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_A 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 0.000 174.701 174.700 0.002 0.000 1.109 1975 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1975 T CB 0.000 68.870 68.868 0.003 0.000 0.612 1976 Q N 2.524 122.325 119.800 0.002 0.000 2.050 1976 Q HA 0.191 4.532 4.340 0.001 0.000 0.202 1976 Q C 2.275 178.276 176.000 0.001 0.000 0.980 1976 Q CA 2.534 58.337 55.803 0.001 0.000 0.840 1976 Q CB -0.826 27.913 28.738 0.001 0.000 0.898 1976 Q HN 0.586 nan 8.270 nan 0.000 0.424 1977 A N -0.685 122.136 122.820 0.001 0.000 1.940 1977 A HA -0.206 4.115 4.320 0.001 0.000 0.219 1977 A C 2.457 180.041 177.584 -0.000 0.000 1.176 1977 A CA 1.559 53.596 52.037 0.000 0.000 0.631 1977 A CB -1.102 17.898 19.000 0.000 0.000 0.814 1977 A HN 0.591 nan 8.150 nan 0.000 0.446 1978 C N -0.859 118.441 119.300 -0.000 0.000 2.429 1978 C HA -0.050 4.411 4.460 0.001 0.000 0.277 1978 C C 2.549 177.538 174.990 -0.000 0.000 1.262 1978 C CA 0.904 59.921 59.018 -0.001 0.000 1.733 1978 C CB -1.334 26.405 27.740 -0.001 0.000 2.010 1978 C HN 0.638 nan 8.230 nan 0.000 0.483 1979 I N 0.685 121.255 120.570 0.000 0.000 2.163 1979 I HA -0.191 3.980 4.170 0.001 0.000 0.240 1979 I C 2.588 178.705 176.117 0.001 0.000 1.081 1979 I CA 1.712 63.012 61.300 0.001 0.000 1.353 1979 I CB -0.802 37.199 38.000 0.001 0.000 1.054 1979 I HN 0.282 nan 8.210 nan 0.000 0.407 1980 T N 0.752 115.307 114.554 0.001 0.000 2.746 1980 T HA -0.171 4.180 4.350 0.001 0.000 0.267 1980 T C 2.047 176.747 174.700 0.001 0.000 1.039 1980 T CA 1.438 63.539 62.100 0.001 0.000 1.142 1980 T CB -0.348 68.520 68.868 0.001 0.000 0.866 1980 T HN 0.473 nan 8.240 nan 0.000 0.444 1981 A N 1.482 124.302 122.820 0.000 0.000 1.908 1981 A HA 0.104 4.425 4.320 0.001 0.000 0.218 1981 A C 2.657 180.240 177.584 -0.000 0.000 1.181 1981 A CA 1.902 53.939 52.037 -0.000 0.000 0.627 1981 A CB -1.130 17.869 19.000 -0.001 0.000 0.818 1981 A HN 0.513 nan 8.150 nan 0.000 0.445 1982 A N -0.859 121.961 122.820 -0.000 0.000 1.902 1982 A HA -0.122 4.199 4.320 0.001 0.000 0.217 1982 A C 2.492 180.076 177.584 0.000 0.000 1.181 1982 A CA 2.241 54.277 52.037 -0.000 0.000 0.623 1982 A CB -0.998 18.001 19.000 -0.001 0.000 0.818 1982 A HN 0.574 nan 8.150 nan 0.000 0.443 1983 S N -0.490 115.210 115.700 0.001 0.000 2.356 1983 S HA -0.059 4.412 4.470 0.001 0.000 0.223 1983 S C 2.221 176.822 174.600 0.002 0.000 1.032 1983 S CA 1.664 59.865 58.200 0.002 0.000 1.005 1983 S CB -0.537 62.664 63.200 0.002 0.000 0.867 1983 S HN 0.841 nan 8.310 nan 0.000 0.449 1984 A N 0.888 123.709 122.820 0.002 0.000 1.865 1984 A HA -0.052 4.269 4.320 0.001 0.000 0.217 1984 A C 2.361 179.947 177.584 0.003 0.000 1.191 1984 A CA 1.994 54.033 52.037 0.003 0.000 0.623 1984 A CB -1.214 17.787 19.000 0.002 0.000 0.826 1984 A HN 0.462 nan 8.150 nan 0.000 0.444 1985 V N -0.254 119.661 119.914 0.002 0.000 2.343 1985 V HA -0.229 3.892 4.120 0.001 0.000 0.247 1985 V C 2.816 178.912 176.094 0.003 0.000 1.051 1985 V CA 2.308 64.609 62.300 0.002 0.000 1.036 1985 V CB -0.831 30.992 31.823 0.000 0.000 0.654 1985 V HN 0.694 nan 8.190 nan 0.000 0.451 1986 S N 0.446 116.147 115.700 0.002 0.000 2.370 1986 S HA -0.171 4.300 4.470 0.001 0.000 0.226 1986 S C 2.064 176.667 174.600 0.005 0.000 1.033 1986 S CA 1.938 60.139 58.200 0.003 0.000 1.011 1986 S CB -0.615 62.586 63.200 0.002 0.000 0.852 1986 S HN 0.651 nan 8.310 nan 0.000 0.457 1987 G N 1.205 110.008 108.800 0.005 0.000 2.402 1987 G HA2 -0.075 3.886 3.960 0.001 0.000 0.216 1987 G HA3 -0.075 3.886 3.960 0.001 0.000 0.216 1987 G C 1.427 176.333 174.900 0.010 0.000 1.162 1987 G CA 0.837 45.942 45.100 0.008 0.000 0.777 1987 G HN 0.571 nan 8.290 nan 0.000 0.539 1988 I N 0.553 121.129 120.570 0.009 0.000 2.163 1988 I HA -0.186 3.985 4.170 0.001 0.000 0.243 1988 I C 2.684 178.808 176.117 0.012 0.000 1.085 1988 I CA 0.945 62.251 61.300 0.010 0.000 1.347 1988 I CB -0.223 37.782 38.000 0.008 0.000 1.044 1988 I HN 0.152 nan 8.210 nan 0.000 0.408 1989 I N 0.740 121.315 120.570 0.009 0.000 2.127 1989 I HA -0.319 3.852 4.170 0.001 0.000 0.241 1989 I C 2.831 178.955 176.117 0.011 0.000 1.075 1989 I CA 1.476 62.782 61.300 0.009 0.000 1.334 1989 I CB -0.545 37.458 38.000 0.005 0.000 1.040 1989 I HN 0.199 nan 8.210 nan 0.000 0.405 1990 A N 0.376 123.202 122.820 0.010 0.000 1.917 1990 A HA -0.335 3.986 4.320 0.001 0.000 0.219 1990 A C 2.024 179.620 177.584 0.020 0.000 1.182 1990 A CA 2.467 54.510 52.037 0.011 0.000 0.633 1990 A CB -0.767 18.239 19.000 0.009 0.000 0.819 1990 A HN 0.494 nan 8.150 nan 0.000 0.448 1991 D N -0.230 120.184 120.400 0.025 0.000 2.144 1991 D HA -0.094 4.547 4.640 0.001 0.000 0.199 1991 D C 1.771 178.098 176.300 0.045 0.000 0.984 1991 D CA 1.118 55.140 54.000 0.037 0.000 0.834 1991 D CB -0.245 40.573 40.800 0.030 0.000 0.955 1991 D HN 0.453 nan 8.370 nan 0.000 0.465 1992 L N 0.149 121.392 121.223 0.033 0.000 2.156 1992 L HA -0.088 4.253 4.340 0.001 0.000 0.208 1992 L C 1.989 178.881 176.870 0.036 0.000 1.095 1992 L CA 0.883 55.743 54.840 0.034 0.000 0.770 1992 L CB -0.299 41.773 42.059 0.022 0.000 0.914 1992 L HN -0.035 nan 8.230 nan 0.000 0.439 1993 D N -0.483 119.933 120.400 0.026 0.000 2.144 1993 D HA -0.153 4.488 4.640 0.001 0.000 0.199 1993 D C 2.159 178.471 176.300 0.021 0.000 0.984 1993 D CA 1.573 55.583 54.000 0.016 0.000 0.834 1993 D CB -0.154 40.648 40.800 0.003 0.000 0.955 1993 D HN 0.236 nan 8.370 nan 0.000 0.465 1994 T N 0.351 114.929 114.554 0.040 0.000 2.684 1994 T HA -0.120 4.231 4.350 0.001 0.000 0.267 1994 T C 2.000 176.802 174.700 0.170 0.000 1.036 1994 T CA 1.808 63.946 62.100 0.063 0.000 1.148 1994 T CB -0.448 68.492 68.868 0.121 0.000 0.863 1994 T HN 0.176 nan 8.240 nan 0.000 0.436 1995 T N 1.908 116.573 114.554 0.185 0.000 2.777 1995 T HA 0.104 4.454 4.350 0.001 0.000 0.266 1995 T C 1.283 176.080 174.700 0.162 0.000 1.040 1995 T CA 0.478 62.710 62.100 0.220 0.000 1.141 1995 T CB -0.371 68.562 68.868 0.108 0.000 0.868 1995 T HN 0.297 nan 8.240 nan 0.000 0.444 1999 A N -0.001 122.928 122.820 0.181 0.000 1.930 1999 A HA -0.075 4.246 4.320 0.001 0.000 0.217 1999 A C 1.901 179.518 177.584 0.056 0.000 1.175 1999 A CA 2.476 54.571 52.037 0.096 0.000 0.627 1999 A CB -1.144 17.894 19.000 0.063 0.000 0.815 1999 A HN 0.351 nan 8.150 nan 0.000 0.443 2000 T N 0.278 114.853 114.554 0.036 0.000 2.788 2000 T HA 0.002 4.353 4.350 0.001 0.000 0.268 2000 T C 1.972 176.677 174.700 0.008 0.000 1.044 2000 T CA 1.391 63.497 62.100 0.010 0.000 1.139 2000 T CB -0.293 68.571 68.868 -0.007 0.000 0.867 2000 T HN 0.561 nan 8.240 nan 0.000 0.454 2001 A N 0.310 123.137 122.820 0.012 0.000 2.206 2001 A HA 0.484 4.804 4.320 0.001 0.000 0.211 2001 A C 1.862 179.464 177.584 0.030 0.000 1.158 2001 A CA 0.853 52.896 52.037 0.010 0.000 0.761 2001 A CB -0.720 18.277 19.000 -0.005 0.000 0.801 2001 A HN 0.748 nan 8.150 nan 0.000 0.473 2002 G N -0.983 107.842 108.800 0.042 0.000 2.149 2002 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 2002 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 2002 G C 0.650 175.584 174.900 0.058 0.000 1.018 2002 G CA 1.226 46.349 45.100 0.039 0.000 0.728 2002 G HN 1.375 nan 8.290 nan 0.000 0.508 2003 T N -2.823 111.790 114.554 0.099 0.000 3.084 2003 T HA 0.517 4.868 4.350 0.001 0.000 0.270 2003 T C 0.769 175.538 174.700 0.114 0.000 1.008 2003 T CA 0.238 62.416 62.100 0.129 0.000 0.900 2003 T CB 0.555 69.555 68.868 0.221 0.000 1.084 2003 T HN 0.805 nan 8.240 nan 0.000 0.538 2004 L N 5.087 126.364 121.223 0.090 0.000 2.375 2004 L HA 0.388 4.729 4.340 0.001 0.000 0.276 2004 L C -0.108 176.756 176.870 -0.010 0.000 1.162 2004 L CA -0.696 54.158 54.840 0.023 0.000 0.991 2004 L CB -0.284 41.803 42.059 0.046 0.000 1.315 2004 L HN 0.316 nan 8.230 nan 0.000 0.431 2005 N N 3.629 122.310 118.700 -0.032 0.000 2.515 2005 N HA 0.157 4.898 4.740 0.001 0.000 0.279 2005 N C -0.197 175.297 175.510 -0.026 0.000 1.164 2005 N CA -0.747 52.291 53.050 -0.019 0.000 0.982 2005 N CB 0.889 39.365 38.487 -0.018 0.000 1.170 2005 N HN 0.542 nan 8.380 nan 0.000 0.474 2006 R N 0.358 120.854 120.500 -0.007 0.000 2.623 2006 R HA -0.031 4.310 4.340 0.001 0.000 0.271 2006 R C -0.596 175.706 176.300 0.003 0.000 1.043 2006 R CA 0.019 56.123 56.100 0.006 0.000 1.083 2006 R CB 0.419 30.732 30.300 0.021 0.000 0.974 2006 R HN 0.513 nan 8.270 nan 0.000 0.436 2007 E N 3.013 123.222 120.200 0.015 0.000 2.194 2007 E HA 0.171 4.522 4.350 0.001 0.000 0.284 2007 E C 0.879 177.494 176.600 0.025 0.000 1.035 2007 E CA 0.627 57.036 56.400 0.015 0.000 0.836 2007 E CB 1.365 31.079 29.700 0.022 0.000 1.070 2007 E HN 0.912 nan 8.360 nan 0.000 0.401 2008 G N 3.971 112.779 108.800 0.014 0.000 2.660 2008 G HA2 -0.368 3.593 3.960 0.001 0.000 0.321 2008 G HA3 -0.368 3.593 3.960 0.001 0.000 0.321 2008 G C 0.512 175.422 174.900 0.017 0.000 1.246 2008 G CA 0.636 45.744 45.100 0.013 0.000 1.000 2008 G HN 0.747 nan 8.290 nan 0.000 0.550 2009 A N 0.063 122.894 122.820 0.018 0.000 2.631 2009 A HA 0.600 4.921 4.320 0.001 0.000 0.294 2009 A C 0.535 178.134 177.584 0.024 0.000 1.156 2009 A CA 0.760 52.807 52.037 0.017 0.000 0.963 2009 A CB 0.071 19.076 19.000 0.008 0.000 1.202 2009 A HN 0.586 nan 8.150 nan 0.000 0.523 2010 E N 1.065 121.289 120.200 0.042 0.000 2.436 2010 E HA 0.291 4.642 4.350 0.001 0.000 0.262 2010 E C 0.540 177.195 176.600 0.093 0.000 1.063 2010 E CA 0.851 57.291 56.400 0.067 0.000 0.944 2010 E CB 0.595 30.378 29.700 0.140 0.000 0.950 2010 E HN 0.548 nan 8.360 nan 0.000 0.444 2011 T N -1.498 113.119 114.554 0.105 0.000 2.864 2011 T HA 0.230 4.581 4.350 0.001 0.000 0.289 2011 T C 0.529 175.377 174.700 0.246 0.000 1.082 2011 T CA -0.829 61.358 62.100 0.145 0.000 1.009 2011 T CB 0.495 69.420 68.868 0.095 0.000 1.234 2011 T HN 0.476 nan 8.240 nan 0.000 0.526 2012 F N 1.121 121.128 119.950 0.095 0.000 2.236 2012 F HA -0.001 4.527 4.527 0.001 0.000 0.302 2012 F C 2.562 178.422 175.800 0.099 0.000 1.073 2012 F CA 1.608 59.679 58.000 0.119 0.000 1.336 2012 F CB -0.434 38.600 39.000 0.057 0.000 1.040 2012 F HN 0.774 nan 8.300 nan 0.000 0.507 2013 A N -0.412 122.446 122.820 0.063 0.000 2.019 2013 A HA -0.207 4.113 4.320 0.001 0.000 0.219 2013 A C 1.814 179.298 177.584 -0.167 0.000 1.164 2013 A CA 1.847 53.850 52.037 -0.056 0.000 0.644 2013 A CB -0.722 18.276 19.000 -0.003 0.000 0.805 2013 A HN 0.424 nan 8.150 nan 0.000 0.449 2014 D N -1.389 118.889 120.400 -0.203 0.000 2.348 2014 D HA -0.062 4.579 4.640 0.001 0.000 0.216 2014 D C 0.928 176.828 176.300 -0.667 0.000 0.970 2014 D CA 0.876 54.630 54.000 -0.410 0.000 0.889 2014 D CB -0.064 40.456 40.800 -0.466 0.000 0.912 2014 D HN 0.649 nan 8.370 nan 0.000 0.524 2015 H N -0.647 118.260 119.070 -0.272 0.000 3.400 2015 H HA 0.097 4.654 4.556 0.001 0.000 