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 2rj3_1_C DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MXQTESHAVK IVVEAARRLL 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 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.587 174.600 -0.022 0.000 1.055 2004 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 2004 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 2005 D N 1.527 121.924 120.400 -0.004 0.000 2.162 2005 D HA 0.062 4.702 4.640 -0.000 0.000 0.203 2005 D C 1.248 177.563 176.300 0.025 0.000 0.967 2005 D CA 1.787 55.794 54.000 0.010 0.000 0.840 2005 D CB 0.055 40.865 40.800 0.016 0.000 0.972 2005 D HN 0.566 nan 8.370 nan 0.000 0.482 2006 V N -2.344 117.585 119.914 0.024 0.000 2.994 2006 V HA 0.361 4.481 4.120 -0.000 0.000 0.318 2006 V C 0.877 176.999 176.094 0.047 0.000 1.085 2006 V CA -0.956 61.379 62.300 0.058 0.000 0.998 2006 V CB 1.567 33.426 31.823 0.061 0.000 1.063 2006 V HN -0.071 nan 8.190 nan 0.000 0.447 2007 F N 0.497 120.410 119.950 -0.061 0.000 2.234 2007 F HA 0.108 4.635 4.527 -0.000 0.000 0.296 2007 F C 1.948 177.578 175.800 -0.282 0.000 1.089 2007 F CA 2.138 60.033 58.000 -0.174 0.000 1.343 2007 F CB 0.123 39.000 39.000 -0.205 0.000 1.040 2007 F HN 0.809 nan 8.300 nan 0.000 0.498 2008 H N -1.826 117.292 119.070 0.081 0.000 2.430 2008 H HA 0.158 4.714 4.556 -0.000 0.000 0.297 2008 H C 1.697 177.018 175.328 -0.012 0.000 1.016 2008 H CA 0.730 56.791 56.048 0.022 0.000 1.294 2008 H CB -0.174 29.599 29.762 0.018 0.000 1.465 2008 H HN 0.031 nan 8.280 nan 0.000 0.547 2009 L N 0.161 121.437 121.223 0.088 0.000 2.362 2009 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 2009 L C 1.214 178.213 176.870 0.216 0.000 1.134 2009 L CA 1.435 56.354 54.840 0.131 0.000 0.807 2009 L CB -0.743 41.342 42.059 0.042 0.000 0.927 2009 L HN 0.567 nan 8.230 nan 0.000 0.447 2010 G N -0.032 108.806 108.800 0.063 0.000 2.295 2010 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 2010 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 2010 G C -0.066 174.890 174.900 0.094 0.000 1.055 2010 G CA 0.405 45.525 45.100 0.034 0.000 0.922 2010 G HN 0.278 nan 8.290 nan 0.000 0.503 2011 L N -0.399 120.856 121.223 0.052 0.000 2.333 2011 L HA 0.875 5.214 4.340 -0.000 0.000 0.263 2011 L C 0.726 177.609 176.870 0.021 0.000 1.014 2011 L CA -0.577 54.288 54.840 0.042 0.000 0.820 2011 L CB 2.462 44.551 42.059 0.050 0.000 1.352 2011 L HN 0.391 nan 8.230 nan 0.000 0.421 2012 T N -3.093 111.469 114.554 0.015 0.000 2.940 2012 T HA 0.346 4.695 4.350 -0.000 0.000 0.288 2012 T C 0.589 175.295 174.700 0.010 0.000 1.045 2012 T CA -0.732 61.374 62.100 0.009 0.000 1.018 2012 T CB 2.134 71.003 68.868 0.002 0.000 1.151 2012 T HN 0.527 nan 8.240 nan 0.000 0.529 2013 K N 0.894 121.299 120.400 0.009 0.000 2.032 2013 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 2013 K C 2.139 178.740 176.600 0.003 0.000 1.048 2013 K CA 2.113 58.405 56.287 0.007 0.000 0.927 2013 K CB -0.741 31.764 32.500 0.007 0.000 0.712 2013 K HN 0.690 nan 8.250 nan 0.000 0.441 2014 N N 0.465 119.166 118.700 0.000 0.000 2.094 2014 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 2014 N C 1.065 176.571 175.510 -0.006 0.000 1.023 2014 N CA 1.880 54.928 53.050 -0.004 0.000 0.857 2014 N CB -0.211 38.272 38.487 -0.005 0.000 1.013 2014 N HN 0.234 nan 8.380 nan 0.000 0.426 2015 D N -0.471 119.925 120.400 -0.005 0.000 2.221 2015 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 2015 D C 1.529 177.825 176.300 -0.007 0.000 0.982 2015 D CA 0.648 54.642 54.000 -0.009 0.000 0.857 2015 D CB -0.095 40.703 40.800 -0.005 0.000 0.934 2015 D HN 0.309 nan 8.370 nan 0.000 0.475 2016 L N 0.191 121.412 121.223 -0.002 0.000 2.341 2016 L HA 0.030 4.369 4.340 -0.000 0.000 0.214 2016 L C 0.821 177.688 176.870 -0.006 0.000 1.115 2016 L CA 0.490 55.329 54.840 -0.002 0.000 0.820 2016 L CB -0.104 41.953 42.059 -0.004 0.000 0.944 2016 L HN -0.082 nan 8.230 nan 0.000 0.452 2017 Q N -0.217 119.579 119.800 -0.006 0.000 2.481 2017 Q HA -0.250 4.090 4.340 -0.000 0.000 0.272 2017 Q C 1.106 177.102 176.000 -0.007 0.000 1.157 2017 Q CA 0.904 56.704 55.803 -0.006 0.000 0.935 2017 Q CB -2.371 26.364 28.738 -0.006 0.000 1.338 2017 Q HN 0.660 nan 8.270 nan 0.000 0.494 2018 G N -1.606 107.189 108.800 -0.008 0.000 2.137 2018 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.237 2018 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.237 2018 G C 0.282 175.172 174.900 -0.017 0.000 1.002 2018 G CA 0.471 45.565 45.100 -0.010 0.000 0.702 2018 G HN 1.158 nan 8.290 nan 0.000 0.515 2019 A N -0.422 122.386 122.820 -0.021 0.000 2.477 2019 A HA 0.632 4.952 4.320 -0.000 0.000 0.246 2019 A C 1.092 178.644 177.584 -0.054 0.000 1.078 2019 A CA 0.971 52.988 52.037 -0.034 0.000 0.770 2019 A CB 0.299 19.280 19.000 -0.031 0.000 1.011 2019 A HN 0.562 nan 8.150 nan 0.000 0.494 2020 Q N 1.306 121.065 119.800 -0.069 0.000 2.185 2020 Q HA 0.289 4.629 4.340 -0.000 0.000 0.234 2020 Q C -0.372 175.535 176.000 -0.155 0.000 0.819 2020 Q CA -0.007 55.741 55.803 -0.091 0.000 0.961 2020 Q CB 0.688 29.392 28.738 -0.057 0.000 1.140 2020 Q HN 0.715 nan 8.270 nan 0.000 0.492 2021 L N 0.820 121.953 121.223 -0.150 0.000 2.346 2021 L HA 0.791 5.131 4.340 -0.000 0.000 0.274 2021 L C -1.624 175.121 176.870 -0.210 0.000 1.007 2021 L CA -0.668 54.056 54.840 -0.194 0.000 0.818 2021 L CB 1.728 43.721 42.059 -0.111 0.000 1.284 2021 L HN -0.061 nan 8.230 nan 0.000 0.424 2022 A N 5.625 128.265 122.820 -0.300 0.000 2.374 2022 A HA 0.690 5.010 4.320 -0.000 0.000 0.305 2022 A C -1.015 176.529 177.584 -0.067 0.000 1.053 2022 A CA -0.536 51.389 52.037 -0.185 0.000 0.726 2022 A CB 1.056 19.912 19.000 -0.240 0.000 1.229 2022 A HN 0.656 nan 8.150 nan 0.000 0.431 2023 I N 2.585 123.154 120.570 -0.001 0.000 2.342 2023 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 2023 I C -0.266 175.895 176.117 0.074 0.000 1.010 2023 I CA -0.649 60.672 61.300 0.035 0.000 1.308 2023 I CB 1.710 39.721 38.000 0.018 0.000 1.400 2023 I HN 0.441 nan 8.210 nan 0.000 0.488 2024 V N 5.459 125.433 119.914 0.100 0.000 2.320 2024 V HA 0.465 4.585 4.120 -0.000 0.000 0.268 2024 V C -2.494 173.651 176.094 0.084 0.000 1.021 2024 V CA -1.812 60.562 62.300 0.123 0.000 0.813 2024 V CB 0.323 32.262 31.823 0.192 0.000 1.054 2024 V HN 0.471 nan 8.190 nan 0.000 0.444 2025 P HA 0.322 nan 4.420 nan 0.000 0.277 2025 P C 0.936 178.260 177.300 0.040 0.000 1.271 2025 P CA 0.317 63.440 63.100 0.037 0.000 0.795 2025 P CB 1.737 33.446 31.700 0.014 0.000 1.101 2026 G N -0.539 108.273 108.800 0.020 0.000 2.417 2026 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.212 2026 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.212 2026 G C 0.320 175.214 174.900 -0.010 0.000 1.187 2026 G CA 0.408 45.513 45.100 0.009 0.000 0.804 2026 G HN 0.496 nan 8.290 nan 0.000 0.534 2027 D N 0.863 121.252 120.400 -0.017 0.000 2.343 2027 D HA 0.215 4.855 4.640 -0.000 0.000 0.255 2027 D C -1.372 174.914 176.300 -0.024 0.000 1.187 2027 D CA -1.947 52.035 54.000 -0.030 0.000 0.875 2027 D CB 1.924 42.703 40.800 -0.035 0.000 1.136 2027 D HN -0.039 nan 8.370 nan 0.000 0.469 2028 P HA -0.100 nan 4.420 nan 0.000 0.219 2028 P C 0.878 178.168 177.300 -0.017 0.000 1.146 2028 P CA 0.778 63.875 63.100 -0.005 0.000 0.808 2028 P CB 0.358 32.052 31.700 -0.010 0.000 0.779 2029 E N -0.682 119.498 120.200 -0.033 0.000 2.338 2029 E HA -0.105 4.244 4.350 -0.000 0.000 0.197 2029 E C 1.652 178.204 176.600 -0.082 0.000 1.007 2029 E CA 0.723 57.094 56.400 -0.049 0.000 0.849 2029 E CB -0.100 29.574 29.700 -0.043 0.000 0.774 2029 E HN 0.256 nan 8.360 nan 0.000 0.506 2030 R N 0.109 120.562 120.500 -0.077 0.000 2.280 2030 R HA 0.076 4.416 4.340 -0.000 0.000 0.195 2030 R C 2.273 178.489 176.300 -0.139 0.000 0.935 2030 R CA 0.113 56.156 56.100 -0.095 0.000 1.033 2030 R CB -0.478 29.785 30.300 -0.061 0.000 0.964 2030 R HN 0.037 nan 8.270 nan 0.000 0.489 2031 V N 1.364 121.192 119.914 -0.145 0.000 2.287 2031 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 2031 V C 2.427 178.257 176.094 -0.441 0.000 1.053 2031 V CA 2.175 64.364 62.300 -0.185 0.000 1.027 2031 V CB -0.417 31.366 31.823 -0.066 0.000 0.646 2031 V HN 0.357 nan 8.190 nan 0.000 0.447 2032 E N 0.253 120.032 120.200 -0.701 0.000 2.051 2032 E HA -0.258 4.091 4.350 -0.000 0.000 0.192 2032 E C 2.265 178.511 176.600 -0.590 0.000 0.991 2032 E CA 1.427 57.165 56.400 -1.102 0.000 0.799 2032 E CB -0.071 29.024 29.700 -1.009 0.000 0.748 2032 E HN 0.591 nan 8.360 nan 0.000 0.449 2033 K N 0.212 120.400 120.400 -0.353 0.000 2.074 2033 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 2033 K C 2.173 178.669 176.600 -0.173 0.000 1.048 2033 K CA 1.778 57.935 56.287 -0.216 0.000 0.926 2033 K CB -0.222 32.188 32.500 -0.150 0.000 0.713 2033 K HN 0.237 nan 8.250 nan 0.000 0.444 2034 I N 0.830 121.300 120.570 -0.165 0.000 2.179 2034 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 2034 I C 2.447 178.505 176.117 -0.098 0.000 1.088 2034 I CA 1.242 62.478 61.300 -0.106 0.000 1.357 2034 I CB -0.360 37.594 38.000 -0.077 0.000 1.051 2034 I HN 0.150 nan 8.210 nan 0.000 0.409 2035 A N 0.554 123.285 122.820 -0.148 0.000 2.067 2035 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 2035 A C 2.472 180.021 177.584 -0.058 0.000 1.158 2035 A CA 1.389 53.383 52.037 -0.072 0.000 0.661 2035 A CB -0.646 18.337 19.000 -0.029 0.000 0.801 2035 A HN 0.423 nan 8.150 nan 0.000 0.452 2036 A N -0.169 122.574 122.820 -0.129 0.000 2.015 2036 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 2036 A C 1.950 179.511 177.584 -0.038 0.000 1.163 2036 A CA 1.162 53.150 52.037 -0.082 0.000 0.646 2036 A CB -0.479 18.450 19.000 -0.118 0.000 0.806 2036 A HN 0.480 nan 8.150 nan 0.000 0.448 2037 L N -1.268 119.930 121.223 -0.040 0.000 2.376 2037 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 2037 L C 1.081 177.947 176.870 -0.007 0.000 1.133 2037 L CA 0.265 55.092 54.840 -0.022 0.000 0.816 2037 L CB -0.390 41.655 42.059 -0.023 0.000 0.933 2037 L HN 0.434 nan 8.230 nan 0.000 0.449 2038 M N -1.403 118.198 119.600 0.001 0.000 2.753 2038 M HA 0.280 4.760 4.480 -0.000 0.000 0.299 2038 M C -0.616 175.700 176.300 0.026 0.000 1.219 2038 M CA -0.879 54.429 55.300 0.014 0.000 0.900 2038 M CB 1.263 33.874 32.600 0.019 0.000 1.628 2038 M HN -0.189 nan 8.290 nan 0.000 0.502 2039 D N 1.132 121.547 120.400 0.026 0.000 2.304 2039 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 2039 D C -0.421 175.905 176.300 0.044 0.000 1.089 2039 D CA 0.092 54.110 54.000 0.030 0.000 0.910 2039 D CB 0.736 41.547 40.800 0.020 0.000 1.199 2039 D HN 0.366 nan 8.370 nan 0.000 0.426 2040 K N -0.237 120.192 120.400 0.047 0.000 3.257 2040 K HA -0.117 4.202 4.320 -0.000 0.000 0.270 2040 K C -2.451 174.202 176.600 0.089 0.000 0.984 2040 K CA 0.257 56.577 56.287 0.054 0.000 0.739 2040 K CB -1.410 31.110 32.500 0.033 0.000 1.351 2040 K HN 0.370 nan 8.250 nan 0.000 0.463 2041 P HA 0.135 nan 4.420 nan 0.000 0.276 2041 P C -0.544 176.919 177.300 0.271 0.000 1.253 2041 P CA -0.140 63.127 63.100 0.278 0.000 0.766 2041 P CB 1.152 33.041 31.700 0.314 0.000 0.845 2042 V N 4.028 124.020 119.914 0.129 0.000 2.686 2042 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 2042 V C 0.467 176.135 176.094 -0.711 0.000 1.065 2042 V CA -1.021 61.133 62.300 -0.243 0.000 0.894 2042 V CB 2.075 33.809 31.823 -0.147 0.000 1.004 2042 V HN 0.455 nan 8.190 nan 0.000 0.424 2043 K N 2.851 122.374 120.400 -1.460 0.000 2.382 2043 K HA 0.378 4.698 4.320 -0.000 0.000 0.275 2043 K C 0.108 176.307 176.600 -0.669 0.000 1.009 2043 K CA -0.042 55.272 56.287 -1.622 0.000 0.970 2043 K CB 0.717 32.386 32.500 -1.384 0.000 0.934 2043 K HN 0.654 nan 8.250 nan 0.000 0.479 2044 L N 2.096 123.046 121.223 -0.455 0.000 2.453 2044 L HA 0.381 4.721 4.340 -0.000 0.000 0.190 2044 L C 0.358 177.140 176.870 -0.147 0.000 1.093 2044 L CA 0.146 54.861 54.840 -0.208 0.000 0.834 2044 L CB 0.393 42.395 42.059 -0.095 0.000 1.090 2044 L HN 0.775 nan 8.230 nan 0.000 0.489 2045 A N -1.111 121.638 122.820 -0.119 0.000 2.599 2045 A HA 0.646 4.966 4.320 -0.000 0.000 0.290 2045 A C -1.199 176.297 177.584 -0.146 0.000 1.101 2045 A CA -0.252 51.712 52.037 -0.122 0.000 0.674 2045 A CB 1.770 20.776 19.000 0.010 0.000 1.277 2045 A HN -0.108 nan 8.150 nan 0.000 0.419 2046 S N 0.617 116.091 115.700 -0.377 0.000 2.609 2046 S HA 0.573 5.043 4.470 -0.000 0.000 0.250 2046 S C -1.766 172.549 174.600 -0.475 0.000 1.112 2046 S CA -0.494 57.552 58.200 -0.257 0.000 1.102 2046 S CB 0.089 63.213 63.200 -0.126 0.000 1.124 2046 S HN 0.719 nan 8.310 nan 0.000 0.460 2047 H N 3.676 122.825 119.070 0.132 0.000 2.667 2047 H HA 0.559 5.115 4.556 -0.000 0.000 0.353 2047 H C 0.781 176.207 175.328 0.162 0.000 1.072 2047 H CA -0.523 55.608 56.048 0.138 0.000 1.214 2047 H CB 1.448 31.302 29.762 0.153 0.000 1.600 2047 H HN 0.698 nan 8.280 nan 0.000 0.527 2048 R N 0.720 121.334 120.500 0.190 0.000 3.793 2048 R HA -0.257 4.083 4.340 -0.000 0.000 0.464 2048 R C 1.101 177.338 176.300 -0.104 0.000 0.241 2048 R CA 2.098 58.225 56.100 0.046 0.000 1.464 2048 R CB -0.847 29.496 30.300 0.072 0.000 0.954 2048 R HN 0.809 nan 8.270 nan 0.000 0.583 2049 E N 1.621 121.586 120.200 -0.392 0.000 2.479 2049 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 2049 E C -0.052 176.262 176.600 -0.476 0.000 1.049 2049 E CA 0.422 56.538 56.400 -0.474 0.000 0.870 2049 E CB 0.135 29.494 29.700 -0.567 0.000 0.944 2049 E HN 0.340 nan 8.360 nan 0.000 0.492 2050 F N 2.673 122.672 119.950 0.083 0.000 2.293 2050 F HA 0.251 4.777 4.527 -0.000 0.000 0.370 2050 F C 0.265 176.120 175.800 0.092 0.000 1.090 2050 F CA -0.903 57.153 58.000 0.095 0.000 1.133 2050 F CB 1.314 40.387 39.000 0.122 0.000 1.360 2050 F HN -0.201 nan 8.300 nan 0.000 0.489 2051 T N -0.526 114.157 114.554 0.214 0.000 2.770 2051 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 2051 T C -0.197 174.648 174.700 0.241 0.000 0.988 2051 T CA -0.784 61.426 62.100 0.185 0.000 0.957 2051 T CB 1.230 70.191 68.868 0.156 0.000 0.930 2051 T HN 0.441 nan 8.240 nan 0.000 0.443 2052 S N 2.622 118.452 115.700 0.217 0.000 2.549 2052 S HA 0.801 5.271 4.470 -0.000 0.000 0.297 2052 S C -1.358 173.393 174.600 0.252 0.000 1.115 2052 S CA -0.975 57.359 58.200 0.222 0.000 1.059 2052 S CB 0.814 64.097 63.200 0.140 0.000 1.046 2052 S HN 0.820 nan 8.310 nan 0.000 0.506 2053 W N 0.751 122.064 121.300 0.022 0.000 3.032 2053 W HA 0.611 5.271 4.660 -0.000 0.000 0.335 2053 W C -0.008 176.515 176.519 0.007 0.000 1.154 2053 W CA -0.732 56.619 57.345 0.010 0.000 1.204 2053 W CB 1.964 31.428 29.460 0.007 0.000 1.416 2053 W HN 0.681 nan 8.180 nan 0.000 0.521 2054 R N 1.871 122.476 120.500 0.176 0.000 2.637 2054 R HA 0.903 5.243 4.340 -0.000 0.000 0.291 2054 R C -0.820 175.561 176.300 0.134 0.000 0.963 2054 R CA -0.449 55.718 56.100 0.111 0.000 0.901 2054 R CB 1.563 31.883 30.300 0.033 0.000 1.160 2054 R HN 0.615 nan 8.270 nan 0.000 0.457 2055 A N 2.766 125.645 122.820 0.098 0.000 2.564 2055 A HA 0.495 4.815 4.320 -0.000 0.000 0.288 2055 A C -1.449 176.162 177.584 0.045 0.000 1.164 2055 A CA -0.740 51.347 52.037 0.084 0.000 0.712 2055 A CB 1.777 20.833 19.000 0.092 0.000 1.303 2055 A HN 0.731 nan 8.150 nan 0.000 0.418 2056 E N -0.441 119.780 120.200 0.036 0.000 2.195 2056 E HA 0.551 4.901 4.350 -0.000 0.000 0.271 2056 E C -1.917 174.692 176.600 0.015 0.000 0.923 2056 E CA -0.684 55.728 56.400 0.020 0.000 0.790 2056 E CB 2.145 31.855 29.700 0.016 0.000 1.155 2056 E HN 0.368 nan 8.360 nan 0.000 0.402 2057 L N 3.700 124.927 121.223 0.007 0.000 2.404 2057 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 2057 L C -0.912 175.958 176.870 -0.001 0.000 0.980 2057 L CA -0.069 54.772 54.840 0.002 0.000 0.836 2057 L CB 1.147 43.205 42.059 -0.001 0.000 1.238 2057 L HN 0.550 nan 8.230 nan 0.000 0.408 2058 D N 4.418 124.818 120.400 -0.000 0.000 2.811 2058 D HA -0.224 4.416 4.640 -0.000 0.000 0.231 2058 D C 1.103 177.402 176.300 -0.001 0.000 1.157 2058 D CA 1.498 55.497 54.000 -0.001 0.000 0.716 2058 D CB -0.793 40.005 40.800 -0.004 0.000 1.077 2058 D HN 1.192 nan 8.370 nan 0.000 0.428 2059 G N -1.102 107.699 108.800 0.001 0.000 2.284 2059 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.230 2059 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.230 2059 G C 0.359 175.258 174.900 -0.001 0.000 1.021 2059 G CA 0.518 45.618 45.100 0.000 0.000 0.619 2059 G HN 0.420 nan 8.290 nan 0.000 0.510 2060 K N 1.301 121.700 120.400 -0.003 0.000 2.118 2060 K HA 0.753 5.073 4.320 -0.000 0.000 0.267 2060 K C 0.558 177.156 176.600 -0.004 0.000 0.991 2060 K CA 0.357 56.641 56.287 -0.005 0.000 0.916 2060 K CB 1.613 34.107 32.500 -0.010 0.000 1.041 2060 K HN 0.675 nan 8.250 nan 0.000 0.455 2061 A N 1.870 124.687 122.820 -0.005 0.000 2.388 2061 A HA 0.439 4.759 4.320 -0.000 0.000 0.257 2061 A C -0.604 176.975 177.584 -0.008 0.000 1.095 2061 A CA -0.385 51.651 52.037 -0.003 0.000 0.791 2061 A CB 0.348 19.346 19.000 -0.004 0.000 1.029 2061 A HN 0.409 nan 8.150 nan 0.000 0.489 2062 V N 4.165 124.080 119.914 0.001 0.000 2.686 2062 V HA 0.307 4.427 4.120 -0.000 0.000 0.306 2062 V C -0.591 175.512 176.094 0.016 0.000 1.065 2062 V CA -0.615 61.683 62.300 -0.004 0.000 0.894 2062 V CB 1.737 33.560 31.823 -0.000 0.000 1.004 2062 V HN 0.751 nan 8.190 nan 0.000 0.424 2063 I N 4.699 125.270 120.570 0.001 0.000 2.428 2063 I HA 0.509 4.679 4.170 -0.000 0.000 0.296 2063 I C -0.119 176.027 176.117 0.048 0.000 0.985 2063 I CA -0.441 60.879 61.300 0.032 0.000 1.260 2063 I CB 1.743 39.749 38.000 0.011 0.000 1.389 2063 I HN 0.255 nan 8.210 nan 0.000 0.484 2064 V N 5.187 125.162 119.914 0.102 0.000 2.487 2064 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 2064 V C -0.405 175.777 176.094 0.146 0.000 1.028 2064 V CA -0.485 61.876 62.300 0.101 0.000 0.860 2064 V CB 2.175 34.045 31.823 0.079 0.000 0.991 2064 V HN 0.941 nan 8.190 nan 0.000 0.427 2065 C N 4.453 123.833 119.300 0.134 0.000 2.891 2065 C HA 0.739 5.199 4.460 -0.000 0.000 0.342 2065 C C 0.285 175.377 174.990 0.169 0.000 1.126 2065 C CA -0.219 58.902 59.018 0.171 0.000 