 53.302 52.037 0.013 0.000 0.628 2223 A CB -0.670 18.323 19.000 -0.012 0.000 0.814 2223 A HN 0.480 nan 8.150 nan 0.000 0.444 2224 F N -0.653 119.282 119.950 -0.025 0.000 2.811 2224 F HA 0.049 4.576 4.527 0.001 0.000 0.301 2224 F C 1.180 176.996 175.800 0.026 0.000 1.151 2224 F CA 0.011 57.999 58.000 -0.019 0.000 1.412 2224 F CB -0.012 38.951 39.000 -0.061 0.000 1.113 2224 F HN 0.249 nan 8.300 nan 0.000 0.579 2225 H N 2.430 121.561 119.070 0.102 0.000 3.070 2225 H HA -0.002 4.554 4.556 0.001 0.000 0.313 2225 H C -1.737 173.605 175.328 0.023 0.000 0.997 2225 H CA -1.708 54.377 56.048 0.061 0.000 1.438 2225 H CB 1.068 30.860 29.762 0.049 0.000 1.455 2225 H HN -0.006 nan 8.280 nan 0.000 0.575 2226 P HA -0.129 nan 4.420 nan 0.000 0.223 2226 P C 1.125 178.550 177.300 0.207 0.000 1.144 2226 P CA 0.887 64.108 63.100 0.201 0.000 0.783 2226 P CB 0.423 32.193 31.700 0.118 0.000 0.771 2227 E N -0.720 119.659 120.200 0.299 0.000 2.274 2227 E HA -0.020 4.330 4.350 0.001 0.000 0.194 2227 E C 0.474 177.050 176.600 -0.041 0.000 0.996 2227 E CA 0.496 56.881 56.400 -0.025 0.000 0.840 2227 E CB -0.211 29.269 29.700 -0.365 0.000 0.772 2227 E HN 0.130 nan 8.360 nan 0.000 0.491 2228 V N 1.952 121.866 119.914 -0.001 0.000 2.461 2228 V HA 0.255 4.375 4.120 0.001 0.000 0.275 2228 V C 0.435 176.520 176.094 -0.016 0.000 1.047 2228 V CA -0.636 61.659 62.300 -0.008 0.000 0.955 2228 V CB 1.065 32.895 31.823 0.013 0.000 0.988 2228 V HN 0.088 nan 8.190 nan 0.000 0.471 2229 A N 7.188 129.997 122.820 -0.017 0.000 2.498 2229 A HA 0.349 4.669 4.320 0.001 0.000 0.239 2229 A C -1.216 176.344 177.584 -0.040 0.000 1.068 2229 A CA -0.760 51.263 52.037 -0.023 0.000 0.766 2229 A CB -0.099 18.893 19.000 -0.013 0.000 1.003 2229 A HN 0.736 nan 8.150 nan 0.000 0.497 2230 P HA -0.167 nan 4.420 nan 0.000 0.219 2230 P C 0.851 178.119 177.300 -0.054 0.000 1.146 2230 P CA 1.549 64.602 63.100 -0.079 0.000 0.808 2230 P CB 0.054 31.709 31.700 -0.074 0.000 0.779 2231 D N -0.794 119.589 120.400 -0.028 0.000 2.149 2231 D HA -0.087 4.553 4.640 0.001 0.000 0.201 2231 D C 1.748 178.056 176.300 0.014 0.000 0.972 2231 D CA 1.011 55.006 54.000 -0.008 0.000 0.835 2231 D CB -0.883 39.916 40.800 -0.002 0.000 0.966 2231 D HN 0.056 nan 8.370 nan 0.000 0.476 2232 V N 1.214 121.136 119.914 0.014 0.000 2.379 2232 V HA -0.202 3.918 4.120 0.001 0.000 0.245 2232 V C 2.878 179.004 176.094 0.053 0.000 1.044 2232 V CA 1.643 63.969 62.300 0.043 0.000 1.036 2232 V CB -0.780 31.066 31.823 0.038 0.000 0.664 2232 V HN 0.150 nan 8.190 nan 0.000 0.453 2233 R N -0.029 120.469 120.500 -0.003 0.000 2.096 2233 R HA -0.214 4.126 4.340 0.001 0.000 0.240 2233 R C 2.323 178.616 176.300 -0.012 0.000 1.139 2233 R CA 