0.251 2015 H C 1.977 177.051 175.328 -0.423 0.000 1.040 2015 H CA 0.140 56.003 56.048 -0.310 0.000 1.175 2015 H CB 0.697 30.277 29.762 -0.303 0.000 1.487 2015 H HN 0.086 nan 8.280 nan 0.000 0.505 2016 R N 1.532 121.728 120.500 -0.506 0.000 2.096 2016 R HA -0.067 4.274 4.340 0.001 0.000 0.235 2016 R C 1.590 177.764 176.300 -0.211 0.000 1.127 2016 R CA 1.367 57.162 56.100 -0.508 0.000 0.968 2016 R CB -0.245 29.794 30.300 -0.435 0.000 0.861 2016 R HN 0.061 nan 8.270 nan 0.000 0.440 2017 E N 0.605 120.708 120.200 -0.162 0.000 2.072 2017 E HA -0.074 4.277 4.350 0.001 0.000 0.191 2017 E C 2.197 178.756 176.600 -0.070 0.000 0.985 2017 E CA 1.605 57.949 56.400 -0.093 0.000 0.801 2017 E CB -0.559 29.091 29.700 -0.084 0.000 0.750 2017 E HN 0.619 nan 8.360 nan 0.000 0.452 2018 G N 1.142 109.897 108.800 -0.075 0.000 2.408 2018 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 2018 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 2018 G C 1.775 176.657 174.900 -0.029 0.000 1.150 2018 G CA 0.500 45.574 45.100 -0.043 0.000 0.776 2018 G HN 0.165 nan 8.290 nan 0.000 0.542 2019 I N 0.442 120.989 120.570 -0.039 0.000 2.142 2019 I HA -0.153 4.018 4.170 0.001 0.000 0.240 2019 I C 2.717 178.833 176.117 -0.002 0.000 1.078 2019 I CA 0.876 62.169 61.300 -0.011 0.000 1.343 2019 I CB -0.248 37.750 38.000 -0.003 0.000 1.046 2019 I HN 0.115 nan 8.210 nan 0.000 0.405 2020 L N 0.445 121.662 121.223 -0.011 0.000 2.046 2020 L HA -0.227 4.114 4.340 0.001 0.000 0.208 2020 L C 2.644 179.512 176.870 -0.003 0.000 1.077 2020 L CA 1.405 56.245 54.840 0.001 0.000 0.747 2020 L CB -0.724 41.334 42.059 -0.002 0.000 0.896 2020 L HN 0.259 nan 8.230 nan 0.000 0.432 2021 K N 0.107 120.500 120.400 -0.012 0.000 2.026 2021 K HA -0.163 4.158 4.320 0.001 0.000 0.208 2021 K C 2.046 178.642 176.600 -0.006 0.000 1.048 2021 K CA 1.995 58.276 56.287 -0.011 0.000 0.929 2021 K CB -0.096 32.394 32.500 -0.017 0.000 0.713 2021 K HN 0.208 nan 8.250 nan 0.000 0.439 2022 T N 1.020 115.571 114.554 -0.006 0.000 2.746 2022 T HA -0.126 4.225 4.350 0.001 0.000 0.267 2022 T C 1.921 176.622 174.700 0.001 0.000 1.039 2022 T CA 1.338 63.437 62.100 -0.002 0.000 1.142 2022 T CB -0.353 68.515 68.868 -0.000 0.000 0.866 2022 T HN 0.422 nan 8.240 nan 0.000 0.444 2023 A N 1.843 124.666 122.820 0.005 0.000 1.940 2023 A HA -0.182 4.139 4.320 0.001 0.000 0.219 2023 A C 2.252 179.839 177.584 0.004 0.000 1.176 2023 A CA 1.732 53.773 52.037 0.007 0.000 0.631 2023 A CB -0.463 18.546 19.000 0.014 0.000 0.814 2023 A HN 0.502 nan 8.150 nan 0.000 0.446 2024 K N -0.593 119.809 120.400 0.002 0.000 2.155 2024 K HA 0.004 4.325 4.320 0.001 0.000 0.203 2024 K C 1.772 178.371 176.600 -0.002 0.000 1.052 2024 K CA 1.113 57.400 56.287 -0.000 0.000 0.948 2024 K CB -0.271 32.229 32.500 -0.001 0.000 0.728 2024 K HN 0.294 nan 8.250 nan 0.000 0.448 2025 V N 1.626 121.538 119.914 -0.002 0.000 2.392 2025 V HA -0.233 3.888 4.120 0.001 0.000 0.249 2025 V C 2.107 178.199 176.094 -0.003 0.000 1.059 2025 V CA 1.353 63.651 62.300 -0.003 0.000 1.051 2025 V CB -0.364 31.457 31.823 -0.003 0.000 0.658 2025 V HN 0.246 nan 8.190 nan 0.000 0.455 2026 L N -0.113 121.109 121.223 -0.002 0.000 2.131 2026 L HA -0.108 4.233 4.340 0.001 0.000 0.210 2026 L C 2.292 179.159 176.870 -0.005 0.000 1.092 2026 L CA 1.671 56.509 54.840 -0.003 0.000 0.759 2026 L CB -0.425 41.633 42.059 -0.001 0.000 0.903 2026 L HN 0.163 nan 8.230 nan 0.000 0.435 2027 V N -0.803 119.108 119.914 -0.005 0.000 2.427 2027 V HA -0.194 3.927 4.120 0.001 0.000 0.248 2027 V C 2.532 178.622 176.094 -0.007 0.000 1.051 2027 V CA 1.414 63.710 62.300 -0.006 0.000 1.048 2027 V CB -0.614 31.206 31.823 -0.005 0.000 0.666 2027 V HN 0.400 nan 8.190 nan 0.000 0.456 2028 E N 0.202 120.399 120.200 -0.005 0.000 2.072 2028 E HA -0.188 4.163 4.350 0.001 0.000 0.191 2028 E C 1.986 178.582 176.600 -0.006 0.000 0.985 2028 E CA 1.266 57.663 56.400 -0.005 0.000 0.801 2028 E CB -0.508 29.190 29.700 -0.004 0.000 0.750 2028 E HN 0.584 nan 8.360 nan 0.000 0.452 2029 D N 0.137 120.533 120.400 -0.006 0.000 2.178 2029 D HA -0.094 4.547 4.640 0.001 0.000 0.201 2029 D C 1.796 178.090 176.300 -0.009 0.000 0.980 2029 D CA 1.189 55.185 54.000 -0.006 0.000 0.842 2029 D CB -0.332 40.464 40.800 -0.006 0.000 0.948 2029 D HN 0.152 nan 8.370 nan 0.000 0.472 2030 T N 0.685 115.232 114.554 -0.011 0.000 2.708 2030 T HA -0.157 4.194 4.350 0.001 0.000 0.266 2030 T C 1.872 176.563 174.700 -0.016 0.000 1.037 2030 T CA 1.187 63.277 62.100 -0.015 0.000 1.146 2030 T CB -0.008 68.849 68.868 -0.018 0.000 0.865 2030 T HN 0.160 nan 8.240 nan 0.000 0.435 2031 K N 0.694 121.087 120.400 -0.013 0.000 2.057 2031 K HA -0.081 4.240 4.320 0.001 0.000 0.207 2031 K C 2.221 178.815 176.600 -0.009 0.000 1.049 2031 K CA 1.027 57.307 56.287 -0.011 0.000 0.931 2031 K CB -0.271 32.224 32.500 -0.008 0.000 0.714 2031 K HN 0.141 nan 8.250 nan 0.000 0.440 2032 V N 1.810 121.720 119.914 -0.007 0.000 2.343 2032 V HA -0.262 3.859 4.120 0.001 0.000 0.247 2032 V C 2.348 178.439 176.094 -0.006 0.000 1.051 2032 V CA 1.536 63.832 62.300 -0.005 0.000 1.036 2032 V CB -0.364 31.456 31.823 -0.005 0.000 0.654 2032 V HN 0.324 nan 8.190 nan 0.000 0.451 2033 L N -0.511 120.707 121.223 -0.009 0.000 1.989 2033 L HA -0.187 4.154 4.340 0.001 0.000 0.211 2033 L C 2.517 179.381 176.870 -0.010 0.000 1.071 2033 L CA 1.490 56.325 54.840 -0.010 0.000 0.749 2033 L CB -0.597 41.454 42.059 -0.013 0.000 0.890 2033 L HN 0.182 nan 8.230 nan 0.000 0.431 2034 V N -0.535 119.370 119.914 -0.014 0.000 2.282 2034 V HA -0.366 3.755 4.120 0.001 0.000 0.249 2034 V C 2.418 178.508 176.094 -0.006 0.000 1.057 2034 V CA 1.948 64.240 62.300 -0.014 0.000 1.032 2034 V CB -0.600 31.212 31.823 -0.019 0.000 0.645 2034 V HN 0.519 nan 8.190 nan 0.000 0.447 2035 Q N -0.370 119.428 119.800 -0.004 0.000 2.167 2035 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 2035 Q C 1.655 177.655 176.000 0.001 0.000 0.970 2035 Q CA 1.136 56.939 55.803 -0.000 0.000 0.855 2035 Q CB -0.117 28.621 28.738 -0.000 0.000 0.911 2035 Q HN 0.625 nan 8.270 nan 0.000 0.438 2036 N N -0.556 118.143 118.700 -0.001 0.000 2.280 2036 N HA 0.117 4.858 4.740 0.001 0.000 0.192 2036 N C 0.938 176.449 175.510 0.001 0.000 1.109 2036 N CA 0.403 53.453 53.050 0.001 0.000 0.855 2036 N CB 0.570 39.057 38.487 -0.000 0.000 0.974 2036 N HN 0.148 nan 8.380 nan 0.000 0.482 2037 A N 1.004 123.825 122.820 0.001 0.000 1.898 2037 A HA 0.155 4.476 4.320 0.001 0.000 0.216 2037 A C 1.259 178.847 177.584 0.006 0.000 1.181 2037 A CA 0.998 53.037 52.037 0.003 0.000 0.620 2037 A CB -0.308 18.693 19.000 0.002 0.000 0.819 2037 A HN 0.244 nan 8.150 nan 0.000 0.442 2038 A N -0.706 122.119 122.820 0.008 0.000 2.320 2038 A HA 0.577 4.898 4.320 0.001 0.000 0.287 2038 A C 0.704 178.292 177.584 0.007 0.000 1.181 2038 A CA 0.412 52.455 52.037 0.009 0.000 0.831 2038 A CB -0.484 18.524 19.000 0.012 0.000 1.102 2038 A HN 2.105 nan 8.150 nan 0.000 0.513 2039 G N 0.836 109.640 108.800 0.006 0.000 2.331 2039 G HA2 0.256 4.216 3.960 0.001 0.000 0.402 2039 G HA3 0.256 4.216 3.960 0.001 0.000 0.402 2039 G C -0.158 174.744 174.900 0.004 0.000 1.275 2039 G CA -0.405 44.698 45.100 0.005 0.000 1.003 2039 G HN 1.277 nan 8.290 nan 0.000 0.500 2040 S N 0.051 115.753 115.700 0.004 0.000 2.643 2040 S HA 0.032 4.502 4.470 0.001 0.000 0.310 2040 S C 1.729 176.331 174.600 0.003 0.000 1.253 2040 S CA 1.073 59.275 58.200 0.003 0.000 1.047 2040 S CB 0.963 64.164 63.200 0.002 0.000 0.767 2040 S HN 0.668 nan 8.310 nan 0.000 0.498 2041 Q N 1.693 121.495 119.800 0.003 0.000 2.112 2041 Q HA -0.250 4.091 4.340 0.001 0.000 0.206 2041 Q C 2.294 178.295 176.000 0.002 0.000 0.987 2041 Q CA 1.963 57.768 55.803 0.003 0.000 0.858 2041 Q CB -0.136 28.604 28.738 0.003 0.000 0.905 2041 Q HN 0.889 nan 8.270 nan 0.000 0.420 2042 E N 0.952 121.153 120.200 0.002 0.000 2.077 2042 E HA -0.218 4.133 4.350 0.001 0.000 0.193 2042 E C 1.679 178.279 176.600 0.001 0.000 0.989 2042 E CA 1.288 57.689 56.400 0.001 0.000 0.800 2042 E CB 0.098 29.799 29.700 0.001 0.000 0.746 2042 E HN 0.152 nan 8.360 nan 0.000 0.452 2043 K N -0.288 120.113 120.400 0.001 0.000 2.103 2043 K HA -0.095 4.226 4.320 0.001 0.000 0.204 2043 K C 2.095 178.695 176.600 0.000 0.000 1.052 2043 K CA 0.834 57.122 56.287 0.001 0.000 0.945 2043 K CB -0.113 32.388 32.500 0.001 0.000 0.722 2043 K HN 0.142 nan 8.250 nan 0.000 0.443 2044 L N 1.118 122.341 121.223 0.001 0.000 2.017 2044 L HA -0.113 4.228 4.340 0.001 0.000 0.208 2044 L C 2.152 179.021 176.870 -0.000 0.000 1.073 2044 L CA 1.799 56.639 54.840 0.000 0.000 0.745 2044 L CB -0.854 41.206 42.059 0.001 0.000 0.894 2044 L HN 0.115 nan 8.230 nan 0.000 0.432 2045 A N -1.159 121.661 122.820 0.000 0.000 1.917 2045 A HA -0.317 4.004 4.320 0.001 0.000 0.219 2045 A C 2.266 179.850 177.584 -0.000 0.000 1.182 2045 A CA 1.992 54.029 52.037 -0.000 0.000 0.633 2045 A CB -0.735 18.266 19.000 0.000 0.000 0.819 2045 A HN 0.552 nan 8.150 nan 0.000 0.448 2046 Q N -0.200 119.599 119.800 -0.000 0.000 2.050 2046 Q HA -0.039 4.301 4.340 0.001 0.000 0.202 2046 Q C 2.119 178.118 176.000 -0.001 0.000 0.980 2046 Q CA 2.287 58.090 55.803 -0.001 0.000 0.840 2046 Q CB -0.769 27.968 28.738 -0.001 0.000 0.898 2046 Q HN 0.560 nan 8.270 nan 0.000 0.424 2047 A N 0.349 123.168 122.820 -0.002 0.000 1.908 2047 A HA -0.098 4.223 4.320 0.001 0.000 0.218 2047 A C 2.299 179.881 177.584 -0.003 0.000 1.181 2047 A CA 2.196 54.231 52.037 -0.003 0.000 0.627 2047 A CB -1.246 17.752 19.000 -0.003 0.000 0.818 2047 A HN 0.514 nan 8.150 nan 0.000 0.445 2048 A N -1.068 121.751 122.820 -0.003 0.000 1.865 2048 A HA -0.243 4.078 4.320 0.001 0.000 0.217 2048 A C 2.243 179.826 177.584 -0.002 0.000 1.191 2048 A CA 1.904 53.939 52.037 -0.003 0.000 0.623 2048 A CB -0.611 18.388 19.000 -0.002 0.000 0.826 2048 A HN 0.573 nan 8.150 nan 0.000 0.444 2049 Q N 0.141 119.940 119.800 -0.002 0.000 2.050 2049 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 2049 Q C 2.315 178.314 176.000 -0.001 0.000 0.980 2049 Q CA 2.122 57.925 55.803 -0.001 0.000 0.840 2049 Q CB -0.371 28.367 28.738 -0.001 0.000 0.898 2049 Q HN 0.567 nan 8.270 nan 0.000 0.424 2050 S N 0.933 116.632 115.700 -0.002 0.000 2.359 2050 S HA -0.175 4.295 4.470 0.001 0.000 0.224 2050 S C 2.096 176.694 174.600 -0.002 0.000 1.035 2050 S CA 1.743 59.942 58.200 -0.002 0.000 1.018 2050 S CB -0.397 62.801 63.200 -0.002 0.000 0.876 2050 S HN 0.686 nan 8.310 nan 0.000 0.448 2051 S N 1.263 116.961 115.700 -0.003 0.000 2.382 2051 S HA -0.059 4.412 4.470 0.001 0.000 0.228 2051 S C 1.871 176.469 174.600 -0.002 0.000 1.027 2051 S CA 1.224 59.422 58.200 -0.003 0.000 0.991 2051 S CB -0.727 62.469 63.200 -0.005 0.000 0.823 2051 S HN 0.285 nan 8.310 nan 0.000 0.469 2052 V N 2.548 122.461 119.914 -0.002 0.000 2.427 