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 1zl2_1_C DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQXXXXXXX XMKQTESHAV KIVVEAARRL DATA SEQUENCE L 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.591 176.600 -0.015 0.000 0.988 2003 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 2003 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 2004 S N 0.986 116.669 115.700 -0.029 0.000 2.558 2004 S HA -0.019 4.450 4.470 -0.000 0.000 0.291 2004 S C 0.571 175.163 174.600 -0.012 0.000 1.306 2004 S CA 0.347 58.530 58.200 -0.029 0.000 1.056 2004 S CB 0.532 63.687 63.200 -0.075 0.000 0.836 2004 S HN 0.238 nan 8.310 nan 0.000 0.504 2005 D N 1.660 122.062 120.400 0.002 0.000 2.354 2005 D HA 0.103 4.743 4.640 -0.000 0.000 0.209 2005 D C 0.582 176.902 176.300 0.033 0.000 1.015 2005 D CA 0.570 54.580 54.000 0.017 0.000 0.867 2005 D CB 0.173 40.983 40.800 0.018 0.000 0.933 2005 D HN 0.439 nan 8.370 nan 0.000 0.520 2006 V N -2.495 117.437 119.914 0.030 0.000 2.960 2006 V HA 0.379 4.499 4.120 -0.000 0.000 0.315 2006 V C 0.878 177.014 176.094 0.070 0.000 1.087 2006 V CA -0.993 61.347 62.300 0.067 0.000 0.982 2006 V CB 1.744 33.601 31.823 0.058 0.000 1.039 2006 V HN -0.188 nan 8.190 nan 0.000 0.437 2007 F N 1.108 121.030 119.950 -0.047 0.000 2.186 2007 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 2007 F C 1.881 177.495 175.800 -0.310 0.000 1.090 2007 F CA 2.450 60.346 58.000 -0.172 0.000 1.307 2007 F CB -0.017 38.861 39.000 -0.203 0.000 1.019 2007 F HN 0.840 nan 8.300 nan 0.000 0.489 2008 H N -1.758 117.282 119.070 -0.050 0.000 2.594 2008 H HA 0.250 4.806 4.556 -0.000 0.000 0.274 2008 H C 1.987 177.257 175.328 -0.097 0.000 0.982 2008 H CA 0.752 56.735 56.048 -0.107 0.000 1.228 2008 H CB -0.263 29.481 29.762 -0.031 0.000 1.447 2008 H HN 0.087 nan 8.280 nan 0.000 0.485 2009 L N 0.089 121.314 121.223 0.002 0.000 2.376 2009 L HA 0.108 4.448 4.340 -0.000 0.000 0.219 2009 L C 1.056 178.000 176.870 0.123 0.000 1.133 2009 L CA 0.693 55.569 54.840 0.059 0.000 0.816 2009 L CB -0.436 41.618 42.059 -0.008 0.000 0.933 2009 L HN 0.529 nan 8.230 nan 0.000 0.449 2010 G N 1.387 110.147 108.800 -0.065 0.000 2.323 2010 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.292 2010 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.292 2010 G C -0.199 174.732 174.900 0.052 0.000 1.040 2010 G CA 0.180 45.224 45.100 -0.094 0.000 0.942 2010 G HN 0.266 nan 8.290 nan 0.000 0.506 2011 L N -0.395 120.845 121.223 0.029 0.000 2.333 2011 L HA 0.854 5.194 4.340 -0.000 0.000 0.263 2011 L C 0.665 177.545 176.870 0.016 0.000 1.014 2011 L CA -0.617 54.243 54.840 0.033 0.000 0.820 2011 L CB 2.503 44.588 42.059 0.043 0.000 1.352 2011 L HN 0.365 nan 8.230 nan 0.000 0.421 2012 T N -3.337 111.225 114.554 0.013 0.000 2.932 2012 T HA 0.316 4.666 4.350 -0.000 0.000 0.289 2012 T C 0.563 175.268 174.700 0.009 0.000 1.039 2012 T CA -0.840 61.266 62.100 0.009 0.000 1.024 2012 T CB 2.209 71.079 68.868 0.004 0.000 1.090 2012 T HN 0.608 nan 8.240 nan 0.000 0.496 2013 K N 0.584 120.990 120.400 0.009 0.000 2.103 2013 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 2013 K C 2.047 178.649 176.600 0.003 0.000 1.048 2013 K CA 1.713 58.005 56.287 0.008 0.000 0.930 2013 K CB -0.294 32.211 32.500 0.008 0.000 0.716 2013 K HN 0.679 nan 8.250 nan 0.000 0.444 2014 N N 1.125 119.826 118.700 0.001 0.000 2.205 2014 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 2014 N C 1.085 176.593 175.510 -0.005 0.000 1.015 2014 N CA 1.735 54.784 53.050 -0.002 0.000 0.862 2014 N CB -0.074 38.411 38.487 -0.003 0.000 0.986 2014 N HN 0.173 nan 8.380 nan 0.000 0.429 2015 D N -0.316 120.082 120.400 -0.004 0.000 2.178 2015 D HA -0.110 4.529 4.640 -0.000 0.000 0.201 2015 D C 1.599 177.896 176.300 -0.005 0.000 0.980 2015 D CA 0.667 54.663 54.000 -0.007 0.000 0.842 2015 D CB -0.176 40.622 40.800 -0.002 0.000 0.948 2015 D HN 0.269 nan 8.370 nan 0.000 0.472 2016 L N 0.538 121.760 121.223 -0.001 0.000 2.291 2016 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 2016 L C 0.791 177.658 176.870 -0.005 0.000 1.120 2016 L CA 0.692 55.531 54.840 -0.002 0.000 0.799 2016 L CB -0.401 41.655 42.059 -0.005 0.000 0.925 2016 L HN 0.001 nan 8.230 nan 0.000 0.446 2017 Q N -0.294 119.503 119.800 -0.005 0.000 2.475 2017 Q HA -0.273 4.067 4.340 -0.000 0.000 0.280 2017 Q C 1.215 177.211 176.000 -0.007 0.000 1.234 2017 Q CA 0.879 56.678 55.803 -0.006 0.000 0.873 2017 Q CB -2.274 26.462 28.738 -0.005 0.000 1.256 2017 Q HN 0.675 nan 8.270 nan 0.000 0.475 2018 G N -1.793 107.002 108.800 -0.008 0.000 2.179 2018 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 2018 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 2018 G C 0.364 175.253 174.900 -0.018 0.000 0.977 2018 G CA 0.424 45.517 45.100 -0.011 0.000 0.641 2018 G HN 1.248 nan 8.290 nan 0.000 0.533 2019 A N -0.294 122.513 122.820 -0.021 0.000 2.540 2019 A HA 0.551 4.871 4.320 -0.000 0.000 0.239 2019 A C 1.088 178.639 177.584 -0.055 0.000 1.061 2019 A CA 1.410 53.426 52.037 -0.034 0.000 0.758 2019 A CB 0.196 19.177 19.000 -0.031 0.000 0.991 2019 A HN 0.596 nan 8.150 nan 0.000 0.502 2020 Q N 0.941 120.698 119.800 -0.072 0.000 2.185 2020 Q HA 0.318 4.657 4.340 -0.000 0.000 0.234 2020 Q C -0.384 175.516 176.000 -0.166 0.000 0.819 2020 Q CA -0.026 55.718 55.803 -0.098 0.000 0.961 2020 Q CB 0.741 29.441 28.738 -0.063 0.000 1.140 2020 Q HN 0.734 nan 8.270 nan 0.000 0.492 2021 L N 0.556 121.684 121.223 -0.158 0.000 2.362 2021 L HA 0.843 5.183 4.340 -0.000 0.000 0.271 2021 L C -1.778 174.970 176.870 -0.205 0.000 1.002 2021 L CA -0.691 54.028 54.840 -0.202 0.000 0.818 2021 L CB 1.830 43.819 42.059 -0.117 0.000 1.298 2021 L HN -0.072 nan 8.230 nan 0.000 0.420 2022 A N 5.446 128.100 122.820 -0.276 0.000 2.398 2022 A HA 0.655 4.975 4.320 -0.000 0.000 0.301 2022 A C -1.133 176.416 177.584 -0.058 0.000 1.041 2022 A CA -0.490 51.448 52.037 -0.165 0.000 0.711 2022 A CB 1.155 20.029 19.000 -0.210 0.000 1.240 2022 A HN 0.655 nan 8.150 nan 0.000 0.420 2023 I N 2.691 123.261 120.570 0.000 0.000 2.342 2023 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 2023 I C -0.143 176.015 176.117 0.068 0.000 1.010 2023 I CA -0.612 60.707 61.300 0.031 0.000 1.308 2023 I CB 1.729 39.739 38.000 0.016 0.000 1.400 2023 I HN 0.479 nan 8.210 nan 0.000 0.488 2024 V N 5.916 125.888 119.914 0.096 0.000 2.276 2024 V HA 0.500 4.620 4.120 -0.000 0.000 0.268 2024 V C -2.508 173.635 176.094 0.081 0.000 1.032 2024 V CA -1.844 60.525 62.300 0.115 0.000 0.810 2024 V CB 0.392 32.319 31.823 0.174 0.000 1.060 2024 V HN 0.468 nan 8.190 nan 0.000 0.446 2025 P HA 0.323 nan 4.420 nan 0.000 0.276 2025 P C 0.899 178.226 177.300 0.045 0.000 1.261 2025 P CA 0.232 63.355 63.100 0.038 0.000 0.800 2025 P CB 1.915 33.625 31.700 0.016 0.000 1.066 2026 G N -0.414 108.402 108.800 0.027 0.000 2.411 2026 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.213 2026 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.213 2026 G C 0.361 175.264 174.900 0.006 0.000 1.166 2026 G CA 0.415 45.528 45.100 0.022 0.000 0.802 2026 G HN 0.493 nan 8.290 nan 0.000 0.533 2027 D N 0.388 120.786 120.400 -0.004 0.000 2.277 2027 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 2027 D C -1.465 174.828 176.300 -0.011 0.000 1.134 2027 D CA -2.136 51.853 54.000 -0.018 0.000 0.863 2027 D CB 2.094 42.879 40.800 -0.025 0.000 1.143 2027 D HN -0.075 nan 8.370 nan 0.000 0.458 2028 P HA -0.102 nan 4.420 nan 0.000 0.216 2028 P C 0.813 178.110 177.300 -0.005 0.000 1.150 2028 P CA 0.918 64.024 63.100 0.010 0.000 0.837 2028 P CB 0.328 32.030 31.700 0.003 0.000 0.786 2029 E N -0.784 119.403 120.200 -0.023 0.000 2.409 2029 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 2029 E C 1.656 178.215 176.600 -0.069 0.000 1.024 2029 E CA 0.674 57.051 56.400 -0.038 0.000 0.861 2029 E CB -0.133 29.546 29.700 -0.034 0.000 0.788 2029 E HN 0.268 nan 8.360 nan 0.000 0.521 2030 R N 0.235 120.696 120.500 -0.065 0.000 2.280 2030 R HA 0.066 4.406 4.340 -0.000 0.000 0.195 2030 R C 2.244 178.469 176.300 -0.124 0.000 0.935 2030 R CA 0.139 56.189 56.100 -0.082 0.000 1.033 2030 R CB -0.276 29.993 30.300 -0.051 0.000 0.964 2030 R HN 0.046 nan 8.270 nan 0.000 0.489 2031 V N 1.339 121.176 119.914 -0.128 0.000 2.287 2031 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 2031 V C 2.442 178.268 176.094 -0.446 0.000 1.053 2031 V CA 2.129 64.322 62.300 -0.180 0.000 1.027 2031 V CB -0.420 31.366 31.823 -0.061 0.000 0.646 2031 V HN 0.360 nan 8.190 nan 0.000 0.447 2032 E N 0.173 119.955 120.200 -0.697 0.000 2.077 2032 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 2032 E C 2.287 178.515 176.600 -0.621 0.000 0.989 2032 E CA 1.343 57.053 56.400 -1.149 0.000 0.800 2032 E CB -0.071 29.003 29.700 -1.043 0.000 0.746 2032 E HN 0.554 nan 8.360 nan 0.000 