1.918 57.989 56.100 -0.048 0.000 0.952 2233 R CB -0.508 29.684 30.300 -0.180 0.000 0.854 2233 R HN 0.393 nan 8.270 nan 0.000 0.436 2234 L N 1.608 122.825 121.223 -0.011 0.000 1.990 2234 L HA -0.226 4.115 4.340 0.001 0.000 0.213 2234 L C 2.355 179.299 176.870 0.123 0.000 1.072 2234 L CA 2.108 56.963 54.840 0.024 0.000 0.755 2234 L CB -1.176 40.882 42.059 -0.001 0.000 0.889 2234 L HN 0.292 nan 8.230 nan 0.000 0.432 2235 R N -0.756 119.840 120.500 0.161 0.000 2.081 2235 R HA -0.147 4.194 4.340 0.001 0.000 0.235 2235 R C 2.131 178.676 176.300 0.409 0.000 1.131 2235 R CA 1.577 57.859 56.100 0.302 0.000 0.960 2235 R CB -0.252 30.185 30.300 0.228 0.000 0.856 2235 R HN 0.511 nan 8.270 nan 0.000 0.436 2236 A N 0.875 123.875 122.820 0.299 0.000 1.898 2236 A HA -0.088 4.232 4.320 0.001 0.000 0.216 2236 A C 2.192 179.985 177.584 0.349 0.000 1.181 2236 A CA 1.027 53.272 52.037 0.346 0.000 0.620 2236 A CB -0.454 18.694 19.000 0.247 0.000 0.819 2236 A HN 0.324 nan 8.150 nan 0.000 0.442 2237 L N -1.667 119.716 121.223 0.268 0.000 2.056 2237 L HA -0.186 4.154 4.340 0.001 0.000 0.207 2237 L C 2.644 179.734 176.870 0.368 0.000 1.078 2237 L CA 1.761 56.795 54.840 0.322 0.000 0.749 2237 L CB -0.688 41.415 42.059 0.073 0.000 0.901 2237 L HN 0.593 nan 8.230 nan 0.000 0.433 2238 H N -0.623 118.531 119.070 0.139 0.000 2.321 2238 H HA -0.214 4.342 4.556 0.001 0.000 0.300 2238 H C 1.992 177.231 175.328 -0.149 0.000 1.087 2238 H CA 2.057 58.083 56.048 -0.037 0.000 1.319 2238 H CB -0.159 29.506 29.762 -0.161 0.000 1.379 2238 H HN 0.246 nan 8.280 nan 0.000 0.501 2239 Y N -0.639 119.756 120.300 0.158 0.000 2.439 2239 Y HA 0.026 4.576 4.550 0.001 0.000 0.292 2239 Y C 2.680 178.615 175.900 0.058 0.000 1.130 2239 Y CA 0.689 58.836 58.100 0.077 0.000 1.254 2239 Y CB -0.296 38.242 38.460 0.131 0.000 1.000 2239 Y HN 0.343 nan 8.280 nan 0.000 0.554 2240 G N 0.191 109.116 108.800 0.209 0.000 2.421 2240 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 2240 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 2240 G C 1.743 176.509 174.900 -0.223 0.000 1.171 2240 G CA 0.932 46.031 45.100 -0.002 0.000 0.775 2240 G HN 0.306 nan 8.290 nan 0.000 0.543 2241 R N 0.133 120.560 120.500 -0.122 0.000 2.075 2241 R HA -0.054 4.287 4.340 0.001 0.000 0.232 2241 R C 2.429 178.645 176.300 -0.140 0.000 1.126 2241 R CA 1.365 57.387 56.100 -0.130 0.000 0.963 2241 R CB -0.190 30.113 30.300 0.005 0.000 0.858 2241 R HN 0.208 nan 8.270 nan 0.000 0.435 2242 E N 0.440 120.525 120.200 -0.191 0.000 2.058 2242 E HA -0.242 4.109 4.350 0.001 0.000 0.194 2242 E C 2.045 178.637 176.600 -0.013 0.000 0.997 2242 E CA 1.308 57.625 56.400 -0.138 0.000 0.801 2242 E CB -0.753 28.847 29.700 -0.166 