2052 V HA -0.060 4.060 4.120 0.001 0.000 0.248 2052 V C 3.162 179.256 176.094 0.000 0.000 1.051 2052 V CA 1.482 63.782 62.300 -0.001 0.000 1.048 2052 V CB -1.535 30.288 31.823 -0.000 0.000 0.666 2052 V HN 0.674 nan 8.190 nan 0.000 0.456 2053 A N 0.025 122.845 122.820 -0.000 0.000 1.908 2053 A HA -0.242 4.079 4.320 0.001 0.000 0.218 2053 A C 2.409 179.993 177.584 0.000 0.000 1.181 2053 A CA 2.622 54.660 52.037 0.000 0.000 0.627 2053 A CB -0.977 18.023 19.000 -0.000 0.000 0.818 2053 A HN 0.507 nan 8.150 nan 0.000 0.445 2054 T N -0.221 114.333 114.554 -0.000 0.000 2.777 2054 T HA -0.107 4.244 4.350 0.001 0.000 0.266 2054 T C 1.808 176.509 174.700 0.001 0.000 1.040 2054 T CA 1.463 63.563 62.100 -0.000 0.000 1.141 2054 T CB -0.293 68.574 68.868 -0.001 0.000 0.868 2054 T HN 0.353 nan 8.240 nan 0.000 0.444 2055 I N 1.338 121.909 120.570 0.001 0.000 2.394 2055 I HA -0.108 4.062 4.170 0.001 0.000 0.251 2055 I C 2.294 178.414 176.117 0.004 0.000 1.136 2055 I CA 1.287 62.589 61.300 0.003 0.000 1.425 2055 I CB -0.650 37.351 38.000 0.002 0.000 1.079 2055 I HN 0.145 nan 8.210 nan 0.000 0.425 2056 T N 0.459 115.015 114.554 0.004 0.000 2.684 2056 T HA -0.241 4.110 4.350 0.001 0.000 0.267 2056 T C 2.075 176.778 174.700 0.005 0.000 1.036 2056 T CA 1.845 63.948 62.100 0.005 0.000 1.148 2056 T CB -0.292 68.578 68.868 0.004 0.000 0.863 2056 T HN 0.350 nan 8.240 nan 0.000 0.436 2057 R N 0.209 120.712 120.500 0.004 0.000 2.075 2057 R HA -0.031 4.310 4.340 0.001 0.000 0.232 2057 R C 2.384 178.688 176.300 0.007 0.000 1.126 2057 R CA 1.040 57.142 56.100 0.004 0.000 0.963 2057 R CB -0.460 29.841 30.300 0.002 0.000 0.858 2057 R HN 0.257 nan 8.270 nan 0.000 0.435 2058 L N 0.761 121.989 121.223 0.007 0.000 2.017 2058 L HA -0.068 4.273 4.340 0.001 0.000 0.208 2058 L C 2.265 179.143 176.870 0.013 0.000 1.073 2058 L CA 2.204 57.050 54.840 0.010 0.000 0.745 2058 L CB -0.905 41.160 42.059 0.010 0.000 0.894 2058 L HN 0.262 nan 8.230 nan 0.000 0.432 2059 A N -0.629 122.198 122.820 0.011 0.000 1.892 2059 A HA -0.282 4.039 4.320 0.001 0.000 0.218 2059 A C 2.040 179.629 177.584 0.010 0.000 1.188 2059 A CA 2.235 54.279 52.037 0.012 0.000 0.631 2059 A CB -1.014 17.993 19.000 0.011 0.000 0.822 2059 A HN 0.570 nan 8.150 nan 0.000 0.447 2060 D N -0.550 119.854 120.400 0.007 0.000 2.117 2060 D HA -0.104 4.537 4.640 0.001 0.000 0.198 2060 D C 2.247 178.547 176.300 0.000 0.000 0.982 2060 D CA 1.866 55.867 54.000 0.003 0.000 0.828 2060 D CB -0.551 40.251 40.800 0.003 0.000 0.967 2060 D HN 0.468 nan 8.370 nan 0.000 0.464 2061 V N -1.025 118.894 119.914 0.009 0.000 2.453 2061 V HA -0.130 3.991 4.120 0.001 0.000 0.247 2061 V C 2.341 178.437 176.094 0.002 0.000 1.048 2061 V CA 0.932 63.241 62.300 0.015 0.000 1.049 2061 V CB -0.881 30.957 31.823 0.025 0.000 0.672 2061 V HN -0.011 nan 8.190 nan 0.000 0.457 2062 V N 0.462 120.386 119.914 0.016 0.000 2.343 2062 V HA -0.233 3.888 4.120 0.001 0.000 0.247 2062 V C 2.823 178.923 176.094 0.010 0.000 1.051 2062 V CA 2.547 64.870 62.300 0.037 0.000 1.036 2062 V CB -0.878 30.974 31.823 0.049 0.000 0.654 2062 V HN 0.541 nan 8.190 nan 0.000 0.451 2063 K N -0.185 120.210 120.400 -0.008 0.000 2.044 2063 K HA -0.184 4.137 4.320 0.001 0.000 0.210 2063 K C 2.097 178.648 176.600 -0.081 0.000 1.049 2063 K CA 1.593 57.864 56.287 -0.026 0.000 0.927 2063 K CB -0.371 32.118 32.500 -0.018 0.000 0.713 2063 K HN 0.369 nan 8.250 nan 0.000 0.443 2064 L N -0.188 120.960 121.223 -0.124 0.000 2.093 2064 L HA -0.117 4.224 4.340 0.001 0.000 0.208 2064 L C 2.563 179.091 176.870 -0.569 0.000 1.085 2064 L CA 1.296 55.976 54.840 -0.266 0.000 0.755 2064 L CB -0.791 41.164 42.059 -0.173 0.000 0.904 2064 L HN 0.368 nan 8.230 nan 0.000 0.435 2065 G N -0.345 108.203 108.800 -0.420 0.000 2.418 2065 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 2065 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 2065 G C 1.787 176.729 174.900 0.070 0.000 1.158 2065 G CA 0.792 45.762 45.100 -0.216 0.000 0.771 2065 G HN 0.454 nan 8.290 nan 0.000 0.545 2066 A N 1.273 124.114 122.820 0.035 0.000 1.902 2066 A HA 0.249 4.570 4.320 0.001 0.000 0.217 2066 A C 2.831 180.407 177.584 -0.013 0.000 1.181 2066 A CA 2.280 54.329 52.037 0.021 0.000 0.623 2066 A CB -0.856 18.149 19.000 0.007 0.000 0.818 2066 A HN 0.820 nan 8.150 nan 0.000 0.443 2067 A N 0.390 123.176 122.820 -0.058 0.000 1.940 2067 A HA -0.134 4.187 4.320 0.001 0.000 0.219 2067 A C 2.463 180.029 177.584 -0.030 0.000 1.176 2067 A CA 2.384 54.387 52.037 -0.057 0.000 0.631 2067 A CB -1.045 17.901 19.000 -0.091 0.000 0.814 2067 A HN 1.137 nan 8.150 nan 0.000 0.446 2068 S N -0.158 115.519 115.700 -0.039 0.000 2.469 2068 S HA -0.041 4.430 4.470 0.001 0.000 0.238 2068 S C 1.647 176.310 174.600 0.105 0.000 0.998 2068 S CA 1.256 59.496 58.200 0.068 0.000 0.957 2068 S CB -0.686 62.617 63.200 0.171 0.000 0.764 2068 S HN 0.483 nan 8.310 nan 0.000 0.514 2069 L N 1.083 122.349 121.223 0.072 0.000 2.291 2069 L HA 0.251 4.591 4.340 0.001 0.000 0.214 2069 L C 1.449 178.328 176.870 0.014 0.000 1.120 2069 L CA 0.404 55.262 54.840 0.029 0.000 0.799 2069 L CB -1.328 40.706 42.059 -0.042 0.000 0.925 2069 L HN 0.656 nan 8.230 nan 0.000 0.446 2070 G N -1.144 107.665 108.800 0.014 0.000 2.719 2070 G HA2 -0.081 3.880 3.960 0.001 0.000 0.686 2070 G HA3 -0.081 3.880 3.960 0.001 0.000 0.686 2070 G C 0.439 175.342 174.900 0.004 0.000 1.201 2070 G CA -0.416 44.689 45.100 0.009 0.000 0.768 2070 G HN 0.155 nan 8.290 nan 0.000 0.629 2071 A N 0.463 123.287 122.820 0.007 0.000 2.178 2071 A HA 0.123 4.443 4.320 0.001 0.000 0.218 2071 A C 2.034 179.623 177.584 0.009 0.000 1.157 2071 A CA 2.131 54.176 52.037 0.012 0.000 0.689 2071 A CB -0.196 18.815 19.000 0.018 0.000 0.787 2071 A HN 1.358 nan 8.150 nan 0.000 0.465 2072 E N -0.256 119.947 120.200 0.004 0.000 2.489 2072 E HA -0.043 4.308 4.350 0.001 0.000 0.193 2072 E C -0.446 176.152 176.600 -0.005 0.000 1.057 2072 E CA 0.617 57.018 56.400 0.001 0.000 0.866 2072 E CB -0.155 29.545 29.700 0.001 0.000 0.916 2072 E HN 0.348 nan 8.360 nan 0.000 0.500 2073 D N 1.459 121.854 120.400 -0.008 0.000 3.010 2073 D HA 0.173 4.814 4.640 0.001 0.000 0.347 2073 D C -1.718 174.571 176.300 -0.019 0.000 1.340 2073 D CA -2.141 51.847 54.000 -0.019 0.000 0.858 2073 D CB 0.887 41.669 40.800 -0.030 0.000 1.111 2073 D HN -0.032 nan 8.370 nan 0.000 0.482 2074 P HA -0.088 nan 4.420 nan 0.000 0.221 2074 P C 1.126 178.420 177.300 -0.011 0.000 1.150 2074 P CA 0.747 63.845 63.100 -0.003 0.000 0.800 2074 P CB 0.660 32.364 31.700 0.006 0.000 0.787 2075 E N -0.290 119.900 120.200 -0.016 0.000 2.077 2075 E HA -0.099 4.252 4.350 0.001 0.000 0.193 2075 E C 1.929 178.511 176.600 -0.030 0.000 0.989 2075 E CA 1.613 58.001 56.400 -0.020 0.000 0.800 2075 E CB -0.543 29.145 29.700 -0.020 0.000 0.746 2075 E HN 0.250 nan 8.360 nan 0.000 0.452 2076 T N 1.002 115.530 114.554 -0.043 0.000 2.857 2076 T HA -0.128 4.223 4.350 0.001 0.000 0.266 2076 T C 1.797 176.456 174.700 -0.068 0.000 1.048 2076 T CA 0.833 62.892 62.100 -0.068 0.000 1.139 2076 T CB -0.104 68.707 68.868 -0.095 0.000 0.874 2076 T HN 0.160 nan 8.240 nan 0.000 0.455 2077 Q N 0.391 120.161 119.800 -0.049 0.000 2.061 2077 Q HA -0.096 4.245 4.340 0.001 0.000 0.204 2077 Q C 2.534 178.523 176.000 -0.018 0.000 0.984 2077 Q CA 1.298 57.082 55.803 -0.032 0.000 0.846 2077 Q CB -0.403 28.328 28.738 -0.011 0.000 0.902 2077 Q HN 0.357 nan 8.270 nan 0.000 0.421 2078 V N 0.043 119.950 119.914 -0.012 0.000 2.427 2078 V HA -0.198 3.923 4.120 0.001 0.000 0.248 2078 V C 2.236 178.323 176.094 -0.012 0.000 1.051 2078 V CA 1.161 63.458 62.300 -0.005 0.000 1.048 2078 V CB -0.390 31.431 31.823 -0.003 0.000 0.666 2078 V HN 0.178 nan 8.190 nan 0.000 0.456 2079 V N -0.155 119.746 119.914 -0.023 0.000 2.287 2079 V HA -0.275 3.846 4.120 0.001 0.000 0.248 2079 V C 2.401 178.482 176.094 -0.022 0.000 1.053 2079 V CA 2.279 64.564 62.300 -0.025 0.000 1.027 2079 V CB -0.567 31.234 31.823 -0.037 0.000 0.646 2079 V HN 0.502 nan 8.190 nan 0.000 0.447 2080 L N -0.155 121.049 121.223 -0.031 0.000 2.017 2080 L HA -0.120 4.221 4.340 0.001 0.000 0.208 2080 L C 2.141 179.016 176.870 0.008 0.000 1.073 2080 L CA 1.931 56.761 54.840 -0.016 0.000 0.745 2080 L CB -0.512 41.526 42.059 -0.034 0.000 0.894 2080 L HN 0.245 nan 8.230 nan 0.000 0.432 2081 I N -0.416 120.158 120.570 0.008 0.000 2.226 2081 I HA -0.270 3.901 4.170 0.001 0.000 0.245 2081 I C 2.214 178.338 176.117 0.012 0.000 1.100 2081 I CA 1.069 62.379 61.300 0.016 0.000 1.374 2081 I CB -0.618 37.393 38.000 0.020 0.000 1.057 2081 I HN 0.342 nan 8.210 nan 0.000 0.413 2082 N N 1.075 119.778 118.700 0.006 0.000 2.166 2082 N HA -0.142 4.599 4.740 0.001 0.000 0.186 2082 N C 1.964 177.476 175.510 0.004 0.000 1.019 2082 N CA 1.595 54.648 53.050 0.004 0.000 0.856 2082 N CB -0.181 38.306 38.487 -0.001 0.000 0.993 2082 N HN 0.378 nan 8.380 nan 0.000 0.426 2083 A N 0.575 123.398 122.820 0.005 0.000 1.940 2083 A HA -0.103 4.218 4.320 0.001 0.000 0.219 2083 A C 2.431 180.022 177.584 0.011 0.000 1.176 2083 A CA 1.390 53.431 52.037 0.007 0.000 0.631 2083 A CB -0.788 18.218 19.000 0.009 0.000 0.814 2083 A HN 0.180 nan 8.150 nan 0.000 0.446 2084 V N -0.293 119.631 119.914 0.016 0.000 2.591 2084 V HA -0.143 3.977 4.120 0.001 0.000 0.249 2084 V C 2.363 178.464 176.094 0.011 0.000 1.053 2084 V CA 2.415 64.725 62.300 0.017 0.000 1.068 2084 V CB -0.444 31.393 31.823 0.023 0.000 0.689 2084 V HN 0.681 nan 8.190 nan 0.000 0.462 2085 K N -0.166 120.241 120.400 0.010 0.000 2.044 2085 K HA -0.255 4.066 4.320 0.001 0.000 0.210 2085 K C 1.806 178.408 176.600 0.004 0.000 1.049 2085 K CA 2.308 58.600 56.287 0.008 0.000 0.927 2085 K CB -0.303 32.201 32.500 0.007 0.000 0.713 2085 K HN 0.498 nan 8.250 nan 0.000 0.443 2086 D N 0.249 120.651 120.400 0.003 0.000 2.133 2086 D HA -0.162 4.478 4.640 0.001 0.000 0.195 2086 D C 1.956 178.256 176.300 -0.001 0.000 0.997 2086 D CA 1.249 55.248 54.000 -0.000 0.000 0.840 2086 D CB -0.310 40.490 40.800 -0.001 0.000 0.947 2086 D HN 0.069 nan 8.370 nan 0.000 0.452 2087 V N 1.483 121.397 119.914 0.001 0.000 2.255 2087 V HA -0.272 3.849 4.120 0.001 0.000 0.247 2087 V C 2.580 178.673 176.094 -0.001 0.000 1.051 2087 V CA 1.891 64.191 62.300 0.000 0.000 1.018 2087 V CB -0.978 30.847 31.823 0.004 0.000 0.641 2087 V HN 0.204 nan 8.190 nan 0.000 0.445 2088 A N 0.003 122.824 122.820 0.001 0.000 1.884 2088 A HA -0.330 3.991 4.320 0.001 0.000 0.219 2088 A C 2.277 179.860 177.584 -0.002 0.000 1.197 2088 A CA 2.536 54.574 52.037 0.001 0.000 0.637 2088 A CB -0.572 18.430 19.000 0.004 0.000 0.827 2088 A HN 0.585 nan 8.150 nan 0.000 0.450 2089 K N -0.508 119.890 120.400 -0.002 0.000 2.032 2089 K HA -0.070 4.251 4.320 0.001 0.000 0.209 2089 K C 2.311 178.906 176.600 -0.008 0.000 1.048 2089 K CA 1.249 