0.452 2033 K N 0.142 120.325 120.400 -0.361 0.000 2.103 2033 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 2033 K C 2.170 178.663 176.600 -0.179 0.000 1.048 2033 K CA 1.380 57.535 56.287 -0.221 0.000 0.930 2033 K CB -0.088 32.324 32.500 -0.146 0.000 0.716 2033 K HN 0.272 nan 8.250 nan 0.000 0.444 2034 I N 0.573 121.037 120.570 -0.178 0.000 2.193 2034 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 2034 I C 2.479 178.529 176.117 -0.112 0.000 1.084 2034 I CA 0.975 62.207 61.300 -0.114 0.000 1.365 2034 I CB -0.394 37.557 38.000 -0.083 0.000 1.064 2034 I HN 0.104 nan 8.210 nan 0.000 0.410 2035 A N 0.863 123.586 122.820 -0.162 0.000 1.978 2035 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 2035 A C 2.454 179.991 177.584 -0.078 0.000 1.170 2035 A CA 1.741 53.725 52.037 -0.088 0.000 0.636 2035 A CB -0.772 18.193 19.000 -0.058 0.000 0.810 2035 A HN 0.455 nan 8.150 nan 0.000 0.448 2036 A N -0.472 122.250 122.820 -0.163 0.000 2.125 2036 A HA 0.053 4.372 4.320 -0.000 0.000 0.219 2036 A C 1.890 179.444 177.584 -0.050 0.000 1.156 2036 A CA 1.182 53.157 52.037 -0.104 0.000 0.671 2036 A CB -0.497 18.415 19.000 -0.147 0.000 0.794 2036 A HN 0.501 nan 8.150 nan 0.000 0.459 2037 L N -1.501 119.693 121.223 -0.049 0.000 2.492 2037 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 2037 L C 0.987 177.850 176.870 -0.012 0.000 1.132 2037 L CA 0.093 54.916 54.840 -0.028 0.000 0.850 2037 L CB -0.337 41.705 42.059 -0.029 0.000 0.966 2037 L HN 0.428 nan 8.230 nan 0.000 0.454 2038 M N -1.436 118.162 119.600 -0.003 0.000 2.849 2038 M HA 0.303 4.782 4.480 -0.000 0.000 0.299 2038 M C -0.585 175.730 176.300 0.025 0.000 1.223 2038 M CA -0.855 54.452 55.300 0.011 0.000 0.856 2038 M CB 1.312 33.921 32.600 0.016 0.000 1.680 2038 M HN -0.163 nan 8.290 nan 0.000 0.506 2039 D N 1.042 121.457 120.400 0.026 0.000 2.313 2039 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 2039 D C -0.421 175.908 176.300 0.049 0.000 1.094 2039 D CA -0.041 53.978 54.000 0.032 0.000 0.925 2039 D CB 0.560 41.373 40.800 0.021 0.000 1.188 2039 D HN 0.445 nan 8.370 nan 0.000 0.430 2040 K N -0.214 120.217 120.400 0.051 0.000 3.540 2040 K HA -0.146 4.174 4.320 -0.000 0.000 0.274 2040 K C -2.273 174.385 176.600 0.096 0.000 0.890 2040 K CA 0.127 56.449 56.287 0.060 0.000 0.701 2040 K CB -1.297 31.225 32.500 0.037 0.000 1.523 2040 K HN 0.365 nan 8.250 nan 0.000 0.450 2041 P HA 0.169 nan 4.420 nan 0.000 0.281 2041 P C -0.531 176.960 177.300 0.318 0.000 1.252 2041 P CA -0.217 63.064 63.100 0.301 0.000 0.778 2041 P CB 1.683 33.578 31.700 0.324 0.000 0.895 2042 V N 3.703 123.716 119.914 0.164 0.000 2.760 2042 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 2042 V C -0.305 175.316 176.094 -0.788 0.000 1.077 2042 V CA -1.141 60.991 62.300 -0.280 0.000 0.910 2042 V CB 2.166 33.892 31.823 -0.161 0.000 1.008 2042 V HN 0.503 nan 8.190 nan 0.000 0.424 2043 K N 4.855 124.345 120.400 -1.517 0.000 2.350 2043 K HA 0.348 4.668 4.320 -0.000 0.000 0.279 2043 K C 0.172 176.373 176.600 -0.666 0.000 1.027 2043 K CA -0.216 55.081 56.287 -1.651 0.000 0.969 2043 K CB 1.020 32.720 32.500 -1.333 0.000 0.954 2043 K HN 0.798 nan 8.250 nan 0.000 0.474 2044 L N 2.396 123.363 121.223 -0.427 0.000 2.356 2044 L HA 0.325 4.665 4.340 -0.000 0.000 0.193 2044 L C 0.556 177.352 176.870 -0.122 0.000 1.087 2044 L CA 0.221 54.949 54.840 -0.186 0.000 0.817 2044 L CB 0.222 42.239 42.059 -0.070 0.000 1.035 2044 L HN 0.768 nan 8.230 nan 0.000 0.482 2045 A N -1.135 121.634 122.820 -0.085 0.000 2.566 2045 A HA 0.617 4.937 4.320 -0.000 0.000 0.290 2045 A C -1.295 176.232 177.584 -0.096 0.000 1.071 2045 A CA -0.265 51.725 52.037 -0.078 0.000 0.658 2045 A CB 1.635 20.674 19.000 0.066 0.000 1.285 2045 A HN -0.116 nan 8.150 nan 0.000 0.427 2046 S N 0.387 115.893 115.700 -0.324 0.000 2.750 2046 S HA 0.664 5.134 4.470 -0.000 0.000 0.276 2046 S C -1.820 172.454 174.600 -0.544 0.000 1.165 2046 S CA -0.476 57.576 58.200 -0.246 0.000 1.047 2046 S CB 0.391 63.511 63.200 -0.134 0.000 1.056 2046 S HN 0.748 nan 8.310 nan 0.000 0.481 2047 H N 4.070 123.211 119.070 0.119 0.000 2.966 2047 H HA 0.521 5.077 4.556 -0.000 0.000 0.347 2047 H C 0.407 175.808 175.328 0.121 0.000 1.048 2047 H CA -0.596 55.523 56.048 0.118 0.000 1.295 2047 H CB 1.330 31.181 29.762 0.148 0.000 1.744 2047 H HN 0.668 nan 8.280 nan 0.000 0.513 2048 R N 0.832 121.408 120.500 0.127 0.000 3.815 2048 R HA -0.215 4.125 4.340 -0.000 0.000 0.470 2048 R C 1.066 177.250 176.300 -0.194 0.000 0.241 2048 R CA 1.518 57.594 56.100 -0.040 0.000 1.481 2048 R CB -0.949 29.318 30.300 -0.054 0.000 0.988 2048 R HN 0.866 nan 8.270 nan 0.000 0.570 2049 E N 2.047 121.936 120.200 -0.518 0.000 2.445 2049 E HA 0.046 4.396 4.350 -0.000 0.000 0.189 2049 E C 0.079 176.414 176.600 -0.441 0.000 1.069 2049 E CA 0.445 56.562 56.400 -0.471 0.000 0.871 2049 E CB -0.226 29.185 29.700 -0.482 0.000 0.991 2049 E HN 0.403 nan 8.360 nan 0.000 0.481 2050 F N 1.605 121.605 119.950 0.082 0.000 2.309 2050 F HA 0.289 4.816 4.527 -0.000 0.000 0.366 2050 F C 0.218 176.075 175.800 0.095 0.000 1.104 2050 F CA -0.713 57.345 58.000 0.097 0.000 1.179 2050 F CB 1.214 40.291 39.000 0.128 0.000 1.437 2050 F HN -0.312 nan 8.300 nan 0.000 0.528 2051 T N 1.898 116.584 114.554 0.221 0.000 2.767 2051 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 2051 T C -0.175 174.674 174.700 0.247 0.000 0.973 2051 T CA -0.716 61.501 62.100 0.194 0.000 0.996 2051 T CB 1.105 70.071 68.868 0.164 0.000 0.927 2051 T HN 0.525 nan 8.240 nan 0.000 0.456 2052 S N 2.367 118.212 115.700 0.241 0.000 2.513 2052 S HA 0.784 5.254 4.470 -0.000 0.000 0.299 2052 S C -1.571 173.195 174.600 0.277 0.000 1.087 2052 S CA -0.986 57.362 58.200 0.247 0.000 1.012 2052 S CB 1.266 64.563 63.200 0.162 0.000 1.044 2052 S HN 0.664 nan 8.310 nan 0.000 0.485 2053 W N 1.063 122.379 121.300 0.027 0.000 2.950 2053 W HA 0.658 5.318 4.660 -0.000 0.000 0.340 2053 W C 0.083 176.608 176.519 0.010 0.000 1.139 2053 W CA -0.769 56.585 57.345 0.015 0.000 1.188 2053 W CB 1.979 31.445 29.460 0.010 0.000 1.426 2053 W HN 0.764 nan 8.180 nan 0.000 0.531 2054 R N 1.678 122.299 120.500 0.201 0.000 2.637 2054 R HA 0.891 5.231 4.340 -0.000 0.000 0.291 2054 R C -0.745 175.645 176.300 0.151 0.000 0.963 2054 R CA -0.382 55.791 56.100 0.122 0.000 0.901 2054 R CB 1.558 31.882 30.300 0.041 0.000 1.160 2054 R HN 0.629 nan 8.270 nan 0.000 0.457 2055 A N 2.490 125.374 122.820 0.108 0.000 2.524 2055 A HA 0.529 4.849 4.320 -0.000 0.000 0.289 2055 A C -1.551 176.064 177.584 0.050 0.000 1.248 2055 A CA -0.679 51.415 52.037 0.095 0.000 0.712 2055 A CB 1.856 20.913 19.000 0.095 0.000 1.312 2055 A HN 0.716 nan 8.150 nan 0.000 0.441 2056 E N -0.554 119.670 120.200 0.039 0.000 2.272 2056 E HA 0.561 4.911 4.350 -0.000 0.000 0.269 2056 E C -2.243 174.366 176.600 0.015 0.000 0.877 2056 E CA -0.593 55.820 56.400 0.022 0.000 0.755 2056 E CB 1.995 31.706 29.700 0.020 0.000 1.192 2056 E HN 0.438 nan 8.360 nan 0.000 0.422 2057 L N 4.432 125.658 121.223 0.006 0.000 2.372 2057 L HA 0.332 4.672 4.340 -0.000 0.000 0.274 2057 L C -0.982 175.886 176.870 -0.002 0.000 0.988 2057 L CA -0.048 54.792 54.840 0.001 0.000 0.833 2057 L CB 1.294 43.351 42.059 -0.004 0.000 1.236 2057 L HN 0.645 nan 8.230 nan 0.000 0.410 2058 D N 4.611 125.010 120.400 -0.002 0.000 2.701 2058 D HA -0.218 4.422 4.640 -0.000 0.000 0.235 2058 D C 1.122 177.421 176.300 -0.002 0.000 1.155 2058 D CA 1.463 55.461 54.000 -0.003 0.000 0.649 2058 D CB -0.756 40.041 40.800 -0.006 0.000 1.050 2058 D HN 1.187 nan 8.370 nan 0.000 0.425 2059 G N -0.691 108.109 108.800 -0.000 0.000 2.199 2059 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.254 2059 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.254 2059 G C 0.309 175.209 174.900 -0.001 0.000 0.982 2059 G CA 0.653 45.753 45.100 -0.000 0.000 0.632 2059 G HN 0.460 nan 8.290 nan 0.000 0.529 2060 K N 0.821 121.219 120.400 -0.003 0.000 2.182 2060 K HA 0.721 5.041 4.320 -0.000 0.000 0.262 2060 K C 0.460 177.057 176.600 -0.004 0.000 0.957 2060 K CA -0.021 56.262 56.287 -0.006 0.000 0.842 2060 K CB 1.850 34.344 32.500 -0.010 0.000 1.099 2060 K HN 0.505 nan 8.250 nan 0.000 0.438 2061 A N 2.252 125.069 122.820 -0.004 0.000 2.488 2061 A HA 0.367 4.686 4.320 -0.000 0.000 0.249 2061 A C -0.047 177.533 177.584 -0.008 0.000 1.083 2061 A CA -0.367 51.669 52.037 -0.001 0.000 0.768 2061 A CB -0.064 18.935 19.000 -0.002 0.000 1.017 2061 A HN 0.542 nan 8.150 nan 0.000 0.496 2062 V N 1.090 121.005 119.914 0.002 0.000 2.962 2062 V HA 0.765 4.884 4.120 -0.000 0.000 0.313 2062 V C -0.601 175.501 176.094 0.013 0.000 1.099 2062 V CA -1.088 61.208 62.300 -0.007 0.000 0.971 2062 V CB 1.738 33.557 31.823 -0.006 0.000 1.028 2062 V HN 0.649 nan 8.190 nan 0.000 0.430 2063 I N 2.915 123.485 120.570 -0.001 0.000 