0.000 0.746 2242 E HN 0.403 nan 8.360 nan 0.000 0.450 2243 C N 0.782 120.094 119.300 0.020 0.000 2.432 2243 C HA -0.039 4.421 4.460 0.001 0.000 0.277 2243 C C 2.896 177.913 174.990 0.045 0.000 1.249 2243 C CA 1.257 60.307 59.018 0.054 0.000 1.725 2243 C CB -1.035 26.737 27.740 0.053 0.000 2.028 2243 C HN 0.480 nan 8.230 nan 0.000 0.477 2244 A N 0.972 123.772 122.820 -0.033 0.000 1.883 2244 A HA -0.189 4.132 4.320 0.001 0.000 0.217 2244 A C 1.987 179.603 177.584 0.053 0.000 1.186 2244 A CA 2.278 54.302 52.037 -0.021 0.000 0.624 2244 A CB -0.826 18.095 19.000 -0.132 0.000 0.822 2244 A HN 0.719 nan 8.150 nan 0.000 0.444 2245 N N 0.090 118.800 118.700 0.016 0.000 2.120 2245 N HA -0.113 4.627 4.740 0.001 0.000 0.188 2245 N C 1.861 177.410 175.510 0.065 0.000 1.024 2245 N CA 1.536 54.604 53.050 0.031 0.000 0.852 2245 N CB -0.939 37.548 38.487 -0.001 0.000 1.003 2245 N HN 0.479 nan 8.380 nan 0.000 0.424 2246 G N -0.430 108.416 108.800 0.076 0.000 2.442 2246 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 2246 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 2246 G C 1.550 176.525 174.900 0.125 0.000 1.141 2246 G CA 0.589 45.751 45.100 0.102 0.000 0.763 2246 G HN 0.339 nan 8.290 nan 0.000 0.554 2247 Y N 0.921 121.236 120.300 0.025 0.000 2.163 2247 Y HA -0.013 4.537 4.550 0.001 0.000 0.288 2247 Y C 2.729 178.635 175.900 0.009 0.000 1.136 2247 Y CA 1.309 59.419 58.100 0.017 0.000 1.147 2247 Y CB -0.232 38.230 38.460 0.004 0.000 0.987 2247 Y HN 0.103 nan 8.280 nan 0.000 0.509 2248 L N -0.086 121.215 121.223 0.130 0.000 2.043 2248 L HA -0.297 4.044 4.340 0.001 0.000 0.212 2248 L C 2.303 179.161 176.870 -0.021 0.000 1.075 2248 L CA 1.989 56.858 54.840 0.047 0.000 0.752 2248 L CB -0.570 41.525 42.059 0.061 0.000 0.891 2248 L HN 0.275 nan 8.230 nan 0.000 0.432 2249 E N -0.285 119.922 120.200 0.010 0.000 2.110 2249 E HA -0.262 4.089 4.350 0.001 0.000 0.193 2249 E C 2.055 178.568 176.600 -0.145 0.000 0.988 2249 E CA 1.167 57.583 56.400 0.027 0.000 0.804 2249 E CB -0.180 29.605 29.700 0.142 0.000 0.745 2249 E HN 0.280 nan 8.360 nan 0.000 0.458 2250 L N 0.969 122.067 121.223 -0.208 0.000 1.989 2250 L HA -0.191 4.150 4.340 0.001 0.000 0.211 2250 L C 1.976 178.627 176.870 -0.366 0.000 1.071 2250 L CA 1.697 56.274 54.840 -0.439 0.000 0.749 2250 L CB -0.418 41.411 42.059 -0.384 0.000 0.890 2250 L HN 0.131 nan 8.230 nan 0.000 0.431 2251 L N -0.605 120.423 121.223 -0.325 0.000 2.131 2251 L HA -0.197 4.143 4.340 0.001 0.000 0.210 2251 L C 2.242 179.031 176.870 -0.135 0.000 1.092 2251 L CA 1.227 55.938 54.840 -0.216 0.000 0.759 2251 L CB -0.880 41.090 42.059 -0.149 0.000 0.903 2251 L HN 0.325 nan 8.230 nan 0.000 0.435 2252 D N -1.037 119.294 