57.533 56.287 -0.004 0.000 0.927 2089 K CB -0.379 32.118 32.500 -0.004 0.000 0.712 2089 K HN 0.458 nan 8.250 nan 0.000 0.441 2090 A N 1.259 124.073 122.820 -0.010 0.000 1.972 2090 A HA -0.154 4.167 4.320 0.001 0.000 0.219 2090 A C 2.090 179.665 177.584 -0.016 0.000 1.169 2090 A CA 1.157 53.185 52.037 -0.015 0.000 0.635 2090 A CB -0.476 18.514 19.000 -0.017 0.000 0.810 2090 A HN 0.238 nan 8.150 nan 0.000 0.446 2091 L N 0.122 121.338 121.223 -0.012 0.000 2.056 2091 L HA -0.000 4.340 4.340 0.001 0.000 0.207 2091 L C 2.413 179.277 176.870 -0.011 0.000 1.078 2091 L CA 2.249 57.083 54.840 -0.011 0.000 0.749 2091 L CB -1.175 40.880 42.059 -0.007 0.000 0.901 2091 L HN 0.302 nan 8.230 nan 0.000 0.433 2092 G N -0.882 107.913 108.800 -0.008 0.000 2.476 2092 G HA2 -0.324 3.637 3.960 0.001 0.000 0.218 2092 G HA3 -0.324 3.637 3.960 0.001 0.000 0.218 2092 G C 1.273 176.167 174.900 -0.010 0.000 1.164 2092 G CA 1.032 46.127 45.100 -0.007 0.000 0.768 2092 G HN 0.443 nan 8.290 nan 0.000 0.560 2093 D N 0.045 120.437 120.400 -0.013 0.000 2.117 2093 D HA -0.089 4.552 4.640 0.001 0.000 0.197 2093 D C 2.386 178.673 176.300 -0.021 0.000 0.987 2093 D CA 0.613 54.603 54.000 -0.017 0.000 0.829 2093 D CB -0.455 40.333 40.800 -0.021 0.000 0.961 2093 D HN 0.240 nan 8.370 nan 0.000 0.460 2094 L N 0.857 122.065 121.223 -0.024 0.000 2.017 2094 L HA -0.099 4.242 4.340 0.001 0.000 0.208 2094 L C 2.105 178.963 176.870 -0.020 0.000 1.073 2094 L CA 1.382 56.205 54.840 -0.028 0.000 0.745 2094 L CB -0.540 41.502 42.059 -0.028 0.000 0.894 2094 L HN -0.006 nan 8.230 nan 0.000 0.432 2095 I N -1.399 119.163 120.570 -0.015 0.000 2.315 2095 I HA -0.275 3.896 4.170 0.001 0.000 0.248 2095 I C 2.636 178.747 176.117 -0.009 0.000 1.117 2095 I CA 1.336 62.630 61.300 -0.010 0.000 1.404 2095 I CB -0.423 37.573 38.000 -0.007 0.000 1.071 2095 I HN 0.311 nan 8.210 nan 0.000 0.419 2096 S N 0.489 116.183 115.700 -0.009 0.000 2.370 2096 S HA -0.206 4.264 4.470 0.001 0.000 0.226 2096 S C 2.204 176.799 174.600 -0.007 0.000 1.033 2096 S CA 1.576 59.772 58.200 -0.007 0.000 1.011 2096 S CB -0.186 63.010 63.200 -0.007 0.000 0.852 2096 S HN 0.498 nan 8.310 nan 0.000 0.457 2097 A N 0.581 123.393 122.820 -0.013 0.000 1.930 2097 A HA -0.061 4.260 4.320 0.001 0.000 0.217 2097 A C 2.421 179.999 177.584 -0.011 0.000 1.175 2097 A CA 2.241 54.268 52.037 -0.015 0.000 0.627 2097 A CB -1.514 17.466 19.000 -0.032 0.000 0.815 2097 A HN 0.753 nan 8.150 nan 0.000 0.443 2098 T N -1.509 113.038 114.554 -0.012 0.000 2.777 2098 T HA -0.194 4.157 4.350 0.001 0.000 0.266 2098 T C 1.908 176.607 174.700 -0.002 0.000 1.040 2098 T CA 1.811 63.907 62.100 -0.007 0.000 1.141 2098 T CB -0.319 68.544 68.868 -0.008 0.000 0.868 2098 T HN 0.489 nan 8.240 nan 0.000 0.444 2099 K N 1.295 121.694 120.400 -0.001 0.000 2.020 2099 K HA -0.038 4.283 4.320 0.001 0.000 0.212 2099 K C 2.639 179.241 176.600 0.005 0.000 1.050 2099 K CA 1.493 57.781 56.287 0.002 0.000 0.929 2099 K CB -0.823 31.677 32.500 0.001 0.000 0.714 2099 K HN 0.437 nan 8.250 nan 0.000 0.443 2100 A N 0.456 123.279 122.820 0.005 0.000 1.978 2100 A HA -0.109 4.212 4.320 0.001 0.000 0.220 2100 A C 2.113 179.705 177.584 0.014 0.000 1.170 2100 A CA 1.985 54.029 52.037 0.010 0.000 0.636 2100 A CB -0.629 18.378 19.000 0.011 0.000 0.810 2100 A HN 0.500 nan 8.150 nan 0.000 0.448 2101 A N -0.901 121.927 122.820 0.012 0.000 2.275 2101 A HA 0.605 4.926 4.320 0.001 0.000 0.212 2101 A C 1.227 178.819 177.584 0.014 0.000 1.201 2101 A CA 0.574 52.621 52.037 0.017 0.000 0.843 2101 A CB -0.752 18.258 19.000 0.017 0.000 0.873 2101 A HN 1.100 nan 8.150 nan 0.000 0.492 2102 A N 0.361 123.187 122.820 0.010 0.000 2.524 2102 A HA 0.404 4.725 4.320 0.001 0.000 0.271 2102 A C 1.506 179.096 177.584 0.010 0.000 1.097 2102 A CA 0.676 52.718 52.037 0.008 0.000 0.791 2102 A CB -1.315 17.689 19.000 0.006 0.000 1.028 2102 A HN 1.975 nan 8.150 nan 0.000 0.518 2103 G N 2.379 111.185 108.800 0.011 0.000 2.273 2103 G HA2 -0.218 3.743 3.960 0.001 0.000 0.280 2103 G HA3 -0.218 3.743 3.960 0.001 0.000 0.280 2103 G C 0.082 174.991 174.900 0.014 0.000 1.047 2103 G CA 0.559 45.666 45.100 0.011 0.000 0.869 2103 G HN 0.761 nan 8.290 nan 0.000 0.502 2104 K N -0.600 119.810 120.400 0.018 0.000 2.095 2104 K HA 0.683 5.004 4.320 0.001 0.000 0.252 2104 K C 0.375 176.989 176.600 0.024 0.000 0.977 2104 K CA -0.768 55.532 56.287 0.022 0.000 0.900 2104 K CB 2.272 34.789 32.500 0.028 0.000 1.060 2104 K HN 0.107 nan 8.250 nan 0.000 0.449 2105 V N 0.942 120.870 119.914 0.024 0.000 2.532 2105 V HA 0.193 4.314 4.120 0.001 0.000 0.295 2105 V C 1.808 177.920 176.094 0.030 0.000 1.041 2105 V CA -0.138 62.176 62.300 0.023 0.000 0.926 2105 V CB 1.114 32.947 31.823 0.017 0.000 0.992 2105 V HN 1.049 nan 8.190 nan 0.000 0.457 2106 G N 2.586 111.405 108.800 0.031 0.000 2.960 2106 G HA2 -0.424 3.537 3.960 0.001 0.000 0.269 2106 G HA3 -0.424 3.537 3.960 0.001 0.000 0.269 2106 G C 0.958 175.884 174.900 0.044 0.000 1.073 2106 G CA 2.118 47.241 45.100 0.039 0.000 0.743 2106 G HN 0.845 nan 8.290 nan 0.000 0.661 2107 D N 0.562 120.979 120.400 0.029 0.000 2.144 2107 D HA 0.004 4.645 4.640 0.001 0.000 0.199 2107 D C 1.194 177.513 176.300 0.031 0.000 0.984 2107 D CA 0.613 54.625 54.000 0.020 0.000 0.834 2107 D CB -0.126 40.678 40.800 0.007 0.000 0.955 2107 D HN 0.318 nan 8.370 nan 0.000 0.465 2108 D N -0.517 119.907 120.400 0.040 0.000 2.586 2108 D HA -0.074 4.566 4.640 0.001 0.000 0.234 2108 D C -1.580 174.771 176.300 0.084 0.000 1.132 2108 D CA -0.970 53.059 54.000 0.049 0.000 0.860 2108 D CB 1.327 42.154 40.800 0.045 0.000 1.159 2108 D HN 0.005 nan 8.370 nan 0.000 0.490 2109 P HA -0.170 nan 4.420 nan 0.000 0.217 2109 P C 0.926 178.330 177.300 0.175 0.000 1.148 2109 P CA 1.526 64.708 63.100 0.136 0.000 0.828 2109 P CB 0.158 31.912 31.700 0.090 0.000 0.783 2110 A N -0.830 122.054 122.820 0.108 0.000 1.972 2110 A HA -0.158 4.163 4.320 0.001 0.000 0.219 2110 A C 2.295 179.927 177.584 0.080 0.000 1.169 2110 A CA 1.696 53.782 52.037 0.081 0.000 0.635 2110 A CB -1.597 17.433 19.000 0.050 0.000 0.810 2110 A HN 0.066 nan 8.150 nan 0.000 0.446 2111 V N -1.139 118.836 119.914 0.101 0.000 2.358 2111 V HA -0.242 3.878 4.120 0.001 0.000 0.246 2111 V C 2.213 178.385 176.094 0.131 0.000 1.047 2111 V CA 1.588 63.944 62.300 0.094 0.000 1.035 2111 V CB -0.954 30.922 31.823 0.089 0.000 0.658 2111 V HN 0.876 nan 8.190 nan 0.000 0.452 2112 W N 1.012 122.312 121.300 0.001 0.000 2.335 2112 W HA -0.279 4.381 4.660 0.001 0.000 0.311 2112 W C 2.278 178.798 176.519 0.002 0.000 1.213 2112 W CA 2.113 59.459 57.345 0.002 0.000 1.274 2112 W CB -0.232 29.229 29.460 0.001 0.000 1.148 2112 W HN 0.307 nan 8.180 nan 0.000 0.498 2113 Q N 0.194 119.970 119.800 -0.039 0.000 2.124 2113 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 2113 Q C 2.268 178.166 176.000 -0.170 0.000 0.977 2113 Q CA 1.885 57.598 55.803 -0.151 0.000 0.850 2113 Q CB -0.560 28.183 28.738 0.008 0.000 0.901 2113 Q HN 0.261 nan 8.270 nan 0.000 0.429 2114 L N 1.216 122.381 121.223 -0.096 0.000 2.017 2114 L HA -0.205 4.136 4.340 0.001 0.000 0.208 2114 L C 1.803 178.591 176.870 -0.136 0.000 1.073 2114 L CA 1.896 56.685 54.840 -0.086 0.000 0.745 2114 L CB -0.274 41.764 42.059 -0.037 0.000 0.894 2114 L HN -0.009 nan 8.230 nan 0.000 0.432 2115 K N -0.488 119.807 120.400 -0.174 0.000 2.032 2115 K HA -0.231 4.090 4.320 0.001 0.000 0.209 2115 K C 2.089 178.505 176.600 -0.307 0.000 1.048 2115 K CA 1.952 58.114 56.287 -0.209 0.000 0.927 2115 K CB -0.426 31.965 32.500 -0.182 0.000 0.712 2115 K HN 0.496 nan 8.250 nan 0.000 0.441 2116 N N 0.208 118.609 118.700 -0.498 0.000 2.166 2116 N HA -0.168 4.573 4.740 0.001 0.000 0.186 2116 N C 1.883 177.244 175.510 -0.248 0.000 1.019 2116 N CA 1.180 53.953 53.050 -0.463 0.000 0.856 2116 N CB 0.026 38.136 38.487 -0.630 0.000 0.993 2116 N HN 0.012 nan 8.380 nan 0.000 0.426 2117 S N -0.584 114.998 115.700 -0.197 0.000 2.383 2117 S HA -0.020 4.451 4.470 0.001 0.000 0.227 2117 S C 1.882 176.425 174.600 -0.095 0.000 1.026 2117 S CA 1.086 59.215 58.200 -0.118 0.000 0.981 2117 S CB -0.348 62.798 63.200 -0.090 0.000 0.818 2117 S HN 0.483 nan 8.310 nan 0.000 0.472 2118 A N 1.025 123.784 122.820 -0.101 0.000 1.930 2118 A HA 0.004 4.325 4.320 0.001 0.000 0.217 2118 A C 2.117 179.658 177.584 -0.072 0.000 1.175 2118 A CA 1.580 53.572 52.037 -0.074 0.000 0.627 2118 A CB -0.549 18.409 19.000 -0.069 0.000 0.815 2118 A HN 0.596 nan 8.150 nan 0.000 0.443 2119 K N -0.331 120.012 120.400 -0.096 0.000 2.057 2119 K HA 0.012 4.333 4.320 0.001 0.000 0.206 2119 K C 0.732 177.293 176.600 -0.065 0.000 1.050 2119 K CA 0.739 56.977 56.287 -0.081 0.000 0.935 2119 K CB -0.247 32.190 32.500 -0.105 0.000 0.715 2119 K HN 0.278 nan 8.250 nan 0.000 0.439 2123 T N 1.238 115.780 114.554 -0.020 0.000 2.684 2123 T HA -0.175 4.176 4.350 0.001 0.000 0.267 2123 T C 1.662 176.356 174.700 -0.010 0.000 1.036 2123 T CA 2.289 64.380 62.100 -0.015 0.000 1.148 2123 T CB -0.300 68.557 68.868 -0.019 0.000 0.863 2123 T HN 0.456 nan 8.240 nan 0.000 0.436 2124 N N 0.728 119.421 118.700 -0.012 0.000 2.084 2124 N HA -0.074 4.667 4.740 0.001 0.000 0.190 2124 N C 2.044 177.553 175.510 -0.002 0.000 1.030 2124 N CA 1.022 54.068 53.050 -0.007 0.000 0.849 2124 N CB -0.416 38.066 38.487 -0.008 0.000 1.012 2124 N HN 0.206 nan 8.380 nan 0.000 0.423 2125 V N 1.575 121.488 119.914 -0.002 0.000 2.287 2125 V HA -0.236 3.885 4.120 0.001 0.000 0.248 2125 V C 2.721 178.818 176.094 0.006 0.000 1.053 2125 V CA 2.321 64.623 62.300 0.002 0.000 1.027 2125 V CB -1.237 30.586 31.823 -0.000 0.000 0.646 2125 V HN 0.538 nan 8.190 nan 0.000 0.447 2126 T N -2.821 111.734 114.554 0.003 0.000 2.867 2126 T HA -0.186 4.165 4.350 0.001 0.000 0.268 2126 T C 2.028 176.732 174.700 0.007 0.000 1.057 2126 T CA 1.618 63.721 62.100 0.005 0.000 1.136 2126 T CB -0.408 68.461 68.868 0.002 0.000 0.874 2126 T HN 0.397 nan 8.240 nan 0.000 0.466 2127 S N 0.977 116.680 115.700 0.005 0.000 2.368 2127 S HA -0.059 4.412 4.470 0.001 0.000 0.225 2127 S C 1.940 176.546 174.600 0.010 0.000 1.030 2127 S CA 1.105 59.308 58.200 0.005 0.000 0.999 2127 S CB -0.674 62.526 63.200 0.001 0.000 0.844 2127 S HN 0.461 nan 8.310 nan 0.000 0.459 2128 L N 1.805 123.037 121.223 0.014 0.000 2.012 2128 L HA -0.022 4.319 4.340 0.001 0.000 0.210 2128 L C 2.126 179.018 176.870 0.036 0.000 1.073 2128 L CA 1.869 56.724 54.840 0.024 0.000 0.748 2128 L CB -0.756 41.319 42.059 0.027 0.000 0.891 2128 L HN 0.413 nan 8.230 nan 0.000 0.431 2129 L N -0.600 120.642 121.223 0.032 0.000 2.083 2129 L HA -0.218 4.123 4.340 0.001 0.000 0.209 2129 L C 2.646 179.539 176.870 0.039 0.000 1.083 2129 L CA 1.711 56.575 54.840 0.040 0.000 0.752 2129 L CB -0.645 41.431 42.059 0.029 0.000 0.899 2129 L HN 0.372 nan 8.230 nan 