2.562 2063 I HA 0.642 4.812 4.170 -0.000 0.000 0.301 2063 I C -0.420 175.726 176.117 0.047 0.000 1.003 2063 I CA -0.777 60.542 61.300 0.032 0.000 1.127 2063 I CB 2.024 40.030 38.000 0.011 0.000 1.304 2063 I HN 0.554 nan 8.210 nan 0.000 0.446 2064 V N 4.629 124.603 119.914 0.100 0.000 2.409 2064 V HA 0.378 4.498 4.120 -0.000 0.000 0.290 2064 V C -0.581 175.596 176.094 0.139 0.000 1.017 2064 V CA -0.471 61.887 62.300 0.096 0.000 0.841 2064 V CB 2.013 33.882 31.823 0.076 0.000 1.003 2064 V HN 0.900 nan 8.190 nan 0.000 0.426 2065 C N 5.091 124.470 119.300 0.131 0.000 2.535 2065 C HA 0.756 5.216 4.460 -0.000 0.000 0.319 2065 C C 0.603 175.695 174.990 0.169 0.000 1.171 2065 C CA -0.342 58.777 59.018 0.168 0.000 1.394 2065 C CB 1.326 29.168 27.740 0.169 0.000 1.990 2065 C HN 1.016 nan 8.230 nan 0.000 0.466 2066 S N 3.171 118.981 115.700 0.182 0.000 2.592 2066 S HA 0.391 4.860 4.470 -0.000 0.000 0.271 2066 S C 0.891 175.636 174.600 0.242 0.000 1.326 2066 S CA 0.370 58.663 58.200 0.154 0.000 1.024 2066 S CB 1.324 64.582 63.200 0.096 0.000 0.921 2066 S HN 1.042 nan 8.310 nan 0.000 0.527 2067 T N -1.637 113.023 114.554 0.177 0.000 2.990 2067 T HA 0.540 4.890 4.350 -0.000 0.000 0.249 2067 T C 1.172 175.948 174.700 0.126 0.000 1.039 2067 T CA 0.391 62.630 62.100 0.232 0.000 1.036 2067 T CB -0.795 68.157 68.868 0.140 0.000 0.994 2067 T HN 1.940 nan 8.240 nan 0.000 0.489 2068 G N 1.441 110.244 108.800 0.004 0.000 2.698 2068 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.225 2068 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.225 2068 G C -0.747 174.136 174.900 -0.028 0.000 1.345 2068 G CA -0.498 44.553 45.100 -0.082 0.000 0.871 2068 G HN 0.610 nan 8.290 nan 0.000 0.540 2069 I N 2.043 122.588 120.570 -0.041 0.000 2.353 2069 I HA 0.560 4.730 4.170 -0.000 0.000 0.293 2069 I C 1.040 177.154 176.117 -0.005 0.000 0.992 2069 I CA 0.658 61.947 61.300 -0.019 0.000 1.268 2069 I CB 0.865 38.846 38.000 -0.032 0.000 1.387 2069 I HN 2.107 nan 8.210 nan 0.000 0.478 2070 G N 3.799 112.603 108.800 0.007 0.000 2.690 2070 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 2070 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 2070 G C 0.558 175.466 174.900 0.013 0.000 1.277 2070 G CA -0.421 44.685 45.100 0.009 0.000 0.799 2070 G HN 0.953 nan 8.290 nan 0.000 0.613 2071 G N 0.347 109.150 108.800 0.005 0.000 2.422 2071 G HA2 0.095 4.055 3.960 -0.000 0.000 0.218 2071 G HA3 0.095 4.055 3.960 -0.000 0.000 0.218 2071 G C 0.118 175.024 174.900 0.011 0.000 1.146 2071 G CA 1.995 47.095 45.100 0.001 0.000 0.769 2071 G HN 0.679 nan 8.290 nan 0.000 0.547 2072 P HA -0.141 nan 4.420 nan 0.000 0.214 2072 P C 2.506 179.839 177.300 0.055 0.000 1.163 2072 P CA 2.382 65.491 63.100 0.015 0.000 0.883 2072 P CB -0.206 31.499 31.700 0.008 0.000 0.788 2073 S N -1.920 113.828 115.700 0.080 0.000 2.368 2073 S HA -0.146 4.323 4.470 -0.000 0.000 0.225 2073 S C 1.960 176.699 174.600 0.230 0.000 1.030 2073 S CA 1.988 60.298 58.200 0.184 0.000 0.999 2073 S CB -1.993 61.262 63.200 0.091 0.000 0.844 2073 S HN 0.094 nan 8.310 nan 0.000 0.459 2074 T N 2.994 117.618 114.554 0.116 0.000 2.746 2074 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 2074 T C 2.357 177.053 174.700 -0.008 0.000 1.039 2074 T CA 1.847 63.986 62.100 0.065 0.000 1.142 2074 T CB -0.787 68.085 68.868 0.008 0.000 0.866 2074 T HN 0.797 nan 8.240 nan 0.000 0.444 2075 S N 1.350 117.046 115.700 -0.006 0.000 2.400 2075 S HA -0.054 4.416 4.470 -0.000 0.000 0.232 2075 S C 2.059 176.651 174.600 -0.014 0.000 1.025 2075 S CA 0.848 59.044 58.200 -0.006 0.000 0.993 2075 S CB -0.776 62.518 63.200 0.157 0.000 0.808 2075 S HN 0.500 nan 8.310 nan 0.000 0.478 2076 I N 2.034 122.580 120.570 -0.040 0.000 2.233 2076 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 2076 I C 3.112 179.077 176.117 -0.254 0.000 1.093 2076 I CA 1.044 62.243 61.300 -0.168 0.000 1.380 2076 I CB -0.723 37.091 38.000 -0.310 0.000 1.067 2076 I HN 0.422 nan 8.210 nan 0.000 0.413 2077 A N 0.566 123.223 122.820 -0.271 0.000 1.865 2077 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 2077 A C 2.424 179.963 177.584 -0.074 0.000 1.191 2077 A CA 1.925 53.815 52.037 -0.244 0.000 0.623 2077 A CB -1.055 17.934 19.000 -0.018 0.000 0.826 2077 A HN 0.230 nan 8.150 nan 0.000 0.444 2078 V N 0.281 120.130 119.914 -0.108 0.000 2.287 2078 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 2078 V C 2.650 178.669 176.094 -0.124 0.000 1.053 2078 V CA 2.571 64.724 62.300 -0.243 0.000 1.027 2078 V CB -0.849 30.637 31.823 -0.562 0.000 0.646 2078 V HN 0.787 nan 8.190 nan 0.000 0.447 2079 E N 0.977 121.120 120.200 -0.094 0.000 2.038 2079 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 2079 E C 2.075 178.697 176.600 0.037 0.000 1.000 2079 E CA 2.144 58.540 56.400 -0.007 0.000 0.803 2079 E CB -0.377 29.348 29.700 0.041 0.000 0.750 2079 E HN 0.690 nan 8.360 nan 0.000 0.448 2080 E N -0.063 120.146 120.200 0.015 0.000 2.150 2080 E HA -0.117 4.232 4.350 -0.000 0.000 0.193 2080 E C 2.288 178.926 176.600 0.062 0.000 0.985 2080 E CA 0.909 57.329 56.400 0.033 0.000 0.814 2080 E CB -0.131 29.568 29.700 -0.002 0.000 0.752 2080 E HN 0.336 nan 8.360 nan 0.000 0.466 2081 L N 0.549 121.835 121.223 0.105 0.000 2.093 2081 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 2081 L C 2.569 179.549 176.870 0.183 0.000 1.085 2081 L CA 0.802 55.738 54.840 0.160 0.000 0.755 2081 L CB -0.385 41.854 42.059 0.301 0.000 0.904 2081 L HN 0.139 nan 8.230 nan 0.000 0.435 2082 A N -0.559 122.415 122.820 0.258 0.000 1.933 2082 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 2082 A C 2.189 179.840 177.584 0.112 0.000 1.175 2082 A CA 1.358 53.530 52.037 0.225 0.000 0.628 2082 A CB -0.407 18.710 19.000 0.196 0.000 0.814 2082 A HN 0.447 nan 8.150 nan 0.000 0.444 2083 Q N -1.084 118.769 119.800 0.088 0.000 2.170 2083 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 2083 Q C 1.335 177.364 176.000 0.048 0.000 0.976 2083 Q CA 0.958 56.798 55.803 0.060 0.000 0.858 2083 Q CB -0.176 28.595 28.738 0.055 0.000 0.907 2083 Q HN 0.476 nan 8.270 nan 0.000 0.433 2084 L N -1.470 119.783 121.223 0.049 0.000 2.554 2084 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 2084 L C 1.436 178.318 176.870 0.019 0.000 1.137 2084 L CA 1.565 56.424 54.840 0.032 0.000 0.863 2084 L CB -0.073 42.005 42.059 0.031 0.000 0.985 2084 L HN 0.381 nan 8.230 nan 0.000 0.451 2085 G N -1.710 107.104 108.800 0.023 0.000 2.229 2085 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.189 2085 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.189 2085 G C 0.354 175.238 174.900 -0.027 0.000 1.000 2085 G CA -0.455 44.647 45.100 0.004 0.000 0.663 2085 G HN 0.061 nan 8.290 nan 0.000 0.493 2086 I N 1.406 121.945 120.570 -0.052 0.000 2.618 2086 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 2086 I C 1.303 177.328 176.117 -0.152 0.000 1.146 2086 I CA 0.304 61.478 61.300 -0.211 0.000 1.425 2086 I CB 0.990 38.727 38.000 -0.439 0.000 1.383 2086 I HN 0.101 nan 8.210 nan 0.000 0.562 2087 R N 2.928 123.314 120.500 -0.189 0.000 2.469 2087 R HA 0.197 4.537 4.340 -0.000 0.000 0.250 2087 R C -0.200 176.083 176.300 -0.028 0.000 0.909 2087 R CA 0.209 56.296 56.100 -0.022 0.000 1.050 2087 R CB 0.591 30.890 30.300 -0.002 0.000 1.256 2087 R HN 0.532 nan 8.270 nan 0.000 0.550 2088 T N 1.339 115.740 114.554 -0.256 0.000 2.841 2088 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 2088 T C -1.106 173.369 174.700 -0.375 0.000 0.991 2088 T CA -0.291 61.722 62.100 -0.146 0.000 0.966 2088 T CB 1.220 70.034 68.868 -0.090 0.000 0.962 2088 T HN -0.175 nan 8.240 nan 0.000 0.438 2089 F N 2.666 122.612 119.950 -0.006 0.000 2.493 2089 F HA 0.578 5.105 4.527 -0.000 0.000 0.329 2089 F C -0.242 175.553 175.800 -0.007 0.000 1.126 2089 F CA -1.117 56.879 58.000 -0.007 0.000 0.937 2089 F CB 1.356 40.347 39.000 -0.015 0.000 1.146 2089 F HN 0.213 nan 8.300 nan 0.000 0.442 2090 L N 4.034 125.337 121.223 0.133 0.000 2.316 2090 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 2090 L C -0.206 176.712 176.870 0.079 0.000 1.006 2090 L CA -0.915 53.972 54.840 0.079 0.000 0.836 2090 L CB 1.595 43.672 42.059 0.031 0.000 1.221 2090 L HN 0.484 nan 8.230 nan 0.000 0.418 2091 R N 3.467 124.009 120.500 0.069 0.000 2.298 2091 R HA 0.523 4.863 4.340 -0.000 0.000 0.310 2091 R C -1.047 175.273 176.300 0.034 0.000 1.068 2091 R CA -0.117 56.015 56.100 0.053 0.000 0.957 2091 R CB 0.778 31.102 30.300 0.039 0.000 1.003 2091 R HN 0.512 nan 8.270 nan 0.000 0.454 2092 I N 3.113 123.702 120.570 0.031 0.000 2.608 2092 I HA 0.842 5.012 4.170 -0.000 0.000 0.295 2092 I C -0.567 175.560 176.117 0.017 0.000 1.049 2092 I CA -0.072 61.239 61.300 0.020 0.000 1.063 2092 I CB 2.184 40.192 38.000 0.014 0.000 1.248 2092 I HN 0.753 nan 8.210 nan 0.000 0.424 2093 G N 