120.400 -0.114 0.000 2.144 2252 D HA -0.202 4.439 4.640 0.001 0.000 0.200 2252 D C 2.006 178.254 176.300 -0.086 0.000 0.978 2252 D CA 1.218 55.175 54.000 -0.071 0.000 0.833 2252 D CB -0.067 40.715 40.800 -0.029 0.000 0.961 2252 D HN 0.385 nan 8.370 nan 0.000 0.470 2253 H N 0.204 119.126 119.070 -0.248 0.000 2.389 2253 H HA -0.038 4.518 4.556 0.000 0.000 0.299 2253 H C 1.957 177.182 175.328 -0.172 0.000 1.081 2253 H CA 1.151 57.053 56.048 -0.243 0.000 1.345 2253 H CB -0.027 29.434 29.762 -0.501 0.000 1.393 2253 H HN -0.118 nan 8.280 nan 0.000 0.520 2254 V N 0.539 120.369 119.914 -0.139 0.000 2.287 2254 V HA -0.276 3.845 4.120 0.001 0.000 0.248 2254 V C 2.587 178.600 176.094 -0.136 0.000 1.053 2254 V CA 1.912 64.137 62.300 -0.126 0.000 1.027 2254 V CB -0.642 31.122 31.823 -0.099 0.000 0.646 2254 V HN 0.411 nan 8.190 nan 0.000 0.447 2255 L N -0.861 120.293 121.223 -0.116 0.000 2.012 2255 L HA -0.212 4.129 4.340 0.001 0.000 0.210 2255 L C 2.484 179.287 176.870 -0.112 0.000 1.073 2255 L CA 1.342 56.128 54.840 -0.090 0.000 0.748 2255 L CB -0.707 41.313 42.059 -0.064 0.000 0.891 2255 L HN 0.339 nan 8.230 nan 0.000 0.431 2256 L N -0.367 120.761 121.223 -0.158 0.000 2.013 2256 L HA -0.247 4.094 4.340 0.001 0.000 0.212 2256 L C 2.456 179.210 176.870 -0.195 0.000 1.073 2256 L CA 2.316 57.048 54.840 -0.180 0.000 0.753 2256 L CB -0.959 40.953 42.059 -0.246 0.000 0.890 2256 L HN 0.201 nan 8.230 nan 0.000 0.432 2257 T N -0.151 114.242 114.554 -0.268 0.000 2.708 2257 T HA -0.153 4.198 4.350 0.001 0.000 0.266 2257 T C 1.983 176.620 174.700 -0.105 0.000 1.037 2257 T CA 1.739 63.720 62.100 -0.198 0.000 1.146 2257 T CB -0.360 68.389 68.868 -0.197 0.000 0.865 2257 T HN 0.326 nan 8.240 nan 0.000 0.435 2258 L N 0.789 121.958 121.223 -0.091 0.000 2.191 2258 L HA -0.099 4.242 4.340 0.001 0.000 0.212 2258 L C 2.842 179.689 176.870 -0.039 0.000 1.103 2258 L CA 1.177 55.985 54.840 -0.054 0.000 0.769 2258 L CB -0.506 41.523 42.059 -0.049 0.000 0.908 2258 L HN 0.315 nan 8.230 nan 0.000 0.438 2259 Q N 0.645 120.416 119.800 -0.048 0.000 2.230 2259 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 2259 Q C 0.507 176.495 176.000 -0.020 0.000 0.963 2259 Q CA 0.999 56.784 55.803 -0.030 0.000 0.866 2259 Q CB 0.498 29.214 28.738 -0.036 0.000 0.931 2259 Q HN 0.194 nan 8.270 nan 0.000 0.452 2260 K N 0.586 120.967 120.400 -0.032 0.000 2.659 2260 K HA 0.189 4.509 4.320 0.001 0.000 0.308 2260 K C -2.848 173.734 176.600 -0.029 0.000 1.342 2260 K CA -1.090 55.186 56.287 -0.019 0.000 1.052 2260 K CB 1.013 33.505 32.500 -0.013 0.000 1.416 2260 K HN -0.096 nan 8.250 nan 0.000 0.524 2261 P HA 0.007 nan 4.420 nan 0.000 0.266 2261 P C -1.222 176.071 177.300 -0.012 0.000 