0.000 0.433 2130 K N -0.036 120.379 120.400 0.025 0.000 2.025 2130 K HA -0.149 4.171 4.320 0.001 0.000 0.207 2130 K C 2.032 178.640 176.600 0.014 0.000 1.049 2130 K CA 1.812 58.110 56.287 0.018 0.000 0.933 2130 K CB -0.080 32.426 32.500 0.010 0.000 0.714 2130 K HN 0.103 nan 8.250 nan 0.000 0.438 2131 T N 0.810 115.370 114.554 0.010 0.000 2.665 2131 T HA -0.150 4.201 4.350 0.001 0.000 0.268 2131 T C 1.842 176.541 174.700 -0.001 0.000 1.035 2131 T CA 1.611 63.709 62.100 -0.004 0.000 1.151 2131 T CB -0.260 68.605 68.868 -0.005 0.000 0.862 2131 T HN 0.024 nan 8.240 nan 0.000 0.438 2132 V N 1.660 121.605 119.914 0.052 0.000 2.332 2132 V HA -0.205 3.916 4.120 0.001 0.000 0.248 2132 V C 2.519 178.685 176.094 0.121 0.000 1.055 2132 V CA 1.877 64.258 62.300 0.136 0.000 1.038 2132 V CB -0.572 31.385 31.823 0.224 0.000 0.651 2132 V HN 0.489 nan 8.190 nan 0.000 0.450 2133 K N 0.348 120.797 120.400 0.081 0.000 2.063 2133 K HA -0.209 4.112 4.320 0.001 0.000 0.208 2133 K C 2.153 178.768 176.600 0.025 0.000 1.048 2133 K CA 1.724 58.048 56.287 0.062 0.000 0.928 2133 K CB -0.332 32.194 32.500 0.043 0.000 0.713 2133 K HN 0.421 nan 8.250 nan 0.000 0.442 2134 A N 0.810 123.627 122.820 -0.004 0.000 1.902 2134 A HA -0.094 4.226 4.320 0.001 0.000 0.217 2134 A C 2.261 179.805 177.584 -0.066 0.000 1.181 2134 A CA 1.593 53.613 52.037 -0.028 0.000 0.623 2134 A CB -0.685 18.295 19.000 -0.033 0.000 0.818 2134 A HN 0.174 nan 8.150 nan 0.000 0.443 2135 V N 0.023 119.861 119.914 -0.127 0.000 2.231 2135 V HA -0.330 3.791 4.120 0.001 0.000 0.248 2135 V C 2.566 178.541 176.094 -0.200 0.000 1.054 2135 V CA 2.540 64.678 62.300 -0.269 0.000 1.015 2135 V CB -0.786 30.679 31.823 -0.596 0.000 0.638 2135 V HN 0.779 nan 8.190 nan 0.000 0.444 2136 E N -0.381 119.782 120.200 -0.061 0.000 2.110 2136 E HA -0.262 4.089 4.350 0.001 0.000 0.193 2136 E C 1.856 178.485 176.600 0.049 0.000 0.988 2136 E CA 1.481 57.945 56.400 0.106 0.000 0.804 2136 E CB -0.074 29.773 29.700 0.246 0.000 0.745 2136 E HN 0.624 nan 8.360 nan 0.000 0.458 2137 D N 0.493 120.905 120.400 0.020 0.000 2.097 2137 D HA -0.153 4.487 4.640 0.001 0.000 0.195 2137 D C 1.828 178.125 176.300 -0.004 0.000 0.989 2137 D CA 0.793 54.800 54.000 0.011 0.000 0.827 2137 D CB -0.175 40.629 40.800 0.006 0.000 0.966 2137 D HN 0.164 nan 8.370 nan 0.000 0.456 2138 E N 0.459 120.644 120.200 -0.025 0.000 2.153 2138 E HA -0.088 4.263 4.350 0.001 0.000 0.194 2138 E C 1.917 178.502 176.600 -0.026 0.000 0.988 2138 E CA 0.692 57.072 56.400 -0.032 0.000 0.811 2138 E CB -0.138 29.530 29.700 -0.053 0.000 0.746 2138 E HN 0.201 nan 8.360 nan 0.000 0.466 2139 A N 0.610 123.416 122.820 -0.024 0.000 2.168 2139 A HA -0.063 4.258 4.320 0.001 0.000 0.215 2139 A C 1.923 179.518 177.584 0.018 0.000 1.152 2139 A CA 1.710 53.747 52.037 -0.000 0.000 0.716 2139 A CB -0.187 18.828 19.000 0.024 0.000 0.794 2139 A HN 0.279 nan 8.150 nan 0.000 0.465 2140 T N -3.284 111.281 114.554 0.017 0.000 3.111 2140 T HA 0.153 4.504 4.350 0.001 0.000 0.284 2140 T C 1.316 176.022 174.700 0.009 0.000 0.983 2140 T CA 0.316 62.427 62.100 0.018 0.000 0.900 2140 T CB -0.068 68.817 68.868 0.028 0.000 1.132 2140 T HN 0.605 nan 8.240 nan 0.000 0.531 2141 K N 1.610 122.012 120.400 0.004 0.000 2.057 2141 K HA 0.035 4.356 4.320 0.001 0.000 0.207 2141 K C 2.337 178.938 176.600 0.000 0.000 1.049 2141 K CA 1.707 57.995 56.287 0.001 0.000 0.931 2141 K CB -1.019 31.479 32.500 -0.003 0.000 0.714 2141 K HN 0.276 nan 8.250 nan 0.000 0.440 2142 G N 0.872 109.672 108.800 -0.001 0.000 2.394 2142 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 2142 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 2142 G C 1.421 176.320 174.900 -0.002 0.000 1.165 2142 G CA 1.113 46.212 45.100 -0.002 0.000 0.784 2142 G HN 0.350 nan 8.290 nan 0.000 0.535 2143 T N 0.684 115.237 114.554 -0.002 0.000 2.699 2143 T HA -0.132 4.219 4.350 0.001 0.000 0.268 2143 T C 2.466 177.166 174.700 -0.000 0.000 1.036 2143 T CA 1.344 63.441 62.100 -0.005 0.000 1.147 2143 T CB -0.135 68.732 68.868 -0.003 0.000 0.862 2143 T HN 0.250 nan 8.240 nan 0.000 0.446 2144 R N 0.435 120.937 120.500 0.004 0.000 2.153 2144 R HA 0.221 4.562 4.340 0.001 0.000 0.218 2144 R C 2.777 179.082 176.300 0.008 0.000 1.072 2144 R CA 0.824 56.928 56.100 0.007 0.000 0.990 2144 R CB -0.266 30.039 30.300 0.008 0.000 0.889 2144 R HN 0.343 nan 8.270 nan 0.000 0.452 2145 A N 1.156 123.979 122.820 0.005 0.000 1.898 2145 A HA -0.148 4.173 4.320 0.001 0.000 0.216 2145 A C 1.984 179.573 177.584 0.010 0.000 1.181 2145 A CA 0.983 53.024 52.037 0.005 0.000 0.620 2145 A CB -0.396 18.605 19.000 0.001 0.000 0.819 2145 A HN 0.182 nan 8.150 nan 0.000 0.442 2146 L N 0.293 121.521 121.223 0.008 0.000 2.083 2146 L HA -0.138 4.203 4.340 0.001 0.000 0.209 2146 L C 2.209 179.089 176.870 0.017 0.000 1.083 2146 L CA 2.218 57.066 54.840 0.012 0.000 0.752 2146 L CB -0.776 41.283 42.059 -0.000 0.000 0.899 2146 L HN 0.536 nan 8.230 nan 0.000 0.433 2147 E N -0.706 119.501 120.200 0.012 0.000 2.051 2147 E HA -0.216 4.135 4.350 0.001 0.000 0.192 2147 E C 2.184 178.801 176.600 0.028 0.000 0.991 2147 E CA 1.158 57.567 56.400 0.015 0.000 0.799 2147 E CB -0.336 29.369 29.700 0.009 0.000 0.748 2147 E HN 0.599 nan 8.360 nan 0.000 0.449 2148 A N 0.866 123.703 122.820 0.029 0.000 1.940 2148 A HA -0.206 4.115 4.320 0.001 0.000 0.219 2148 A C 2.358 179.982 177.584 0.066 0.000 1.176 2148 A CA 1.929 53.991 52.037 0.042 0.000 0.631 2148 A CB -0.853 18.166 19.000 0.031 0.000 0.814 2148 A HN 0.176 nan 8.150 nan 0.000 0.446 2149 T N 0.018 114.606 114.554 0.056 0.000 2.777 2149 T HA -0.126 4.225 4.350 0.001 0.000 0.266 2149 T C 2.204 176.968 174.700 0.106 0.000 1.040 2149 T CA 2.137 64.282 62.100 0.075 0.000 1.141 2149 T CB -0.572 68.327 68.868 0.051 0.000 0.868 2149 T HN 0.851 nan 8.240 nan 0.000 0.444 2150 T N 0.143 114.744 114.554 0.079 0.000 2.833 2150 T HA -0.076 4.275 4.350 0.001 0.000 0.269 2150 T C 1.813 176.554 174.700 0.069 0.000 1.054 2150 T CA 1.319 63.463 62.100 0.074 0.000 1.135 2150 T CB -0.207 68.688 68.868 0.045 0.000 0.869 2150 T HN 0.216 nan 8.240 nan 0.000 0.466 2151 E N 0.675 120.915 120.200 0.067 0.000 2.072 2151 E HA -0.060 4.291 4.350 0.001 0.000 0.190 2151 E C 1.971 178.608 176.600 0.061 0.000 0.982 2151 E CA 1.104 57.536 56.400 0.053 0.000 0.803 2151 E CB -0.499 29.226 29.700 0.042 0.000 0.755 2151 E HN 0.821 nan 8.360 nan 0.000 0.453 2152 H N -0.329 118.750 119.070 0.014 0.000 2.319 2152 H HA -0.069 4.488 4.556 0.001 0.000 0.299 2152 H C 1.916 177.249 175.328 0.008 0.000 1.092 2152 H CA 2.155 58.209 56.048 0.010 0.000 1.302 2152 H CB -0.117 29.650 29.762 0.008 0.000 1.373 2152 H HN 0.171 nan 8.280 nan 0.000 0.497 2153 I N 0.081 120.741 120.570 0.149 0.000 2.208 2153 I HA -0.302 3.869 4.170 0.001 0.000 0.245 2153 I C 2.608 178.731 176.117 0.010 0.000 1.097 2153 I CA 1.411 62.760 61.300 0.081 0.000 1.363 2153 I CB -0.298 37.759 38.000 0.095 0.000 1.051 2153 I HN 0.291 nan 8.210 nan 0.000 0.413 2154 R N 0.406 120.914 120.500 0.012 0.000 2.083 2154 R HA -0.227 4.114 4.340 0.001 0.000 0.237 2154 R C 2.357 178.639 176.300 -0.030 0.000 1.137 2154 R CA 1.689 57.788 56.100 -0.002 0.000 0.951 2154 R CB -0.361 29.944 30.300 0.007 0.000 0.851 2154 R HN 0.478 nan 8.270 nan 0.000 0.434 2155 Q N 0.102 119.857 119.800 -0.076 0.000 2.096 2155 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 2155 Q C 1.997 177.930 176.000 -0.111 0.000 0.982 2155 Q CA 1.241 56.977 55.803 -0.112 0.000 0.850 2155 Q CB -0.006 28.612 28.738 -0.199 0.000 0.901 2155 Q HN 0.239 nan 8.270 nan 0.000 0.422 2156 E N 0.564 120.679 120.200 -0.142 0.000 2.085 2156 E HA -0.177 4.174 4.350 0.001 0.000 0.194 2156 E C 1.965 178.569 176.600 0.006 0.000 0.994 2156 E CA 0.815 57.170 56.400 -0.074 0.000 0.801 2156 E CB -0.206 29.465 29.700 -0.047 0.000 0.743 2156 E HN 0.221 nan 8.360 nan 0.000 0.453 2157 L N 0.659 121.884 121.223 0.002 0.000 2.109 2157 L HA 0.041 4.381 4.340 0.001 0.000 0.207 2157 L C 2.154 179.091 176.870 0.113 0.000 1.086 2157 L CA 1.764 56.632 54.840 0.048 0.000 0.760 2157 L CB -0.813 41.248 42.059 0.003 0.000 0.910 2157 L HN 0.022 nan 8.230 nan 0.000 0.437 2158 A N -0.924 121.927 122.820 0.051 0.000 1.917 2158 A HA -0.189 4.132 4.320 0.001 0.000 0.219 2158 A C 2.275 179.884 177.584 0.042 0.000 1.182 2158 A CA 2.243 54.304 52.037 0.041 0.000 0.633 2158 A CB -1.152 17.852 19.000 0.008 0.000 0.819 2158 A HN 0.300 nan 8.150 nan 0.000 0.448 2159 V N -1.306 118.628 119.914 0.034 0.000 2.295 2159 V HA -0.238 3.883 4.120 0.001 0.000 0.246 2159 V C 2.264 178.385 176.094 0.046 0.000 1.049 2159 V CA 2.096 64.406 62.300 0.018 0.000 1.024 2159 V CB -0.986 30.837 31.823 -0.000 0.000 0.648 2159 V HN 0.641 nan 8.190 nan 0.000 0.447 2160 F N 0.618 120.535 119.950 -0.055 0.000 2.091 2160 F HA -0.286 4.242 4.527 0.001 0.000 0.299 2160 F C 2.267 178.049 175.800 -0.030 0.000 1.103 2160 F CA 2.210 60.180 58.000 -0.050 0.000 1.228 2160 F CB -0.495 38.486 39.000 -0.033 0.000 0.984 2160 F HN 0.160 nan 8.300 nan 0.000 0.477 2161 C N 0.586 119.937 119.300 0.086 0.000 2.539 2161 C HA 0.108 4.569 4.460 0.001 0.000 0.268 2161 C C 1.570 176.533 174.990 -0.044 0.000 1.395 2161 C CA 0.378 59.396 59.018 -0.000 0.000 1.757 2161 C CB -2.037 25.767 27.740 0.108 0.000 1.851 2161 C HN 0.564 nan 8.230 nan 0.000 0.545 2162 S N 2.490 118.162 115.700 -0.047 0.000 2.576 2162 S HA 0.120 4.591 4.470 0.001 0.000 0.272 2162 S C -1.172 173.388 174.600 -0.066 0.000 1.352 2162 S CA -0.404 57.767 58.200 -0.047 0.000 1.021 2162 S CB 0.367 63.540 63.200 -0.046 0.000 0.887 2162 S HN 0.298 nan 8.310 nan 0.000 0.542 2163 P HA 0.032 nan 4.420 nan 0.000 0.237 2163 P C 0.141 177.416 177.300 -0.043 0.000 1.178 2163 P CA 0.386 63.476 63.100 -0.018 0.000 0.766 2163 P CB -0.423 31.276 31.700 -0.002 0.000 0.876 2164 E N 1.957 122.105 120.200 -0.087 0.000 2.383 2164 E HA 0.280 4.631 4.350 0.001 0.000 0.264 2164 E C -2.144 174.310 176.600 -0.243 0.000 1.050 2164 E CA -2.223 54.108 56.400 -0.117 0.000 0.896 2164 E CB -0.242 29.398 29.700 -0.099 0.000 0.982 2164 E HN 0.110 nan 8.360 nan 0.000 0.424 2165 P HA 0.191 nan 4.420 nan 0.000 0.274 2165 P C -2.402 174.630 177.300 -0.446 0.000 1.256 2165 P CA -1.414 61.404 63.100 -0.469 0.000 0.795 2165 P CB -0.030 31.549 31.700 -0.202 0.000 1.038 2166 P HA 0.104 nan 4.420 nan 0.000 0.274 2166 P C 0.522 177.724 177.300 -0.163 0.000 1.256 2166 P CA -0.214 62.702 63.100 -0.305 0.000 0.795 2166 P CB 0.272 31.805 31.700 -0.278 0.000 1.038 2167 A N 1.012 123.773 122.820 -0.098 0.000 2.019 2167 A HA -0.100 4.221 4.320 0.001 0.000 0.219 2167 A C 0.994 178.557 177.584 -0.034 0.000 1.164 2167 A CA 1.555 53.559 52.037 -0.056 0.000 0.644 2167 A CB -0.728 18.251 19.000 -0.035 0.000 0.805 2167 A HN 0.727 nan 8.150 nan 0.000 0.449 