1.322 2065 C CB 1.397 29.243 27.740 0.177 0.000 1.763 2065 C HN 1.083 nan 8.230 nan 0.000 0.491 2066 S N 2.906 118.715 115.700 0.182 0.000 2.610 2066 S HA 0.512 4.982 4.470 -0.000 0.000 0.273 2066 S C 0.830 175.574 174.600 0.240 0.000 1.274 2066 S CA 0.380 58.670 58.200 0.150 0.000 1.023 2066 S CB 1.467 64.716 63.200 0.081 0.000 0.962 2066 S HN 1.126 nan 8.310 nan 0.000 0.523 2067 T N -1.392 113.264 114.554 0.170 0.000 3.000 2067 T HA 0.546 4.896 4.350 -0.000 0.000 0.248 2067 T C 1.215 175.956 174.700 0.068 0.000 1.034 2067 T CA 0.431 62.668 62.100 0.229 0.000 1.060 2067 T CB -0.873 68.081 68.868 0.144 0.000 0.983 2067 T HN 1.959 nan 8.240 nan 0.000 0.482 2068 G N 1.492 110.270 108.800 -0.038 0.000 2.698 2068 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.225 2068 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.225 2068 G C -0.706 174.167 174.900 -0.045 0.000 1.345 2068 G CA -0.507 44.529 45.100 -0.107 0.000 0.871 2068 G HN 0.637 nan 8.290 nan 0.000 0.540 2069 I N 2.153 122.690 120.570 -0.056 0.000 2.395 2069 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 2069 I C 1.102 177.211 176.117 -0.013 0.000 1.023 2069 I CA 0.832 62.115 61.300 -0.029 0.000 1.350 2069 I CB 0.683 38.658 38.000 -0.042 0.000 1.409 2069 I HN 2.084 nan 8.210 nan 0.000 0.507 2070 G N 3.901 112.703 108.800 0.003 0.000 2.699 2070 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.686 2070 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.686 2070 G C 0.526 175.434 174.900 0.013 0.000 1.301 2070 G CA -0.429 44.676 45.100 0.008 0.000 0.816 2070 G HN 0.927 nan 8.290 nan 0.000 0.595 2071 G N 0.173 108.978 108.800 0.009 0.000 2.418 2071 G HA2 0.116 4.075 3.960 -0.000 0.000 0.217 2071 G HA3 0.116 4.075 3.960 -0.000 0.000 0.217 2071 G C 0.142 175.048 174.900 0.010 0.000 1.158 2071 G CA 1.996 47.099 45.100 0.006 0.000 0.771 2071 G HN 0.692 nan 8.290 nan 0.000 0.545 2072 P HA -0.137 nan 4.420 nan 0.000 0.215 2072 P C 2.457 179.779 177.300 0.038 0.000 1.157 2072 P CA 2.352 65.449 63.100 -0.005 0.000 0.874 2072 P CB -0.198 31.493 31.700 -0.015 0.000 0.790 2073 S N -1.964 113.782 115.700 0.077 0.000 2.368 2073 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 2073 S C 1.945 176.696 174.600 0.251 0.000 1.029 2073 S CA 1.821 60.149 58.200 0.213 0.000 0.988 2073 S CB -2.001 61.275 63.200 0.128 0.000 0.838 2073 S HN 0.089 nan 8.310 nan 0.000 0.462 2074 T N 3.187 117.817 114.554 0.126 0.000 2.720 2074 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 2074 T C 2.313 177.007 174.700 -0.009 0.000 1.037 2074 T CA 1.978 64.120 62.100 0.069 0.000 1.144 2074 T CB -0.839 68.035 68.868 0.009 0.000 0.864 2074 T HN 0.797 nan 8.240 nan 0.000 0.444 2075 S N 1.071 116.764 115.700 -0.010 0.000 2.419 2075 S HA 0.003 4.472 4.470 -0.000 0.000 0.233 2075 S C 2.045 176.629 174.600 -0.026 0.000 1.016 2075 S CA 0.650 58.840 58.200 -0.016 0.000 0.974 2075 S CB -0.707 62.571 63.200 0.131 0.000 0.786 2075 S HN 0.499 nan 8.310 nan 0.000 0.492 2076 I N 1.885 122.417 120.570 -0.063 0.000 2.233 2076 I HA -0.057 4.113 4.170 -0.000 0.000 0.243 2076 I C 3.068 179.029 176.117 -0.260 0.000 1.093 2076 I CA 0.986 62.175 61.300 -0.185 0.000 1.380 2076 I CB -0.653 37.132 38.000 -0.359 0.000 1.067 2076 I HN 0.411 nan 8.210 nan 0.000 0.413 2077 A N 0.580 123.231 122.820 -0.282 0.000 1.858 2077 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 2077 A C 2.390 179.945 177.584 -0.048 0.000 1.190 2077 A CA 1.926 53.839 52.037 -0.207 0.000 0.617 2077 A CB -1.060 17.953 19.000 0.021 0.000 0.827 2077 A HN 0.226 nan 8.150 nan 0.000 0.443 2078 V N 0.259 120.111 119.914 -0.105 0.000 2.407 2078 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 2078 V C 2.603 178.612 176.094 -0.141 0.000 1.055 2078 V CA 2.450 64.582 62.300 -0.281 0.000 1.049 2078 V CB -0.807 30.629 31.823 -0.645 0.000 0.662 2078 V HN 0.748 nan 8.190 nan 0.000 0.455 2079 E N 1.054 121.199 120.200 -0.091 0.000 2.031 2079 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 2079 E C 2.118 178.743 176.600 0.040 0.000 0.994 2079 E CA 1.913 58.309 56.400 -0.008 0.000 0.800 2079 E CB -0.311 29.407 29.700 0.030 0.000 0.752 2079 E HN 0.674 nan 8.360 nan 0.000 0.447 2080 E N -0.119 120.094 120.200 0.022 0.000 2.152 2080 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 2080 E C 2.266 178.909 176.600 0.072 0.000 0.983 2080 E CA 0.710 57.135 56.400 0.042 0.000 0.818 2080 E CB -0.085 29.625 29.700 0.015 0.000 0.758 2080 E HN 0.293 nan 8.360 nan 0.000 0.467 2081 L N 0.599 121.891 121.223 0.116 0.000 2.093 2081 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 2081 L C 2.551 179.532 176.870 0.185 0.000 1.085 2081 L CA 0.947 55.888 54.840 0.169 0.000 0.755 2081 L CB -0.350 41.888 42.059 0.298 0.000 0.904 2081 L HN 0.143 nan 8.230 nan 0.000 0.435 2082 A N -0.675 122.304 122.820 0.265 0.000 1.930 2082 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 2082 A C 2.172 179.824 177.584 0.113 0.000 1.175 2082 A CA 1.342 53.514 52.037 0.224 0.000 0.627 2082 A CB -0.425 18.705 19.000 0.216 0.000 0.815 2082 A HN 0.466 nan 8.150 nan 0.000 0.443 2083 Q N -0.614 119.240 119.800 0.091 0.000 2.181 2083 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 2083 Q C 1.547 177.577 176.000 0.050 0.000 0.980 2083 Q CA 1.248 57.089 55.803 0.063 0.000 0.862 2083 Q CB -0.277 28.495 28.738 0.057 0.000 0.905 2083 Q HN 0.688 nan 8.270 nan 0.000 0.429 2084 L N -1.438 119.816 121.223 0.051 0.000 2.591 2084 L HA 0.167 4.506 4.340 -0.000 0.000 0.228 2084 L C 1.128 178.010 176.870 0.020 0.000 1.133 2084 L CA 0.461 55.321 54.840 0.033 0.000 0.880 2084 L CB 0.347 42.425 42.059 0.033 0.000 1.033 2084 L HN 0.373 nan 8.230 nan 0.000 0.450 2085 G N -0.310 108.504 108.800 0.024 0.000 2.192 2085 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 2085 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 2085 G C 0.174 175.061 174.900 -0.022 0.000 0.999 2085 G CA -0.737 44.367 45.100 0.007 0.000 0.659 2085 G HN 0.051 nan 8.290 nan 0.000 0.503 2086 I N 1.068 121.613 120.570 -0.041 0.000 2.556 2086 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 2086 I C 1.327 177.364 176.117 -0.133 0.000 1.114 2086 I CA 0.160 61.352 61.300 -0.179 0.000 1.418 2086 I CB 1.082 38.864 38.000 -0.364 0.000 1.394 2086 I HN 0.096 nan 8.210 nan 0.000 0.552 2087 R N 2.821 123.213 120.500 -0.180 0.000 2.412 2087 R HA 0.175 4.515 4.340 -0.000 0.000 0.212 2087 R C 0.003 176.278 176.300 -0.042 0.000 0.878 2087 R CA 0.324 56.404 56.100 -0.034 0.000 1.022 2087 R CB 0.294 30.588 30.300 -0.008 0.000 1.265 2087 R HN 0.506 nan 8.270 nan 0.000 0.620 2088 T N 1.729 116.154 114.554 -0.216 0.000 2.797 2088 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 2088 T C -0.875 173.620 174.700 -0.341 0.000 0.991 2088 T CA -0.205 61.815 62.100 -0.134 0.000 0.979 2088 T CB 1.080 69.901 68.868 -0.079 0.000 0.943 2088 T HN -0.169 nan 8.240 nan 0.000 0.444 2089 F N 2.548 122.496 119.950 -0.003 0.000 2.493 2089 F HA 0.568 5.095 4.527 -0.000 0.000 0.329 2089 F C -0.282 175.516 175.800 -0.003 0.000 1.126 2089 F CA -1.032 56.966 58.000 -0.003 0.000 0.937 2089 F CB 1.367 40.360 39.000 -0.012 0.000 1.146 2089 F HN 0.215 nan 8.300 nan 0.000 0.442 2090 L N 4.678 125.985 121.223 0.140 0.000 2.342 2090 L HA 0.508 4.848 4.340 -0.000 0.000 0.276 2090 L C -0.150 176.769 176.870 0.083 0.000 0.997 2090 L CA -0.779 54.112 54.840 0.084 0.000 0.838 2090 L CB 1.314 43.394 42.059 0.035 0.000 1.224 2090 L HN 0.474 nan 8.230 nan 0.000 0.416 2091 R N 3.990 124.533 120.500 0.071 0.000 2.265 2091 R HA 0.446 4.786 4.340 -0.000 0.000 0.314 2091 R C -0.844 175.477 176.300 0.035 0.000 1.053 2091 R CA -0.337 55.795 56.100 0.055 0.000 0.931 2091 R CB 1.518 31.843 30.300 0.042 0.000 1.024 2091 R HN 0.455 nan 8.270 nan 0.000 0.457 2092 I N 2.818 123.407 120.570 0.031 0.000 2.436 2092 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 2092 I C -0.441 175.687 176.117 0.018 0.000 1.010 2092 I CA -0.140 61.172 61.300 0.020 0.000 1.098 2092 I CB 1.643 39.651 38.000 0.014 0.000 1.266 2092 I HN 0.708 nan 8.210 nan 0.000 0.434 2093 G N 4.691 113.501 108.800 0.016 0.000 2.749 2093 G HA2 0.646 4.605 3.960 -0.000 0.000 0.300 2093 G HA3 0.646 4.605 3.960 -0.000 0.000 0.300 2093 G C -1.114 173.796 174.900 0.016 0.000 1.352 2093 G CA -0.320 44.789 45.100 0.015 0.000 0.789 2093 G HN 0.618 nan 8.290 nan 0.000 0.509 2094 T N -2.776 111.790 114.554 0.019 0.000 2.912 2094 T HA 0.763 5.113 4.350 -0.000 0.000 0.288 2094 T C -0.483 174.237 174.700 0.033 0.000 1.030 2094 T CA -0.594 61.520 62.100 0.023 0.000 1.020 2094 T CB 2.127 71.007 68.868 0.020 0.000 1.056 2094 T HN 0.916 nan 8.240 nan 0.000 0.480 2095 T N -0.063 114.510 114.554 0.031 0.000 2.868 2095 T HA 0.669 5.019 4.350 -0.000 0.000 0.306 2095 T C -0.468 174.247 174.700 0.024 0.000 1.224 2095 T CA -0.436 61.682 62.100 0.031 0.000 1.012 2095 T CB 1.384 70.263 68.868 0.018 0.000 1.221 2095 T HN 1.157 nan 8.240 nan 0.000 0.499 2096 G N 1.724 110.538 108.800 0.023 0.000 2.347 2096 G HA2 0.621 4.581 3.960 -0.000 0.000 0.314 