1.195 2261 P CA 0.188 63.273 63.100 -0.025 0.000 0.768 2261 P CB 0.527 32.218 31.700 -0.015 0.000 0.838 2262 N N 1.991 120.686 118.700 -0.008 0.000 2.825 2262 N HA 0.248 4.989 4.740 0.001 0.000 0.253 2262 N C -2.625 172.894 175.510 0.016 0.000 1.426 2262 N CA -1.780 51.273 53.050 0.005 0.000 0.851 2262 N CB 1.546 40.037 38.487 0.006 0.000 1.470 2262 N HN 0.026 nan 8.380 nan 0.000 0.517 2263 P HA -0.086 nan 4.420 nan 0.000 0.218 2263 P C 0.455 177.778 177.300 0.038 0.000 1.149 2263 P CA 1.224 64.340 63.100 0.026 0.000 0.817 2263 P CB 0.301 32.012 31.700 0.020 0.000 0.785 2264 D N -0.088 120.336 120.400 0.040 0.000 2.123 2264 D HA -0.040 4.600 4.640 0.001 0.000 0.200 2264 D C 2.272 178.627 176.300 0.092 0.000 0.976 2264 D CA 0.823 54.855 54.000 0.052 0.000 0.831 2264 D CB -0.438 40.388 40.800 0.043 0.000 0.974 2264 D HN 0.172 nan 8.370 nan 0.000 0.469 2265 L N 0.977 122.261 121.223 0.100 0.000 2.043 2265 L HA -0.215 4.125 4.340 0.001 0.000 0.212 2265 L C 2.481 179.512 176.870 0.268 0.000 1.075 2265 L CA 1.336 56.286 54.840 0.184 0.000 0.752 2265 L CB -0.338 41.727 42.059 0.011 0.000 0.891 2265 L HN -0.036 nan 8.230 nan 0.000 0.432 2266 K N -0.229 120.249 120.400 0.130 0.000 2.032 2266 K HA -0.273 4.048 4.320 0.001 0.000 0.209 2266 K C 2.127 178.784 176.600 0.096 0.000 1.048 2266 K CA 1.769 58.120 56.287 0.107 0.000 0.927 2266 K CB -0.247 32.285 32.500 0.054 0.000 0.712 2266 K HN 0.200 nan 8.250 nan 0.000 0.441 2267 Q N 1.685 121.527 119.800 0.071 0.000 2.181 2267 Q HA -0.215 4.125 4.340 0.001 0.000 0.205 2267 Q C 1.706 177.726 176.000 0.034 0.000 0.980 2267 Q CA 1.735 57.565 55.803 0.044 0.000 0.862 2267 Q CB -0.312 28.445 28.738 0.032 0.000 0.905 2267 Q HN 0.335 nan 8.270 nan 0.000 0.429 2268 Q N -0.362 119.471 119.800 0.054 0.000 2.291 2268 Q HA -0.052 4.288 4.340 0.001 0.000 0.206 2268 Q C 2.017 177.968 176.000 -0.082 0.000 0.976 2268 Q CA 1.110 56.891 55.803 -0.037 0.000 0.875 2268 Q CB -0.093 28.605 28.738 -0.067 0.000 0.927 2268 Q HN 0.462 nan 8.270 nan 0.000 0.450 2269 L N -0.146 121.083 121.223 0.009 0.000 2.127 2269 L HA -0.206 4.134 4.340 0.001 0.000 0.211 2269 L C 2.303 179.190 176.870 0.029 0.000 1.089 2269 L CA 1.234 56.092 54.840 0.030 0.000 0.757 2269 L CB -0.594 41.511 42.059 0.076 0.000 0.899 2269 L HN 0.225 nan 8.230 nan 0.000 0.434 2270 T N -0.595 113.966 114.554 0.011 0.000 2.746 2270 T HA -0.146 4.204 4.350 0.001 0.000 0.267 2270 T C 1.925 176.614 174.700 -0.018 0.000 1.039 2270 T CA 1.315 63.417 62.100 0.002 0.000 1.142 2270 T CB -0.718 68.149 68.868 -0.001 0.000 0.866 2270 T HN 0.554 nan 8.240 nan 0.000 0.444 2271 G N 1.308 110.072 108.800 -0.059 0.000 2.446 2271 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 