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 3c74_1_B 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 RTQQEIPNXX XXXXXESHAV 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 0.000 176.596 176.600 -0.007 0.000 0.988 2003 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 2003 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 2004 S N 0.260 115.954 115.700 -0.010 0.000 2.584 2004 S HA 0.403 4.880 4.470 0.012 0.000 0.280 2004 S C -1.251 173.348 174.600 -0.002 0.000 1.162 2004 S CA -0.104 58.086 58.200 -0.017 0.000 0.951 2004 S CB 1.592 64.760 63.200 -0.053 0.000 1.108 2004 S HN 0.233 nan 8.310 nan 0.000 0.464 2005 D N 1.686 122.088 120.400 0.003 0.000 2.333 2005 D HA 0.107 4.754 4.640 0.012 0.000 0.208 2005 D C 0.921 177.237 176.300 0.027 0.000 0.984 2005 D CA 1.075 55.083 54.000 0.014 0.000 0.873 2005 D CB 0.668 41.476 40.800 0.012 0.000 0.935 2005 D HN 0.505 nan 8.370 nan 0.000 0.521 2006 V N -1.867 118.061 119.914 0.023 0.000 2.864 2006 V HA 0.354 4.481 4.120 0.012 0.000 0.314 2006 V C 0.657 176.780 176.094 0.048 0.000 1.073 2006 V CA -0.939 61.390 62.300 0.048 0.000 0.956 2006 V CB 1.753 33.597 31.823 0.035 0.000 1.023 2006 V HN -0.154 nan 8.190 nan 0.000 0.435 2007 F N 1.292 121.185 119.950 -0.096 0.000 2.512 2007 F HA 0.193 4.727 4.527 0.011 0.000 0.296 2007 F C 1.631 177.205 175.800 -0.378 0.000 1.110 2007 F CA 1.793 59.651 58.000 -0.236 0.000 1.446 2007 F CB -0.074 38.757 39.000 -0.282 0.000 1.092 2007 F HN 0.831 nan 8.300 nan 0.000 0.554 2008 H N -1.399 117.530 119.070 -0.236 0.000 2.501 2008 H HA 0.251 4.815 4.556 0.012 0.000 0.281 2008 H C 2.038 177.232 175.328 -0.224 0.000 0.988 2008 H CA 0.944 56.812 56.048 -0.300 0.000 1.232 2008 H CB -0.087 29.545 29.762 -0.217 0.000 1.455 2008 H HN 0.098 nan 8.280 nan 0.000 0.501 2009 L N -0.302 120.858 121.223 -0.106 0.000 2.240 2009 L HA 0.136 4.483 4.340 0.012 0.000 0.211 2009 L C 1.104 177.997 176.870 0.039 0.000 1.106 2009 L CA 0.761 55.573 54.840 -0.046 0.000 0.793 2009 L CB -0.245 41.760 42.059 -0.089 0.000 0.927 2009 L HN 0.556 nan 8.230 nan 0.000 0.446 2010 G N 1.197 109.930 108.800 -0.112 0.000 2.225 2010 G HA2 -0.258 3.709 3.960 0.012 0.000 0.264 2010 G HA3 -0.258 3.709 3.960 0.012 0.000 0.264 2010 G C -0.223 174.681 174.900 0.008 0.000 1.060 2010 G CA -0.021 44.993 45.100 -0.143 0.000 0.833 2010 G HN 0.222 nan 8.290 nan 0.000 0.498 2011 L N 0.103 121.325 121.223 -0.002 0.000 2.333 2011 L HA 0.834 5.181 4.340 0.012 0.000 0.269 2011 L C 0.867 177.739 176.870 0.002 0.000 1.010 2011 L CA -0.587 54.260 54.840 0.012 0.000 0.818 2011 L CB 2.293 44.363 42.059 0.019 0.000 1.306 2011 L HN 0.353 nan 8.230 nan 0.000 0.430 2012 T N -3.082 111.473 114.554 0.003 0.000 2.952 2012 T HA 0.289 4.646 4.350 0.012 0.000 0.286 2012 T C 0.667 175.369 174.700 0.003 0.000 1.024 2012 T CA -0.832 61.269 62.100 0.002 0.000 1.029 2012 T CB 2.001 70.869 68.868 -0.001 0.000 1.094 2012 T HN 0.620 nan 8.240 nan 0.000 0.515 2013 K N 0.526 120.929 120.400 0.004 0.000 2.152 2013 K HA -0.192 4.135 4.320 0.012 0.000 0.206 2013 K C 2.023 178.622 176.600 -0.001 0.000 1.048 2013 K CA 1.608 57.897 56.287 0.003 0.000 0.933 2013 K CB -0.286 32.217 32.500 0.004 0.000 0.721 2013 K HN 0.646 nan 8.250 nan 0.000 0.447 2014 N N 1.053 119.752 118.700 -0.002 0.000 2.166 2014 N HA -0.151 4.596 4.740 0.012 0.000 0.186 2014 N C 1.100 176.605 175.510 -0.008 0.000 1.019 2014 N CA 1.568 54.615 53.050 -0.005 0.000 0.856 2014 N CB -0.033 38.451 38.487 -0.005 0.000 0.993 2014 N HN 0.188 nan 8.380 nan 0.000 0.426 2015 D N -0.260 120.136 120.400 -0.008 0.000 2.182 2015 D HA -0.126 4.521 4.640 0.012 0.000 0.201 2015 D C 1.592 177.887 176.300 -0.010 0.000 0.986 2015 D CA 0.703 54.696 54.000 -0.012 0.000 0.847 2015 D CB -0.091 40.702 40.800 -0.010 0.000 0.942 2015 D HN 0.277 nan 8.370 nan 0.000 0.467 2016 L N -0.010 121.210 121.223 -0.005 0.000 2.313 2016 L HA -0.023 4.324 4.340 0.012 0.000 0.214 2016 L C 1.224 178.090 176.870 -0.006 0.000 1.119 2016 L CA 0.678 55.516 54.840 -0.004 0.000 0.809 2016 L CB -0.407 41.648 42.059 -0.006 0.000 0.933 2016 L HN 0.030 nan 8.230 nan 0.000 0.449 2017 Q N -0.445 119.351 119.800 -0.007 0.000 2.481 2017 Q HA -0.276 4.071 4.340 0.012 0.000 0.272 2017 Q C 0.932 176.928 176.000 -0.007 0.000 1.157 2017 Q CA 0.447 56.246 55.803 -0.007 0.000 0.935 2017 Q CB -1.304 27.430 28.738 -0.006 0.000 1.338 2017 Q HN 0.639 nan 8.270 nan 0.000 0.494 2018 G N -2.845 105.950 108.800 -0.009 0.000 2.159 2018 G HA2 -0.177 3.790 3.960 0.012 0.000 0.227 2018 G HA3 -0.177 3.790 3.960 0.012 0.000 0.227 2018 G C 0.149 175.038 174.900 -0.019 0.000 0.986 2018 G CA 0.043 45.136 45.100 -0.012 0.000 0.651 2018 G HN 1.181 nan 8.290 nan 0.000 0.523 2019 A N -0.202 122.605 122.820 -0.021 0.000 2.511 2019 A HA 0.587 4.914 4.320 0.012 0.000 0.242 2019 A C 1.002 178.553 177.584 -0.054 0.000 1.069 2019 A CA 1.359 53.376 52.037 -0.033 0.000 0.763 2019 A CB 0.234 19.216 19.000 -0.029 0.000 1.001 2019 A HN 0.565 nan 8.150 nan 0.000 0.498 2020 Q N 0.836 120.593 119.800 -0.071 0.000 2.140 2020 Q HA 0.361 4.708 4.340 0.012 0.000 0.227 2020 Q C -0.643 175.263 176.000 -0.157 0.000 0.798 2020 Q CA 0.018 55.763 55.803 -0.097 0.000 0.987 2020 Q CB 0.786 29.485 28.738 -0.064 0.000 1.161 2020 Q HN 0.722 nan 8.270 nan 0.000 0.480 2021 L N 0.549 121.680 121.223 -0.153 0.000 2.408 2021 L HA 0.833 5.180 4.340 0.012 0.000 0.268 2021 L C -1.816 174.944 176.870 -0.184 0.000 0.986 2021 L CA -0.694 54.030 54.840 -0.192 0.000 0.820 2021 L CB 1.847 43.839 42.059 -0.113 0.000 1.303 2021 L HN -0.069 nan 8.230 nan 0.000 0.411 2022 A N 5.374 128.041 122.820 -0.255 0.000 2.371 2022 A HA 0.736 5.063 4.320 0.012 0.000 0.311 2022 A C -1.083 176.484 177.584 -0.028 0.000 1.068 2022 A CA -0.526 51.435 52.037 -0.128 0.000 0.744 2022 A CB 1.164 20.086 19.000 -0.129 0.000 1.239 2022 A HN 0.642 nan 8.150 nan 0.000 0.435 2023 I N 2.421 123.005 120.570 0.023 0.000 2.331 2023 I HA 0.373 4.550 4.170 0.012 0.000 0.292 2023 I C -0.178 175.991 176.117 0.087 0.000 0.998 2023 I CA -0.645 60.685 61.300 0.051 0.000 1.267 2023 I CB 1.794 39.812 38.000 0.030 0.000 1.386 2023 I HN 0.447 nan 8.210 nan 0.000 0.476 2024 V N 5.436 125.415 119.914 0.108 0.000 2.266 2024 V HA 0.463 4.590 4.120 0.012 0.000 0.266 2024 V C -2.473 173.672 176.094 0.085 0.000 1.036 2024 V CA -1.784 60.591 62.300 0.124 0.000 0.828 2024 V CB 0.050 31.980 31.823 0.178 0.000 1.081 2024 V HN 0.464 nan 8.190 nan 0.000 0.449 2025 P HA 0.332 nan 4.420 nan 0.000 0.279 2025 P C 0.925 178.251 177.300 0.044 0.000 1.282 2025 P CA 0.348 63.473 63.100 0.042 0.000 0.788 2025 P CB 1.617 33.330 31.700 0.023 0.000 1.139 2026 G N -1.172 107.641 108.800 0.022 0.000 2.576 2026 G HA2 -0.025 3.942 3.960 0.012 0.000 0.210 2026 G HA3 -0.025 3.942 3.960 0.012 0.000 0.210 2026 G C 0.185 175.079 174.900 -0.009 0.000 1.143 2026 G CA 0.353 45.460 45.100 0.010 0.000 0.819 2026 G HN 0.469 nan 8.290 nan 0.000 0.534 2027 D N 0.436 120.828 120.400 -0.013 0.000 2.313 2027 D HA 0.316 4.963 4.640 0.012 0.000 0.239 2027 D C -1.449 174.841 176.300 -0.017 0.000 1.142 2027 D CA -2.276 51.709 54.000 -0.026 0.000 0.847 2027 D CB 2.177 42.958 40.800 -0.032 0.000 1.082 2027 D HN -0.066 nan 8.370 nan 0.000 0.480 2028 P HA -0.108 nan 4.420 nan 0.000 0.216 2028 P C 0.705 178.005 177.300 0.000 0.000 1.150 2028 P CA 1.086 64.188 63.100 0.004 0.000 0.837 2028 P CB 0.365 32.057 31.700 -0.012 0.000 0.786 2029 E N -0.866 119.322 120.200 -0.020 0.000 2.268 2029 E HA -0.137 4.220 4.350 0.012 0.000 0.195 2029 E C 2.100 178.665 176.600 -0.058 0.000 0.995 2029 E CA 0.531 56.912 56.400 -0.031 0.000 0.836 2029 E CB -0.298 29.382 29.700 -0.033 0.000 0.763 2029 E HN 0.157 nan 8.360 nan 0.000 0.491 2030 R N 0.378 120.844 120.500 -0.057 0.000 2.276 2030 R HA -0.003 4.344 4.340 0.012 0.000 0.196 2030 R C 1.791 178.026 176.300 -0.108 0.000 0.961 2030 R CA 0.130 56.185 56.100 -0.074 0.000 1.024 2030 R CB 0.277 30.547 30.300 -0.049 0.000 0.940 2030 R HN 0.018 nan 8.270 nan 0.000 0.480 2031 V N 1.000 120.852 119.914 -0.103 0.000 2.295 2031 V HA -0.262 3.865 4.120 0.012 0.000 0.246 2031 V C 2.229 178.098 176.094 -0.376 0.000 1.049 2031 V CA 2.234 64.453 62.300 -0.134 0.000 1.024 2031 V CB -0.461 31.359 31.823 -0.005 0.000 0.648 2031 V HN 0.462 nan 8.190 nan 0.000 0.447 2032 E N 0.388 120.244 120.200 -0.573 0.000 2.085 2032 E HA -0.262 4.095 4.350 0.012 0.000 0.194 2032 E C 2.208 178.425 176.600 -0.638 0.000 0.994 2032 E CA 1.421 57.200 56.400 -1.035 0.000 0.801 2032 E CB -0.050 29.183 29.700 -0.779 0.000 0.743 2032 E HN 0.600 nan 8.360 nan 0.000 0.453 2033 K N 0.038 120.224 120.400 -0.357 0.000 2.211 2033 K HA -0.099 4.228 4.320 0.012 0.000 0.203 2033 K C 2.196 178.683 176.600 -0.188 0.000 1.050 2033 K CA 1.090 57.239 56.287 -0.231 0.000 0.945 2033 K CB -0.047 32.362 32.500 -0.151 0.000 0.732 2033 K HN 0.297 nan 8.250 nan 0.000 0.451 2034 I N 1.200 121.659 120.570 -0.184 0.000 2.233 2034 I HA -0.187 3.990 4.170 0.012 0.000 0.243 2034 I C 2.556 178.604 176.117 -0.115 0.000 1.093 2034 I CA 0.893 62.122 61.300 -0.118 0.000 1.380 2034 I CB -0.394 37.558 38.000 -0.080 0.000 1.067 2034 I HN 0.068 nan 8.210 nan 0.000 0.413 2035 A N 0.852 123.569 122.820 -0.171 0.000 2.019 2035 A HA -0.111 4.216 4.320 0.012 0.000 0.219 2035 A C 2.459 179.987 177.584 -0.094 0.000 1.164 2035 A CA 1.638 53.614 52.037 -0.101 0.000 0.644 2035 A CB -0.723 18.230 19.000 -0.077 0.000 0.805 2035 A HN 0.432 nan 8.150 nan 0.000 0.449 2036 A N -1.031 121.682 122.820 -0.178 