2168 K N -2.538 117.847 120.400 -0.025 0.000 2.556 2168 K HA 0.463 4.783 4.320 0.001 0.000 0.289 2168 K C -0.658 175.962 176.600 0.032 0.000 1.040 2168 K CA -0.216 56.076 56.287 0.008 0.000 0.894 2168 K CB 0.450 32.962 32.500 0.021 0.000 1.547 2168 K HN 0.058 nan 8.250 nan 0.000 0.417 2169 T N -1.465 113.137 114.554 0.081 0.000 2.912 2169 T HA 0.652 5.003 4.350 0.001 0.000 0.280 2169 T C 0.166 174.948 174.700 0.137 0.000 0.989 2169 T CA -0.191 62.003 62.100 0.157 0.000 0.995 2169 T CB 1.215 70.250 68.868 0.278 0.000 1.077 2169 T HN 0.862 nan 8.240 nan 0.000 0.531 2170 S N -0.260 115.519 115.700 0.131 0.000 2.776 2170 S HA 0.728 5.199 4.470 0.001 0.000 0.292 2170 S C -0.192 174.420 174.600 0.019 0.000 1.187 2170 S CA -0.573 57.673 58.200 0.077 0.000 0.834 2170 S CB 0.945 64.185 63.200 0.067 0.000 1.199 2170 S HN 1.277 nan 8.310 nan 0.000 0.514 2171 T N -1.626 112.935 114.554 0.011 0.000 2.918 2171 T HA 0.563 4.914 4.350 0.001 0.000 0.283 2171 T C -2.170 172.567 174.700 0.061 0.000 1.001 2171 T CA -1.710 60.373 62.100 -0.028 0.000 1.041 2171 T CB 0.634 69.492 68.868 -0.016 0.000 1.028 2171 T HN 0.310 nan 8.240 nan 0.000 0.511 2172 P HA -0.077 nan 4.420 nan 0.000 0.217 2172 P C 1.090 178.444 177.300 0.091 0.000 1.148 2172 P CA 1.014 64.196 63.100 0.137 0.000 0.828 2172 P CB 0.078 31.818 31.700 0.067 0.000 0.783 2173 E N -0.845 119.381 120.200 0.043 0.000 2.106 2173 E HA -0.177 4.174 4.350 0.001 0.000 0.192 2173 E C 1.784 178.406 176.600 0.038 0.000 0.984 2173 E CA 1.182 57.593 56.400 0.018 0.000 0.806 2173 E CB -0.890 28.814 29.700 0.006 0.000 0.750 2173 E HN 0.276 nan 8.360 nan 0.000 0.458 2174 D N -0.119 120.323 120.400 0.071 0.000 2.097 2174 D HA -0.189 4.452 4.640 0.001 0.000 0.195 2174 D C 1.660 178.053 176.300 0.155 0.000 0.989 2174 D CA 0.918 54.971 54.000 0.089 0.000 0.827 2174 D CB -0.245 40.608 40.800 0.088 0.000 0.966 2174 D HN 0.248 nan 8.370 nan 0.000 0.456 2175 F N 0.525 120.484 119.950 0.016 0.000 2.095 2175 F HA -0.184 4.343 4.527 0.001 0.000 0.298 2175 F C 2.132 177.942 175.800 0.016 0.000 1.104 2175 F CA 1.085 59.101 58.000 0.027 0.000 1.232 2175 F CB -0.091 38.935 39.000 0.043 0.000 0.987 2175 F HN -0.036 nan 8.300 nan 0.000 0.475 2176 I N 0.228 120.688 120.570 -0.182 0.000 2.163 2176 I HA -0.262 3.909 4.170 0.001 0.000 0.243 2176 I C 1.896 177.941 176.117 -0.120 0.000 1.085 2176 I CA 0.933 62.074 61.300 -0.266 0.000 1.347 2176 I CB -0.575 37.315 38.000 -0.183 0.000 1.044 2176 I HN 0.080 nan 8.210 nan 0.000 0.408 2180 K N 1.526 121.894 120.400 -0.055 0.000 2.209 2180 K HA 0.066 4.387 4.320 0.001 0.000 0.204 2180 K C 2.300 178.886 176.600 -0.024 0.000 1.048 2180 K CA 1.257 57.519 56.287 -0.041 0.000 0.940 2180 K CB -0.294 32.181 32.500 -0.043 0.000 0.729 2180 K HN 0.395 nan 8.250 nan 0.000 0.451 2181 G N 1.740 110.526 108.800 -0.022 0.000 2.450 2181 G HA2 -0.225 3.735 3.960 0.001 0.000 0.220 2181 G HA3 -0.225 3.735 3.960 0.001 0.000 0.220 2181 G C 1.381 176.262 174.900 -0.031 0.000 1.130 2181 G CA 0.505 45.592 45.100 -0.023 0.000 0.760 2181 G HN 0.087 nan 8.290 nan 0.000 0.557 2182 I N 1.691 122.235 120.570 -0.043 0.000 2.208 2182 I HA -0.090 4.081 4.170 0.001 0.000 0.245 2182 I C 1.951 178.086 176.117 0.030 0.000 1.097 2182 I CA 0.765 62.034 61.300 -0.051 0.000 1.363 2182 I CB -1.792 36.178 38.000 -0.050 0.000 1.051 2182 I HN 0.046 nan 8.210 nan 0.000 0.413 2186 T N 1.163 115.888 114.554 0.285 0.000 2.652 2186 T HA -0.054 4.297 4.350 0.001 0.000 0.267 2186 T C 2.193 176.957 174.700 0.107 0.000 1.039 2186 T CA 2.635 64.884 62.100 0.249 0.000 1.153 2186 T CB -0.548 68.447 68.868 0.212 0.000 0.863 2186 T HN 0.966 nan 8.240 nan 0.000 0.428 2187 A N 1.602 124.473 122.820 0.084 0.000 1.892 2187 A HA -0.204 4.116 4.320 0.001 0.000 0.218 2187 A C 2.179 179.790 177.584 0.046 0.000 1.188 2187 A CA 2.365 54.433 52.037 0.051 0.000 0.631 2187 A CB -0.626 18.398 19.000 0.040 0.000 0.822 2187 A HN 0.421 nan 8.150 nan 0.000 0.447 2188 K N 0.053 120.486 120.400 0.056 0.000 2.032 2188 K HA -0.056 4.264 4.320 0.001 0.000 0.209 2188 K C 2.045 178.669 176.600 0.040 0.000 1.048 2188 K CA 1.859 58.174 56.287 0.047 0.000 0.927 2188 K CB -0.655 31.878 32.500 0.055 0.000 0.712 2188 K HN 0.345 nan 8.250 nan 0.000 0.441 2189 A N 0.105 122.955 122.820 0.050 0.000 1.883 2189 A HA -0.138 4.183 4.320 0.001 0.000 0.217 2189 A C 2.360 179.940 177.584 -0.007 0.000 1.186 2189 A CA 2.028 54.069 52.037 0.006 0.000 0.624 2189 A CB -0.942 18.024 19.000 -0.056 0.000 0.822 2189 A HN 0.146 nan 8.150 nan 0.000 0.444 2190 V N -0.155 119.761 119.914 0.004 0.000 2.332 2190 V HA -0.281 3.839 4.120 0.001 0.000 0.248 2190 V C 3.038 179.142 176.094 0.017 0.000 1.055 2190 V CA 2.052 64.361 62.300 0.015 0.000 1.038 2190 V CB -1.244 30.593 31.823 0.024 0.000 0.651 2190 V HN 0.639 nan 8.190 nan 0.000 0.450 2191 A N -0.178 122.652 122.820 0.017 0.000 1.898 2191 A HA -0.062 4.258 4.320 0.001 0.000 0.216 2191 A C 2.412 180.001 177.584 0.009 0.000 1.181 2191 A CA 1.946 53.991 52.037 0.015 0.000 0.620 2191 A CB -0.701 18.308 19.000 0.016 0.000 0.819 2191 A HN 0.567 nan 8.150 nan 0.000 0.442 2192 A N -0.486 122.338 122.820 0.007 0.000 1.930 2192 A HA 0.158 4.479 4.320 0.001 0.000 0.217 2192 A C 2.375 179.955 177.584 -0.007 0.000 1.175 2192 A CA 1.787 53.824 52.037 0.000 0.000 0.627 2192 A CB -1.290 17.710 19.000 -0.000 0.000 0.815 2192 A HN 0.709 nan 8.150 nan 0.000 0.443 2193 G N -0.365 108.430 108.800 -0.009 0.000 2.432 2193 G HA2 -0.232 3.729 3.960 0.001 0.000 0.219 2193 G HA3 -0.232 3.729 3.960 0.001 0.000 0.219 2193 G C 1.448 176.346 174.900 -0.003 0.000 1.135 2193 G CA 0.929 46.020 45.100 -0.015 0.000 0.767 2193 G HN 0.566 nan 8.290 nan 0.000 0.550 2194 N N 0.600 119.305 118.700 0.008 0.000 2.300 2194 N HA -0.094 4.647 4.740 0.001 0.000 0.179 2194 N C 2.606 178.119 175.510 0.006 0.000 1.016 2194 N CA 1.435 54.492 53.050 0.012 0.000 0.876 2194 N CB -0.013 38.484 38.487 0.016 0.000 0.979 2194 N HN 0.468 nan 8.380 nan 0.000 0.432 2195 S N 0.085 115.787 115.700 0.004 0.000 2.425 2195 S HA -0.022 4.449 4.470 0.001 0.000 0.225 2195 S C 1.374 175.974 174.600 -0.001 0.000 1.024 2195 S CA 0.447 58.649 58.200 0.003 0.000 0.951 2195 S CB -0.265 62.936 63.200 0.003 0.000 0.796 2195 S HN 0.366 nan 8.310 nan 0.000 0.498 2196 C N 1.603 120.900 119.300 -0.005 0.000 4.297 2196 C HA -0.134 4.327 4.460 0.001 0.000 0.290 2196 C C 0.504 175.491 174.990 -0.005 0.000 1.444 2196 C CA 0.208 59.221 59.018 -0.008 0.000 1.982 2196 C CB -2.803 24.933 27.740 -0.007 0.000 1.276 2196 C HN 0.612 nan 8.230 nan 0.000 0.797 2197 R N 0.545 121.043 120.500 -0.004 0.000 2.248 2197 R HA 0.186 4.527 4.340 0.001 0.000 0.328 2197 R C 1.327 177.624 176.300 -0.005 0.000 1.067 2197 R CA -0.279 55.819 56.100 -0.004 0.000 0.924 2197 R CB 0.558 30.856 30.300 -0.003 0.000 1.013 2197 R HN 0.442 nan 8.270 nan 0.000 0.454 2198 Q N 1.860 121.656 119.800 -0.006 0.000 2.181 2198 Q HA -0.199 4.142 4.340 0.001 0.000 0.205 2198 Q C 1.135 177.132 176.000 -0.005 0.000 0.980 2198 Q CA 1.508 57.308 55.803 -0.006 0.000 0.862 2198 Q CB 0.260 28.994 28.738 -0.007 0.000 0.905 2198 Q HN 0.590 nan 8.270 nan 0.000 0.429 2199 E N 0.726 120.923 120.200 -0.005 0.000 2.106 2199 E HA -0.145 4.206 4.350 0.001 0.000 0.192 2199 E C 1.477 178.076 176.600 -0.002 0.000 0.984 2199 E CA 0.869 57.266 56.400 -0.004 0.000 0.806 2199 E CB -0.002 29.695 29.700 -0.005 0.000 0.750 2199 E HN 0.395 nan 8.360 nan 0.000 0.458 2200 D N 0.560 120.960 120.400 -0.001 0.000 2.144 2200 D HA -0.106 4.535 4.640 0.001 0.000 0.199 2200 D C 2.127 178.428 176.300 0.003 0.000 0.984 2200 D CA 0.581 54.582 54.000 0.002 0.000 0.834 2200 D CB -0.221 40.581 40.800 0.003 0.000 0.955 2200 D HN 0.022 nan 8.370 nan 0.000 0.465 2201 V N 1.150 121.064 119.914 -0.001 0.000 2.358 2201 V HA -0.194 3.927 4.120 0.001 0.000 0.246 2201 V C 2.512 178.608 176.094 0.003 0.000 1.047 2201 V CA 0.976 63.275 62.300 -0.001 0.000 1.035 2201 V CB -0.346 31.473 31.823 -0.007 0.000 0.658 2201 V HN 0.186 nan 8.190 nan 0.000 0.452 2202 I N 0.618 121.188 120.570 0.000 0.000 2.163 2202 I HA -0.276 3.895 4.170 0.001 0.000 0.243 2202 I C 2.687 178.805 176.117 0.001 0.000 1.085 2202 I CA 1.674 62.974 61.300 -0.000 0.000 1.347 2202 I CB -0.580 37.418 38.000 -0.003 0.000 1.044 2202 I HN 0.305 nan 8.210 nan 0.000 0.408 2203 A N 0.136 122.958 122.820 0.003 0.000 1.933 2203 A HA -0.196 4.125 4.320 0.001 0.000 0.218 2203 A C 2.367 179.958 177.584 0.013 0.000 1.175 2203 A CA 2.356 54.396 52.037 0.005 0.000 0.628 2203 A CB -1.051 17.952 19.000 0.005 0.000 0.814 2203 A HN 0.382 nan 8.150 nan 0.000 0.444 2204 T N 0.402 114.968 114.554 0.021 0.000 2.652 2204 T HA -0.095 4.256 4.350 0.001 0.000 0.267 2204 T C 2.259 176.987 174.700 0.048 0.000 1.039 2204 T CA 1.842 63.966 62.100 0.040 0.000 1.153 2204 T CB -0.576 68.312 68.868 0.033 0.000 0.863 2204 T HN 0.632 nan 8.240 nan 0.000 0.428 2205 A N 2.644 125.482 122.820 0.029 0.000 1.884 2205 A HA -0.250 4.071 4.320 0.001 0.000 0.219 2205 A C 2.256 179.842 177.584 0.005 0.000 1.197 2205 A CA 2.025 54.077 52.037 0.024 0.000 0.637 2205 A CB -0.812 18.194 19.000 0.009 0.000 0.827 2205 A HN 0.445 nan 8.150 nan 0.000 0.450 2206 N N -0.389 118.305 118.700 -0.008 0.000 2.084 2206 N HA -0.123 4.618 4.740 0.001 0.000 0.190 2206 N C 1.618 177.111 175.510 -0.029 0.000 1.030 2206 N CA 1.527 54.559 53.050 -0.030 0.000 0.849 2206 N CB -0.685 37.787 38.487 -0.025 0.000 1.012 2206 N HN 0.407 nan 8.380 nan 0.000 0.423 2207 L N 1.283 122.503 121.223 -0.006 0.000 2.017 2207 L HA -0.047 4.294 4.340 0.001 0.000 0.208 2207 L C 2.079 178.941 176.870 -0.013 0.000 1.073 2207 L CA 1.581 56.419 54.840 -0.005 0.000 0.745 2207 L CB -0.947 41.121 42.059 0.016 0.000 0.894 2207 L HN 0.011 nan 8.230 nan 0.000 0.432 2208 S N -0.420 115.297 115.700 0.028 0.000 2.370 2208 S HA -0.240 4.230 4.470 0.001 0.000 0.226 2208 S C 2.064 176.634 174.600 -0.049 0.000 1.033 2208 S CA 1.554 59.771 58.200 0.027 0.000 1.011 2208 S CB -0.456 62.890 63.200 0.245 0.000 0.852 2208 S HN 0.476 nan 8.310 nan 0.000 0.457 2209 R N 1.337 121.817 120.500 -0.033 0.000 2.073 2209 R HA -0.109 4.232 4.340 0.001 0.000 0.234 2209 R C 2.528 178.782 176.300 -0.077 0.000 1.134 2209 R CA 1.687 57.745 56.100 -0.070 0.000 0.952 2209 R CB -0.234 29.947 30.300 -0.198 0.000 0.850 2209 R HN 0.362 nan 8.270 nan 0.000 0.433 2210 R N 0.086 120.537 120.500 -0.082 0.000 2.073 2210 R HA -0.091 4.250 4.340 0.001 0.000 0.234 2210 R C 2.135 178.400 176.300 -0.059 0.000 1.134 2210 R CA 1.666 57.730 56.100 -0.061 0.000 0.952 2210 R CB -0.434 29.836 30.300 -0.051 0.000 0.850 2210 R HN 0.293 nan 8.270 nan 0.000 0.433 2211 A N 1.443 124.210 122.820 -0.088 0.000 1.877 2211 A HA -0.115 4.206 4.320 0.001 0.000 0.216 2211 A C 2.213 179.709 177.584 -0.147 0.000 