2271 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 2271 G C 1.401 176.219 174.900 -0.138 0.000 1.168 2271 G CA 0.660 45.689 45.100 -0.119 0.000 0.771 2271 G HN 0.518 nan 8.290 nan 0.000 0.551 2272 H N 0.240 119.237 119.070 -0.120 0.000 2.387 2272 H HA -0.093 4.463 4.556 0.001 0.000 0.299 2272 H C 2.928 178.221 175.328 -0.059 0.000 1.099 2272 H CA 1.589 57.573 56.048 -0.106 0.000 1.315 2272 H CB -0.256 29.413 29.762 -0.156 0.000 1.380 2272 H HN 0.452 nan 8.280 nan 0.000 0.513 2273 S N 0.506 116.250 115.700 0.075 0.000 2.368 2273 S HA -0.107 4.364 4.470 0.001 0.000 0.224 2273 S C 1.995 176.617 174.600 0.037 0.000 1.029 2273 S CA 0.973 59.204 58.200 0.050 0.000 0.988 2273 S CB 0.097 63.319 63.200 0.037 0.000 0.838 2273 S HN 0.352 nan 8.310 nan 0.000 0.462 2274 K N 0.523 120.931 120.400 0.013 0.000 2.103 2274 K HA -0.055 4.266 4.320 0.001 0.000 0.207 2274 K C 2.589 179.194 176.600 0.008 0.000 1.048 2274 K CA 1.271 57.560 56.287 0.004 0.000 0.930 2274 K CB -0.190 32.301 32.500 -0.014 0.000 0.716 2274 K HN 0.334 nan 8.250 nan 0.000 0.444 2275 R N 0.506 121.007 120.500 0.001 0.000 2.066 2275 R HA -0.078 4.262 4.340 0.001 0.000 0.232 2275 R C 2.376 178.705 176.300 0.048 0.000 1.131 2275 R CA 1.167 57.273 56.100 0.010 0.000 0.955 2275 R CB -0.463 29.824 30.300 -0.022 0.000 0.851 2275 R HN 0.014 nan 8.270 nan 0.000 0.432 2276 V N 1.276 121.233 119.914 0.071 0.000 2.287 2276 V HA -0.282 3.838 4.120 0.001 0.000 0.248 2276 V C 2.534 178.677 176.094 0.081 0.000 1.053 2276 V CA 2.017 64.380 62.300 0.105 0.000 1.027 2276 V CB -0.853 31.066 31.823 0.159 0.000 0.646 2276 V HN 0.409 nan 8.190 nan 0.000 0.447 2277 A N 0.567 123.423 122.820 0.059 0.000 1.917 2277 A HA -0.193 4.127 4.320 0.001 0.000 0.219 2277 A C 2.448 180.045 177.584 0.023 0.000 1.182 2277 A CA 2.268 54.326 52.037 0.036 0.000 0.633 2277 A CB -1.410 17.605 19.000 0.024 0.000 0.819 2277 A HN 0.560 nan 8.150 nan 0.000 0.448 2278 G N -0.853 107.962 108.800 0.025 0.000 2.491 2278 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 2278 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 2278 G C 1.865 176.782 174.900 0.027 0.000 1.180 2278 G CA 1.431 46.542 45.100 0.020 0.000 0.774 2278 G HN 0.502 nan 8.290 nan 0.000 0.562 2279 S N -0.290 115.453 115.700 0.071 0.000 2.382 2279 S HA -0.092 4.379 4.470 0.001 0.000 0.228 2279 S C 2.520 177.160 174.600 0.066 0.000 1.027 2279 S CA 1.081 59.350 58.200 0.116 0.000 0.991 2279 S CB -0.223 63.068 63.200 0.150 0.000 0.823 2279 S HN 0.187 nan 8.310 nan 0.000 0.469 2280 V N 1.680 121.618 119.914 0.039 0.000 2.343 2280 V HA -0.194 3.927 4.120 0.001 0.000 0.247 2280 V C 2.494 178.564 176.094 -0.039 0.000 1.051 2280 V CA 