2096 G HA3 0.621 4.581 3.960 -0.000 0.000 0.314 2096 G C 0.109 175.009 174.900 0.001 0.000 1.126 2096 G CA -0.189 44.919 45.100 0.014 0.000 0.929 2096 G HN 0.979 nan 8.290 nan 0.000 0.441 2097 A N 2.339 125.143 122.820 -0.027 0.000 2.425 2097 A HA 0.480 4.800 4.320 -0.000 0.000 0.249 2097 A C 1.166 178.712 177.584 -0.062 0.000 1.084 2097 A CA -0.285 51.708 52.037 -0.073 0.000 0.781 2097 A CB 0.178 19.113 19.000 -0.108 0.000 1.019 2097 A HN 1.261 nan 8.150 nan 0.000 0.490 2098 I N -1.905 118.607 120.570 -0.096 0.000 4.082 2098 I HA 0.230 4.400 4.170 -0.000 0.000 0.337 2098 I C -0.085 175.991 176.117 -0.068 0.000 1.352 2098 I CA -0.249 61.016 61.300 -0.058 0.000 1.097 2098 I CB 0.172 38.129 38.000 -0.072 0.000 1.048 2098 I HN 0.362 nan 8.210 nan 0.000 0.393 2099 Q N 2.773 122.487 119.800 -0.143 0.000 2.307 2099 Q HA 0.365 4.705 4.340 -0.000 0.000 0.262 2099 Q C -1.839 174.033 176.000 -0.215 0.000 0.961 2099 Q CA -2.008 53.692 55.803 -0.172 0.000 0.882 2099 Q CB 2.063 30.613 28.738 -0.313 0.000 1.264 2099 Q HN 0.021 nan 8.270 nan 0.000 0.446 2100 P HA -0.223 nan 4.420 nan 0.000 0.216 2100 P C 1.006 178.284 177.300 -0.036 0.000 1.150 2100 P CA 1.687 64.774 63.100 -0.022 0.000 0.837 2100 P CB -0.010 31.717 31.700 0.046 0.000 0.786 2101 H N -0.705 118.337 119.070 -0.047 0.000 2.495 2101 H HA 0.040 4.596 4.556 -0.000 0.000 0.287 2101 H C 0.808 176.095 175.328 -0.069 0.000 1.033 2101 H CA 0.156 56.179 56.048 -0.041 0.000 1.307 2101 H CB -0.800 28.941 29.762 -0.035 0.000 1.401 2101 H HN 0.089 nan 8.280 nan 0.000 0.555 2102 I N 3.349 123.557 120.570 -0.603 0.000 2.452 2102 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 2102 I C -0.019 176.015 176.117 -0.139 0.000 1.079 2102 I CA -0.111 60.936 61.300 -0.420 0.000 1.387 2102 I CB 0.382 38.071 38.000 -0.518 0.000 1.404 2102 I HN 0.152 nan 8.210 nan 0.000 0.522 2103 N N 4.870 123.564 118.700 -0.010 0.000 2.471 2103 N HA 0.397 5.137 4.740 -0.000 0.000 0.288 2103 N C -0.470 175.056 175.510 0.027 0.000 1.220 2103 N CA -0.649 52.410 53.050 0.014 0.000 0.893 2103 N CB 1.985 40.496 38.487 0.041 0.000 1.256 2103 N HN 0.204 nan 8.380 nan 0.000 0.534 2104 V N 0.499 120.428 119.914 0.024 0.000 2.673 2104 V HA 0.294 4.414 4.120 -0.000 0.000 0.303 2104 V C 1.507 177.626 176.094 0.043 0.000 1.046 2104 V CA 1.141 63.458 62.300 0.029 0.000 1.126 2104 V CB 0.180 32.017 31.823 0.023 0.000 0.934 2104 V HN 1.051 nan 8.190 nan 0.000 0.487 2105 G N 3.383 112.214 108.800 0.051 0.000 2.213 2105 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.226 2105 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.226 2105 G C -0.084 174.857 174.900 0.069 0.000 0.992 2105 G CA -0.026 45.116 45.100 0.069 0.000 0.632 2105 G HN 0.666 nan 8.290 nan 0.000 0.511 2106 D N 0.808 121.250 120.400 0.071 0.000 2.341 2106 D HA 0.480 5.120 4.640 -0.000 0.000 0.245 2106 D C 0.945 177.289 176.300 0.074 0.000 1.106 2106 D CA 0.550 54.600 54.000 0.084 0.000 0.905 2106 D CB 1.874 42.789 40.800 0.193 0.000 1.202 2106 D HN 0.892 nan 8.370 nan 0.000 0.426 2107 V N -0.352 119.588 119.914 0.043 0.000 2.532 2107 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 2107 V C -0.313 175.814 176.094 0.054 0.000 1.041 2107 V CA -0.864 61.459 62.300 0.037 0.000 0.926 2107 V CB 1.323 33.152 31.823 0.009 0.000 0.992 2107 V HN 0.317 nan 8.190 nan 0.000 0.457 2108 L N 4.528 125.782 121.223 0.051 0.000 2.325 2108 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 2108 L C -0.618 176.269 176.870 0.029 0.000 1.004 2108 L CA -0.746 54.127 54.840 0.056 0.000 0.823 2108 L CB 1.929 44.014 42.059 0.043 0.000 1.236 2108 L HN 0.510 nan 8.230 nan 0.000 0.415 2109 V N 1.761 121.691 119.914 0.026 0.000 2.427 2109 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 2109 V C 0.297 176.400 176.094 0.015 0.000 1.034 2109 V CA -0.352 61.955 62.300 0.012 0.000 0.893 2109 V CB 1.760 33.583 31.823 -0.001 0.000 0.982 2109 V HN 0.723 nan 8.190 nan 0.000 0.452 2110 T N 3.215 117.774 114.554 0.008 0.000 2.743 2110 T HA 0.237 4.587 4.350 -0.000 0.000 0.292 2110 T C 1.245 175.952 174.700 0.011 0.000 0.972 2110 T CA 0.123 62.226 62.100 0.005 0.000 0.967 2110 T CB 1.279 70.145 68.868 -0.004 0.000 0.926 2110 T HN 0.978 nan 8.240 nan 0.000 0.459 2111 T N 1.021 115.585 114.554 0.015 0.000 2.851 2111 T HA 0.441 4.791 4.350 -0.000 0.000 0.262 2111 T C 0.787 175.500 174.700 0.021 0.000 1.043 2111 T CA 0.343 62.460 62.100 0.029 0.000 1.140 2111 T CB 0.134 69.024 68.868 0.036 0.000 0.872 2111 T HN 0.720 nan 8.240 nan 0.000 0.446 2112 A N -0.076 122.746 122.820 0.003 0.000 2.610 2112 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 2112 A C -0.972 176.594 177.584 -0.030 0.000 1.086 2112 A CA -0.822 51.211 52.037 -0.006 0.000 0.677 2112 A CB 1.550 20.545 19.000 -0.009 0.000 1.278 2112 A HN 0.235 nan 8.150 nan 0.000 0.414 2113 S N -0.330 115.349 115.700 -0.034 0.000 2.513 2113 S HA 0.581 5.050 4.470 -0.000 0.000 0.299 2113 S C -0.420 174.126 174.600 -0.091 0.000 1.087 2113 S CA -0.520 57.640 58.200 -0.066 0.000 1.012 2113 S CB 1.692 64.864 63.200 -0.046 0.000 1.044 2113 S HN 0.828 nan 8.310 nan 0.000 0.485 2114 V N 3.323 123.132 119.914 -0.175 0.000 2.521 2114 V HA 0.170 4.290 4.120 -0.000 0.000 0.286 2114 V C 0.667 176.679 176.094 -0.136 0.000 1.034 2114 V CA 0.106 62.264 62.300 -0.238 0.000 1.045 2114 V CB 0.027 31.509 31.823 -0.567 0.000 0.974 2114 V HN 0.702 nan 8.190 nan 0.000 0.480 2115 R N 5.056 125.523 120.500 -0.054 0.000 3.701 2115 R HA 0.310 4.650 4.340 -0.000 0.000 0.210 2115 R C 0.111 176.447 176.300 0.060 0.000 1.598 2115 R CA -0.126 55.985 56.100 0.018 0.000 1.427 2115 R CB -0.050 30.284 30.300 0.056 0.000 1.339 2115 R HN 0.667 nan 8.270 nan 0.000 0.720 2116 L N 1.715 122.979 121.223 0.069 0.000 2.805 2116 L HA 0.094 4.434 4.340 -0.000 0.000 0.237 2116 L C 0.427 177.396 176.870 0.165 0.000 1.252 2116 L CA -0.160 54.794 54.840 0.190 0.000 1.064 2116 L CB -0.768 41.465 42.059 0.289 0.000 1.361 2116 L HN 0.477 nan 8.230 nan 0.000 0.474 2117 D N -1.477 118.991 120.400 0.114 0.000 2.666 2117 D HA 0.349 4.989 4.640 -0.000 0.000 0.252 2117 D C 0.726 177.088 176.300 0.104 0.000 1.143 2117 D CA -0.174 53.881 54.000 0.091 0.000 1.096 2117 D CB 1.617 42.453 40.800 0.059 0.000 1.260 2117 D HN -0.085 nan 8.370 nan 0.000 0.633 2118 G N -1.284 107.565 108.800 0.082 0.000 2.759 2118 G HA2 0.269 4.229 3.960 -0.000 0.000 0.197 2118 G HA3 0.269 4.229 3.960 -0.000 0.000 0.197 2118 G C 1.277 176.230 174.900 0.088 0.000 1.067 2118 G CA 0.653 45.812 45.100 0.099 0.000 0.742 2118 G HN 0.616 nan 8.290 nan 0.000 0.651 2119 A N 1.268 124.082 122.820 -0.011 0.000 1.972 2119 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 2119 A C 2.544 180.251 177.584 0.205 0.000 1.169 2119 A CA 2.201 54.193 52.037 -0.076 0.000 0.635 2119 A CB -0.638 18.349 19.000 -0.022 0.000 0.810 2119 A HN 0.259 nan 8.150 nan 0.000 0.446 2120 S N -0.068 115.751 115.700 0.198 0.000 2.381 2120 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 2120 S C 1.644 176.404 174.600 0.268 0.000 1.052 2120 S CA 1.817 60.155 58.200 0.231 0.000 1.068 2120 S CB -0.517 62.768 63.200 0.141 0.000 0.918 2120 S HN 0.550 nan 8.310 nan 0.000 0.448 2121 L N 0.440 121.806 121.223 0.237 0.000 2.456 2121 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 2121 L C 1.680 178.608 176.870 0.097 0.000 1.148 2121 L CA 0.864 55.804 54.840 0.166 0.000 0.825 2121 L CB -0.495 41.649 42.059 0.141 0.000 0.937 2121 L HN 0.471 nan 8.230 nan 0.000 0.450 2122 H N -1.974 117.044 119.070 -0.086 0.000 2.539 2122 H HA 0.082 4.638 4.556 -0.000 0.000 0.269 2122 H C 1.051 175.990 175.328 -0.647 0.000 0.980 2122 H CA 0.438 56.275 56.048 -0.351 0.000 1.152 2122 H CB 0.505 29.999 29.762 -0.446 0.000 1.407 2122 H HN 0.355 nan 8.280 nan 0.000 0.564 2123 F N -0.299 119.662 119.950 0.018 0.000 2.729 2123 F HA 0.441 4.968 4.527 -0.000 0.000 0.304 2123 F C 0.780 176.480 175.800 -0.166 0.000 1.008 2123 F CA -0.049 57.904 58.000 -0.078 0.000 1.188 2123 F CB 1.096 40.036 39.000 -0.101 0.000 0.980 2123 F HN -0.034 nan 8.300 nan 0.000 0.627 2124 A N 0.512 123.343 122.820 0.018 0.000 2.589 2124 A HA 0.633 4.953 4.320 -0.000 0.000 0.296 2124 A C -2.848 174.752 177.584 0.025 0.000 1.062 2124 A CA -1.373 50.606 52.037 -0.098 0.000 0.686 2124 A CB 0.695 19.436 19.000 -0.431 0.000 1.282 2124 A HN -0.173 nan 8.150 nan 0.000 0.404 2125 P HA 0.148 nan 4.420 nan 0.000 0.272 2125 P C 0.884 178.260 177.300 0.127 0.000 1.240 2125 P CA -0.271 62.875 63.100 0.077 0.000 0.791 2125 P CB 0.465 32.206 31.700 0.069 0.000 0.978 2126 M N 1.437 121.099 119.600 0.102 0.000 2.195 2126 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 2126 M C 1.525 177.897 176.300 0.119 0.000 1.066 2126 M CA 1.942 57.306 55.300 0.108 0.000 1.089 2126 M CB -1.263 31.385 32.600 0.081 0.000 1.377 2126 M HN 0.334 nan 8.290 nan 0.000 0.411 2127 E N -0.788 119.481 120.200 0.115 0.000 2.130 2127 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 2127 E C 0.416 177.084 176.600 0.114 0.000 0.998 2127 E CA 0.871 57.329 56.400 