1.186 2211 A CA 1.391 53.359 52.037 -0.115 0.000 0.620 2211 A CB -0.454 18.453 19.000 -0.155 0.000 0.822 2211 A HN 0.358 nan 8.150 nan 0.000 0.443 2212 I N -0.281 120.170 120.570 -0.198 0.000 2.252 2212 I HA -0.206 3.965 4.170 0.001 0.000 0.245 2212 I C 2.990 179.051 176.117 -0.094 0.000 1.102 2212 I CA 1.351 62.535 61.300 -0.192 0.000 1.385 2212 I CB -1.436 36.438 38.000 -0.210 0.000 1.064 2212 I HN 0.378 nan 8.210 nan 0.000 0.414 2213 A N 0.353 123.155 122.820 -0.030 0.000 1.892 2213 A HA -0.189 4.131 4.320 0.001 0.000 0.218 2213 A C 1.239 178.827 177.584 0.006 0.000 1.188 2213 A CA 1.379 53.429 52.037 0.020 0.000 0.631 2213 A CB -0.650 18.399 19.000 0.082 0.000 0.822 2213 A HN 0.332 nan 8.150 nan 0.000 0.447 2217 R N 1.242 121.784 120.500 0.071 0.000 2.080 2217 R HA -0.090 4.251 4.340 0.001 0.000 0.236 2217 R C 2.194 178.525 176.300 0.051 0.000 1.137 2217 R CA 1.947 58.088 56.100 0.068 0.000 0.943 2217 R CB -0.404 29.921 30.300 0.043 0.000 0.846 2217 R HN 0.434 nan 8.270 nan 0.000 0.431 2218 A N 0.578 123.432 122.820 0.056 0.000 1.898 2218 A HA -0.197 4.124 4.320 0.001 0.000 0.216 2218 A C 2.423 179.941 177.584 -0.110 0.000 1.181 2218 A CA 1.433 53.505 52.037 0.058 0.000 0.620 2218 A CB -1.049 18.050 19.000 0.166 0.000 0.819 2218 A HN 0.586 nan 8.150 nan 0.000 0.442 2219 C N -0.185 118.981 119.300 -0.225 0.000 2.388 2219 C HA -0.165 4.296 4.460 0.001 0.000 0.277 2219 C C 2.654 177.462 174.990 -0.303 0.000 1.210 2219 C CA 1.948 60.537 59.018 -0.716 0.000 1.743 2219 C CB -1.078 26.543 27.740 -0.200 0.000 2.047 2219 C HN 0.660 nan 8.230 nan 0.000 0.458 2220 K N 0.004 120.432 120.400 0.048 0.000 2.057 2220 K HA -0.133 4.188 4.320 0.001 0.000 0.206 2220 K C 2.106 178.716 176.600 0.017 0.000 1.050 2220 K CA 1.732 58.024 56.287 0.009 0.000 0.935 2220 K CB -0.246 32.180 32.500 -0.124 0.000 0.715 2220 K HN 0.645 nan 8.250 nan 0.000 0.439 2221 E N -0.095 120.096 120.200 -0.014 0.000 2.077 2221 E HA -0.180 4.171 4.350 0.001 0.000 0.193 2221 E C 1.947 178.595 176.600 0.081 0.000 0.989 2221 E CA 1.056 57.472 56.400 0.027 0.000 0.800 2221 E CB -0.081 29.632 29.700 0.022 0.000 0.746 2221 E HN 0.388 nan 8.360 nan 0.000 0.452 2222 A N 1.440 124.264 122.820 0.007 0.000 1.902 2222 A HA -0.098 4.223 4.320 0.001 0.000 0.217 2222 A C 2.377 180.000 177.584 0.064 0.000 1.181 2222 A CA 1.667 53.720 52.037 0.026 0.000 0.623 2222 A CB -0.601 18.404 19.000 0.008 0.000 0.818 2222 A HN 0.291 nan 8.150 nan 0.000 0.443 2223 A N -1.557 121.268 122.820 0.010 0.000 1.930 2223 A HA 0.040 4.361 4.320 0.001 0.000 0.217 2223 A C 1.759 179.388 177.584 0.075 0.000 1.175 2223 A CA 1.296 53.360 52.037 0.046 0.000 0.627 2223 A CB -0.631 18.384 19.000 0.023 0.000 0.815 2223 A HN 0.446 nan 8.150 nan 0.000 0.443 2224 F N -0.181 119.758 119.950 -0.018 0.000 2.811 2224 F HA 0.067 4.595 4.527 0.002 0.000 0.301 2224 F C 1.219 177.034 175.800 0.025 0.000 1.151 2224 F CA -0.085 57.907 58.000 -0.012 0.000 1.412 2224 F CB -0.271 38.703 39.000 -0.044 0.000 1.113 2224 F HN 0.305 nan 8.300 nan 0.000 0.579 2225 H N 2.057 121.195 119.070 0.113 0.000 3.004 2225 H HA -0.002 4.554 4.556 0.001 0.000 0.316 2225 H C -1.624 173.721 175.328 0.027 0.000 1.014 2225 H CA -1.053 55.036 56.048 0.068 0.000 1.454 2225 H CB 1.180 30.977 29.762 0.058 0.000 1.472 2225 H HN -0.009 nan 8.280 nan 0.000 0.571 2226 P HA -0.190 nan 4.420 nan 0.000 0.218 2226 P C 0.850 178.133 177.300 -0.028 0.000 1.150 2226 P CA 1.470 64.467 63.100 -0.172 0.000 0.841 2226 P CB 0.187 31.742 31.700 -0.243 0.000 0.784 2227 E N -1.081 119.204 120.200 0.142 0.000 2.511 2227 E HA 0.018 4.369 4.350 0.001 0.000 0.196 2227 E C -0.089 176.600 176.600 0.148 0.000 1.066 2227 E CA 0.063 56.582 56.400 0.197 0.000 0.871 2227 E CB 0.112 29.985 29.700 0.288 0.000 0.863 2227 E HN 0.090 nan 8.360 nan 0.000 0.520 2228 V N 1.685 121.682 119.914 0.138 0.000 2.407 2228 V HA 0.285 4.406 4.120 0.001 0.000 0.278 2228 V C 0.317 176.423 176.094 0.020 0.000 1.037 2228 V CA -0.598 61.748 62.300 0.076 0.000 0.900 2228 V CB 1.237 33.108 31.823 0.081 0.000 0.983 2228 V HN 0.108 nan 8.190 nan 0.000 0.459 2229 A N 6.822 129.651 122.820 0.016 0.000 2.407 2229 A HA 0.463 4.784 4.320 0.001 0.000 0.248 2229 A C -1.345 176.223 177.584 -0.026 0.000 1.082 2229 A CA -0.977 51.057 52.037 -0.005 0.000 0.785 2229 A CB 0.008 19.012 19.000 0.006 0.000 1.020 2229 A HN 0.720 nan 8.150 nan 0.000 0.489 2230 P HA -0.180 nan 4.420 nan 0.000 0.218 2230 P C 0.928 178.203 177.300 -0.041 0.000 1.148 2230 P CA 1.594 64.653 63.100 -0.068 0.000 0.822 2230 P CB 0.062 31.723 31.700 -0.066 0.000 0.784 2231 D N -0.743 119.647 120.400 -0.016 0.000 2.149 2231 D HA -0.090 4.551 4.640 0.001 0.000 0.201 2231 D C 1.694 178.012 176.300 0.030 0.000 0.972 2231 D CA 1.099 55.101 54.000 0.004 0.000 0.835 2231 D CB -0.830 39.975 40.800 0.009 0.000 0.966 2231 D HN 0.050 nan 8.370 nan 0.000 0.476 2232 V N 1.163 121.097 119.914 0.034 0.000 2.379 2232 V HA -0.184 3.937 4.120 0.001 0.000 0.245 2232 V C 2.905 179.046 176.094 0.077 0.000 1.044 2232 V CA 1.633 63.973 62.300 0.066 0.000 1.036 2232 V CB -0.838 31.023 31.823 0.064 0.000 0.664 2232 V HN 0.172 nan 8.190 nan 0.000 0.453 2233 R N 0.108 120.622 120.500 0.023 0.000 2.096 2233 R HA -0.221 4.119 4.340 0.001 0.000 0.240 2233 R C 2.286 178.595 176.300 0.014 0.000 1.139 2233 R CA 2.028 58.119 56.100 -0.015 0.000 0.952 2233 R CB -0.521 29.698 30.300 -0.135 0.000 0.854 2233 R HN 0.402 nan 8.270 nan 0.000 0.436 2234 L N 1.486 122.713 121.223 0.007 0.000 2.013 2234 L HA -0.208 4.133 4.340 0.001 0.000 0.212 2234 L C 2.551 179.491 176.870 0.116 0.000 1.073 2234 L CA 2.170 57.028 54.840 0.030 0.000 0.753 2234 L CB -0.794 41.266 42.059 0.001 0.000 0.890 2234 L HN 0.254 nan 8.230 nan 0.000 0.432 2235 R N -0.730 119.863 120.500 0.154 0.000 2.073 2235 R HA -0.157 4.184 4.340 0.001 0.000 0.234 2235 R C 2.159 178.693 176.300 0.391 0.000 1.134 2235 R CA 1.533 57.806 56.100 0.289 0.000 0.952 2235 R CB -0.466 29.993 30.300 0.265 0.000 0.850 2235 R HN 0.483 nan 8.270 nan 0.000 0.433 2236 A N 1.397 124.399 122.820 0.303 0.000 1.865 2236 A HA -0.166 4.155 4.320 0.001 0.000 0.217 2236 A C 2.277 180.059 177.584 0.330 0.000 1.191 2236 A CA 1.560 53.800 52.037 0.338 0.000 0.623 2236 A CB -0.720 18.420 19.000 0.233 0.000 0.826 2236 A HN 0.373 nan 8.150 nan 0.000 0.444 2237 L N -1.664 119.710 121.223 0.252 0.000 2.012 2237 L HA -0.242 4.098 4.340 0.001 0.000 0.210 2237 L C 2.689 179.759 176.870 0.333 0.000 1.073 2237 L CA 1.956 56.968 54.840 0.286 0.000 0.748 2237 L CB -0.814 41.284 42.059 0.064 0.000 0.891 2237 L HN 0.652 nan 8.230 nan 0.000 0.431 2238 H N -0.555 118.585 119.070 0.117 0.000 2.290 2238 H HA -0.229 4.328 4.556 0.001 0.000 0.298 2238 H C 2.025 177.300 175.328 -0.088 0.000 1.087 2238 H CA 2.083 58.108 56.048 -0.039 0.000 1.291 2238 H CB -0.275 29.360 29.762 -0.210 0.000 1.369 2238 H HN 0.275 nan 8.280 nan 0.000 0.492 2239 Y N -0.562 119.804 120.300 0.109 0.000 2.457 2239 Y HA 0.045 4.596 4.550 0.001 0.000 0.292 2239 Y C 2.707 178.628 175.900 0.034 0.000 1.125 2239 Y CA 0.546 58.665 58.100 0.032 0.000 1.254 2239 Y CB -0.171 38.364 38.460 0.126 0.000 1.012 2239 Y HN 0.367 nan 8.280 nan 0.000 0.555 2240 G N 0.329 109.255 108.800 0.210 0.000 2.446 2240 G HA2 -0.315 3.645 3.960 0.001 0.000 0.217 2240 G HA3 -0.315 3.645 3.960 0.001 0.000 0.217 2240 G C 1.691 176.465 174.900 -0.209 0.000 1.168 2240 G CA 1.046 46.133 45.100 -0.020 0.000 0.771 2240 G HN 0.308 nan 8.290 nan 0.000 0.551 2241 R N 0.131 120.581 120.500 -0.084 0.000 2.073 2241 R HA -0.077 4.263 4.340 0.001 0.000 0.234 2241 R C 2.479 178.714 176.300 -0.108 0.000 1.134 2241 R CA 1.568 57.615 56.100 -0.087 0.000 0.952 2241 R CB -0.227 30.088 30.300 0.025 0.000 0.850 2241 R HN 0.198 nan 8.270 nan 0.000 0.433 2242 E N 0.521 120.617 120.200 -0.172 0.000 2.070 2242 E HA -0.270 4.081 4.350 0.001 0.000 0.197 2242 E C 2.064 178.670 176.600 0.010 0.000 1.004 2242 E CA 1.432 57.766 56.400 -0.110 0.000 0.805 2242 E CB -0.919 28.712 29.700 -0.114 0.000 0.744 2242 E HN 0.438 nan 8.360 nan 0.000 0.451 2243 C N 0.815 120.138 119.300 0.038 0.000 2.436 2243 C HA -0.081 4.380 4.460 0.001 0.000 0.277 2243 C C 2.910 177.930 174.990 0.049 0.000 1.241 2243 C CA 1.524 60.578 59.018 0.061 0.000 1.721 2243 C CB -1.132 26.644 27.740 0.060 0.000 2.043 2243 C HN 0.501 nan 8.230 nan 0.000 0.472 2244 A N 0.847 123.649 122.820 -0.030 0.000 1.917 2244 A HA -0.225 4.096 4.320 0.001 0.000 0.219 2244 A C 1.976 179.597 177.584 0.062 0.000 1.182 2244 A CA 2.409 54.438 52.037 -0.013 0.000 0.633 2244 A CB -0.803 18.129 19.000 -0.114 0.000 0.819 2244 A HN 0.762 nan 8.150 nan 0.000 0.448 2245 N N -0.101 118.617 118.700 0.031 0.000 2.142 2245 N HA -0.091 4.649 4.740 0.001 0.000 0.186 2245 N C 1.909 177.461 175.510 0.070 0.000 1.023 2245 N CA 1.432 54.507 53.050 0.042 0.000 0.852 2245 N CB -0.930 37.567 38.487 0.017 0.000 0.998 2245 N HN 0.465 nan 8.380 nan 0.000 0.424 2246 G N -0.272 108.578 108.800 0.083 0.000 2.469 2246 G HA2 -0.301 3.660 3.960 0.001 0.000 0.219 2246 G HA3 -0.301 3.660 3.960 0.001 0.000 0.219 2246 G C 1.542 176.507 174.900 0.108 0.000 1.150 2246 G CA 0.690 45.851 45.100 0.103 0.000 0.763 2246 G HN 0.360 nan 8.290 nan 0.000 0.561 2247 Y N 0.681 120.994 120.300 0.022 0.000 2.200 2247 Y HA 0.098 4.649 4.550 0.001 0.000 0.290 2247 Y C 2.660 178.562 175.900 0.003 0.000 1.137 2247 Y CA 1.068 59.177 58.100 0.015 0.000 1.163 2247 Y CB -0.087 38.375 38.460 0.004 0.000 0.988 2247 Y HN 0.102 nan 8.280 nan 0.000 0.518 2248 L N -0.212 121.087 121.223 0.126 0.000 2.083 2248 L HA -0.224 4.117 4.340 0.001 0.000 0.209 2248 L C 2.164 179.013 176.870 -0.035 0.000 1.083 2248 L CA 1.665 56.537 54.840 0.053 0.000 0.752 2248 L CB -0.404 41.694 42.059 0.065 0.000 0.899 2248 L HN 0.271 nan 8.230 nan 0.000 0.433 2249 E N -0.226 119.958 120.200 -0.028 0.000 2.106 2249 E HA -0.248 4.103 4.350 0.001 0.000 0.192 2249 E C 2.025 178.467 176.600 -0.263 0.000 0.984 2249 E CA 0.977 57.338 56.400 -0.065 0.000 0.806 2249 E CB -0.109 29.622 29.700 0.053 0.000 0.750 2249 E HN 0.278 nan 8.360 nan 0.000 0.458 2250 L N 1.013 122.080 121.223 -0.260 0.000 1.994 2250 L HA -0.165 4.176 4.340 0.001 0.000 0.208 2250 L C 1.997 178.681 176.870 -0.311 0.000 1.071 2250 L CA 1.635 56.260 54.840 -0.358 0.000 0.745 2250 L CB -0.405 41.456 42.059 -0.330 0.000 0.892 2250 L HN 0.103 nan 8.230 nan 0.000 0.431 2251 L N -0.421 120.617 121.223 -0.308 0.000 2.079 2251 L HA -0.228 4.112 4.340 0.001 0.000 0.210 2251 L C 2.281 179.073 176.870 -0.131 0.000 1.081 2251 L CA 1.404 56.129 54.840 -0.192 0.000 0.752 2251 L CB -1.017 40.972 42.059 -0.116 0.000 0.896 2251 L HN 0.333 nan 8.230 nan 0.000 0.433 2252 D N -1.093 119.234 120.400 -0.122 0.000 2.144 2252 D HA -0.199 4.442 4.640 0.001 0.000 