3.534 112.342 108.800 0.014 0.000 2.495 2093 G HA2 0.562 4.522 3.960 -0.000 0.000 0.294 2093 G HA3 0.562 4.522 3.960 -0.000 0.000 0.294 2093 G C -1.412 173.495 174.900 0.011 0.000 1.397 2093 G CA -0.160 44.947 45.100 0.012 0.000 0.790 2093 G HN 0.733 nan 8.290 nan 0.000 0.486 2094 T N -2.266 112.294 114.554 0.010 0.000 2.918 2094 T HA 0.813 5.162 4.350 -0.000 0.000 0.286 2094 T C -0.216 174.494 174.700 0.017 0.000 1.026 2094 T CA -0.498 61.608 62.100 0.010 0.000 1.031 2094 T CB 2.196 71.067 68.868 0.004 0.000 1.046 2094 T HN 1.064 nan 8.240 nan 0.000 0.479 2095 T N -0.274 114.290 114.554 0.016 0.000 2.792 2095 T HA 0.695 5.045 4.350 -0.000 0.000 0.303 2095 T C 0.283 174.991 174.700 0.013 0.000 1.310 2095 T CA -0.061 62.050 62.100 0.019 0.000 1.007 2095 T CB 1.222 70.098 68.868 0.014 0.000 1.335 2095 T HN 1.052 nan 8.240 nan 0.000 0.504 2096 G N 0.392 109.200 108.800 0.013 0.000 2.543 2096 G HA2 0.798 4.757 3.960 -0.000 0.000 0.267 2096 G HA3 0.798 4.757 3.960 -0.000 0.000 0.267 2096 G C -0.590 174.302 174.900 -0.013 0.000 1.406 2096 G CA -0.138 44.965 45.100 0.004 0.000 1.048 2096 G HN 1.186 nan 8.290 nan 0.000 0.548 2097 A N -1.455 121.349 122.820 -0.026 0.000 2.604 2097 A HA 0.564 4.884 4.320 -0.000 0.000 0.295 2097 A C -0.040 177.501 177.584 -0.071 0.000 1.067 2097 A CA -0.233 51.760 52.037 -0.074 0.000 0.683 2097 A CB 0.992 19.926 19.000 -0.110 0.000 1.281 2097 A HN 1.291 nan 8.150 nan 0.000 0.407 2098 I N -2.455 118.046 120.570 -0.115 0.000 4.081 2098 I HA 0.328 4.498 4.170 -0.000 0.000 0.333 2098 I C -0.414 175.637 176.117 -0.109 0.000 1.413 2098 I CA -0.118 61.134 61.300 -0.081 0.000 1.110 2098 I CB 0.487 38.431 38.000 -0.093 0.000 1.082 2098 I HN 0.319 nan 8.210 nan 0.000 0.402 2099 Q N 2.010 121.679 119.800 -0.219 0.000 2.293 2099 Q HA 0.394 4.734 4.340 -0.000 0.000 0.261 2099 Q C -1.976 173.790 176.000 -0.390 0.000 0.960 2099 Q CA -1.978 53.605 55.803 -0.366 0.000 0.882 2099 Q CB 2.021 30.300 28.738 -0.764 0.000 1.275 2099 Q HN -0.008 nan 8.270 nan 0.000 0.445 2100 P HA -0.182 nan 4.420 nan 0.000 0.216 2100 P C 0.626 177.887 177.300 -0.065 0.000 1.150 2100 P CA 1.617 64.682 63.100 -0.058 0.000 0.837 2100 P CB 0.102 31.839 31.700 0.061 0.000 0.786 2101 H N -2.205 116.836 119.070 -0.048 0.000 2.545 2101 H HA 0.107 4.663 4.556 -0.000 0.000 0.282 2101 H C 0.594 175.879 175.328 -0.072 0.000 1.020 2101 H CA -0.041 55.981 56.048 -0.043 0.000 1.243 2101 H CB -1.019 28.718 29.762 -0.041 0.000 1.377 2101 H HN 0.109 nan 8.280 nan 0.000 0.581 2102 I N 3.057 123.391 120.570 -0.392 0.000 2.301 2102 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 2102 I C -0.347 175.711 176.117 -0.098 0.000 1.046 2102 I CA -0.448 60.670 61.300 -0.304 0.000 1.282 2102 I CB 0.424 38.149 38.000 -0.459 0.000 1.409 2102 I HN 0.320 nan 8.210 nan 0.000 0.484 2103 N N 5.433 124.144 118.700 0.018 0.000 2.472 2103 N HA 0.344 5.084 4.740 -0.000 0.000 0.289 2103 N C -0.369 175.159 175.510 0.031 0.000 1.156 2103 N CA -0.632 52.432 53.050 0.023 0.000 0.940 2103 N CB 1.998 40.512 38.487 0.044 0.000 1.200 2103 N HN 0.132 nan 8.380 nan 0.000 0.511 2104 V N 0.590 120.514 119.914 0.015 0.000 2.694 2104 V HA 0.235 4.355 4.120 -0.000 0.000 0.306 2104 V C 1.529 177.634 176.094 0.017 0.000 1.054 2104 V CA 1.385 63.692 62.300 0.012 0.000 1.161 2104 V CB 0.187 32.012 31.823 0.003 0.000 0.916 2104 V HN 1.084 nan 8.190 nan 0.000 0.490 2105 G N 3.412 112.220 108.800 0.013 0.000 2.238 2105 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 2105 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 2105 G C -0.099 174.828 174.900 0.046 0.000 0.996 2105 G CA -0.018 45.087 45.100 0.009 0.000 0.632 2105 G HN 0.666 nan 8.290 nan 0.000 0.503 2106 D N -0.100 120.341 120.400 0.067 0.000 2.354 2106 D HA 0.558 5.198 4.640 -0.000 0.000 0.247 2106 D C 0.190 176.541 176.300 0.084 0.000 1.138 2106 D CA -0.056 53.999 54.000 0.092 0.000 0.958 2106 D CB 2.166 43.084 40.800 0.197 0.000 1.144 2106 D HN 0.368 nan 8.370 nan 0.000 0.458 2107 V N 1.482 121.435 119.914 0.065 0.000 2.628 2107 V HA 0.474 4.593 4.120 -0.000 0.000 0.306 2107 V C -1.041 175.093 176.094 0.067 0.000 1.045 2107 V CA -0.644 61.690 62.300 0.056 0.000 0.905 2107 V CB 1.328 33.174 31.823 0.037 0.000 0.997 2107 V HN 0.329 nan 8.190 nan 0.000 0.436 2108 L N 6.565 127.826 121.223 0.063 0.000 2.333 2108 L HA 0.648 4.988 4.340 -0.000 0.000 0.280 2108 L C -0.852 176.040 176.870 0.036 0.000 1.004 2108 L CA -0.892 53.989 54.840 0.069 0.000 0.820 2108 L CB 1.914 44.006 42.059 0.055 0.000 1.247 2108 L HN 0.331 nan 8.230 nan 0.000 0.416 2109 V N 1.604 121.538 119.914 0.033 0.000 2.384 2109 V HA 0.317 4.436 4.120 -0.000 0.000 0.287 2109 V C 0.209 176.312 176.094 0.016 0.000 1.020 2109 V CA -0.418 61.891 62.300 0.015 0.000 0.850 2109 V CB 1.735 33.559 31.823 0.002 0.000 0.987 2109 V HN 0.746 nan 8.190 nan 0.000 0.436 2110 T N 3.264 117.823 114.554 0.008 0.000 2.743 2110 T HA 0.207 4.557 4.350 -0.000 0.000 0.293 2110 T C 1.324 176.029 174.700 0.008 0.000 0.945 2110 T CA 0.194 62.295 62.100 0.003 0.000 1.030 2110 T CB 1.215 70.079 68.868 -0.007 0.000 0.912 2110 T HN 0.960 nan 8.240 nan 0.000 0.483 2111 T N 0.654 115.215 114.554 0.012 0.000 2.937 2111 T HA 0.469 4.818 4.350 -0.000 0.000 0.260 2111 T C 0.730 175.440 174.700 0.016 0.000 1.051 2111 T CA 0.300 62.414 62.100 0.023 0.000 1.141 2111 T CB 0.162 69.049 68.868 0.032 0.000 0.879 2111 T HN 0.752 nan 8.240 nan 0.000 0.459 2112 A N -0.077 122.742 122.820 -0.002 0.000 2.601 2112 A HA 0.691 5.011 4.320 -0.000 0.000 0.291 2112 A C -1.035 176.528 177.584 -0.035 0.000 1.075 2112 A CA -0.840 51.190 52.037 -0.012 0.000 0.671 2112 A CB 1.345 20.335 19.000 -0.016 0.000 1.277 2112 A HN 0.222 nan 8.150 nan 0.000 0.417 2113 S N -0.455 115.221 115.700 -0.041 0.000 2.542 2113 S HA 0.610 5.080 4.470 -0.000 0.000 0.293 2113 S C -0.502 174.038 174.600 -0.100 0.000 1.089 2113 S CA -0.549 57.606 58.200 -0.075 0.000 0.961 2113 S CB 1.745 64.911 63.200 -0.056 0.000 1.062 2113 S HN 0.873 nan 8.310 nan 0.000 0.483 2114 V N 3.050 122.851 119.914 -0.188 0.000 2.508 2114 V HA 0.200 4.320 4.120 -0.000 0.000 0.281 2114 V C 0.551 176.556 176.094 -0.149 0.000 1.041 2114 V CA -0.086 62.064 62.300 -0.251 0.000 1.016 2114 V CB 0.150 31.613 31.823 -0.600 0.000 0.984 2114 V HN 0.696 nan 8.190 nan 0.000 0.478 2115 R N 5.440 125.906 120.500 -0.057 0.000 2.893 2115 R HA 0.294 4.633 4.340 -0.000 0.000 0.243 2115 R C 0.048 176.382 176.300 0.057 0.000 1.481 2115 R CA -0.088 56.019 56.100 0.012 0.000 1.250 2115 R CB -0.029 30.302 30.300 0.052 0.000 1.213 2115 R HN 0.658 nan 8.270 nan 0.000 0.609 2116 L N 2.161 123.423 121.223 0.064 0.000 2.912 2116 L HA 0.127 4.467 4.340 -0.000 0.000 0.240 2116 L C 0.264 177.220 176.870 0.143 0.000 1.262 2116 L CA -0.261 54.685 54.840 0.177 0.000 1.058 2116 L CB -0.666 41.541 42.059 0.248 0.000 1.383 2116 L HN 0.518 nan 8.230 nan 0.000 0.512 2117 D N -1.384 119.073 120.400 0.095 0.000 2.621 2117 D HA 0.347 4.986 4.640 -0.000 0.000 0.255 2117 D C 0.751 177.096 176.300 0.075 0.000 1.122 2117 D CA -0.299 53.742 54.000 0.068 0.000 1.096 2117 D CB 1.712 42.534 40.800 0.037 0.000 1.282 2117 D HN -0.082 nan 8.370 nan 0.000 0.619 2118 G N -1.388 107.435 108.800 0.039 0.000 2.739 2118 G HA2 0.267 4.227 3.960 -0.000 0.000 0.200 2118 G HA3 0.267 4.227 3.960 -0.000 0.000 0.200 2118 G C 1.267 176.133 174.900 -0.057 0.000 1.069 2118 G CA 0.599 45.719 45.100 0.033 0.000 0.768 2118 G HN 0.615 nan 8.290 nan 0.000 0.565 2119 A N 1.859 124.604 122.820 -0.126 0.000 1.933 2119 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 2119 A C 2.677 180.326 177.584 0.109 0.000 1.175 2119 A CA 2.508 54.431 52.037 -0.190 0.000 0.628 2119 A CB -0.713 18.253 19.000 -0.057 0.000 0.814 2119 A HN 0.769 nan 8.150 nan 0.000 0.444 2120 S N 0.281 116.065 115.700 0.140 0.000 2.383 2120 S HA -0.132 4.337 4.470 -0.000 0.000 0.229 2120 S C 1.727 176.479 174.600 0.254 0.000 1.030 2120 S CA 1.517 59.846 58.200 0.214 0.000 1.002 2120 S CB -0.791 62.480 63.200 0.119 0.000 0.829 2120 S HN 0.456 nan 8.310 nan 0.000 0.467 2121 L N 0.794 122.142 121.223 0.209 0.000 2.456 2121 L HA -0.016 4.324 4.340 -0.000 0.000 0.224 2121 L C 2.217 179.209 176.870 0.204 0.000 1.148 2121 L CA 1.073 56.033 54.840 0.201 0.000 0.825 2121 L CB -0.679 41.498 42.059 0.196 0.000 0.937 2121 L HN 0.517 nan 8.230 nan 0.000 0.450 2122 H N -1.954 117.084 119.070 -0.053 0.000 2.539 2122 H HA 0.037 4.593 4.556 -0.000 0.000 0.267 2122 H C 1.149 176.130 175.328 -0.578 0.000 0.982 2122 H CA 0.366 56.231 56.048 -0.305 0.000 1.146 2122 H CB 0.450 29.970 29.762 -0.403 0.000 1.382 2122 H HN 0.341 nan 8.280 nan 0.000 0.577 2123 F N -0.352 119.622 119.950 0.040 0.000 2.699 2123 F HA 0.433 4.960 4.527 -0.000 0.000 0.295 2123 F C 0.773 176.489 175.800 -0.139 0.000 1.052 