0.098 0.000 0.806 2127 E CB -0.514 29.238 29.700 0.087 0.000 0.738 2127 E HN 0.495 nan 8.360 nan 0.000 0.459 2128 F N 2.219 122.186 119.950 0.029 0.000 2.572 2128 F HA 0.087 4.614 4.527 -0.000 0.000 0.370 2128 F C -1.912 173.902 175.800 0.024 0.000 1.103 2128 F CA -2.406 55.611 58.000 0.028 0.000 1.286 2128 F CB 0.525 39.548 39.000 0.038 0.000 1.105 2128 F HN -0.102 nan 8.300 nan 0.000 0.583 2129 P HA 0.178 nan 4.420 nan 0.000 0.286 2129 P C -1.330 176.016 177.300 0.077 0.000 1.269 2129 P CA -0.458 62.589 63.100 -0.089 0.000 0.787 2129 P CB 1.288 32.864 31.700 -0.207 0.000 0.920 2130 A N 3.989 126.865 122.820 0.093 0.000 3.026 2130 A HA 0.269 4.589 4.320 -0.000 0.000 0.272 2130 A C 0.224 177.838 177.584 0.051 0.000 1.782 2130 A CA -0.286 51.810 52.037 0.098 0.000 1.451 2130 A CB -0.945 18.090 19.000 0.057 0.000 1.081 2130 A HN 0.466 nan 8.150 nan 0.000 0.611 2131 V N 1.950 121.901 119.914 0.061 0.000 2.483 2131 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 2131 V C 0.634 176.762 176.094 0.056 0.000 1.035 2131 V CA -0.244 62.078 62.300 0.036 0.000 0.896 2131 V CB 1.429 33.253 31.823 0.002 0.000 0.986 2131 V HN 0.927 nan 8.190 nan 0.000 0.447 2132 A N 4.872 127.722 122.820 0.050 0.000 2.386 2132 A HA 0.298 4.618 4.320 -0.000 0.000 0.248 2132 A C 0.302 177.936 177.584 0.083 0.000 1.082 2132 A CA -0.248 51.823 52.037 0.057 0.000 0.789 2132 A CB 0.177 19.203 19.000 0.043 0.000 1.025 2132 A HN 0.970 nan 8.150 nan 0.000 0.490 2133 D N 0.692 121.143 120.400 0.085 0.000 2.424 2133 D HA -0.019 4.621 4.640 -0.000 0.000 0.244 2133 D C 0.635 177.013 176.300 0.130 0.000 1.134 2133 D CA -0.112 53.953 54.000 0.110 0.000 0.881 2133 D CB 0.350 41.205 40.800 0.092 0.000 1.191 2133 D HN 0.420 nan 8.370 nan 0.000 0.445 2134 F N 4.018 123.978 119.950 0.016 0.000 2.075 2134 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 2134 F C 2.164 177.970 175.800 0.011 0.000 1.113 2134 F CA 1.834 59.840 58.000 0.010 0.000 1.218 2134 F CB -0.520 38.484 39.000 0.007 0.000 0.984 2134 F HN 0.528 nan 8.300 nan 0.000 0.472 2135 A N -0.476 122.312 122.820 -0.052 0.000 1.908 2135 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 2135 A C 2.403 179.895 177.584 -0.154 0.000 1.181 2135 A CA 1.889 53.836 52.037 -0.150 0.000 0.627 2135 A CB -1.686 17.308 19.000 -0.010 0.000 0.818 2135 A HN 0.582 nan 8.150 nan 0.000 0.445 2136 C N -1.131 118.126 119.300 -0.073 0.000 2.432 2136 C HA -0.093 4.366 4.460 -0.000 0.000 0.277 2136 C C 3.072 178.012 174.990 -0.083 0.000 1.249 2136 C CA 1.581 60.568 59.018 -0.052 0.000 1.725 2136 C CB -1.562 26.178 27.740 0.001 0.000 2.028 2136 C HN 0.663 nan 8.230 nan 0.000 0.477 2137 T N 0.520 115.014 114.554 -0.099 0.000 2.652 2137 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 2137 T C 1.787 176.382 174.700 -0.174 0.000 1.039 2137 T CA 2.223 64.260 62.100 -0.105 0.000 1.153 2137 T CB -0.670 68.162 68.868 -0.061 0.000 0.863 2137 T HN 0.591 nan 8.240 nan 0.000 0.428 2138 T N 2.166 116.516 114.554 -0.339 0.000 2.635 2138 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 2138 T C 2.396 176.979 174.700 -0.196 0.000 1.040 2138 T CA 1.440 63.328 62.100 -0.352 0.000 1.156 2138 T CB -0.755 67.760 68.868 -0.590 0.000 0.863 2138 T HN 0.457 nan 8.240 nan 0.000 0.430 2139 A N 1.093 123.812 122.820 -0.167 0.000 1.892 2139 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 2139 A C 2.351 179.889 177.584 -0.077 0.000 1.188 2139 A CA 1.539 53.515 52.037 -0.102 0.000 0.631 2139 A CB -0.979 17.973 19.000 -0.080 0.000 0.822 2139 A HN 0.497 nan 8.150 nan 0.000 0.447 2140 L N -0.716 120.463 121.223 -0.072 0.000 2.046 2140 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 2140 L C 2.535 179.374 176.870 -0.052 0.000 1.077 2140 L CA 1.187 55.997 54.840 -0.050 0.000 0.747 2140 L CB -0.505 41.531 42.059 -0.037 0.000 0.896 2140 L HN 0.265 nan 8.230 nan 0.000 0.432 2141 V N -0.517 119.358 119.914 -0.064 0.000 2.427 2141 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 2141 V C 2.493 178.552 176.094 -0.059 0.000 1.051 2141 V CA 1.494 63.759 62.300 -0.058 0.000 1.048 2141 V CB -0.486 31.302 31.823 -0.059 0.000 0.666 2141 V HN 0.433 nan 8.190 nan 0.000 0.456 2142 E N 0.715 120.875 120.200 -0.065 0.000 2.047 2142 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 2142 E C 2.406 178.977 176.600 -0.049 0.000 0.987 2142 E CA 1.512 57.878 56.400 -0.056 0.000 0.799 2142 E CB -0.478 29.186 29.700 -0.060 0.000 0.752 2142 E HN 0.564 nan 8.360 nan 0.000 0.449 2143 A N 1.660 124.451 122.820 -0.048 0.000 1.933 2143 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 2143 A C 2.419 179.976 177.584 -0.046 0.000 1.175 2143 A CA 1.891 53.903 52.037 -0.041 0.000 0.628 2143 A CB -0.489 18.490 19.000 -0.035 0.000 0.814 2143 A HN 0.266 nan 8.150 nan 0.000 0.444 2144 A N -0.353 122.438 122.820 -0.049 0.000 1.873 2144 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 2144 A C 2.166 179.708 177.584 -0.070 0.000 1.186 2144 A CA 1.815 53.817 52.037 -0.059 0.000 0.616 2144 A CB -0.423 18.544 19.000 -0.055 0.000 0.823 2144 A HN 0.463 nan 8.150 nan 0.000 0.442 2145 K N 0.370 120.733 120.400 -0.062 0.000 2.097 2145 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 2145 K C 2.224 178.790 176.600 -0.057 0.000 1.050 2145 K CA 1.655 57.906 56.287 -0.060 0.000 0.938 2145 K CB -0.182 32.288 32.500 -0.050 0.000 0.718 2145 K HN 0.603 nan 8.250 nan 0.000 0.442 2146 S N 0.243 115.912 115.700 -0.051 0.000 2.474 2146 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 2146 S C 1.518 176.087 174.600 -0.052 0.000 0.997 2146 S CA 0.624 58.797 58.200 -0.045 0.000 0.949 2146 S CB -0.288 62.889 63.200 -0.037 0.000 0.766 2146 S HN 0.343 nan 8.310 nan 0.000 0.517 2147 I N 1.226 121.754 120.570 -0.070 0.000 3.941 2147 I HA 0.324 4.494 4.170 -0.000 0.000 0.335 2147 I C 1.239 177.280 176.117 -0.126 0.000 1.402 2147 I CA 0.015 61.258 61.300 -0.094 0.000 1.112 2147 I CB -0.376 37.558 38.000 -0.110 0.000 1.043 2147 I HN 0.394 nan 8.210 nan 0.000 0.395 2148 G N 2.584 111.326 108.800 -0.098 0.000 2.372 2148 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.297 2148 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.297 2148 G C 0.113 174.939 174.900 -0.124 0.000 1.005 2148 G CA 0.307 45.351 45.100 -0.094 0.000 1.173 2148 G HN 0.581 nan 8.290 nan 0.000 0.511 2149 A N 0.277 123.020 122.820 -0.128 0.000 2.325 2149 A HA 0.873 5.193 4.320 -0.000 0.000 0.333 2149 A C 0.623 178.138 177.584 -0.114 0.000 1.155 2149 A CA 0.112 52.067 52.037 -0.137 0.000 0.814 2149 A CB 1.040 19.954 19.000 -0.143 0.000 1.206 2149 A HN 0.863 nan 8.150 nan 0.000 0.482 2150 T N 2.781 117.270 114.554 -0.107 0.000 2.776 2150 T HA 0.390 4.739 4.350 -0.000 0.000 0.292 2150 T C -0.043 174.519 174.700 -0.230 0.000 0.921 2150 T CA 0.375 62.386 62.100 -0.147 0.000 1.038 2150 T CB -0.373 68.441 68.868 -0.089 0.000 0.910 2150 T HN 0.568 nan 8.240 nan 0.000 0.536 2151 T N 4.564 118.945 114.554 -0.287 0.000 2.779 2151 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 2151 T C -0.362 174.120 174.700 -0.364 0.000 0.987 2151 T CA -0.787 61.168 62.100 -0.241 0.000 0.966 2151 T CB 0.731 69.526 68.868 -0.122 0.000 0.933 2151 T HN 0.519 nan 8.240 nan 0.000 0.442 2152 H N 1.617 120.692 119.070 0.009 0.000 2.481 2152 H HA 0.523 5.079 4.556 -0.000 0.000 0.333 2152 H C -0.688 174.647 175.328 0.011 0.000 1.066 2152 H CA -0.521 55.540 56.048 0.022 0.000 1.209 2152 H CB 1.621 31.400 29.762 0.028 0.000 1.445 2152 H HN 0.297 nan 8.280 nan 0.000 0.488 2153 V N 2.268 122.253 119.914 0.119 0.000 2.459 2153 V HA 0.751 4.871 4.120 -0.000 0.000 0.295 2153 V C 0.664 176.798 176.094 0.067 0.000 1.029 2153 V CA -0.276 62.065 62.300 0.068 0.000 0.874 2153 V CB 1.353 33.200 31.823 0.040 0.000 0.985 2153 V HN 1.090 nan 8.190 nan 0.000 0.438 2154 G N 2.943 111.769 108.800 0.044 0.000 2.452 2154 G HA2 0.360 4.320 3.960 -0.000 0.000 0.224 2154 G HA3 0.360 4.320 3.960 -0.000 0.000 0.224 2154 G C -1.392 173.509 174.900 0.003 0.000 1.208 2154 G CA -0.332 44.785 45.100 0.028 0.000 0.946 2154 G HN 0.584 nan 8.290 nan 0.000 0.481 2155 V N 1.135 121.040 119.914 -0.015 0.000 2.465 2155 V HA 0.635 4.755 4.120 -0.000 0.000 0.279 2155 V C 0.211 176.253 176.094 -0.087 0.000 1.045 2155 V CA -0.131 62.140 62.300 -0.048 0.000 0.938 2155 V CB 1.199 32.990 31.823 -0.053 0.000 0.986 2155 V HN 0.753 nan 8.190 nan 0.000 0.467 2156 T N 3.698 118.189 114.554 -0.105 0.000 2.856 2156 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 2156 T C 0.021 174.599 174.700 -0.203 0.000 1.008 2156 T CA -0.302 61.715 62.100 -0.139 0.000 0.997 2156 T CB 1.661 70.480 68.868 -0.082 0.000 0.992 2156 T HN 0.907 nan 8.240 nan 0.000 0.454 2157 A N 2.296 124.941 122.820 -0.292 0.000 2.302 2157 A HA 0.596 4.916 4.320 -0.000 0.000 0.295 2157 A C 0.431 177.957 177.584 -0.095 0.000 1.235 2157 A CA -0.461 51.373 52.037 -0.338 0.000 0.876 2157 A CB 0.294 18.928 19.000 -0.609 0.000 1.133 2157 A HN 0.644 nan 8.150 nan 0.000 0.533 2158 S N 2.350 118.005 115.700 -0.074 0.000 2.420 2158 S HA 0.512 4.982 4.470 -0.000 0.000 0.313 2158 S C -0.057 174.557 174.600 0.023 0.000 1.079 2158 S CA -0.323 57.873 58.200 -0.007 0.000 1.104 2158 S CB 0.375 63.565 63.200 -0.017 0.000 0.969 2158 S HN 0.882 nan 8.310 nan 0.000 0.471 2159 S N 3.297 119.012 115.700 0.026 0.000 2.501 2159 S HA 0.350 4.820 4.470 -0.000 0.000 0.301 2159 S C 0.519 175.104 174.600 -0.025 0.000 1.096 2159 S CA -0.654 57.537 58.200 -0.016 0.000 1.063 2159 S CB 1.199 64.320 63.200 -0.131 0.000 1.042 2159 S HN 0.768 nan 8.310 nan 0.000 0.494 2160 D N 1.862 122.255 120.400 -0.013 0.000 2.269 2160 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 2160 D C 0.895 177.182 176.300 -0.022 0.000 0.963 2160 D CA 1.019 55.018 54.000 -0.001 0.000 0.864 2160 D CB 0.149 40.967 40.800 0.030 0.000 0.936 2160 D HN 0.708 nan 8.370 nan 0.000 0.505 2161 T N -3.642 110.861 114.554 -0.086 0.000 2.912 2161 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 2161 T C 0.622 175.253 174.700 -0.115 0.000 1.030 2161 T CA -0.885 61.176 62.100 -0.065 0.000 1.020 2161 T CB 1.368 70.189 68.868 -0.078 0.000 1.056 2161 T HN -0.105 nan 8.240 nan 0.000 0.480 2162 F N 0.249 120.062 119.950 -0.228 0.000 2.367 2162 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 2162 F C 1.010 176.478 175.800 -0.553 0.000 1.094 2162 F CA 0.807 58.555 58.000 -0.420 0.000 1.409 2162 F CB -0.018 38.660 39.000 -0.536 0.000 1.064 2162 F HN 0.695 nan 8.300 nan 0.000 0.528 2163 Y N 0.241 120.489 120.300 -0.086 0.000 2.382 2163 Y HA 0.148 4.698 4.550 -0.000 0.000 0.263 2163 Y C -0.539 175.188 175.900 -0.289 0.000 1.103 2163 Y CA 0.296 58.307 58.100 -0.148 0.000 1.223 2163 Y CB -1.778 36.676 38.460 -0.010 0.000 1.124 2163 Y HN -0.227 nan 8.280 nan 0.000 0.501 2164 P HA -0.062 nan 4.420 nan 0.000 0.217 2164 P C 1.446 178.442 177.300 -0.506 0.000 1.151 2164 P CA 2.086 65.047 63.100 -0.232 0.000 0.828 2164 P CB -0.151 31.477 31.700 -0.120 0.000 0.788 2165 G N -0.106 108.255 108.800 -0.732 0.000 2.598 2165 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 2165 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 2165 G C 1.324 175.719 174.900 -0.842 0.000 1.131 2165 G CA 0.222 44.533 45.100 -1.316 0.000 0.785 2165 G HN 0.366 nan 8.290 nan 0.000 0.539 2166 Q N -0.519 118.821 119.800 -0.765 0.000 2.172 2166 Q HA 0.189 4.529 4.340 -0.000 0.000 0.217 2166 Q C -0.074 175.581 176.000 -0.575 0.000 0.832 2166 Q CA -0.298 54.849 55.803 -1.093 0.000 1.010 2166 Q CB 0.542 28.553 28.738 -1.211 0.000 1.133 2166 Q HN 0.584 nan 8.270 nan 0.000 0.489 2167 E N 1.779 121.757 120.200 -0.369 0.000 2.210 2167 E HA -0.231 4.119 4.350 -0.000 0.000 0.201 2167 E C -1.013 175.399 176.600 -0.314 0.000 1.339 2167 E CA 0.179 56.411 56.400 -0.281 0.000 0.699 2167 E CB -0.337 29.326 29.700 -0.060 0.000 1.126 2167 E HN 0.319 nan 8.360 nan 0.000 0.355 2168 R N 0.488 120.799 120.500 -0.315 0.000 2.312 2168 R HA 0.254 4.594 4.340 -0.000 0.000 0.311 2168 R C 0.277 176.439 176.300 -0.230 0.000 1.004 2168 R CA -0.288 55.718 56.100 -0.157 0.000 0.902 2168 R CB 0.580 30.880 30.300 0.000 0.000 1.073 2168 R HN 0.232 nan 8.270 nan 0.000 0.457 2169 Y N 0.114 120.444 120.300 0.051 0.000 2.481 2169 Y HA -0.026 4.524 4.550 -0.000 0.000 0.258 2169 Y C 0.895 176.816 175.900 0.035 0.000 1.103 2169 Y CA -0.176 57.946 58.100 0.036 0.000 1.287 2169 Y CB 0.493 38.967 38.460 0.022 0.000 1.108 2169 Y HN 0.565 nan 8.280 nan 0.000 0.529 2170 D N 1.692 122.201 120.400 0.183 0.000 2.848 2170 D HA -0.011 4.629 4.640 -0.000 0.000 0.232 2170 D C 0.243 176.593 176.300 0.083 0.000 1.107 2170 D CA 0.391 54.468 54.000 0.129 0.000 1.020 2170 D CB -0.578 40.302 40.800 0.134 0.000 1.148 2170 D HN 0.262 nan 8.370 nan 0.000 0.453 2171 T N -3.835 110.742 114.554 0.037 0.000 2.773 2171 T HA 0.220 4.569 4.350 -0.000 0.000 0.278 2171 T C 0.921 175.620 174.700 -0.003 0.000 1.011 2171 T CA -0.965 61.106 62.100 -0.048 0.000 1.014 2171 T CB 1.000 69.810 68.868 -0.097 0.000 1.293 2171 T HN 0.101 nan 8.240 nan 0.000 0.554 2172 Y N 1.347 121.577 120.300 -0.116 0.000 2.114 2172 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 2172 Y C 2.792 178.670 175.900 -0.035 0.000 1.143 2172 Y CA 2.668 60.725 58.100 -0.072 0.000 1.135 2172 Y CB -0.402 38.006 38.460 -0.086 0.000 0.980 2172 Y HN 0.716 nan 8.280 nan 0.000 0.499 2173 S N -0.852 114.734 115.700 -0.190 0.000 2.446 2173 S HA 0.130 4.600 4.470 -0.000 0.000 0.225 2173 S C 1.839 176.369 174.600 -0.117 0.000 1.016 2173 S CA 0.611 58.668 58.200 -0.239 0.000 0.943 2173 S CB -0.538 62.638 63.200 -0.041 0.000 0.786 2173 S HN 1.035 nan 8.310 nan 0.000 0.508 2174 G N 2.045 110.826 108.800 -0.033 0.000 2.166 2174 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 2174 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 2174 G C 0.023 175.018 174.900 0.159 0.000 0.986 2174 G CA 0.502 45.639 45.100 0.061 0.000 0.683 2174 G HN 1.028 nan 8.290 nan 0.000 0.527 2175 R N -1.440 119.123 120.500 0.106 0.000 2.778 2175 R HA 0.821 5.161 4.340 -0.000 0.000 0.277 2175 R C -1.005 175.336 176.300 0.068 0.000 0.977 2175 R CA -1.035 55.151 56.100 0.143 0.000 0.950 2175 R CB 2.217 32.567 30.300 0.084 0.000 1.165 2175 R HN 0.233 nan 8.270 nan 0.000 0.474 2176 V N 2.652 122.622 119.914 0.093 0.000 2.487 2176 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 2176 V C -0.060 176.093 176.094 0.097 0.000 1.028 2176 V CA -1.070 61.231 62.300 0.003 0.000 0.860 2176 V CB 1.761 33.467 31.823 -0.194 0.000 0.991 2176 V HN 0.691 nan 8.190 nan 0.000 0.427 2177 V N 5.994 125.977 119.914 0.116 0.000 2.788 2177 V HA 0.029 4.149 4.120 -0.000 0.000 0.307 2177 V C 1.861 178.023 176.094 0.113 0.000 1.069 2177 V CA 0.789 63.163 62.300 0.124 0.000 1.173 2177 V CB 0.793 32.707 31.823 0.152 0.000 0.925 2177 V HN 0.967 nan 8.190 nan 0.000 0.492 2178 R N 3.893 124.431 120.500 0.064 0.000 2.159 2178 R HA -0.269 4.071 4.340 -0.000 0.000 0.249 2178 R C 2.359 178.648 176.300 -0.019 0.000 1.136 2178 R CA 2.828 58.944 56.100 0.028 0.000 0.951 2178 R CB -0.434 29.872 30.300 0.009 0.000 0.876 2178 R HN 0.851 nan 8.270 nan 0.000 0.440 2179 R N -0.735 119.718 120.500 -0.078 0.000 2.119 2179 R HA -0.198 4.142 4.340 -0.000 0.000 0.246 2179 R C 1.403 177.478 176.300 -0.376 0.000 1.146 2179 R CA 2.266 58.203 56.100 -0.272 0.000 0.962 2179 R CB -0.290 29.761 30.300 -0.415 0.000 0.863 2179 R HN 0.340 nan 8.270 nan 0.000 0.442 2180 F N 0.093 120.058 119.950 0.025 0.000 2.664 2180 F HA 0.262 4.789 4.527 -0.000 0.000 0.303 2180 F C 0.394 176.189 175.800 -0.009 0.000 1.092 2180 F CA -0.361 57.649 58.000 0.017 0.000 1.305 2180 F CB 0.447 39.459 39.000 0.019 0.000 1.054 2180 F HN -0.196 nan 8.300 nan 0.000 0.565 2181 K N 0.690 121.163 120.400 0.121 0.000 2.338 2181 K HA 0.361 4.681 4.320 -0.000 0.000 0.290 2181 K C 1.039 177.679 176.600 0.067 0.000 1.069 2181 K CA 0.719 57.081 56.287 0.125 0.000 0.941 2181 K CB 0.096 32.663 32.500 0.113 0.000 1.023 2181 K HN 0.326 nan 8.250 nan 0.000 0.477 2182 G N 2.455 111.313 108.800 0.095 0.000 2.143 2182 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 2182 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 2182 G C 0.727 175.587 174.900 -0.067 0.000 0.991 2182 G CA 0.724 45.840 45.100 0.026 0.000 0.689 2182 G HN 0.713 nan 8.290 nan 0.000 0.522 2183 S N -1.029 114.635 115.700 -0.061 0.000 2.461 2183 S HA 0.135 4.605 4.470 -0.000 0.000 0.228 2183 S C 2.191 176.579 174.600 -0.354 0.000 1.005 2183 S CA 1.428 59.459 58.200 -0.280 0.000 0.942 2183 S CB -0.139 63.054 63.200 -0.011 0.000 0.776 2183 S HN 0.607 nan 8.310 nan 0.000 0.514 2184 M N 1.330 120.942 119.600 0.018 0.000 2.099 2184 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 2184 M C 2.454 178.777 176.300 0.039 0.000 1.067 2184 M CA 1.680 57.079 55.300 0.166 0.000 1.124 2184 M CB -0.195 32.558 32.600 0.254 0.000 1.353 2184 M HN 0.219 nan 8.290 nan 0.000 0.410 2185 E N 0.796 120.992 120.200 -0.006 0.000 2.097 2185 E HA -0.259 4.090 4.350 -0.000 0.000 0.196 2185 E C 1.699 178.260 176.600 -0.066 0.000 1.000 2185 E CA 1.743 58.131 56.400 -0.019 0.000 0.804 2185 E CB -0.252 29.436 29.700 -0.020 0.000 0.740 2185 E HN 0.616 nan 8.360 nan 0.000 0.454 2186 E N -0.712 119.372 120.200 -0.194 0.000 2.038 2186 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 2186 E C 2.165 178.699 176.600 -0.110 0.000 1.000 2186 E CA 1.421 57.662 56.400 -0.265 0.000 0.803 2186 E CB -0.361 29.010 29.700 -0.547 0.000 0.750 2186 E HN 0.451 nan 8.360 nan 0.000 0.448 2187 W N 1.132 122.445 121.300 0.021 0.000 2.363 2187 W HA -0.183 4.477 4.660 0.000 0.000 0.296 2187 W C 2.531 179.023 176.519 -0.044 0.000 1.212 2187 W CA 0.169 57.499 57.345 -0.024 0.000 1.260 2187 W CB -0.199 29.215 29.460 -0.077 0.000 1.131 2187 W HN 0.150 nan 8.180 nan 0.000 0.530 2188 Q N 0.498 120.395 119.800 0.160 0.000 2.061 2188 Q HA -0.203 4.136 4.340 -0.000 0.000 0.204 2188 Q C 2.530 178.574 176.000 0.074 0.000 0.984 2188 Q CA 1.872 57.726 55.803 0.085 0.000 0.846 2188 Q CB -0.652 28.120 28.738 0.058 0.000 0.902 2188 Q HN 0.334 nan 8.270 nan 0.000 0.421 2189 A N 0.620 123.474 122.820 0.057 