0.000 2.121 2036 A HA 0.098 4.425 4.320 0.012 0.000 0.218 2036 A C 1.635 179.183 177.584 -0.060 0.000 1.154 2036 A CA 1.183 53.149 52.037 -0.118 0.000 0.679 2036 A CB -0.337 18.568 19.000 -0.157 0.000 0.795 2036 A HN 0.371 nan 8.150 nan 0.000 0.458 2037 L N -1.082 120.107 121.223 -0.057 0.000 2.599 2037 L HA 0.250 4.597 4.340 0.012 0.000 0.230 2037 L C 0.886 177.747 176.870 -0.015 0.000 1.141 2037 L CA 0.879 55.699 54.840 -0.033 0.000 0.877 2037 L CB -0.607 41.431 42.059 -0.034 0.000 1.009 2037 L HN 0.395 nan 8.230 nan 0.000 0.447 2038 M N -1.992 117.604 119.600 -0.006 0.000 2.819 2038 M HA 0.327 4.814 4.480 0.012 0.000 0.300 2038 M C -0.689 175.625 176.300 0.023 0.000 1.237 2038 M CA -1.030 54.276 55.300 0.010 0.000 0.813 2038 M CB 1.289 33.899 32.600 0.016 0.000 1.755 2038 M HN -0.260 nan 8.290 nan 0.000 0.484 2039 D N 1.415 121.831 120.400 0.027 0.000 2.345 2039 D HA 0.161 4.808 4.640 0.012 0.000 0.247 2039 D C -0.466 175.863 176.300 0.049 0.000 1.108 2039 D CA 0.186 54.205 54.000 0.031 0.000 0.894 2039 D CB 0.545 41.358 40.800 0.022 0.000 1.203 2039 D HN 0.419 nan 8.370 nan 0.000 0.430 2040 K N 0.096 120.527 120.400 0.052 0.000 3.451 2040 K HA -0.137 4.190 4.320 0.012 0.000 0.273 2040 K C -2.343 174.318 176.600 0.102 0.000 0.944 2040 K CA 0.069 56.394 56.287 0.063 0.000 0.734 2040 K CB -1.174 31.350 32.500 0.041 0.000 1.437 2040 K HN 0.382 nan 8.250 nan 0.000 0.454 2041 P HA 0.133 nan 4.420 nan 0.000 0.276 2041 P C -0.429 177.065 177.300 0.323 0.000 1.235 2041 P CA -0.140 63.149 63.100 0.315 0.000 0.772 2041 P CB 1.273 33.182 31.700 0.349 0.000 0.871 2042 V N 3.971 123.986 119.914 0.169 0.000 2.577 2042 V HA 0.276 4.403 4.120 0.012 0.000 0.303 2042 V C 0.435 176.063 176.094 -0.777 0.000 1.042 2042 V CA -0.942 61.215 62.300 -0.239 0.000 0.872 2042 V CB 2.005 33.747 31.823 -0.136 0.000 0.998 2042 V HN 0.487 nan 8.190 nan 0.000 0.423 2043 K N 3.311 122.798 120.400 -1.520 0.000 2.412 2043 K HA 0.370 4.697 4.320 0.012 0.000 0.281 2043 K C 0.104 176.282 176.600 -0.703 0.000 1.027 2043 K CA -0.073 55.199 56.287 -1.690 0.000 0.989 2043 K CB 0.722 32.426 32.500 -1.327 0.000 0.935 2043 K HN 0.631 nan 8.250 nan 0.000 0.475 2044 L N 2.662 123.591 121.223 -0.491 0.000 2.416 2044 L HA 0.347 4.694 4.340 0.012 0.000 0.188 2044 L C 0.457 177.246 176.870 -0.134 0.000 1.145 2044 L CA 0.190 54.899 54.840 -0.218 0.000 0.826 2044 L CB 0.183 42.178 42.059 -0.106 0.000 1.064 2044 L HN 0.728 nan 8.230 nan 0.000 0.490 2045 A N -1.195 121.577 122.820 -0.080 0.000 2.609 2045 A HA 0.669 4.996 4.320 0.012 0.000 0.291 2045 A C -1.114 176.452 177.584 -0.030 0.000 1.096 2045 A CA -0.277 51.745 52.037 -0.024 0.000 0.684 2045 A CB 1.844 20.919 19.000 0.124 0.000 1.282 2045 A HN -0.075 nan 8.150 nan 0.000 0.412 2046 S N 0.677 116.267 115.700 -0.184 0.000 2.511 2046 S HA 0.543 5.020 4.470 0.012 0.000 0.233 2046 S C -1.680 172.684 174.600 -0.394 0.000 1.104 2046 S CA -0.484 57.623 58.200 -0.156 0.000 1.129 2046 S CB 0.033 63.173 63.200 -0.100 0.000 1.159 2046 S HN 0.694 nan 8.310 nan 0.000 0.451 2047 H N 3.604 122.734 119.070 0.101 0.000 2.689 2047 H HA 0.540 5.102 4.556 0.012 0.000 0.346 2047 H C 0.645 176.042 175.328 0.116 0.000 1.037 2047 H CA -0.518 55.585 56.048 0.092 0.000 1.234 2047 H CB 1.530 31.343 29.762 0.085 0.000 1.572 2047 H HN 0.714 nan 8.280 nan 0.000 0.524 2048 R N 0.611 121.186 120.500 0.124 0.000 3.853 2048 R HA -0.231 4.116 4.340 0.012 0.000 0.440 2048 R C 0.972 177.181 176.300 -0.152 0.000 0.241 2048 R CA 1.910 58.003 56.100 -0.012 0.000 1.395 2048 R CB -0.798 29.505 30.300 0.005 0.000 0.984 2048 R HN 0.764 nan 8.270 nan 0.000 0.570 2049 E N 1.941 121.875 120.200 -0.443 0.000 2.403 2049 E HA 0.049 4.406 4.350 0.012 0.000 0.188 2049 E C -0.430 175.853 176.600 -0.528 0.000 1.056 2049 E CA 0.459 56.560 56.400 -0.498 0.000 0.892 2049 E CB 0.157 29.534 29.700 -0.537 0.000 1.049 2049 E HN 0.287 nan 8.360 nan 0.000 0.465 2050 F N 1.425 121.409 119.950 0.056 0.000 2.311 2050 F HA 0.312 4.845 4.527 0.011 0.000 0.371 2050 F C 0.043 175.892 175.800 0.080 0.000 1.083 2050 F CA -0.739 57.305 58.000 0.073 0.000 1.113 2050 F CB 1.611 40.665 39.000 0.091 0.000 1.349 2050 F HN -0.311 nan 8.300 nan 0.000 0.470 2051 T N 1.966 116.653 114.554 0.222 0.000 2.758 2051 T HA 0.508 4.865 4.350 0.012 0.000 0.285 2051 T C -0.162 174.690 174.700 0.253 0.000 0.981 2051 T CA -0.738 61.484 62.100 0.204 0.000 0.965 2051 T CB 0.945 69.920 68.868 0.178 0.000 0.927 2051 T HN 0.508 nan 8.240 nan 0.000 0.448 2052 S N 2.427 118.269 115.700 0.236 0.000 2.500 2052 S HA 0.755 5.232 4.470 0.012 0.000 0.301 2052 S C -1.488 173.251 174.600 0.232 0.000 1.092 2052 S CA -0.989 57.348 58.200 0.228 0.000 1.030 2052 S CB 1.154 64.442 63.200 0.146 0.000 1.031 2052 S