2.108 64.410 62.300 0.004 0.000 1.036 2280 V CB -1.299 30.525 31.823 0.003 0.000 0.654 2280 V HN 0.514 nan 8.190 nan 0.000 0.451 2281 T N -0.605 113.924 114.554 -0.040 0.000 2.684 2281 T HA -0.192 4.158 4.350 0.001 0.000 0.267 2281 T C 1.876 176.514 174.700 -0.104 0.000 1.036 2281 T CA 1.481 63.541 62.100 -0.067 0.000 1.148 2281 T CB -0.270 68.566 68.868 -0.054 0.000 0.863 2281 T HN 0.486 nan 8.240 nan 0.000 0.436 2282 E N 0.982 121.099 120.200 -0.138 0.000 2.070 2282 E HA -0.096 4.255 4.350 0.001 0.000 0.197 2282 E C 2.338 178.845 176.600 -0.155 0.000 1.004 2282 E CA 0.927 57.166 56.400 -0.268 0.000 0.805 2282 E CB -0.456 28.891 29.700 -0.588 0.000 0.744 2282 E HN 0.461 nan 8.360 nan 0.000 0.451 2283 L N 0.405 121.600 121.223 -0.047 0.000 2.046 2283 L HA -0.186 4.154 4.340 0.001 0.000 0.208 2283 L C 2.546 179.297 176.870 -0.197 0.000 1.077 2283 L CA 0.888 55.732 54.840 0.008 0.000 0.747 2283 L CB -0.334 41.754 42.059 0.047 0.000 0.896 2283 L HN 0.105 nan 8.230 nan 0.000 0.432 2284 I N -0.835 119.607 120.570 -0.213 0.000 2.202 2284 I HA -0.302 3.868 4.170 0.001 0.000 0.242 2284 I C 2.597 178.621 176.117 -0.155 0.000 1.091 2284 I CA 1.208 62.362 61.300 -0.243 0.000 1.368 2284 I CB -0.334 37.561 38.000 -0.174 0.000 1.058 2284 I HN 0.284 nan 8.210 nan 0.000 0.410 2285 Q N 0.738 120.471 119.800 -0.111 0.000 2.112 2285 Q HA -0.243 4.097 4.340 0.001 0.000 0.206 2285 Q C 2.482 178.459 176.000 -0.039 0.000 0.987 2285 Q CA 1.928 57.686 55.803 -0.076 0.000 0.858 2285 Q CB -0.391 28.296 28.738 -0.084 0.000 0.905 2285 Q HN 0.609 nan 8.270 nan 0.000 0.420 2286 A N 1.137 123.949 122.820 -0.013 0.000 1.883 2286 A HA -0.197 4.123 4.320 0.001 0.000 0.217 2286 A C 2.322 179.986 177.584 0.134 0.000 1.186 2286 A CA 1.778 53.870 52.037 0.092 0.000 0.624 2286 A CB -0.940 18.184 19.000 0.207 0.000 0.822 2286 A HN 0.429 nan 8.150 nan 0.000 0.444 2287 A N -0.699 122.160 122.820 0.065 0.000 1.902 2287 A HA -0.154 4.166 4.320 0.001 0.000 0.217 2287 A C 1.935 179.537 177.584 0.031 0.000 1.181 2287 A CA 2.080 54.154 52.037 0.062 0.000 0.623 2287 A CB -0.486 18.328 19.000 -0.310 0.000 0.818 2287 A HN 0.510 nan 8.150 nan 0.000 0.443 2288 E N 0.080 120.267 120.200 -0.021 0.000 2.110 2288 E HA 0.087 4.437 4.350 0.001 0.000 0.193 2288 E C 1.240 177.842 176.600 0.003 0.000 0.988 2288 E CA 0.759 57.148 56.400 -0.018 0.000 0.804 2288 E CB -0.365 29.314 29.700 -0.035 0.000 0.745 2288 E HN 0.648 nan 8.360 nan 0.000 0.458 2291 K N 0.000 120.403 120.400 0.005 0.000 2.780 2291 K HA 0.000 4.320 4.320 0.001 0.000 0.191 2291 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 2291 K CB 0.000 32.497 32.500 -0.004 0.000 1.064 2291 K HN 0.000 nan 8.250 nan 0.000 0.543