0.000 1.933 2189 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 2189 A C 1.902 179.523 177.584 0.061 0.000 1.175 2189 A CA 1.307 53.370 52.037 0.043 0.000 0.628 2189 A CB -0.412 18.598 19.000 0.017 0.000 0.814 2189 A HN 0.318 nan 8.150 nan 0.000 0.444 2190 M N -1.185 118.475 119.600 0.100 0.000 2.659 2190 M HA 0.146 4.626 4.480 -0.000 0.000 0.243 2190 M C 1.338 177.693 176.300 0.092 0.000 1.111 2190 M CA 0.777 56.147 55.300 0.116 0.000 1.070 2190 M CB 0.108 32.830 32.600 0.204 0.000 1.525 2190 M HN 0.633 nan 8.290 nan 0.000 0.517 2191 G N 0.503 109.351 108.800 0.080 0.000 2.159 2191 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 2191 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 2191 G C 0.106 175.029 174.900 0.040 0.000 0.977 2191 G CA -0.159 44.978 45.100 0.061 0.000 0.652 2191 G HN 0.313 nan 8.290 nan 0.000 0.531 2192 V N 1.688 121.623 119.914 0.035 0.000 2.617 2192 V HA 0.131 4.251 4.120 -0.000 0.000 0.304 2192 V C 1.899 177.946 176.094 -0.079 0.000 1.040 2192 V CA 1.282 63.557 62.300 -0.042 0.000 1.149 2192 V CB 1.123 32.899 31.823 -0.078 0.000 0.914 2192 V HN 0.412 nan 8.190 nan 0.000 0.487 2193 M N 3.152 122.689 119.600 -0.106 0.000 2.248 2193 M HA 0.092 4.571 4.480 -0.000 0.000 0.265 2193 M C 0.701 176.901 176.300 -0.167 0.000 1.079 2193 M CA 1.181 56.406 55.300 -0.124 0.000 1.150 2193 M CB 0.012 32.560 32.600 -0.087 0.000 1.366 2193 M HN 0.967 nan 8.290 nan 0.000 0.433 2194 N N -1.789 116.791 118.700 -0.201 0.000 3.046 2194 N HA 0.146 4.886 4.740 -0.000 0.000 0.243 2194 N C -1.994 173.350 175.510 -0.277 0.000 1.452 2194 N CA -0.661 52.268 53.050 -0.202 0.000 0.882 2194 N CB 1.105 39.535 38.487 -0.095 0.000 1.425 2194 N HN -0.088 nan 8.380 nan 0.000 0.517 2195 Y N -0.002 120.249 120.300 -0.083 0.000 2.330 2195 Y HA 0.444 4.994 4.550 -0.000 0.000 0.336 2195 Y C 0.441 176.285 175.900 -0.094 0.000 1.036 2195 Y CA -0.156 57.880 58.100 -0.107 0.000 1.125 2195 Y CB 1.378 39.752 38.460 -0.143 0.000 1.194 2195 Y HN 0.743 nan 8.280 nan 0.000 0.469 2196 E N 0.250 120.504 120.200 0.090 0.000 2.446 2196 E HA 0.562 4.912 4.350 -0.000 0.000 0.269 2196 E C -0.970 175.652 176.600 0.037 0.000 0.977 2196 E CA -0.779 55.651 56.400 0.050 0.000 0.854 2196 E CB 1.274 30.991 29.700 0.029 0.000 1.545 2196 E HN 0.487 nan 8.360 nan 0.000 0.448 2197 M N -0.437 119.182 119.600 0.031 0.000 2.340 2197 M HA 0.317 4.797 4.480 -0.000 0.000 0.345 2197 M C -0.220 176.089 176.300 0.015 0.000 1.008 2197 M CA 0.223 55.536 55.300 0.022 0.000 0.987 2197 M CB 0.658 33.279 32.600 0.035 0.000 1.598 2197 M HN 0.541 nan 8.290 nan 0.000 0.569 2198 E N -0.996 119.210 120.200 0.011 0.000 2.603 2198 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 2198 E C 1.717 178.312 176.600 -0.009 0.000 0.896 2198 E CA 0.396 56.798 56.400 0.003 0.000 1.224 2198 E CB 0.476 30.182 29.700 0.009 0.000 1.206 2198 E HN 0.298 nan 8.360 nan 0.000 0.576 2199 S N 0.685 116.380 115.700 -0.008 0.000 2.371 2199 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 2199 S C 2.263 176.851 174.600 -0.020 0.000 1.029 2199 S CA 0.821 59.012 58.200 -0.015 0.000 0.978 2199 S CB -0.296 62.897 63.200 -0.012 0.000 0.833 2199 S HN 0.208 nan 8.310 nan 0.000 0.466 2200 A N 1.828 124.641 122.820 -0.012 0.000 1.948 2200 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 2200 A C 2.399 179.980 177.584 -0.005 0.000 1.177 2200 A CA 2.260 54.296 52.037 -0.001 0.000 0.636 2200 A CB -1.675 17.331 19.000 0.011 0.000 0.815 2200 A HN 0.596 nan 8.150 nan 0.000 0.449 2201 T N -0.222 114.321 114.554 -0.020 0.000 2.770 2201 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 2201 T C 1.872 176.477 174.700 -0.157 0.000 1.039 2201 T CA 1.380 63.449 62.100 -0.051 0.000 1.142 2201 T CB -0.380 68.471 68.868 -0.027 0.000 0.868 2201 T HN 0.351 nan 8.240 nan 0.000 0.435 2202 L N 0.899 122.038 121.223 -0.139 0.000 2.017 2202 L HA -0.024 4.315 4.340 -0.000 0.000 0.208 2202 L C 2.034 178.799 176.870 -0.176 0.000 1.073 2202 L CA 1.608 56.331 54.840 -0.195 0.000 0.745 2202 L CB -0.751 41.233 42.059 -0.125 0.000 0.894 2202 L HN 0.089 nan 8.230 nan 0.000 0.432 2203 L N -0.580 120.591 121.223 -0.086 0.000 2.017 2203 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 2203 L C 2.530 179.387 176.870 -0.021 0.000 1.073 2203 L CA 2.302 57.123 54.840 -0.032 0.000 0.745 2203 L CB -1.713 40.350 42.059 0.007 0.000 0.894 2203 L HN 0.322 nan 8.230 nan 0.000 0.432 2204 T N 0.121 114.659 114.554 -0.027 0.000 2.708 2204 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 2204 T C 1.815 176.410 174.700 -0.176 0.000 1.037 2204 T CA 1.919 64.019 62.100 0.000 0.000 1.146 2204 T CB -0.310 68.585 68.868 0.045 0.000 0.865 2204 T HN 0.481 nan 8.240 nan 0.000 0.435 2205 M N 0.164 119.519 119.600 -0.408 0.000 2.229 2205 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 2205 M C 2.224 178.260 176.300 -0.441 0.000 1.063 2205 M CA 1.439 56.270 55.300 -0.783 0.000 1.114 2205 M CB -1.029 30.583 32.600 -1.646 0.000 1.387 2205 M HN 0.178 nan 8.290 nan 0.000 0.420 2206 C N 1.330 120.453 119.300 -0.295 0.000 2.500 2206 C HA 0.193 4.653 4.460 -0.000 0.000 0.279 2206 C C 3.231 178.200 174.990 -0.034 0.000 1.288 2206 C CA 1.005 59.931 59.018 -0.152 0.000 1.710 2206 C CB -1.029 26.647 27.740 -0.107 0.000 2.052 2206 C HN 0.757 nan 8.230 nan 0.000 0.488 2207 A N 0.833 123.667 122.820 0.022 0.000 2.121 2207 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 2207 A C 2.068 179.759 177.584 0.177 0.000 1.154 2207 A CA 1.919 54.047 52.037 0.152 0.000 0.679 2207 A CB -0.463 18.700 19.000 0.272 0.000 0.795 2207 A HN 0.712 nan 8.150 nan 0.000 0.458 2208 S N -2.241 113.437 115.700 -0.037 0.000 2.540 2208 S HA 0.205 4.675 4.470 -0.000 0.000 0.218 2208 S C 0.969 175.526 174.600 -0.072 0.000 0.977 2208 S CA 0.113 58.199 58.200 -0.190 0.000 0.918 2208 S CB 0.176 63.036 63.200 -0.567 0.000 0.806 2208 S HN 0.596 nan 8.310 nan 0.000 0.496 2209 Q N 0.338 120.120 119.800 -0.030 0.000 2.118 2209 Q HA 0.363 4.703 4.340 -0.000 0.000 0.219 2209 Q C 0.643 176.661 176.000 0.029 0.000 0.794 2209 Q CA 0.138 55.942 55.803 0.000 0.000 1.035 2209 Q CB 1.164 29.895 28.738 -0.012 0.000 1.177 2209 Q HN 0.652 nan 8.270 nan 0.000 0.478 2210 G N 1.396 110.223 108.800 0.045 0.000 2.160 2210 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 2210 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 2210 G C -0.200 174.743 174.900 0.071 0.000 1.022 2210 G CA 0.050 45.186 45.100 0.060 0.000 0.741 2210 G HN 0.236 nan 8.290 nan 0.000 0.508 2211 L N -0.119 121.149 121.223 0.076 0.000 2.325 2211 L HA 0.622 4.962 4.340 -0.000 0.000 0.278 2211 L C 0.985 177.931 176.870 0.127 0.000 1.023 2211 L CA -1.124 53.791 54.840 0.125 0.000 0.811 2211 L CB 1.335 43.493 42.059 0.166 0.000 1.249 2211 L HN 0.065 nan 8.230 nan 0.000 0.431 2212 R N 2.023 122.610 120.500 0.145 0.000 2.357 2212 R HA 0.747 5.086 4.340 -0.000 0.000 0.296 2212 R C -0.579 175.820 176.300 0.165 0.000 1.052 2212 R CA -0.417 55.757 56.100 0.123 0.000 0.988 2212 R CB 1.389 31.739 30.300 0.084 0.000 1.025 2212 R HN 0.721 nan 8.270 nan 0.000 0.469 2213 A N 1.277 124.168 122.820 0.119 0.000 2.498 2213 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 2213 A C -0.793 176.835 177.584 0.073 0.000 1.075 2213 A CA -0.596 51.511 52.037 0.117 0.000 0.714 2213 A CB 2.366 21.409 19.000 0.071 0.000 1.299 2213 A HN 0.765 nan 8.150 nan 0.000 0.407 2214 G N -0.250 108.589 108.800 0.065 0.000 2.677 2214 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 2214 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 2214 G C -1.428 173.492 174.900 0.033 0.000 1.435 2214 G CA -0.418 44.703 45.100 0.037 0.000 0.826 2214 G HN 0.901 nan 8.290 nan 0.000 0.491 2215 M N 1.473 121.085 119.600 0.020 0.000 2.324 2215 M HA 0.621 5.100 4.480 -0.000 0.000 0.288 2215 M C -1.716 174.590 176.300 0.011 0.000 1.097 2215 M CA -0.883 54.427 55.300 0.018 0.000 0.928 2215 M CB 2.268 34.877 32.600 0.014 0.000 1.648 2215 M HN 0.566 nan 8.290 nan 0.000 0.460 2216 V N 3.924 123.845 119.914 0.013 0.000 2.769 2216 V HA 1.021 5.141 4.120 -0.000 0.000 0.312 2216 V C -1.367 174.736 176.094 0.015 0.000 1.061 2216 V CA -0.173 62.133 62.300 0.011 0.000 0.931 2216 V CB 1.918 33.745 31.823 0.007 0.000 1.010 2216 V HN 0.979 nan 8.190 nan 0.000 0.433 2217 A N 3.878 126.709 122.820 0.018 0.000 2.488 2217 A HA 0.819 5.139 4.320 -0.000 0.000 0.295 2217 A C -0.231 177.369 177.584 0.027 0.000 1.045 2217 A CA -0.055 51.994 52.037 0.020 0.000 0.703 2217 A CB 1.560 20.570 19.000 0.017 0.000 1.271 2217 A HN 1.506 nan 8.150 nan 0.000 0.400 2218 G N 0.473 109.290 108.800 0.029 0.000 2.372 2218 G HA2 0.511 4.471 3.960 -0.000 0.000 0.283 2218 G HA3 0.511 4.471 3.960 -0.000 0.000 0.283 2218 G C -0.331 174.587 174.900 0.031 0.000 1.177 2218 G CA -0.315 44.806 45.100 0.036 0.000 0.842 2218 G HN 0.946 nan 8.290 nan 0.000 0.503 2219 V N 4.033 123.968 119.914 0.035 0.000 2.427 2219 V HA 0.077 4.197 4.120 -0.000 0.000 0.268 2219 V C 1.418 177.527 176.094 0.024 0.000 1.046 2219 V CA 0.007 62.322 62.300 