HN 0.669 nan 8.310 nan 0.000 0.483 2053 W N 1.313 122.632 121.300 0.032 0.000 2.844 2053 W HA 0.622 5.289 4.660 0.011 0.000 0.340 2053 W C 0.156 176.683 176.519 0.014 0.000 1.093 2053 W CA -0.786 56.571 57.345 0.019 0.000 1.212 2053 W CB 1.962 31.430 29.460 0.014 0.000 1.422 2053 W HN 0.722 nan 8.180 nan 0.000 0.515 2054 R N 1.947 122.555 120.500 0.181 0.000 2.460 2054 R HA 0.862 5.209 4.340 0.012 0.000 0.303 2054 R C -0.589 175.805 176.300 0.156 0.000 0.968 2054 R CA -0.293 55.880 56.100 0.121 0.000 0.889 2054 R CB 1.233 31.556 30.300 0.038 0.000 1.123 2054 R HN 0.618 nan 8.270 nan 0.000 0.455 2055 A N 3.065 125.955 122.820 0.116 0.000 2.504 2055 A HA 0.569 4.896 4.320 0.012 0.000 0.285 2055 A C -1.374 176.242 177.584 0.054 0.000 1.261 2055 A CA -0.723 51.373 52.037 0.098 0.000 0.741 2055 A CB 1.670 20.729 19.000 0.099 0.000 1.327 2055 A HN 0.734 nan 8.150 nan 0.000 0.441 2056 E N -0.918 119.307 120.200 0.042 0.000 2.288 2056 E HA 0.604 4.961 4.350 0.012 0.000 0.268 2056 E C -2.090 174.520 176.600 0.017 0.000 0.885 2056 E CA -0.664 55.751 56.400 0.024 0.000 0.767 2056 E CB 2.459 32.172 29.700 0.021 0.000 1.220 2056 E HN 0.334 nan 8.360 nan 0.000 0.427 2057 L N 3.157 124.385 121.223 0.009 0.000 2.491 2057 L HA 0.268 4.615 4.340 0.012 0.000 0.267 2057 L C -1.301 175.570 176.870 0.001 0.000 0.971 2057 L CA -0.084 54.758 54.840 0.004 0.000 0.857 2057 L CB 1.210 43.270 42.059 0.001 0.000 1.226 2057 L HN 0.534 nan 8.230 nan 0.000 0.408 2058 D N 4.159 124.560 120.400 0.001 0.000 2.772 2058 D HA -0.197 4.450 4.640 0.012 0.000 0.233 2058 D C 1.142 177.442 176.300 0.000 0.000 1.143 2058 D CA 1.558 55.558 54.000 -0.000 0.000 0.700 2058 D CB -1.000 39.799 40.800 -0.002 0.000 1.076 2058 D HN 1.175 nan 8.370 nan 0.000 0.430 2059 G N -1.206 107.596 108.800 0.002 0.000 2.225 2059 G HA2 -0.368 3.599 3.960 0.012 0.000 0.254 2059 G HA3 -0.368 3.599 3.960 0.012 0.000 0.254 2059 G C 0.328 175.228 174.900 0.001 0.000 0.988 2059 G CA 0.698 45.799 45.100 0.002 0.000 0.625 2059 G HN 0.442 nan 8.290 nan 0.000 0.527 2060 K N 1.015 121.415 120.400 -0.001 0.000 2.156 2060 K HA 0.754 5.081 4.320 0.012 0.000 0.271 2060 K C 0.505 177.104 176.600 -0.002 0.000 0.995 2060 K CA 0.358 56.642 56.287 -0.004 0.000 0.890 2060 K CB 1.730 34.225 32.500 -0.009 0.000 1.073 2060 K HN 0.631 nan 8.250 nan 0.000 0.454 2061 A N 2.149 124.967 122.820 -0.003 0.000 2.450 2061 A HA 0.441 4.768 4.320 0.012 0.000 0.255 2061 A C -0.205 177.376 177.584 -0.005 0.000 1.096 2061 A CA -0.416 51.621 52.037 0.001 0.000 0.778 2061 A CB -0.137 18.863 19.000 -0.001 0.000 1.031 2061 A HN 0.564 nan 8.150 nan 0.000 0.494 2062 V N 1.093 121.011 119.914 0.006 0.000 2.876 2062 V HA 0.710 4.837 4.120 0.012 0.000 0.312 2062 V C -0.571 175.536 176.094 0.021 0.000 1.085 2062 V CA -1.092 61.208 62.300 -0.001 0.000 0.945 2062 V CB 1.701 33.523 31.823 -0.001 0.000 1.017 2062 V HN 0.630 nan 8.190 nan 0.000 0.428 2063 I N 3.324 123.899 120.570 0.009 0.000 2.437 2063 I HA 0.564 4.741 4.170 0.012 0.000 0.298 2063 I C -0.213 175.941 176.117 0.062 0.000 0.984 2063 I CA -0.658 60.667 61.300 0.042 0.000 1.214 2063 I CB 1.784 39.797 38.000 0.022 0.000 1.365 2063 I HN 0.521 nan 8.210 nan 0.000 0.469 2064 V N 5.318 125.299 119.914 0.111 0.000 2.378 2064 V HA 0.377 4.504 4.120 0.012 0.000 0.288 2064 V C -0.340 175.845 176.094 0.151 0.000 1.016 2064 V CA -0.465 61.903 62.300 0.112 0.000 0.840 2064 V CB 1.934 33.813 31.823 0.093 0.000 0.994 2064 V HN 0.898 nan 8.190 nan 0.000 0.431 2065 C N 4.218 123.603 119.300 0.141 0.000 2.482 2065 C HA 0.689 5.156 4.460 0.012 0.000 0.317 2065 C C 0.573 175.671 174.990 0.179 0.000 1.197 2065 C CA -0.340 58.782 59.018 0.173 0.000 1.432 2065 C CB 1.523 29.362 27.740 0.165 0.000 2.062 2065 C HN 0.934 nan 8.230 nan 0.000 0.471 2066 S N 2.365 118.187 115.700 0.203 0.000 2.549 2066 S HA 0.303 4.780 4.470 0.012 0.000 0.279 2066 S C 1.347 176.110 174.600 0.272 0.000 1.321 2066 S CA 0.548 58.853 58.200 0.176 0.000 1.054 2066 S CB 0.891 64.166 63.200 0.125 0.000 0.899 2066 S HN 1.006 nan 8.310 nan 0.000 0.497 2067 T N 1.936 116.596 114.554 0.177 0.000 3.015 2067 T HA 0.485 4.842 4.350 0.012 0.000 0.250 2067 T C 1.172 175.921 174.700 0.080 0.000 1.057 2067 T CA 0.614 62.845 62.100 0.219 0.000 1.066 2067 T CB -0.750 68.194 68.868 0.127 0.000 0.959 2067 T HN 1.613 nan 8.240 nan 0.000 0.488 2068 G N 1.429 110.201 108.800 -0.046 0.000 2.828 2068 G HA2 -0.114 3.853 3.960 0.012 0.000 0.463 2068 G HA3 -0.114 3.853 3.960 0.012 0.000 0.463 2068 G C -0.593 174.276 174.900 -0.052 0.000 1.394 2068 G CA -0.498 44.531 45.100 -0.119 0.000 0.862 2068 G HN 0.656 nan 8.290 nan 0.000 0.540 2069 I N 2.117 122.650 120.570 -0.063 0.000 2.416 2069 I HA 0.514 4.691 4.170 0.012 0.000 0.288 