2123 F CA -0.051 57.913 58.000 -0.060 0.000 1.239 2123 F CB 1.078 40.024 39.000 -0.090 0.000 1.018 2123 F HN -0.042 nan 8.300 nan 0.000 0.627 2124 A N 0.596 123.448 122.820 0.054 0.000 2.566 2124 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 2124 A C -2.796 174.822 177.584 0.057 0.000 1.059 2124 A CA -1.402 50.600 52.037 -0.058 0.000 0.691 2124 A CB 0.671 19.462 19.000 -0.350 0.000 1.282 2124 A HN -0.165 nan 8.150 nan 0.000 0.401 2125 P HA 0.077 nan 4.420 nan 0.000 0.271 2125 P C 0.847 178.232 177.300 0.142 0.000 1.233 2125 P CA -0.177 62.980 63.100 0.096 0.000 0.789 2125 P CB 0.441 32.192 31.700 0.084 0.000 0.951 2126 M N 1.354 121.024 119.600 0.116 0.000 2.260 2126 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 2126 M C 1.474 177.848 176.300 0.124 0.000 1.066 2126 M CA 1.929 57.300 55.300 0.118 0.000 1.082 2126 M CB -1.264 31.390 32.600 0.091 0.000 1.388 2126 M HN 0.296 nan 8.290 nan 0.000 0.419 2127 E N -0.779 119.493 120.200 0.120 0.000 2.204 2127 E HA -0.085 4.264 4.350 -0.000 0.000 0.195 2127 E C 0.302 176.966 176.600 0.107 0.000 0.990 2127 E CA 0.610 57.067 56.400 0.096 0.000 0.821 2127 E CB -0.498 29.253 29.700 0.084 0.000 0.750 2127 E HN 0.497 nan 8.360 nan 0.000 0.477 2128 F N 2.544 122.514 119.950 0.033 0.000 2.529 2128 F HA 0.135 4.662 4.527 -0.000 0.000 0.365 2128 F C -1.946 173.870 175.800 0.026 0.000 1.102 2128 F CA -2.675 55.344 58.000 0.031 0.000 1.271 2128 F CB 0.542 39.567 39.000 0.040 0.000 1.120 2128 F HN -0.114 nan 8.300 nan 0.000 0.579 2129 P HA 0.147 nan 4.420 nan 0.000 0.281 2129 P C -1.246 176.079 177.300 0.043 0.000 1.252 2129 P CA -0.380 62.630 63.100 -0.149 0.000 0.778 2129 P CB 1.255 32.798 31.700 -0.262 0.000 0.895 2130 A N 4.256 127.124 122.820 0.080 0.000 3.063 2130 A HA 0.242 4.562 4.320 -0.000 0.000 0.263 2130 A C 0.331 177.942 177.584 0.045 0.000 1.736 2130 A CA -0.347 51.748 52.037 0.096 0.000 1.408 2130 A CB -0.931 18.100 19.000 0.052 0.000 1.108 2130 A HN 0.477 nan 8.150 nan 0.000 0.621 2131 V N 1.466 121.409 119.914 0.048 0.000 2.539 2131 V HA 0.676 4.795 4.120 -0.000 0.000 0.292 2131 V C 0.682 176.807 176.094 0.051 0.000 1.045 2131 V CA -0.140 62.176 62.300 0.026 0.000 0.945 2131 V CB 1.376 33.192 31.823 -0.012 0.000 0.993 2131 V HN 0.859 nan 8.190 nan 0.000 0.464 2132 A N 4.192 127.039 122.820 0.045 0.000 2.304 2132 A HA 0.424 4.744 4.320 -0.000 0.000 0.271 2132 A C -0.015 177.616 177.584 0.077 0.000 1.091 2132 A CA -0.307 51.761 52.037 0.052 0.000 0.812 2132 A CB 0.258 19.280 19.000 0.037 0.000 1.056 2132 A HN 1.012 nan 8.150 nan 0.000 0.489 2133 D N -0.218 120.229 120.400 0.078 0.000 2.389 2133 D HA 0.145 4.784 4.640 -0.000 0.000 0.247 2133 D C 0.649 177.019 176.300 0.117 0.000 1.128 2133 D CA -0.105 53.956 54.000 0.103 0.000 0.884 2133 D CB 0.197 41.048 40.800 0.086 0.000 1.194 2133 D HN 0.367 nan 8.370 nan 0.000 0.441 2134 F N 3.976 123.937 119.950 0.017 0.000 2.134 2134 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 2134 F C 1.970 177.777 175.800 0.011 0.000 1.097 2134 F CA 1.672 59.679 58.000 0.011 0.000 1.264 2134 F CB -0.399 38.605 39.000 0.008 0.000 1.001 2134 F HN 0.490 nan 8.300 nan 0.000 0.479 2135 A N -0.524 122.256 122.820 -0.066 0.000 1.877 2135 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 2135 A C 2.385 179.869 177.584 -0.168 0.000 1.186 2135 A CA 1.752 53.695 52.037 -0.156 0.000 0.620 2135 A CB -1.630 17.365 19.000 -0.008 0.000 0.822 2135 A HN 0.545 nan 8.150 nan 0.000 0.443 2136 C N -1.059 118.191 119.300 -0.082 0.000 2.432 2136 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 2136 C C 3.040 177.973 174.990 -0.096 0.000 1.249 2136 C CA 1.544 60.525 59.018 -0.061 0.000 1.725 2136 C CB -1.557 26.179 27.740 -0.007 0.000 2.028 2136 C HN 0.641 nan 8.230 nan 0.000 0.477 2137 T N 0.546 115.031 114.554 -0.116 0.000 2.746 2137 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 2137 T C 1.798 176.383 174.700 -0.190 0.000 1.039 2137 T CA 2.121 64.151 62.100 -0.117 0.000 1.142 2137 T CB -0.497 68.326 68.868 -0.075 0.000 0.866 2137 T HN 0.601 nan 8.240 nan 0.000 0.444 2138 T N 2.028 116.367 114.554 -0.357 0.000 2.674 2138 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 2138 T C 2.416 176.995 174.700 -0.201 0.000 1.039 2138 T CA 1.262 63.139 62.100 -0.371 0.000 1.150 2138 T CB -0.605 67.902 68.868 -0.602 0.000 0.864 2138 T HN 0.438 nan 8.240 nan 0.000 0.427 2139 A N 1.066 123.785 122.820 -0.169 0.000 1.908 2139 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 2139 A C 2.317 179.854 177.584 -0.078 0.000 1.181 2139 A CA 1.280 53.255 52.037 -0.104 0.000 0.627 2139 A CB -0.857 18.094 19.000 -0.082 0.000 0.818 2139 A HN 0.481 nan 8.150 nan 0.000 0.445 2140 L N -0.749 120.429 121.223 -0.075 0.000 2.056 2140 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 2140 L C 2.531 179.370 176.870 -0.052 0.000 1.078 2140 L CA 1.020 55.830 54.840 -0.051 0.000 0.749 2140 L CB -0.546 41.490 42.059 -0.039 0.000 0.901 2140 L HN 0.244 nan 8.230 nan 0.000 0.433 2141 V N -0.161 119.715 119.914 -0.064 0.000 2.343 2141 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 2141 V C 2.328 178.389 176.094 -0.055 0.000 1.051 2141 V CA 1.809 64.076 62.300 -0.055 0.000 1.036 2141 V CB -0.449 31.339 31.823 -0.058 0.000 0.654 2141 V HN 0.451 nan 8.190 nan 0.000 0.451 2142 E N 0.132 120.294 120.200 -0.064 0.000 2.150 2142 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 2142 E C 2.299 178.868 176.600 -0.050 0.000 0.985 2142 E CA 1.115 57.482 56.400 -0.055 0.000 0.814 2142 E CB -0.290 29.375 29.700 -0.058 0.000 0.752 2142 E HN 0.600 nan 8.360 nan 0.000 0.466 2143 A N 1.453 124.242 122.820 -0.051 0.000 1.930 2143 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 2143 A C 2.376 179.929 177.584 -0.051 0.000 1.175 2143 A CA 1.512 53.521 52.037 -0.047 0.000 0.627 2143 A CB -0.515 18.460 19.000 -0.041 0.000 0.815 2143 A HN 0.283 nan 8.150 nan 0.000 0.443 2144 A N -0.549 122.242 122.820 -0.049 0.000 1.969 2144 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 2144 A C 2.053 179.600 177.584 -0.062 0.000 1.169 2144 A CA 2.154 54.160 52.037 -0.052 0.000 0.635 2144 A CB -0.335 18.639 19.000 -0.043 0.000 0.810 2144 A HN 0.415 nan 8.150 nan 0.000 0.445 2145 K N 0.779 121.146 120.400 -0.055 0.000 2.002 2145 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 2145 K C 2.287 178.854 176.600 -0.055 0.000 1.048 2145 K CA 1.783 58.038 56.287 -0.052 0.000 0.930 2145 K CB -0.391 32.083 32.500 -0.044 0.000 0.714 2145 K HN 0.582 nan 8.250 nan 0.000 0.438 2146 S N 0.468 116.135 115.700 -0.053 0.000 2.469 2146 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 2146 S C 1.709 176.268 174.600 -0.068 0.000 0.998 2146 S CA 1.207 59.375 58.200 -0.053 0.000 0.957 2146 S CB -0.762 62.410 63.200 -0.046 0.000 0.764 2146 S HN 0.527 nan 8.310 nan 0.000 0.514 2147 I N -2.648 117.868 120.570 -0.090 0.000 3.976 2147 I HA 0.563 4.733 4.170 -0.000 0.000 0.337 2147 I C 1.177 177.207 176.117 -0.146 0.000 1.359 2147 I CA 0.099 61.319 61.300 -0.132 0.000 1.098 2147 I CB -0.324 37.566 38.000 -0.184 0.000 1.027 2147 I HN 0.280 nan 8.210 nan 0.000 0.394 2148 G N 1.937 110.677 108.800 -0.099 0.000 2.179 2148 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 2148 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 2148 G C 0.446 175.297 174.900 -0.081 0.000 1.010 2148 G CA 0.188 45.239 45.100 -0.080 0.000 0.736 2148 G HN 0.982 nan 8.290 nan 0.000 0.513 2149 A N -0.133 122.631 122.820 -0.093 0.000 2.462 2149 A HA 0.619 4.939 4.320 -0.000 0.000 0.243 2149 A C 0.886 178.437 177.584 -0.056 0.000 1.076 2149 A CA 0.975 52.977 52.037 -0.058 0.000 0.773 2149 A CB 0.376 19.348 19.000 -0.047 0.000 1.010 2149 A HN 0.781 nan 8.150 nan 0.000 0.493 2150 T N 3.397 117.923 114.554 -0.045 0.000 2.776 2150 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 2150 T C 0.241 174.821 174.700 -0.200 0.000 0.921 2150 T CA 0.432 62.468 62.100 -0.108 0.000 1.038 2150 T CB -0.375 68.453 68.868 -0.066 0.000 0.910 2150 T HN 0.656 nan 8.240 nan 0.000 0.536 2151 T N 4.389 118.801 114.554 -0.237 0.000 2.902 2151 T HA 0.367 4.717 4.350 -0.000 0.000 0.283 2151 T C -0.320 174.145 174.700 -0.392 0.000 1.009 2151 T CA -0.732 61.227 62.100 -0.236 0.000 1.051 2151 T CB 0.749 69.553 68.868 -0.105 0.000 0.999 2151 T HN 0.479 nan 8.240 nan 0.000 0.474 2152 H N 1.108 120.188 119.070 0.018 0.000 2.658 2152 H HA 0.477 5.032 4.556 -0.000 0.000 0.337 2152 H C -1.018 174.318 175.328 0.014 0.000 1.009 2152 H CA -0.445 55.618 56.048 0.025 0.000 1.231 2152 H CB 1.517 31.295 29.762 0.027 0.000 1.508 2152 H HN 0.263 nan 8.280 nan 0.000 0.517 2153 V N 2.947 122.933 119.914 0.119 0.000 2.384 2153 V HA 0.731 4.851 4.120 -0.000 0.000 0.287 2153 V C 0.607 176.741 176.094 0.067 0.000 1.020 2153 V CA -0.204 62.137 62.300 0.069 0.000 0.850 