0.025 0.000 0.970 2219 V CB 0.442 32.278 31.823 0.022 0.000 1.001 2219 V HN 0.750 nan 8.190 nan 0.000 0.476 2220 I N 4.581 125.164 120.570 0.022 0.000 2.556 2220 I HA 0.231 4.401 4.170 -0.000 0.000 0.251 2220 I C 0.655 176.785 176.117 0.020 0.000 1.105 2220 I CA 0.646 61.958 61.300 0.021 0.000 1.436 2220 I CB 0.145 38.159 38.000 0.024 0.000 1.139 2220 I HN 0.446 nan 8.210 nan 0.000 0.438 2221 V N -1.302 118.624 119.914 0.020 0.000 3.141 2221 V HA 0.591 4.711 4.120 -0.000 0.000 0.312 2221 V C -1.195 174.903 176.094 0.007 0.000 1.157 2221 V CA -0.758 61.553 62.300 0.018 0.000 1.041 2221 V CB 1.714 33.553 31.823 0.027 0.000 1.071 2221 V HN 0.377 nan 8.190 nan 0.000 0.441 2222 N N 1.006 119.709 118.700 0.005 0.000 2.399 2222 N HA 0.412 5.152 4.740 -0.000 0.000 0.284 2222 N C 0.456 175.970 175.510 0.007 0.000 1.025 2222 N CA -0.648 52.399 53.050 -0.006 0.000 0.885 2222 N CB 2.383 40.859 38.487 -0.018 0.000 1.339 2222 N HN 0.693 nan 8.380 nan 0.000 0.487 2223 R N 0.800 121.307 120.500 0.012 0.000 2.285 2223 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 2223 R C 1.127 177.445 176.300 0.030 0.000 1.068 2223 R CA 1.188 57.306 56.100 0.029 0.000 1.004 2223 R CB -0.218 30.114 30.300 0.054 0.000 0.873 2223 R HN 0.693 nan 8.270 nan 0.000 0.467 2224 T N -4.043 110.521 114.554 0.017 0.000 2.971 2224 T HA 0.169 4.518 4.350 -0.000 0.000 0.252 2224 T C 0.837 175.546 174.700 0.016 0.000 1.022 2224 T CA -0.241 61.870 62.100 0.019 0.000 0.980 2224 T CB 0.607 69.483 68.868 0.014 0.000 1.044 2224 T HN 0.011 nan 8.240 nan 0.000 0.501 2225 Q N 0.978 120.785 119.800 0.011 0.000 2.230 2225 Q HA 0.396 4.736 4.340 -0.000 0.000 0.248 2225 Q C 0.822 176.832 176.000 0.016 0.000 0.915 2225 Q CA -0.487 55.323 55.803 0.012 0.000 0.900 2225 Q CB 1.857 30.599 28.738 0.007 0.000 1.229 2225 Q HN 0.162 nan 8.270 nan 0.000 0.439 2226 Q N 1.582 121.392 119.800 0.017 0.000 2.123 2226 Q HA -0.045 4.295 4.340 -0.000 0.000 0.196 2226 Q C -0.399 175.611 176.000 0.017 0.000 0.958 2226 Q CA 1.055 56.868 55.803 0.018 0.000 0.841 2226 Q CB 0.458 29.206 28.738 0.016 0.000 0.915 2226 Q HN 0.543 nan 8.270 nan 0.000 0.455 2227 E N 0.767 120.976 120.200 0.016 0.000 2.465 2227 E HA 0.086 4.436 4.350 -0.000 0.000 0.260 2227 E C -0.503 176.107 176.600 0.016 0.000 0.980 2227 E CA -0.079 56.330 56.400 0.016 0.000 0.927 2227 E CB 0.362 30.071 29.700 0.015 0.000 0.934 2227 E HN 0.338 nan 8.360 nan 0.000 0.459 2228 I N 1.296 121.876 120.570 0.016 0.000 2.440 2228 I HA 0.329 4.499 4.170 -0.000 0.000 0.294 2228 I C -2.167 173.960 176.117 0.015 0.000 0.995 2228 I CA -2.508 58.803 61.300 0.017 0.000 1.306 2228 I CB -0.257 37.754 38.000 0.017 0.000 1.407 2228 I HN 0.229 nan 8.210 nan 0.000 0.501 2229 P HA 0.076 nan 4.420 nan 0.000 0.266 2229 P C -0.254 177.052 177.300 0.010 0.000 1.193 2229 P CA -0.209 62.899 63.100 0.013 0.000 0.770 2229 P CB 0.217 31.925 31.700 0.014 0.000 0.836 2230 N N 1.187 119.892 118.700 0.009 0.000 2.292 2230 N HA 0.003 4.743 4.740 -0.000 0.000 0.278 2230 N C 1.143 176.655 175.510 0.003 0.000 1.289 2230 N CA 0.054 53.108 53.050 0.006 0.000 0.934 2230 N CB -0.075 38.415 38.487 0.006 0.000 1.069 2230 N HN 0.312 nan 8.380 nan 0.000 0.513 2231 A N -0.695 122.125 122.820 0.001 0.000 1.971 2231 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 2231 A C 0.606 178.187 177.584 -0.005 0.000 1.182 2231 A CA 2.189 54.225 52.037 -0.001 0.000 0.649 2231 A CB -0.934 18.064 19.000 -0.003 0.000 0.818 2231 A HN 0.891 nan 8.150 nan 0.000 0.458 2232 E N -3.593 116.603 120.200 -0.007 0.000 2.336 2232 E HA 0.670 5.020 4.350 -0.000 0.000 0.267 2232 E C 0.092 176.687 176.600 -0.007 0.000 0.906 2232 E CA -0.210 56.184 56.400 -0.010 0.000 0.781 2232 E CB 1.043 30.731 29.700 -0.019 0.000 1.261 2232 E HN -0.041 nan 8.360 nan 0.000 0.436 2233 T N 0.018 114.567 114.554 -0.008 0.000 3.348 2233 T HA 0.217 4.567 4.350 -0.000 0.000 0.233 2233 T C 0.883 175.578 174.700 -0.008 0.000 0.960 2233 T CA 0.080 62.179 62.100 -0.002 0.000 1.343 2233 T CB -0.173 68.697 68.868 0.003 0.000 1.068 2233 T HN 0.367 nan 8.240 nan 0.000 0.410 2237 T N -0.888 113.608 114.554 -0.096 0.000 2.942 2237 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 2237 T C 1.489 176.180 174.700 -0.015 0.000 1.062 2237 T CA 1.569 63.668 62.100 -0.002 0.000 1.139 2237 T CB -0.080 68.814 68.868 0.043 0.000 0.883 2237 T HN 0.314 nan 8.240 nan 0.000 0.468 2238 E N 2.413 122.585 120.200 -0.046 0.000 2.049 2238 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 2238 E C 2.318 178.891 176.600 -0.045 0.000 1.007 2238 E CA 2.154 58.532 56.400 -0.037 0.000 0.809 2238 E CB -0.584 29.088 29.700 -0.046 0.000 0.749 2238 E HN 0.745 nan 8.360 nan 0.000 0.450 2239 S N -1.389 114.250 115.700 -0.100 0.000 2.453 2239 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 2239 S C 1.813 176.397 174.600 -0.027 0.000 1.005 2239 S CA 1.095 59.239 58.200 -0.093 0.000 0.949 2239 S CB -0.615 62.502 63.200 -0.139 0.000 0.774 2239 S HN 0.462 nan 8.310 nan 0.000 0.510 2240 H N 1.430 120.490 119.070 -0.017 0.000 2.326 2240 H HA 0.182 4.738 4.556 -0.000 0.000 0.301 2240 H C 2.619 177.938 175.328 -0.016 0.000 1.081 2240 H CA 0.929 56.968 56.048 -0.016 0.000 1.334 2240 H CB -0.217 29.537 29.762 -0.013 0.000 1.385 2240 H HN 0.574 nan 8.280 nan 0.000 0.504 2241 A N 0.559 123.449 122.820 0.116 0.000 1.972 2241 A HA -0.123 4.196 4.320 -0.000 0.000 0.219 2241 A C 2.508 180.111 177.584 0.031 0.000 1.169 2241 A CA 1.343 53.413 52.037 0.056 0.000 0.635 2241 A CB -0.633 18.391 19.000 0.039 0.000 0.810 2241 A HN 0.212 nan 8.150 nan 0.000 0.446 2242 V N -0.131 119.796 119.914 0.022 0.000 2.358 2242 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 2242 V C 2.478 178.577 176.094 0.008 0.000 1.047 2242 V CA 2.282 64.584 62.300 0.003 0.000 1.035 2242 V CB -0.580 31.232 31.823 -0.018 0.000 0.658 2242 V HN 0.646 nan 8.190 nan 0.000 0.452 2243 K N -0.021 120.395 120.400 0.027 0.000 2.057 2243 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 2243 K C 2.067 178.677 176.600 0.016 0.000 1.050 2243 K CA 1.433 57.737 56.287 0.028 0.000 0.935 2243 K CB -0.211 32.326 32.500 0.061 0.000 0.715 2243 K HN 0.389 nan 8.250 nan 0.000 0.439 2244 I N 0.068 120.649 120.570 0.019 0.000 2.179 2244 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 2244 I C 2.228 178.342 176.117 -0.005 0.000 1.088 2244 I CA 0.940 62.240 61.300 0.000 0.000 1.357 2244 I CB -0.154 37.846 38.000 -0.001 0.000 1.051 2244 I HN 0.060 nan 8.210 nan 0.000 0.409 2245 V N 0.141 120.055 119.914 0.001 0.000 2.548 2245 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 2245 V C 2.282 178.372 176.094 -0.006 0.000 1.055 2245 V CA 1.429 63.728 62.300 -0.002 0.000 1.065 2245 V CB 0.262 32.087 31.823 0.004 0.000 0.681 2245 V HN 0.205 nan 8.190 nan 0.000 0.462 2246 V N -0.084 119.827 119.914 -0.005 0.000 2.379 2246 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 2246 V C 2.506 178.594 176.094 -0.010 0.000 1.044 2246 V CA 2.166 64.462 62.300 -0.008 0.000 1.036 2246 V CB -0.524 31.294 31.823 -0.007 0.000 0.664 2246 V HN 0.616 nan 8.190 nan 0.000 0.453 2247 E N 0.654 120.848 120.200 -0.010 0.000 2.150 2247 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 2247 E C 2.107 178.695 176.600 -0.020 0.000 0.985 2247 E CA 1.422 57.813 56.400 -0.014 0.000 0.814 2247 E CB -0.387 29.304 29.700 -0.015 0.000 0.752 2247 E HN 0.517 nan 8.360 nan 0.000 0.466 2248 A N 0.628 123.435 122.820 -0.022 0.000 1.930 2248 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 2248 A C 2.412 179.980 177.584 -0.026 0.000 1.175 2248 A CA 1.721 53.742 52.037 -0.028 0.000 0.627 2248 A CB -0.889 18.094 19.000 -0.028 0.000 0.815 2248 A HN 0.351 nan 8.150 nan 0.000 0.443 2249 A N 0.120 122.928 122.820 -0.021 0.000 1.908 2249 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 2249 A C 2.204 179.775 177.584 -0.022 0.000 1.181 2249 A CA 1.699 53.723 52.037 -0.022 0.000 0.627 2249 A CB -0.521 18.468 19.000 -0.019 0.000 0.818 2249 A HN 0.566 nan 8.150 nan 0.000 0.445 2250 R N -0.589 119.900 120.500 -0.019 0.000 2.096 2250 R HA -0.172 4.168 4.340 -0.000 0.000 0.240 2250 R C 2.157 178.446 176.300 -0.019 0.000 1.139 2250 R CA 1.919 58.009 56.100 -0.017 0.000 0.952 2250 R CB -0.320 29.971 30.300 -0.015 0.000 0.854 2250 R HN 0.548 nan 8.270 nan 0.000 0.436 2251 R N 0.223 120.709 120.500 -0.023 0.000 2.307 2251 R HA 0.023 4.363 4.340 -0.000 0.000 0.199 2251 R C 1.328 177.613 176.300 -0.025 0.000 1.000 2251 R CA 0.586 56.670 56.100 -0.026 0.000 1.023 2251 R CB 0.108 30.387 30.300 -0.034 0.000 0.908 2251 R HN 0.222 nan 8.270 nan 0.000 0.473 2252 L N 0.084 121.292 121.223 -0.025 0.000 2.766 2252 L HA 0.249 4.589 4.340 -0.000 0.000 0.242 2252 L C 0.323 177.180 176.870 -0.021 0.000 1.136 2252 L CA -0.204 54.622 54.840 -0.024 0.000 0.933 2252 L CB 0.278 42.321 42.059 -0.027 0.000 1.241 2252 L HN 0.037 nan 8.230 nan 0.000 0.522 2253 L N 0.000 121.211 121.223 -0.020 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 2253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502