2069 I C 1.126 177.230 176.117 -0.021 0.000 1.051 2069 I CA 1.110 62.389 61.300 -0.036 0.000 1.375 2069 I CB 0.577 38.548 38.000 -0.049 0.000 1.407 2069 I HN 1.979 nan 8.210 nan 0.000 0.516 2070 G N 3.927 112.725 108.800 -0.004 0.000 2.629 2070 G HA2 -0.077 3.890 3.960 0.012 0.000 0.686 2070 G HA3 -0.077 3.890 3.960 0.012 0.000 0.686 2070 G C 0.503 175.406 174.900 0.005 0.000 1.232 2070 G CA -0.480 44.620 45.100 0.001 0.000 0.803 2070 G HN 0.907 nan 8.290 nan 0.000 0.638 2071 G N 0.577 109.378 108.800 0.002 0.000 2.446 2071 G HA2 0.039 4.006 3.960 0.012 0.000 0.217 2071 G HA3 0.039 4.006 3.960 0.012 0.000 0.217 2071 G C 0.177 175.080 174.900 0.004 0.000 1.168 2071 G CA 2.156 47.256 45.100 -0.000 0.000 0.771 2071 G HN 0.702 nan 8.290 nan 0.000 0.551 2072 P HA -0.135 nan 4.420 nan 0.000 0.214 2072 P C 2.309 179.629 177.300 0.032 0.000 1.163 2072 P CA 2.004 65.101 63.100 -0.004 0.000 0.889 2072 P CB -0.174 31.518 31.700 -0.012 0.000 0.790 2073 S N -1.827 113.903 115.700 0.051 0.000 2.382 2073 S HA -0.139 4.338 4.470 0.012 0.000 0.228 2073 S C 1.885 176.602 174.600 0.195 0.000 1.027 2073 S CA 1.961 60.242 58.200 0.135 0.000 0.991 2073 S CB -1.311 61.917 63.200 0.047 0.000 0.823 2073 S HN 0.162 nan 8.310 nan 0.000 0.469 2074 T N 1.580 116.192 114.554 0.096 0.000 2.746 2074 T HA -0.115 4.242 4.350 0.012 0.000 0.267 2074 T C 2.199 176.892 174.700 -0.011 0.000 1.039 2074 T CA 1.707 63.838 62.100 0.053 0.000 1.142 2074 T CB -0.582 68.288 68.868 0.003 0.000 0.866 2074 T HN 0.709 nan 8.240 nan 0.000 0.444 2075 S N 1.194 116.891 115.700 -0.005 0.000 2.402 2075 S HA -0.006 4.471 4.470 0.012 0.000 0.229 2075 S C 2.081 176.671 174.600 -0.016 0.000 1.021 2075 S CA 0.620 58.814 58.200 -0.010 0.000 0.974 2075 S CB -0.731 62.548 63.200 0.132 0.000 0.800 2075 S HN 0.498 nan 8.310 nan 0.000 0.484 2076 I N 2.250 122.799 120.570 -0.034 0.000 2.142 2076 I HA -0.129 4.048 4.170 0.012 0.000 0.240 2076 I C 3.134 179.127 176.117 -0.206 0.000 1.078 2076 I CA 1.184 62.403 61.300 -0.135 0.000 1.343 2076 I CB -0.726 37.116 38.000 -0.263 0.000 1.046 2076 I HN 0.435 nan 8.210 nan 0.000 0.405 2077 A N 0.451 123.136 122.820 -0.225 0.000 1.883 2077 A HA -0.166 4.161 4.320 0.012 0.000 0.217 2077 A C 2.426 179.956 177.584 -0.089 0.000 1.186 2077 A CA 1.942 53.843 52.037 -0.225 0.000 0.624 2077 A CB -1.036 17.941 19.000 -0.039 0.000 0.822 2077 A HN 0.244 nan 8.150 nan 0.000 0.444 2078 V N 0.195 120.022 119.914 -0.145 0.000 2.295 2078 V HA -0.247 3.881 4.120 0.012 0.000 0.246 2078 V C 2.642 178.646 176.094 -0.150 0.000 1.049 2078 V CA 2.485 64.589 62.300 -0.327 0.000 1.024 2078 V CB -0.764 30.677 31.823 -0.637 0.000 0.648 2078 V HN 0.774 nan 8.190 nan 0.000 0.447 2079 E N 0.880 121.020 120.200 -0.099 0.000 2.047 2079 E HA -0.228 4.129 4.350 0.012 0.000 0.191 2079 E C 2.079 178.703 176.600 0.040 0.000 0.987 2079 E CA 1.888 58.282 56.400 -0.010 0.000 0.799 2079 E CB -0.299 29.423 29.700 0.036 0.000 0.752 2079 E HN 0.672 nan 8.360 nan 0.000 0.449 2080 E N -0.549 119.664 120.200 0.021 0.000 2.152 2080 E HA -0.104 4.253 4.350 0.012 0.000 0.192 2080 E C 1.884 178.516 176.600 0.054 0.000 0.983 2080 E CA 0.519 56.939 56.400 0.034 0.000 0.818 2080 E CB -0.051 29.652 29.700 0.005 0.000 0.758 2080 E HN 0.182 nan 8.360 nan 0.000 0.467 2081 L N 0.822 122.098 121.223 0.088 0.000 2.093 2081 L HA -0.104 4.243 4.340 0.012 0.000 0.208 2081 L C 2.207 179.179 176.870 0.169 0.000 1.085 2081 L CA 1.637 56.564 54.840 0.145 0.000 0.755 2081 L CB -0.802 41.424 42.059 0.279 0.000 0.904 2081 L HN 0.034 nan 8.230 nan 0.000 0.435 2082 A N -1.545 121.420 122.820 0.241 0.000 1.898 2082 A HA -0.231 4.096 4.320 0.012 0.000 0.216 2082 A C 2.145 179.791 177.584 0.102 0.000 1.181 2082 A CA 1.348 53.509 52.037 0.207 0.000 0.620 2082 A CB -0.453 18.674 19.000 0.211 0.000 0.819 2082 A HN 0.549 nan 8.150 nan 0.000 0.442 2083 Q N -0.719 119.130 119.800 0.081 0.000 2.297 2083 Q HA -0.054 4.293 4.340 0.012 0.000 0.208 2083 Q C 1.174 177.199 176.000 0.042 0.000 0.981 2083 Q CA 1.039 56.876 55.803 0.055 0.000 0.876 2083 Q CB -0.227 28.542 28.738 0.052 0.000 0.921 2083 Q HN 0.674 nan 8.270 nan 0.000 0.446 2084 L N -1.593 119.654 121.223 0.041 0.000 2.667 2084 L HA 0.263 4.610 4.340 0.012 0.000 0.232 2084 L C 1.017 177.894 176.870 0.012 0.000 1.138 2084 L CA 0.310 55.165 54.840 0.024 0.000 0.921 2084 L CB 0.598 42.669 42.059 0.021 0.000 1.180 2084 L HN 0.321 nan 8.230 nan 0.000 0.487 2085 G N -0.181 108.628 108.800 0.015 0.000 2.211 2085 G HA2 -0.181 3.786 3.960 0.012 0.000 0.201 2085 G HA3 -0.181 3.786 3.960 0.012 0.000 0.201 2085 G C 0.227 175.106 174.900 -0.035 0.000 0.997 2085 G CA -0.709 44.389 45.100 -0.003 0.000 0.652 2085 G HN 0.065 nan 8.290 nan 0.000 0.500 2086 I N 1.375 121.910 