2153 V CB 1.362 33.210 31.823 0.041 0.000 0.987 2153 V HN 1.044 nan 8.190 nan 0.000 0.436 2154 G N 3.283 112.110 108.800 0.045 0.000 2.364 2154 G HA2 0.445 4.405 3.960 -0.000 0.000 0.286 2154 G HA3 0.445 4.405 3.960 -0.000 0.000 0.286 2154 G C -1.413 173.488 174.900 0.001 0.000 1.241 2154 G CA -0.454 44.663 45.100 0.029 0.000 0.887 2154 G HN 0.463 nan 8.290 nan 0.000 0.484 2155 V N 0.730 120.634 119.914 -0.017 0.000 2.607 2155 V HA 0.638 4.758 4.120 -0.000 0.000 0.289 2155 V C 0.270 176.310 176.094 -0.091 0.000 1.053 2155 V CA -0.066 62.203 62.300 -0.052 0.000 0.996 2155 V CB 1.337 33.125 31.823 -0.058 0.000 0.995 2155 V HN 0.752 nan 8.190 nan 0.000 0.476 2156 T N 3.355 117.842 114.554 -0.113 0.000 2.863 2156 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 2156 T C -0.148 174.424 174.700 -0.213 0.000 1.009 2156 T CA -0.304 61.709 62.100 -0.145 0.000 0.989 2156 T CB 1.671 70.488 68.868 -0.085 0.000 1.004 2156 T HN 0.911 nan 8.240 nan 0.000 0.455 2157 A N 2.141 124.783 122.820 -0.296 0.000 2.252 2157 A HA 0.633 4.953 4.320 -0.000 0.000 0.309 2157 A C 0.320 177.844 177.584 -0.099 0.000 1.285 2157 A CA -0.475 51.350 52.037 -0.354 0.000 0.900 2157 A CB 0.442 19.056 19.000 -0.642 0.000 1.157 2157 A HN 0.628 nan 8.150 nan 0.000 0.536 2158 S N 2.078 117.730 115.700 -0.080 0.000 2.420 2158 S HA 0.509 4.979 4.470 -0.000 0.000 0.313 2158 S C 0.017 174.624 174.600 0.011 0.000 1.079 2158 S CA -0.306 57.885 58.200 -0.015 0.000 1.104 2158 S CB 0.333 63.519 63.200 -0.025 0.000 0.969 2158 S HN 0.935 nan 8.310 nan 0.000 0.471 2159 S N 3.245 118.953 115.700 0.012 0.000 2.509 2159 S HA 0.358 4.828 4.470 -0.000 0.000 0.297 2159 S C 0.416 174.993 174.600 -0.038 0.000 1.118 2159 S CA -0.637 57.546 58.200 -0.028 0.000 1.074 2159 S CB 1.173 64.288 63.200 -0.141 0.000 1.038 2159 S HN 0.717 nan 8.310 nan 0.000 0.498 2160 D N 1.884 122.268 120.400 -0.026 0.000 2.363 2160 D HA 0.111 4.750 4.640 -0.000 0.000 0.220 2160 D C 0.685 176.969 176.300 -0.026 0.000 0.994 2160 D CA 0.800 54.793 54.000 -0.010 0.000 0.890 2160 D CB 0.203 41.014 40.800 0.018 0.000 0.906 2160 D HN 0.713 nan 8.370 nan 0.000 0.530 2161 T N -3.847 110.656 114.554 -0.085 0.000 2.906 2161 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 2161 T C 0.420 175.057 174.700 -0.105 0.000 1.061 2161 T CA -0.887 61.177 62.100 -0.061 0.000 1.000 2161 T CB 1.288 70.106 68.868 -0.084 0.000 1.103 2161 T HN -0.119 nan 8.240 nan 0.000 0.486 2162 F N 0.073 119.897 119.950 -0.209 0.000 2.473 2162 F HA 0.240 4.767 4.527 0.000 0.000 0.294 2162 F C 0.935 176.407 175.800 -0.546 0.000 1.103 2162 F CA 0.543 58.307 58.000 -0.393 0.000 1.442 2162 F CB -0.013 38.709 39.000 -0.462 0.000 1.097 2162 F HN 0.683 nan 8.300 nan 0.000 0.547 2163 Y N 0.875 121.146 120.300 -0.048 0.000 2.344 2163 Y HA 0.155 4.705 4.550 -0.000 0.000 0.261 2163 Y C -0.405 175.321 175.900 -0.290 0.000 1.080 2163 Y CA 0.532 58.548 58.100 -0.140 0.000 1.151 2163 Y CB -1.927 36.535 38.460 0.004 0.000 1.059 2163 Y HN -0.212 nan 8.280 nan 0.000 0.490 2164 P HA -0.117 nan 4.420 nan 0.000 0.217 2164 P C 1.492 178.484 177.300 -0.514 0.000 1.150 2164 P CA 2.228 65.183 63.100 -0.242 0.000 0.832 2164 P CB -0.207 31.416 31.700 -0.130 0.000 0.787 2165 G N -0.155 108.216 108.800 -0.715 0.000 2.498 2165 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 2165 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 2165 G C 1.391 175.819 174.900 -0.787 0.000 1.119 2165 G CA 0.283 44.651 45.100 -1.220 0.000 0.766 2165 G HN 0.389 nan 8.290 nan 0.000 0.552 2166 Q N -0.627 118.732 119.800 -0.736 0.000 2.172 2166 Q HA 0.193 4.533 4.340 -0.000 0.000 0.217 2166 Q C 0.018 175.699 176.000 -0.531 0.000 0.832 2166 Q CA -0.275 54.885 55.803 -1.072 0.000 1.010 2166 Q CB 0.487 28.486 28.738 -1.231 0.000 1.133 2166 Q HN 0.613 nan 8.270 nan 0.000 0.489 2167 E N 1.701 121.702 120.200 -0.332 0.000 2.228 2167 E HA -0.243 4.107 4.350 -0.000 0.000 0.213 2167 E C -0.923 175.505 176.600 -0.286 0.000 1.282 2167 E CA 0.160 56.414 56.400 -0.243 0.000 0.707 2167 E CB -0.276 29.427 29.700 0.006 0.000 1.150 2167 E HN 0.303 nan 8.360 nan 0.000 0.362 2168 R N 0.180 120.501 120.500 -0.297 0.000 2.297 2168 R HA 0.209 4.549 4.340 -0.000 0.000 0.308 2168 R C 0.168 176.354 176.300 -0.189 0.000 1.029 2168 R CA -0.219 55.806 56.100 -0.125 0.000 0.929 2168 R CB 0.528 30.817 30.300 -0.019 0.000 1.046 2168 R HN 0.233 nan 8.270 nan 0.000 0.461 2169 Y N -0.042 120.294 120.300 0.060 0.000 2.442 2169 Y HA -0.004 4.546 4.550 -0.000 0.000 0.250 2169 Y C 0.628 176.556 175.900 0.046 0.000 1.113 2169 Y CA -0.318 57.810 58.100 0.047 0.000 1.273 2169 Y CB 0.495 38.972 38.460 0.030 0.000 1.138 2169 Y HN 0.534 nan 8.280 nan 0.000 0.522 2170 D N 1.355 121.873 120.400 0.196 0.000 2.671 2170 D HA 0.049 4.689 4.640 -0.000 0.000 0.228 2170 D C 0.244 176.601 176.300 0.095 0.000 1.102 2170 D CA 0.233 54.317 54.000 0.141 0.000 1.044 2170 D CB -0.475 40.413 40.800 0.147 0.000 1.113 2170 D HN 0.240 nan 8.370 nan 0.000 0.480 2171 T N -3.569 111.011 114.554 0.043 0.000 2.831 2171 T HA 0.237 4.587 4.350 -0.000 0.000 0.287 2171 T C 0.861 175.562 174.700 0.000 0.000 1.070 2171 T CA -0.980 61.093 62.100 -0.045 0.000 1.010 2171 T CB 0.919 69.731 68.868 -0.092 0.000 1.264 2171 T HN 0.107 nan 8.240 nan 0.000 0.532 2172 Y N 1.386 121.615 120.300 -0.117 0.000 2.097 2172 Y HA -0.168 4.382 4.550 0.000 0.000 0.282 2172 Y C 2.788 178.667 175.900 -0.036 0.000 1.152 2172 Y CA 2.741 60.797 58.100 -0.073 0.000 1.136 2172 Y CB -0.302 38.106 38.460 -0.086 0.000 0.975 2172 Y HN 0.749 nan 8.280 nan 0.000 0.498 2173 S N -1.042 114.572 115.700 -0.143 0.000 2.425 2173 S HA 0.128 4.597 4.470 -0.000 0.000 0.225 2173 S C 1.865 176.409 174.600 -0.094 0.000 1.024 2173 S CA 0.667 58.753 58.200 -0.190 0.000 0.951 2173 S CB -0.480 62.702 63.200 -0.031 0.000 0.796 2173 S HN 1.005 nan 8.310 nan 0.000 0.498 2174 G N 1.626 110.416 108.800 -0.017 0.000 2.155 2174 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 2174 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 2174 G C 0.039 175.034 174.900 0.158 0.000 0.983 2174 G CA 0.485 45.629 45.100 0.073 0.000 0.676 2174 G HN 0.876 nan 8.290 nan 0.000 0.528 2175 R N -0.590 119.962 120.500 0.085 0.000 2.604 2175 R HA 0.702 5.042 4.340 -0.000 0.000 0.287 2175 R C -1.061 175.258 176.300 0.032 0.000 0.970 2175 R CA -0.646 55.516 56.100 0.102 0.000 0.946 2175 R CB 1.824 32.158 30.300 0.057 0.000 1.127 2175 R HN 0.169 nan 8.270 nan 0.000 0.473 2176 V N 4.647 124.595 119.914 0.056 0.000 2.525 2176 V HA 0.185 4.304 4.120 -0.000 0.000 0.299 2176 V C -0.025 176.124 176.094 0.092 0.000 1.034 2176 V CA -0.897 61.391 62.300 -0.019 0.000 0.863 2176 V CB 1.636 33.320 31.823 -0.232 0.000 0.999 2176 V HN 0.701 nan 8.190 nan 0.000 0.423 2177 V N 6.137 126.120 119.914 0.116 0.000 2.928 2177 V HA 0.002 4.122 4.120 -0.000 0.000 0.307 2177 V C 1.910 178.068 176.094 0.106 0.000 1.105 2177 V CA 0.993 63.366 62.300 0.121 0.000 1.223 2177 V CB 0.829 32.743 31.823 0.152 0.000 0.930 2177 V HN 0.991 nan 8.190 nan 0.000 0.499 2178 R N 3.830 124.365 120.500 0.058 0.000 2.134 2178 R HA -0.250 4.090 4.340 -0.000 0.000 0.248 2178 R C 2.321 178.603 176.300 -0.030 0.000 1.143 2178 R CA 2.666 58.779 56.100 0.022 0.000 0.957 2178 R CB -0.405 29.897 30.300 0.004 0.000 0.867 2178 R HN 0.851 nan 8.270 nan 0.000 0.441 2179 R N -0.675 119.771 120.500 -0.090 0.000 2.133 2179 R HA -0.185 4.155 4.340 -0.000 0.000 0.247 2179 R C 1.468 177.503 176.300 -0.442 0.000 1.151 2179 R CA 2.147 58.071 56.100 -0.293 0.000 0.971 2179 R CB -0.237 29.812 30.300 -0.417 0.000 0.866 2179 R HN 0.337 nan 8.270 nan 0.000 0.447 2180 F N 0.219 120.183 119.950 0.023 0.000 2.721 2180 F HA 0.265 4.792 4.527 -0.000 0.000 0.301 2180 F C 0.509 176.309 175.800 0.000 0.000 1.096 2180 F CA -0.287 57.724 58.000 0.018 0.000 1.308 2180 F CB 0.422 39.434 39.000 0.020 0.000 1.086 2180 F HN -0.271 nan 8.300 nan 0.000 0.587 2181 K N 0.742 121.223 120.400 0.135 0.000 2.416 2181 K HA 0.241 4.561 4.320 -0.000 0.000 0.283 2181 K C 1.136 177.783 176.600 0.078 0.000 1.037 2181 K CA 0.812 57.188 56.287 0.148 0.000 0.995 2181 K CB 0.363 32.943 32.500 0.132 0.000 0.938 2181 K HN 0.358 nan 8.250 nan 0.000 0.475 2182 G N 1.881 110.745 108.800 0.106 0.000 2.162 2182 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 2182 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 2182 G C 0.916 175.774 174.900 -0.070 0.000 0.976 2182 G CA 0.888 46.003 45.100 0.024 0.000 0.655 2182 G HN 0.692 nan 8.290 nan 0.000 0.533 2183 S N -0.667 114.992 115.700 -0.067 0.000 2.406 2183 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 2183 S C 2.267 176.650 174.600 -0.361 0.000 1.020 2183 S CA 1.609 59.629 58.200 -0.301 0.000 0.965 2183 S CB -0.265 62.896 63.200 -0.065 0.000 0.798 2183 S HN 0.725 