0.200 2252 D C 2.038 178.275 176.300 -0.106 0.000 0.978 2252 D CA 1.210 55.157 54.000 -0.088 0.000 0.833 2252 D CB -0.081 40.684 40.800 -0.058 0.000 0.961 2252 D HN 0.375 nan 8.370 nan 0.000 0.470 2253 H N 0.254 119.164 119.070 -0.268 0.000 2.389 2253 H HA -0.024 4.533 4.556 0.001 0.000 0.299 2253 H C 1.983 177.221 175.328 -0.150 0.000 1.081 2253 H CA 0.966 56.865 56.048 -0.248 0.000 1.345 2253 H CB -0.110 29.374 29.762 -0.464 0.000 1.393 2253 H HN -0.119 nan 8.280 nan 0.000 0.520 2254 V N 0.474 120.276 119.914 -0.188 0.000 2.332 2254 V HA -0.269 3.852 4.120 0.001 0.000 0.248 2254 V C 2.595 178.586 176.094 -0.171 0.000 1.055 2254 V CA 1.880 64.080 62.300 -0.167 0.000 1.038 2254 V CB -0.629 31.131 31.823 -0.106 0.000 0.651 2254 V HN 0.399 nan 8.190 nan 0.000 0.450 2255 L N -0.928 120.211 121.223 -0.139 0.000 2.046 2255 L HA -0.196 4.145 4.340 0.001 0.000 0.208 2255 L C 2.405 179.200 176.870 -0.126 0.000 1.077 2255 L CA 1.441 56.218 54.840 -0.105 0.000 0.747 2255 L CB -0.534 41.481 42.059 -0.072 0.000 0.896 2255 L HN 0.298 nan 8.230 nan 0.000 0.432 2256 L N -0.883 120.233 121.223 -0.179 0.000 2.017 2256 L HA -0.222 4.119 4.340 0.001 0.000 0.208 2256 L C 2.640 179.376 176.870 -0.223 0.000 1.073 2256 L CA 1.641 56.367 54.840 -0.190 0.000 0.745 2256 L CB -0.856 41.084 42.059 -0.199 0.000 0.894 2256 L HN 0.257 nan 8.230 nan 0.000 0.432 2257 T N 0.239 114.583 114.554 -0.350 0.000 2.746 2257 T HA -0.166 4.184 4.350 0.001 0.000 0.267 2257 T C 1.938 176.564 174.700 -0.124 0.000 1.039 2257 T CA 1.205 63.156 62.100 -0.249 0.000 1.142 2257 T CB -0.285 68.421 68.868 -0.269 0.000 0.866 2257 T HN 0.199 nan 8.240 nan 0.000 0.444 2258 L N 0.653 121.811 121.223 -0.109 0.000 2.187 2258 L HA -0.148 4.193 4.340 0.001 0.000 0.213 2258 L C 2.731 179.577 176.870 -0.040 0.000 1.100 2258 L CA 1.338 56.143 54.840 -0.059 0.000 0.765 2258 L CB -0.535 41.495 42.059 -0.048 0.000 0.904 2258 L HN 0.341 nan 8.230 nan 0.000 0.437 2259 Q N -0.476 119.292 119.800 -0.053 0.000 2.331 2259 Q HA -0.035 4.306 4.340 0.001 0.000 0.203 2259 Q C 0.803 176.786 176.000 -0.030 0.000 0.944 2259 Q CA 0.674 56.456 55.803 -0.035 0.000 0.892 2259 Q CB 0.413 29.127 28.738 -0.041 0.000 0.983 2259 Q HN 0.190 nan 8.270 nan 0.000 0.482 2260 K N 1.017 121.393 120.400 -0.040 0.000 2.895 2260 K HA 0.184 4.505 4.320 0.001 0.000 0.191 2260 K C -2.638 173.947 176.600 -0.025 0.000 1.117 2260 K CA -1.551 54.720 56.287 -0.026 0.000 0.988 2260 K CB 1.241 33.726 32.500 -0.024 0.000 1.181 2260 K HN -0.170 nan 8.250 nan 0.000 0.598 2261 P HA 0.013 nan 4.420 nan 0.000 0.231 2261 P C -1.215 176.085 177.300 0.001 0.000 1.756 2261 P CA -0.203 62.890 63.100 -0.012 0.000 0.990 2261 P CB -0.581 31.116 31.700 -0.005 0.000 1.973 2262 N N 0.266 118.969 118.700 0.004 0.000 2.476 2262 N HA 0.291 5.032 4.740 0.001 0.000 0.276 2262 N C -1.981 173.542 175.510 0.021 0.000 1.204 2262 N CA -2.428 50.630 53.050 0.013 0.000 0.974 2262 N CB -0.531 37.964 38.487 0.014 0.000 1.204 2262 N HN -0.218 nan 8.380 nan 0.000 0.543 2263 P HA -0.146 nan 4.420 nan 0.000 0.218 2263 P C 0.598 177.920 177.300 0.036 0.000 1.148 2263 P CA 1.121 64.236 63.100 0.025 0.000 0.822 2263 P CB 0.167 31.878 31.700 0.019 0.000 0.784 2264 D N -0.739 119.684 120.400 0.038 0.000 2.081 2264 D HA -0.141 4.500 4.640 0.001 0.000 0.194 2264 D C 1.885 178.237 176.300 0.088 0.000 0.986 2264 D CA 1.267 55.297 54.000 0.049 0.000 0.837 2264 D CB -0.371 40.454 40.800 0.041 0.000 0.985 2264 D HN -0.088 nan 8.370 nan 0.000 0.448 2265 L N 1.352 122.639 121.223 0.106 0.000 2.051 2265 L HA -0.203 4.138 4.340 0.001 0.000 0.214 2265 L C 2.492 179.512 176.870 0.250 0.000 1.076 2265 L CA 1.634 56.594 54.840 0.199 0.000 0.758 2265 L CB -0.453 41.639 42.059 0.056 0.000 0.890 2265 L HN 0.022 nan 8.230 nan 0.000 0.433 2266 K N -1.072 119.398 120.400 0.117 0.000 2.025 2266 K HA -0.242 4.078 4.320 0.001 0.000 0.207 2266 K C 2.085 178.746 176.600 0.102 0.000 1.049 2266 K CA 1.392 57.737 56.287 0.098 0.000 0.933 2266 K CB -0.217 32.311 32.500 0.048 0.000 0.714 2266 K HN 0.286 nan 8.250 nan 0.000 0.438 2267 Q N 1.807 121.652 119.800 0.075 0.000 2.152 2267 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 2267 Q C 1.732 177.756 176.000 0.041 0.000 0.985 2267 Q CA 1.851 57.683 55.803 0.048 0.000 0.863 2267 Q CB -0.176 28.580 28.738 0.030 0.000 0.904 2267 Q HN 0.319 nan 8.270 nan 0.000 0.422 2268 Q N -0.212 119.623 119.800 0.058 0.000 2.364 2268 Q HA -0.072 4.268 4.340 0.001 0.000 0.209 2268 Q C 2.014 177.997 176.000 -0.028 0.000 0.977 2268 Q CA 1.064 56.837 55.803 -0.049 0.000 0.885 2268 Q CB -0.103 28.539 28.738 -0.160 0.000 0.941 2268 Q HN 0.454 nan 8.270 nan 0.000 0.464 2269 L N -0.098 121.197 121.223 0.119 0.000 2.079 2269 L HA -0.210 4.130 4.340 0.001 0.000 0.210 2269 L C 2.281 179.200 176.870 0.082 0.000 1.081 2269 L CA 1.275 56.212 54.840 0.161 0.000 0.752 2269 L CB -0.663 41.483 42.059 0.145 0.000 0.896 2269 L HN 0.256 nan 8.230 nan 0.000 0.433 2270 T N -0.488 114.087 114.554 0.035 0.000 2.720 2270 T HA -0.173 4.178 4.350 0.001 0.000 0.268 2270 T C 1.855 176.541 174.700 -0.023 0.000 1.037 2270 T CA 1.429 63.534 62.100 0.008 0.000 1.144 2270 T CB -0.699 68.168 68.868 -0.002 0.000 0.864 2270 T HN 0.573 nan 8.240 nan 0.000 0.444 2271 G N 0.532 109.284 108.800 -0.080 0.000 2.418 2271 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 2271 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 2271 G C 1.227 176.013 174.900 -0.190 0.000 1.158 2271 G CA 0.842 45.846 45.100 -0.161 0.000 0.771 2271 G HN 0.565 nan 8.290 nan 0.000 0.545 2272 H N -0.142 118.876 119.070 -0.088 0.000 2.353 2272 H HA -0.030 4.527 4.556 0.002 0.000 0.300 2272 H C 2.920 178.220 175.328 -0.047 0.000 1.090 2272 H CA 1.519 57.521 56.048 -0.077 0.000 1.327 2272 H CB 0.078 29.780 29.762 -0.100 0.000 1.383 2272 H HN 0.431 nan 8.280 nan 0.000 0.508 2273 S N 0.386 116.130 115.700 0.074 0.000 2.368 2273 S HA -0.172 4.299 4.470 0.001 0.000 0.225 2273 S C 1.907 176.528 174.600 0.035 0.000 1.030 2273 S CA 1.311 59.540 58.200 0.047 0.000 0.999 2273 S CB -0.020 63.202 63.200 0.037 0.000 0.844 2273 S HN 0.338 nan 8.310 nan 0.000 0.459 2274 K N 0.404 120.809 120.400 0.010 0.000 2.057 2274 K HA -0.033 4.288 4.320 0.001 0.000 0.207 2274 K C 2.568 179.173 176.600 0.008 0.000 1.049 2274 K CA 1.261 57.548 56.287 0.001 0.000 0.931 2274 K CB -0.203 32.285 32.500 -0.019 0.000 0.714 2274 K HN 0.339 nan 8.250 nan 0.000 0.440 2275 R N 0.529 121.031 120.500 0.003 0.000 2.081 2275 R HA -0.101 4.240 4.340 0.001 0.000 0.235 2275 R C 2.339 178.673 176.300 0.056 0.000 1.131 2275 R CA 1.184 57.296 56.100 0.020 0.000 0.960 2275 R CB -0.421 29.881 30.300 0.004 0.000 0.856 2275 R HN 0.008 nan 8.270 nan 0.000 0.436 2276 V N 1.058 121.017 119.914 0.075 0.000 2.295 2276 V HA -0.268 3.853 4.120 0.001 0.000 0.246 2276 V C 2.487 178.629 176.094 0.081 0.000 1.049 2276 V CA 2.006 64.370 62.300 0.106 0.000 1.024 2276 V CB -0.814 31.104 31.823 0.158 0.000 0.648 2276 V HN 0.416 nan 8.190 nan 0.000 0.447 2277 A N 0.623 123.478 122.820 0.058 0.000 1.917 2277 A HA -0.172 4.149 4.320 0.001 0.000 0.219 2277 A C 2.445 180.038 177.584 0.015 0.000 1.182 2277 A CA 2.167 54.224 52.037 0.033 0.000 0.633 2277 A CB -1.374 17.639 19.000 0.022 0.000 0.819 2277 A HN 0.557 nan 8.150 nan 0.000 0.448 2278 G N -0.739 108.071 108.800 0.017 0.000 2.469 2278 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 2278 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 2278 G C 1.820 176.719 174.900 -0.002 0.000 1.150 2278 G CA 1.429 46.531 45.100 0.004 0.000 0.763 2278 G HN 0.519 nan 8.290 nan 0.000 0.561 2279 S N -0.079 115.649 115.700 0.047 0.000 2.383 2279 S HA -0.081 4.390 4.470 0.001 0.000 0.227 2279 S C 2.491 177.106 174.600 0.025 0.000 1.026 2279 S CA 0.992 59.236 58.200 0.075 0.000 0.981 2279 S CB -0.233 63.055 63.200 0.147 0.000 0.818 2279 S HN 0.189 nan 8.310 nan 0.000 0.472 2280 V N 2.157 122.082 119.914 0.019 0.000 2.282 2280 V HA -0.238 3.883 4.120 0.001 0.000 0.249 2280 V C 2.544 178.604 176.094 -0.057 0.000 1.057 2280 V CA 2.241 64.535 62.300 -0.010 0.000 1.032 2280 V CB -1.467 30.355 31.823 -0.002 0.000 0.645 2280 V HN 0.528 nan 8.190 nan 0.000 0.447 2281 T N -0.635 113.882 114.554 -0.062 0.000 2.684 2281 T HA -0.214 4.137 4.350 0.001 0.000 0.267 2281 T C 1.885 176.506 174.700 -0.131 0.000 1.036 2281 T CA 1.587 63.635 62.100 -0.088 0.000 1.148 2281 T CB -0.305 68.519 68.868 -0.073 0.000 0.863 2281 T HN 0.450 nan 8.240 nan 0.000 0.436 2282 E N 1.007 121.090 120.200 -0.194 0.000 2.085 2282 E HA -0.050 4.300 4.350 0.001 0.000 0.194 2282 E C 2.343 178.840 176.600 -0.172 0.000 0.994 2282 E CA 0.817 57.014 56.400 -0.337 0.000 0.801 2282 E CB -0.530 28.656 29.700 -0.856 0.000 0.743 2282 E HN 0.462 nan 8.360 nan 0.000 0.453 2283 L N 0.310 121.493 121.223 -0.068 0.000 2.046 2283 L HA -0.161 4.180 4.340 0.001 0.000 0.208 2283 L C 2.559 179.315 176.870 -0.190 0.000 1.077 2283 L CA 0.860 55.712 54.840 0.021 0.000 0.747 2283 L CB -0.316 41.785 42.059 0.070 0.000 0.896 2283 L HN 0.102 nan 8.230 nan 0.000 0.432 2284 I N -0.749 119.695 120.570 -0.210 0.000 2.252 2284 I HA -0.305 3.866 4.170 0.001 0.000 0.245 2284 I C 2.556 178.575 176.117 -0.162 0.000 1.102 2284 I CA 1.265 62.418 61.300 -0.245 0.000 1.385 2284 I CB -0.200 37.695 38.000 -0.176 0.000 1.064 2284 I HN 0.329 nan 8.210 nan 0.000 0.414 2285 Q N 0.413 120.148 119.800 -0.109 0.000 2.167 2285 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 2285 Q C 2.432 178.419 176.000 -0.021 0.000 0.970 2285 Q CA 1.514 57.278 55.803 -0.066 0.000 0.855 2285 Q CB -0.225 28.471 28.738 -0.070 0.000 0.911 2285 Q HN 0.574 nan 8.270 nan 0.000 0.438 2286 A N 1.141 123.969 122.820 0.013 0.000 1.902 2286 A HA -0.119 4.202 4.320 0.001 0.000 0.217 2286 A C 2.299 179.974 177.584 0.153 0.000 1.181 2286 A CA 1.515 53.626 52.037 0.123 0.000 0.623 2286 A CB -0.773 18.375 19.000 0.247 0.000 0.818 2286 A HN 0.392 nan 8.150 nan 0.000 0.443 2287 A N -0.168 122.690 122.820 0.063 0.000 1.883 2287 A HA -0.180 4.140 4.320 0.001 0.000 0.217 2287 A C 1.923 179.521 177.584 0.025 0.000 1.186 2287 A CA 1.747 53.805 52.037 0.034 0.000 0.624 2287 A CB -0.523 18.254 19.000 -0.373 0.000 0.822 2287 A HN 0.471 nan 8.150 nan 0.000 0.444 2288 E N 0.462 120.646 120.200 -0.027 0.000 2.097 2288 E HA -0.099 4.252 4.350 0.001 0.000 0.196 2288 E C 1.480 178.088 176.600 0.013 0.000 1.000 2288 E CA 0.921 57.312 56.400 -0.015 0.000 0.804 2288 E CB -0.870 28.811 29.700 -0.031 0.000 0.740 2288 E HN 0.615 nan 8.360 nan 0.000 0.454 2291 K N 0.000 120.417 120.400 0.028 0.000 2.780 2291 K HA 0.000 4.321 4.320 0.001 0.000 0.191 2291 K CA 0.000 56.294 56.287 0.012 0.000 0.838 2291 K CB 0.000 32.502 32.500 0.003 0.000 1.064 2291 K HN 0.000 nan 8.250 nan 0.000 0.543