120.570 -0.060 0.000 2.533 2086 I HA 0.306 4.483 4.170 0.012 0.000 0.284 2086 I C 1.262 177.259 176.117 -0.201 0.000 1.109 2086 I CA 0.257 61.432 61.300 -0.208 0.000 1.412 2086 I CB 1.008 38.787 38.000 -0.368 0.000 1.396 2086 I HN 0.087 nan 8.210 nan 0.000 0.543 2087 R N 3.126 123.489 120.500 -0.229 0.000 2.469 2087 R HA 0.197 4.544 4.340 0.012 0.000 0.250 2087 R C -0.225 176.015 176.300 -0.101 0.000 0.909 2087 R CA 0.199 56.248 56.100 -0.084 0.000 1.050 2087 R CB 0.559 30.842 30.300 -0.028 0.000 1.256 2087 R HN 0.524 nan 8.270 nan 0.000 0.550 2088 T N 1.291 115.659 114.554 -0.310 0.000 2.881 2088 T HA 0.560 4.917 4.350 0.012 0.000 0.291 2088 T C -0.960 173.506 174.700 -0.390 0.000 0.990 2088 T CA -0.335 61.651 62.100 -0.190 0.000 0.976 2088 T CB 1.197 70.004 68.868 -0.101 0.000 0.970 2088 T HN -0.171 nan 8.240 nan 0.000 0.438 2089 F N 2.539 122.486 119.950 -0.005 0.000 2.482 2089 F HA 0.619 5.155 4.527 0.014 0.000 0.331 2089 F C -0.178 175.620 175.800 -0.004 0.000 1.115 2089 F CA -1.143 56.855 58.000 -0.005 0.000 0.955 2089 F CB 1.369 40.362 39.000 -0.012 0.000 1.136 2089 F HN 0.230 nan 8.300 nan 0.000 0.452 2090 L N 3.892 125.201 121.223 0.143 0.000 2.343 2090 L HA 0.554 4.901 4.340 0.012 0.000 0.278 2090 L C -0.343 176.578 176.870 0.086 0.000 0.996 2090 L CA -0.842 54.050 54.840 0.087 0.000 0.831 2090 L CB 1.902 43.983 42.059 0.038 0.000 1.232 2090 L HN 0.527 nan 8.230 nan 0.000 0.413 2091 R N 4.112 124.655 120.500 0.072 0.000 2.297 2091 R HA 0.538 4.885 4.340 0.012 0.000 0.308 2091 R C -1.059 175.263 176.300 0.036 0.000 1.029 2091 R CA -0.234 55.900 56.100 0.056 0.000 0.929 2091 R CB 0.989 31.315 30.300 0.043 0.000 1.046 2091 R HN 0.524 nan 8.270 nan 0.000 0.461 2092 I N 4.269 124.858 120.570 0.033 0.000 2.436 2092 I HA 0.662 4.839 4.170 0.012 0.000 0.289 2092 I C -0.573 175.556 176.117 0.020 0.000 1.010 2092 I CA -0.145 61.168 61.300 0.022 0.000 1.098 2092 I CB 1.413 39.423 38.000 0.017 0.000 1.266 2092 I HN 0.880 nan 8.210 nan 0.000 0.434 2093 G N 4.693 113.503 108.800 0.018 0.000 2.975 2093 G HA2 0.688 4.655 3.960 0.012 0.000 0.291 2093 G HA3 0.688 4.655 3.960 0.012 0.000 0.291 2093 G C -1.024 173.887 174.900 0.018 0.000 1.334 2093 G CA -0.313 44.798 45.100 0.017 0.000 0.843 2093 G HN 0.585 nan 8.290 nan 0.000 0.548 2094 T N -2.987 111.580 114.554 0.021 0.000 2.932 2094 T HA 0.768 5.125 4.350 0.012 0.000 0.289 2094 T C -0.483 174.238 174.700 0.034 0.000 1.039 2094 T CA -0.626 61.490 62.100 0.026 0.000 1.024 2094 T CB 2.115 70.999 68.868 0.025 0.000 1.090 2094 T HN 0.910 nan 8.240 nan 0.000 0.496 2095 T N -0.521 114.052 114.554 0.033 0.000 2.821 2095 T HA 0.665 5.022 4.350 0.012 0.000 0.306 2095 T C -0.758 173.958 174.700 0.026 0.000 1.313 2095 T CA -0.403 61.716 62.100 0.031 0.000 1.012 2095 T CB 1.381 70.260 68.868 0.018 0.000 1.298 2095 T HN 1.189 nan 8.240 nan 0.000 0.502 2096 G N 1.378 110.194 108.800 0.026 0.000 2.370 2096 G HA2 0.655 4.622 3.960 0.012 0.000 0.317 2096 G HA3 0.655 4.622 3.960 0.012 0.000 0.317 2096 G C -0.142 174.764 174.900 0.010 0.000 1.162 2096 G CA -0.216 44.897 45.100 0.021 0.000 0.922 2096 G HN 0.947 nan 8.290 nan 0.000 0.454 2097 A N 2.219 125.024 122.820 -0.024 0.000 2.354 2097 A HA 0.574 4.901 4.320 0.012 0.000 0.269 2097 A C 1.043 178.586 177.584 -0.069 0.000 1.109 2097 A CA -0.529 51.462 52.037 -0.076 0.000 0.800 2097 A CB 0.309 19.242 19.000 -0.111 0.000 1.045 2097 A HN 1.251 nan 8.150 nan 0.000 0.489 2098 I N -1.945 118.559 120.570 -0.110 0.000 4.154 2098 I HA 0.247 4.424 4.170 0.012 0.000 0.334 2098 I C -0.149 175.918 176.117 -0.084 0.000 1.371 2098 I CA -0.290 60.965 61.300 -0.075 0.000 1.110 2098 I CB 0.223 38.161 38.000 -0.103 0.000 1.085 2098 I HN 0.323 nan 8.210 nan 0.000 0.398 2099 Q N 2.066 121.771 119.800 -0.159 0.000 2.271 2099 Q HA 0.374 4.721 4.340 0.012 0.000 0.258 2099 Q C -1.911 173.959 176.000 -0.217 0.000 0.936 2099 Q CA -1.948 53.739 55.803 -0.194 0.000 0.909 2099 Q CB 1.869 30.389 28.738 -0.362 0.000 1.253 2099 Q HN -0.012 nan 8.270 nan 0.000 0.440 2100 P HA -0.168 nan 4.420 nan 0.000 0.218 2100 P C 0.845 178.123 177.300 -0.037 0.000 1.148 2100 P CA 1.419 64.501 63.100 -0.030 0.000 0.822 2100 P CB 0.090 31.813 31.700 0.038 0.000 0.784 2101 H N -1.777 117.262 119.070 -0.052 0.000 2.547 2101 H HA 0.168 4.731 4.556 0.011 0.000 0.266 2101 H C 0.403 175.684 175.328 -0.079 0.000 0.988 2101 H CA 0.008 56.029 56.048 -0.045 0.000 1.147 2101 H CB -0.554 29.189 29.762 -0.032 0.000 1.365 2101 H HN 0.150 nan 8.280 nan 0.000 0.589 2102 I N 2.395 122.694 120.570 -0.451 0.000 2.336 2102 I HA 0.141 4.318 4.170 0.012 0.000 0.292 2102 I C -0.308 175.737 176.117 -0.120 0.000 0.991 2102 I CA -0.534 60.544 61.300 -0.370 0.000 1.227 2102 I CB 1.321 38.986 38.000 -0.559 0.000 1.366 2102 I HN 0.110 nan 8.210 nan 0.000 0.466 2103 N N 3.968 122.669 118.700 0.001 0.000 2.489 2103 N HA 0.376 5.123 4.740 0.012 0.000 0.284 2103 N C -0.811 174.715 175.510 0.027 0.000 1.158 2103 N CA -0.811 52.253 53.050 0.023 0.000 0.965 2103 N CB 1.763 40.283 38.487 0.054 0.000 1.195 2103 N HN 0.223 nan 8.380 nan 0.000 0.506 2104 V N 1.405 121.332 119.914 0.021 0.000 2.493 2104 V HA 0.234 4.361 4.120 0.012 0.000 0.292 2104 V C 1.315 177.431 176.094 0.038 0.000 1.016 2104 V CA 1.320 63.634 62.300 0.024 0.000 1.097 2104 V CB 0.015 31.849 31.823 0.018 0.000 0.947 2104 V HN 1.091 nan 8.190 nan 0.000 0.479 2105 G N 3.857 112.684 108.800 0.045 0.000 2.201 2105 G HA2 -0.165 3.802 3.960 0.012 0.000 0.212 2105 G HA3 -0.165 3.802 3.960 0.012 0.000 0.212 2105 G C -0.078 174.882 174.900 0.099 0.000 0.994 2105 G CA -0.086 45.051 45.100 0.062 0.000 0.644 2105 G HN 0.650 nan 8.290 nan 0.000 0.508 2106 D N 0.087 120.544 120.400 0.095 0.000 2.357 2106 D HA 0.525 5.172 4.640 0.012 0.000 0.242 2106 D C 0.514 176.876 176.300 0.104 0.000 1.153 2106 D CA 0.040 54.111 54.000 0.117 0.000 0.918 2106 D CB 1.732 42.651 40.800 0.197 0.000 1.181 2106 D HN 0.188 nan 8.370 nan 0.000 0.435 2107 V N 1.815 121.779 119.914 0.084 0.000 2.513 2107 V HA 0.410 4.537 4.120 0.012 0.000 0.299 2107 V C -0.104 176.034 176.094 0.073 0.000 1.035 2107 V CA -0.728 61.609 62.300 0.062 0.000 0.889 2107 V CB 1.383 33.224 31.823 0.029 0.000 0.988 2107 V HN 0.274 nan 8.190 nan 0.000 0.440 2108 L N 5.018 126.278 121.223 0.063 0.000 2.349 2108 L HA 0.615 4.962 4.340 0.012 0.000 0.278 2108 L C -0.768 176.122 176.870 0.033 0.000 0.996 2108 L CA -0.771 54.108 54.840 0.065 0.000 0.825 2108 L CB 2.015 44.106 42.059 0.054 0.000 1.243 2108 L HN 0.324 nan 8.230 nan 0.000 0.412 2109 V N 1.815 121.746 119.914 0.028 0.000 2.394 2109 V HA 0.310 4.437 4.120 0.012 0.000 0.282 2109 V C 0.372 176.474 176.094 0.012 0.000 1.031 2109 V CA -0.319 61.988 62.300 0.011 0.000 0.881 2109 V CB 1.674 33.494 31.823 -0.005 0.000 0.982 2109 V HN 0.730 nan 8.190 nan 0.000 0.451 2110 T N 3.587 118.145 114.554 0.006 0.000 2.771 2110 T HA 0.237 4.594 4.350 0.012 0.000 0.291 2110 T C 1.258 175.962 174.700 0.006 0.000 0.954 2110 T CA 0.121 62.222 62.100 0.002 0.000 1.045 2110 T CB 1.271 70.137 68.868 -0.005 0.000 0.917 2110 T HN 0.955 nan 8.240 nan 0.000 0.484 2111 T N 0.384 114.944 114.554 0.010 0.000 3.031 2111 T HA 0.545 4.902 4.350 0.012 0.000 0.254 2111 T C 0.689 175.400 174.700 0.018 0.000 1.060 2111 T CA 0.183 62.296 62.100 0.022 0.000 1.135 2111 T CB 0.234 69.121 68.868 0.031 0.000 0.896 2111 T HN 0.765 nan 8.240 nan 0.000 0.472 2112 A N 0.117 122.939 122.820 0.003 0.000 2.601 2112 A HA 0.689 5.016 4.320 0.012 0.000 0.291 2112 A C -1.136 176.432 177.584 -0.026 0.000 1.075 2112 A CA -0.837 51.197 52.037 -0.005 0.000 0.671 2112 A CB 1.202 20.197 19.000 -0.007 0.000 1.277 2112 A HN 0.182 nan 8.150 nan 0.000 0.417 2113 S N -0.315 115.367 115.700 -0.031 0.000 2.513 2113 S HA 0.582 5.059 4.470 0.012 0.000 0.299 2113 S C -0.419 174.129 174.600 -0.087 0.000 1.087 2113 S CA -0.545 57.618 58.200 -0.062 0.000 1.012 2113 S CB 1.700 64.873 63.200 -0.045 0.000 1.044 2113 S HN 0.890 nan 8.310 nan 0.000 0.485 2114 V N 3.461 123.273 119.914 -0.170 0.000 2.479 2114 V HA 0.147 4.274 4.120 0.012 0.000 0.281 2114 V C 0.669 176.669 176.094 -0.155 0.000 1.031 2114 V CA 0.078 62.234 62.300 -0.240 0.000 1.038 2114 V CB -0.181 31.300 31.823 -0.570 0.000 0.981 2114 V HN 0.691 nan 8.190 nan 0.000 0.478 2115 R N 5.463 125.924 120.500 -0.065 0.000 2.893 2115 R HA 0.274 4.621 4.340 0.012 0.000 0.243 2115 R C 0.158 176.482 176.300 0.040 0.000 1.481 2115 R CA -0.097 56.006 56.100 0.005 0.000 1.250 2115 R CB -0.025 30.305 30.300 0.049 0.000 1.213 2115 R HN 0.672 nan 8.270 nan 0.000 0.609 2116 L N 1.976 123.223 121.223 0.039 0.000 2.783 2116 L HA 0.112 4.459 4.340 0.012 0.000 0.236 2116 L C 0.348 177.294 176.870 0.128 0.000 1.225 2116 L CA -0.207 54.716 54.840 0.139 0.000 1.026 2116 L CB -0.650 41.519 42.059 0.183 0.000 1.314 2116 L HN 0.506 nan 8.230 nan 0.000 0.489 2117 D N -1.412 119.042 120.400 0.090 0.000 2.621 2117 D HA 0.314 4.961 4.640 0.012 0.000 0.255 2117 D C 0.751 177.099 176.300 0.080 0.000 1.122 2117 D CA -0.313 53.729 54.000 0.071 0.000 1.096 2117 D CB 1.767 42.593 40.800 0.042 0.000 1.282 2117 D HN -0.084 nan 8.370 nan 0.000 0.619 2118 G N -1.254 107.577 108.800 0.052 0.000 2.747 2118 G HA2 0.250 4.217 3.960 0.012 0.000 0.202 2118 G HA3 0.250 4.217 3.960 0.012 0.000 0.202 2118 G C 1.267 176.163 174.900 -0.006 0.000 1.090 2118 G CA 0.589 45.722 45.100 0.054 0.000 0.779 2118 G HN 0.613 nan 8.290 nan 0.000 0.535 2119 A N 1.748 124.519 122.820 -0.082 0.000 1.969 2119 A HA 0.020 4.347 4.320 