nan 8.310 nan 0.000 0.488 2184 M N 1.481 121.105 119.600 0.040 0.000 2.117 2184 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 2184 M C 2.416 178.750 176.300 0.057 0.000 1.065 2184 M CA 1.984 57.403 55.300 0.199 0.000 1.114 2184 M CB -0.269 32.505 32.600 0.290 0.000 1.361 2184 M HN 0.432 nan 8.290 nan 0.000 0.408 2185 E N 0.197 120.398 120.200 0.001 0.000 2.150 2185 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 2185 E C 1.608 178.171 176.600 -0.061 0.000 0.985 2185 E CA 1.457 57.851 56.400 -0.010 0.000 0.814 2185 E CB -0.043 29.650 29.700 -0.010 0.000 0.752 2185 E HN 0.682 nan 8.360 nan 0.000 0.466 2186 E N -0.445 119.638 120.200 -0.196 0.000 2.072 2186 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 2186 E C 1.898 178.433 176.600 -0.109 0.000 0.985 2186 E CA 1.242 57.488 56.400 -0.258 0.000 0.801 2186 E CB -0.240 29.146 29.700 -0.523 0.000 0.750 2186 E HN 0.458 nan 8.360 nan 0.000 0.452 2187 W N 1.445 122.750 121.300 0.009 0.000 2.388 2187 W HA -0.149 4.511 4.660 -0.000 0.000 0.294 2187 W C 2.470 178.957 176.519 -0.053 0.000 1.212 2187 W CA 0.143 57.466 57.345 -0.037 0.000 1.271 2187 W CB -0.064 29.335 29.460 -0.101 0.000 1.126 2187 W HN 0.100 nan 8.180 nan 0.000 0.535 2188 Q N 0.441 120.340 119.800 0.164 0.000 2.050 2188 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 2188 Q C 2.508 178.558 176.000 0.082 0.000 0.980 2188 Q CA 1.752 57.608 55.803 0.088 0.000 0.840 2188 Q CB -0.637 28.136 28.738 0.058 0.000 0.898 2188 Q HN 0.305 nan 8.270 nan 0.000 0.424 2189 A N 0.623 123.481 122.820 0.064 0.000 2.019 2189 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 2189 A C 1.861 179.484 177.584 0.065 0.000 1.164 2189 A CA 1.185 53.251 52.037 0.048 0.000 0.644 2189 A CB -0.367 18.645 19.000 0.020 0.000 0.805 2189 A HN 0.308 nan 8.150 nan 0.000 0.449 2190 M N -1.252 118.410 119.600 0.104 0.000 2.561 2190 M HA 0.168 4.648 4.480 -0.000 0.000 0.238 2190 M C 1.344 177.700 176.300 0.093 0.000 1.131 2190 M CA 0.727 56.097 55.300 0.116 0.000 1.046 2190 M CB 0.180 32.900 32.600 0.200 0.000 1.532 2190 M HN 0.616 nan 8.290 nan 0.000 0.497 2191 G N 0.526 109.376 108.800 0.084 0.000 2.176 2191 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 2191 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 2191 G C 0.132 175.056 174.900 0.040 0.000 0.979 2191 G CA -0.158 44.982 45.100 0.067 0.000 0.641 2191 G HN 0.316 nan 8.290 nan 0.000 0.530 2192 V N 1.954 121.886 119.914 0.029 0.000 2.617 2192 V HA 0.154 4.274 4.120 -0.000 0.000 0.304 2192 V C 1.889 177.929 176.094 -0.091 0.000 1.040 2192 V CA 1.288 63.554 62.300 -0.056 0.000 1.149 2192 V CB 1.129 32.884 31.823 -0.113 0.000 0.914 2192 V HN 0.410 nan 8.190 nan 0.000 0.487 2193 M N 3.198 122.731 119.600 -0.112 0.000 2.287 2193 M HA 0.104 4.584 4.480 -0.000 0.000 0.266 2193 M C 0.718 176.917 176.300 -0.169 0.000 1.079 2193 M CA 1.022 56.243 55.300 -0.132 0.000 1.146 2193 M CB -0.052 32.494 32.600 -0.090 0.000 1.374 2193 M HN 0.963 nan 8.290 nan 0.000 0.435 2194 N N -1.734 116.849 118.700 -0.196 0.000 3.261 2194 N HA 0.168 4.907 4.740 -0.000 0.000 0.248 2194 N C -1.951 173.410 175.510 -0.248 0.000 1.498 2194 N CA -0.669 52.267 53.050 -0.189 0.000 0.884 2194 N CB 1.231 39.667 38.487 -0.085 0.000 1.428 2194 N HN -0.091 nan 8.380 nan 0.000 0.517 2195 Y N -0.405 119.840 120.300 -0.090 0.000 2.429 2195 Y HA 0.526 5.076 4.550 0.000 0.000 0.342 2195 Y C 0.086 175.925 175.900 -0.100 0.000 1.004 2195 Y CA -0.195 57.837 58.100 -0.114 0.000 1.075 2195 Y CB 1.737 40.112 38.460 -0.142 0.000 1.214 2195 Y HN 0.809 nan 8.280 nan 0.000 0.455 2196 E N -0.031 120.225 120.200 0.092 0.000 2.435 2196 E HA 0.534 4.884 4.350 -0.000 0.000 0.272 2196 E C -1.227 175.387 176.600 0.023 0.000 1.031 2196 E CA -0.774 55.649 56.400 0.038 0.000 0.872 2196 E CB 1.230 30.943 29.700 0.022 0.000 1.588 2196 E HN 0.469 nan 8.360 nan 0.000 0.460 2197 M N -0.337 119.273 119.600 0.018 0.000 2.414 2197 M HA 0.343 4.823 4.480 -0.000 0.000 0.357 2197 M C -0.303 176.001 176.300 0.007 0.000 1.059 2197 M CA 0.178 55.484 55.300 0.010 0.000 0.959 2197 M CB 0.693 33.304 32.600 0.019 0.000 1.522 2197 M HN 0.539 nan 8.290 nan 0.000 0.551 2198 E N -0.989 119.213 120.200 0.004 0.000 2.568 2198 E HA 0.069 4.419 4.350 -0.000 0.000 0.220 2198 E C 1.760 178.350 176.600 -0.017 0.000 0.869 2198 E CA 0.528 56.926 56.400 -0.004 0.000 1.268 2198 E CB 0.378 30.081 29.700 0.004 0.000 1.252 2198 E HN 0.305 nan 8.360 nan 0.000 0.606 2199 S N 0.932 116.623 115.700 -0.014 0.000 2.382 2199 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 2199 S C 2.226 176.810 174.600 -0.027 0.000 1.027 2199 S CA 1.031 59.218 58.200 -0.022 0.000 0.991 2199 S CB -0.316 62.873 63.200 -0.018 0.000 0.823 2199 S HN 0.233 nan 8.310 nan 0.000 0.469 2200 A N 1.857 124.665 122.820 -0.020 0.000 1.883 2200 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 2200 A C 2.473 180.048 177.584 -0.015 0.000 1.186 2200 A CA 2.283 54.314 52.037 -0.009 0.000 0.624 2200 A CB -1.785 17.217 19.000 0.003 0.000 0.822 2200 A HN 0.580 nan 8.150 nan 0.000 0.444 2201 T N 0.005 114.542 114.554 -0.028 0.000 2.674 2201 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 2201 T C 1.882 176.486 174.700 -0.160 0.000 1.039 2201 T CA 1.561 63.625 62.100 -0.060 0.000 1.150 2201 T CB -0.475 68.369 68.868 -0.040 0.000 0.864 2201 T HN 0.347 nan 8.240 nan 0.000 0.427 2202 L N 1.106 122.246 121.223 -0.139 0.000 1.970 2202 L HA -0.045 4.294 4.340 -0.000 0.000 0.212 2202 L C 2.235 178.998 176.870 -0.178 0.000 1.071 2202 L CA 1.744 56.470 54.840 -0.190 0.000 0.751 2202 L CB -0.766 41.223 42.059 -0.118 0.000 0.889 2202 L HN 0.256 nan 8.230 nan 0.000 0.432 2203 L N -1.295 119.874 121.223 -0.089 0.000 2.046 2203 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 2203 L C 2.347 179.204 176.870 -0.021 0.000 1.077 2203 L CA 1.710 56.527 54.840 -0.038 0.000 0.747 2203 L CB -1.187 40.873 42.059 0.002 0.000 0.896 2203 L HN 0.329 nan 8.230 nan 0.000 0.432 2204 T N 0.548 115.084 114.554 -0.030 0.000 2.737 2204 T HA -0.189 4.160 4.350 -0.000 0.000 0.265 2204 T C 1.869 176.466 174.700 -0.171 0.000 1.038 2204 T CA 1.790 63.894 62.100 0.007 0.000 1.144 2204 T CB -0.235 68.663 68.868 0.049 0.000 0.866 2204 T HN 0.441 nan 8.240 nan 0.000 0.434 2205 M N 0.237 119.593 119.600 -0.405 0.000 2.213 2205 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 2205 M C 2.166 178.194 176.300 -0.453 0.000 1.062 2205 M CA 1.491 56.321 55.300 -0.784 0.000 1.105 2205 M CB -1.066 30.600 32.600 -1.557 0.000 1.385 2205 M HN 0.184 nan 8.290 nan 0.000 0.417 2206 C N 1.201 120.318 119.300 -0.306 0.000 2.522 2206 C HA 0.230 4.690 4.460 -0.000 0.000 0.280 2206 C C 3.267 178.230 174.990 -0.045 0.000 1.303 2206 C CA 0.856 59.770 59.018 -0.172 0.000 1.709 2206 C CB -1.002 26.658 27.740 -0.134 0.000 2.071 2206 C HN 0.758 nan 8.230 nan 0.000 0.492 2207 A N 1.041 123.872 122.820 0.018 0.000 2.019 2207 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 2207 A C 2.104 179.778 177.584 0.150 0.000 1.164 2207 A CA 2.100 54.228 52.037 0.152 0.000 0.644 2207 A CB -0.554 18.627 19.000 0.302 0.000 0.805 2207 A HN 0.711 nan 8.150 nan 0.000 0.449 2208 S N -1.910 113.740 115.700 -0.083 0.000 2.577 2208 S HA 0.193 4.663 4.470 -0.000 0.000 0.219 2208 S C 0.832 175.370 174.600 -0.103 0.000 0.962 2208 S CA 0.117 58.162 58.200 -0.258 0.000 0.921 2208 S CB 0.085 62.903 63.200 -0.638 0.000 0.789 2208 S HN 0.631 nan 8.310 nan 0.000 0.497 2209 Q N 0.326 120.098 119.800 -0.047 0.000 2.086 2209 Q HA 0.350 4.690 4.340 -0.000 0.000 0.220 2209 Q C 0.687 176.700 176.000 0.022 0.000 0.792 2209 Q CA 0.033 55.830 55.803 -0.010 0.000 1.062 2209 Q CB 1.043 29.770 28.738 -0.020 0.000 1.198 2209 Q HN 0.619 nan 8.270 nan 0.000 0.466 2210 G N 1.456 110.279 108.800 0.039 0.000 2.160 2210 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.251 2210 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.251 2210 G C -0.072 174.871 174.900 0.071 0.000 1.008 2210 G CA 0.219 45.353 45.100 0.058 0.000 0.724 2210 G HN 0.271 nan 8.290 nan 0.000 0.514 2211 L N -0.271 120.996 121.223 0.075 0.000 2.325 2211 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 2211 L C 0.959 177.909 176.870 0.133 0.000 1.023 2211 L CA -1.106 53.812 54.840 0.131 0.000 0.811 2211 L CB 1.317 43.469 42.059 0.155 0.000 1.249 2211 L HN 0.056 nan 8.230 nan 0.000 0.431 2212 R N 1.997 122.596 120.500 0.165 0.000 2.297 2212 R HA 0.739 5.079 4.340 -0.000 0.000 0.308 2212 R C -0.672 175.737 176.300 0.182 0.000 1.029 2212 R CA -0.445 55.736 56.100 0.135 0.000 0.929 2212 R CB 1.501 31.855 30.300 0.092 0.000 1.046 2212 R HN 0.704 nan 8.270 nan 0.000 0.461 2213 A N 1.511 124.405 122.820 0.124 0.000 2.475 2213 A HA 0.846 5.166 4.320 -0.000 0.000 0.301 2213 A C -0.729 176.897 177.584 0.070 0.000 1.059 2213 A CA -0.643 51.465 52.037 0.118 0.000 0.710 2213 A CB 2.274 21.310 19.000 0.059 0.000 1.288 2213 A HN 0.767 nan 8.150 nan 0.000 0.408 2214 G N -0.237 108.601 108.800 0.063 0.000 2.690 2214 G HA2 0.670 4.630 3.960 -0.000 0.000 0.291 2214 G HA3 0.670 4.630 3.960 -0.000 0.000 0.291 2214 G C -1.251 173.667 174.900 0.030 0.000 1.403 2214 G CA -0.387 44.733 45.100 0.033 0.000 0.864 2214 G HN 1.151 nan 8.290 nan 0.000 0.480 2215 M N 1.222 120.832 119.600 0.016 0.000 2.365 2215 M HA 0.664 5.144 4.480 -0.000 0.000 0.287 2215 M C -2.025 174.281 176.300 0.010 0.000 1.154 2215 M CA -0.826 54.483 55.300 0.016 0.000 0.941 2215 M CB 2.295 34.903 32.600 0.012 0.000 1.704 2215 M HN 0.704 nan 8.290 nan 0.000 0.479 2216 V N 3.903 123.824 119.914 0.012 0.000 2.876 2216 V HA 1.043 5.163 4.120 -0.000 0.000 0.312 2216 V C -1.596 174.507 176.094 0.015 0.000 1.085 2216 V CA -0.001 62.306 62.300 0.011 0.000 0.945 2216 V CB 2.005 33.833 31.823 0.008 0.000 1.017 2216 V HN 1.078 nan 8.190 nan 0.000 0.428 2217 A N 3.743 126.574 122.820 0.019 0.000 2.520 2217 A HA 0.876 5.196 4.320 -0.000 0.000 0.298 2217 A C -0.257 177.342 177.584 0.026 0.000 1.051 2217 A CA -0.126 51.923 52.037 0.020 0.000 0.690 2217 A CB 1.779 20.789 19.000 0.016 0.000 1.281 2217 A HN 1.610 nan 8.150 nan 0.000 0.402 2218 G N 0.221 109.034 108.800 0.022 0.000 2.338 2218 G HA2 0.519 4.479 3.960 -0.000 0.000 0.298 2218 G HA3 0.519 4.479 3.960 -0.000 0.000 0.298 2218 G C -0.449 174.462 174.900 0.018 0.000 1.140 2218 G CA -0.328 44.786 45.100 0.023 0.000 0.860 2218 G HN 0.928 nan 8.290 nan 0.000 0.470 2219 V N 3.968 123.897 119.914 0.025 0.000 2.427 2219 V HA 0.109 4.229 4.120 -0.000 0.000 0.268 2219 V C 1.297 177.395 176.094 0.006 0.000 1.046 2219 V CA 0.067 62.377 62.300 0.018 0.000 0.970 2219 V CB 0.519 32.359 31.823 0.028 0.000 1.001 2219 V HN 0.770 nan 8.190 nan 0.000 0.476 2220 I N 3.588 124.160 120.570 0.003 0.000 4.187 2220 I HA 0.387 4.557 4.170 -0.000 0.000 0.326 2220 I C 0.229 176.347 176.117 0.003 0.000 1.302 2220 I CA 0.065 61.364 61.300 -0.001 0.000 1.196 2220 I CB 0.840 38.839 38.000 -0.002 0.000 1.095 2220 I HN 0.406 nan 8.210 nan 0.000 0.411 2221 V N -0.964 118.953 119.914 0.005 0.000 3.188 2221 V HA 0.611 4.731 4.120 -0.000 0.000 0.305 2221 V C -1.311 174.782 176.094 -0.003 0.000 1.232 2221 V CA -0.728 61.575 62.300 0.006 0.000 1.043 2221 V CB 1.690 33.522 31.823 0.015 0.000 1.068 2221 V HN 0.291 nan 8.190 nan 0.000 0.439 2222 N N 1.103 119.801 118.700 -0.003 0.000 2.629 2222 N HA 0.257 4.997 4.740 -0.000 0.000 0.277 2222 N C 0.857 176.366 175.510 -0.002 0.000 1.188 2222 N CA -0.316 52.726 53.050 -0.014 0.000 0.835 2222 N CB 2.061 40.531 38.487 -0.029 0.000 1.420 2222 N HN 0.915 nan 8.380 nan 0.000 0.542 2223 R N 0.643 121.147 120.500 0.007 0.000 2.127 2223 R HA -0.105 4.234 4.340 -0.000 0.000 0.238 2223 R C 1.192 177.504 176.300 0.020 0.000 1.134 2223 R CA 2.040 58.151 56.100 0.019 0.000 0.975 2223 R CB -0.912 29.405 30.300 0.029 0.000 0.865 2223 R HN 0.454 nan 8.270 nan 0.000 0.447 2224 T N -2.080 112.480 114.554 0.011 0.000 3.072 2224 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 2224 T C 0.859 175.564 174.700 0.008 0.000 1.127 2224 T CA 0.376 62.483 62.100 0.011 0.000 1.107 2224 T CB 0.044 68.912 68.868 -0.000 0.000 0.910 2224 T HN 0.360 nan 8.240 nan 0.000 0.513 2235 K N 0.125 120.484 120.400 -0.069 0.000 2.141 2235 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 2235 K C 1.389 177.917 176.600 -0.120 0.000 1.045 2235 K CA 1.598 57.841 56.287 -0.074 0.000 0.971 2235 K CB 0.130 32.597 32.500 -0.056 0.000 0.795 2235 K HN 0.386 nan 8.250 nan 0.000 0.459 2236 Q N 0.561 120.259 119.800 -0.170 0.000 2.061 2236 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 2236 Q C 2.003 177.679 176.000 -0.540 0.000 0.984 2236 Q CA 2.557 58.156 55.803 -0.340 0.000 0.846 2236 Q CB -1.048 27.490 28.738 -0.334 0.000 0.902 2236 Q HN 0.274 nan 8.270 nan 0.000 0.421 2237 T N 1.196 115.547 114.554 -0.338 0.000 2.597 2237 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 2237 T C 1.596 176.224 174.700 -0.120 0.000 1.053 2237 T CA 1.608 63.578 62.100 -0.218 0.000 1.165 2237 T CB -0.356 68.455 68.868 -0.095 0.000 0.863 2237 T HN 0.322 nan 8.240 nan 0.000 0.427 2238 E N 0.740 120.887 120.200 -0.089 0.000 2.013 2238 E HA -0.162 4.188 4.350 -0.000 0.000 0.202 2238 E C 2.668 179.258 176.600 -0.018 0.000 1.018 2238 E CA 1.609 57.984 56.400 -0.041 0.000 0.834 2238 E CB -0.274 29.400 29.700 -0.042 0.000 0.770 2238 E HN 0.372 nan 8.360 nan 0.000 0.459 2239 S N -0.186 115.495 115.700 -0.032 0.000 2.381 2239 S HA -0.246 4.224 4.470 -0.000 0.000 0.230 2239 S C 1.679 176.348 174.600 0.116 0.000 1.052 2239 S CA 1.594 59.807 58.200 0.023 0.000 1.068 2239 S CB -0.690 62.523 63.200 0.022 0.000 0.918 2239 S HN 0.410 nan 8.310 nan 0.000 0.448 2240 H N 0.832 119.893 119.070 -0.016 0.000 2.290 2240 H HA -0.098 4.458 4.556 -0.000 0.000 0.298 2240 H C 2.608 177.926 175.328 -0.016 0.000 1.087 2240 H CA 0.911 56.949 56.048 -0.016 0.000 1.291 2240 H CB -0.291 29.462 29.762 -0.014 0.000 1.369 2240 H HN 0.474 nan 8.280 nan 0.000 0.492 2241 A N 0.778 123.673 122.820 0.125 0.000 1.892 2241 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 2241 A C 2.691 180.296 177.584 0.035 0.000 1.188 2241 A CA 1.934 54.005 52.037 0.058 0.000 0.631 2241 A CB -0.958 18.063 19.000 0.035 0.000 0.822 2241 A HN 0.217 nan 8.150 nan 0.000 0.447 2242 V N 0.037 119.969 119.914 0.029 0.000 2.343 2242 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 2242 V C 2.450 178.549 176.094 0.009 0.000 1.051 2242 V CA 2.396 64.701 62.300 0.010 0.000 1.036 2242 V CB -0.706 31.116 31.823 -0.002 0.000 0.654 2242 V HN 0.570 nan 8.190 nan 0.000 0.451 2243 K N -0.146 120.267 120.400 0.023 0.000 2.057 2243 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 2243 K C 2.057 178.653 176.600 -0.007 0.000 1.049 2243 K CA 1.597 57.888 56.287 0.007 0.000 0.931 2243 K CB -0.325 32.181 32.500 0.010 0.000 0.714 2243 K HN 0.378 nan 8.250 nan 0.000 0.440 2244 I N 0.485 121.054 120.570 -0.002 0.000 2.179 2244 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 2244 I C 2.380 178.489 176.117 -0.013 0.000 1.088 2244 I CA 0.967 62.259 61.300 -0.013 0.000 1.357 2244 I CB -0.253 37.743 38.000 -0.007 0.000 1.051 2244 I HN 0.002 nan 8.210 nan 0.000 0.409 2245 V N 0.330 120.241 119.914 -0.005 0.000 2.515 2245 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 2245 V C 2.316 178.404 176.094 -0.011 0.000 1.058 2245 V CA 1.593 63.889 62.300 -0.006 0.000 1.064 2245 V CB 0.171 31.995 31.823 0.001 0.000 0.675 2245 V HN 0.217 nan 8.190 nan 0.000 0.461 2246 V N -0.016 119.891 119.914 -0.012 0.000 2.379 2246 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 2246 V C 2.519 178.603 176.094 -0.017 0.000 1.044 2246 V CA 2.110 64.401 62.300 -0.014 0.000 1.036 2246 V CB -0.599 31.215 31.823 -0.014 0.000 0.664 2246 V HN 0.639 nan 8.190 nan 0.000 0.453 2247 E N 0.976 121.164 120.200 -0.020 0.000 2.077 2247 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 2247 E C 2.124 178.708 176.600 -0.027 0.000 0.989 2247 E CA 1.660 58.046 56.400 -0.024 0.000 0.800 2247 E CB -0.477 29.206 29.700 -0.029 0.000 0.746 2247 E HN 0.492 nan 8.360 nan 0.000 0.452 2248 A N 0.888 123.691 122.820 -0.028 0.000 1.877 2248 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 2248 A C 2.476 180.042 177.584 -0.030 0.000 1.186 2248 A CA 2.146 54.163 52.037 -0.033 0.000 0.620 2248 A CB -1.120 17.860 19.000 -0.032 0.000 0.822 2248 A HN 0.380 nan 8.150 nan 0.000 0.443 2249 A N -0.435 122.370 122.820 -0.025 0.000 1.948 2249 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 2249 A C 2.218 179.787 177.584 -0.025 0.000 1.177 2249 A CA 1.921 53.943 52.037 -0.025 0.000 0.636 2249 A CB -0.490 18.497 19.000 -0.022 0.000 0.815 2249 A HN 0.534 nan 8.150 nan 0.000 0.449 2250 R N -0.692 119.795 120.500 -0.023 0.000 2.096 2250 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 2250 R C 2.096 178.383 176.300 -0.022 0.000 1.127 2250 R CA 1.639 57.726 56.100 -0.021 0.000 0.968 2250 R CB -0.154 30.135 30.300 -0.019 0.000 0.861 2250 R HN 0.541 nan 8.270 nan 0.000 0.440 2251 R N -0.392 120.092 120.500 -0.026 0.000 2.299 2251 R HA 0.051 4.391 4.340 -0.000 0.000 0.197 2251 R C 1.092 177.375 176.300 -0.028 0.000 0.971 2251 R CA 0.531 56.614 56.100 -0.028 0.000 1.030 2251 R CB 0.275 30.553 30.300 -0.036 0.000 0.932 2251 R HN 0.211 nan 8.270 nan 0.000 0.477 2252 L N 0.003 121.210 121.223 -0.028 0.000 2.766 2252 L HA 0.258 4.598 4.340 -0.000 0.000 0.242 2252 L C 0.302 177.158 176.870 -0.024 0.000 1.136 2252 L CA -0.234 54.591 54.840 -0.026 0.000 0.933 2252 L CB 0.256 42.297 42.059 -0.029 0.000 1.241 2252 L HN 0.034 nan 8.230 nan 0.000 0.522 2253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502