0.012 0.000 0.218 2119 A C 2.664 180.322 177.584 0.123 0.000 1.169 2119 A CA 2.314 54.254 52.037 -0.162 0.000 0.635 2119 A CB -0.653 18.308 19.000 -0.066 0.000 0.810 2119 A HN 0.725 nan 8.150 nan 0.000 0.445 2120 S N 0.313 116.109 115.700 0.160 0.000 2.383 2120 S HA -0.140 4.337 4.470 0.012 0.000 0.229 2120 S C 1.738 176.489 174.600 0.251 0.000 1.030 2120 S CA 1.536 59.872 58.200 0.227 0.000 1.002 2120 S CB -0.769 62.512 63.200 0.135 0.000 0.829 2120 S HN 0.456 nan 8.310 nan 0.000 0.467 2121 L N 0.443 121.792 121.223 0.210 0.000 2.362 2121 L HA -0.002 4.345 4.340 0.012 0.000 0.219 2121 L C 2.041 179.005 176.870 0.157 0.000 1.134 2121 L CA 0.954 55.903 54.840 0.182 0.000 0.807 2121 L CB -0.598 41.562 42.059 0.170 0.000 0.927 2121 L HN 0.354 nan 8.230 nan 0.000 0.447 2122 H N -1.917 117.090 119.070 -0.105 0.000 2.551 2122 H HA 0.041 4.603 4.556 0.010 0.000 0.266 2122 H C 1.134 176.083 175.328 -0.631 0.000 0.977 2122 H CA 0.729 56.555 56.048 -0.370 0.000 1.163 2122 H CB 0.093 29.555 29.762 -0.500 0.000 1.381 2122 H HN 0.246 nan 8.280 nan 0.000 0.581 2123 F N -1.275 118.698 119.950 0.039 0.000 2.699 2123 F HA 0.565 5.098 4.527 0.011 0.000 0.295 2123 F C 0.914 176.629 175.800 -0.142 0.000 1.052 2123 F CA 0.301 58.266 58.000 -0.058 0.000 1.239 2123 F CB 0.767 39.720 39.000 -0.079 0.000 1.018 2123 F HN 0.018 nan 8.300 nan 0.000 0.627 2124 A N 0.462 123.305 122.820 0.038 0.000 2.574 2124 A HA 0.664 4.991 4.320 0.012 0.000 0.297 2124 A C -2.785 174.820 177.584 0.034 0.000 1.062 2124 A CA -1.488 50.500 52.037 -0.082 0.000 0.686 2124 A CB 0.755 19.525 19.000 -0.383 0.000 1.285 2124 A HN -0.173 nan 8.150 nan 0.000 0.403 2125 P HA 0.130 nan 4.420 nan 0.000 0.272 2125 P C 0.826 178.206 177.300 0.133 0.000 1.240 2125 P CA -0.277 62.873 63.100 0.083 0.000 0.791 2125 P CB 0.455 32.200 31.700 0.074 0.000 0.978 2126 M N 1.363 121.029 119.600 0.110 0.000 2.202 2126 M HA -0.185 4.302 4.480 0.012 0.000 0.262 2126 M C 1.646 178.020 176.300 0.124 0.000 1.063 2126 M CA 1.737 57.106 55.300 0.114 0.000 1.097 2126 M CB -1.151 31.502 32.600 0.088 0.000 1.382 2126 M HN 0.354 nan 8.290 nan 0.000 0.413 2127 E N -1.116 119.156 120.200 0.121 0.000 2.347 2127 E HA -0.150 4.207 4.350 0.012 0.000 0.196 2127 E C 0.493 177.164 176.600 0.118 0.000 1.008 2127 E CA 0.183 56.643 56.400 0.100 0.000 0.852 2127 E CB -1.034 28.713 29.700 0.078 0.000 0.783 2127 E HN 0.495 nan 8.360 nan 0.000 0.505 2128 F N 4.352 124.323 119.950 0.035 0.000 2.529 2128 F HA 0.143 4.674 4.527 0.006 0.000 0.365 2128 F C -1.922 173.897 175.800 0.031 0.000 1.102 2128 F CA -2.182 55.839 58.000 0.035 0.000 1.271 2128 F CB 0.602 39.628 39.000 0.044 0.000 1.120 2128 F HN -0.153 nan 8.300 nan 0.000 0.579 2129 P HA 0.175 nan 4.420 nan 0.000 0.280 2129 P C -1.312 176.018 177.300 0.050 0.000 1.244 2129 P CA -0.473 62.551 63.100 -0.126 0.000 0.784 2129 P CB 1.288 32.848 31.700 -0.234 0.000 0.913 2130 A N 3.752 126.624 122.820 0.086 0.000 3.026 2130 A HA 0.272 4.599 4.320 0.012 0.000 0.272 2130 A C 0.223 177.837 177.584 0.050 0.000 1.782 2130 A CA -0.287 51.809 52.037 0.098 0.000 1.451 2130 A CB -0.991 18.046 19.000 0.061 0.000 1.081 2130 A HN 0.460 nan 8.150 nan 0.000 0.611 2131 V N 1.894 121.841 119.914 0.055 0.000 2.472 2131 V HA 0.708 4.835 4.120 0.012 0.000 0.290 2131 V C 0.609 176.736 176.094 0.054 0.000 1.037 2131 V CA -0.226 62.093 62.300 0.031 0.000 0.908 2131 V CB 1.399 33.218 31.823 -0.006 0.000 0.985 2131 V HN 0.917 nan 8.190 nan 0.000 0.454 2132 A N 4.283 127.131 122.820 0.047 0.000 2.332 2132 A HA 0.406 4.733 4.320 0.012 0.000 0.258 2132 A C 0.012 177.643 177.584 0.077 0.000 1.087 2132 A CA -0.241 51.828 52.037 0.053 0.000 0.802 2132 A CB 0.205 19.226 19.000 0.036 0.000 1.042 2132 A HN 1.011 nan 8.150 nan 0.000 0.489 2133 D N 0.002 120.448 120.400 0.078 0.000 2.390 2133 D HA 0.141 4.788 4.640 0.012 0.000 0.249 2133 D C 0.653 177.021 176.300 0.113 0.000 1.144 2133 D CA -0.029 54.032 54.000 0.102 0.000 0.880 2133 D CB 0.157 41.008 40.800 0.086 0.000 1.182 2133 D HN 0.374 nan 8.370 nan 0.000 0.451 2134 F N 4.091 124.050 119.950 0.016 0.000 2.134 2134 F HA -0.125 4.408 4.527 0.011 0.000 0.299 2134 F C 2.033 177.839 175.800 0.010 0.000 1.097 2134 F CA 1.776 59.782 58.000 0.010 0.000 1.264 2134 F CB -0.302 38.702 39.000 0.006 0.000 1.001 2134 F HN 0.500 nan 8.300 nan 0.000 0.479 2135 A N -0.643 122.186 122.820 0.015 0.000 1.902 2135 A HA -0.209 4.118 4.320 0.012 0.000 0.217 2135 A C 2.354 179.865 177.584 -0.121 0.000 1.181 2135 A CA 1.778 53.770 52.037 -0.075 0.000 0.623 2135 A CB -1.644 17.374 19.000 0.031 0.000 0.818 2135 A HN 0.557 nan 8.150 nan 0.000 0.443 2136 C N -1.011 118.252 119.300 -0.062 0.000 2.446 2136 C HA -0.066 4.401 4.460 0.012 0.000 0.277 2136 C C 3.023 177.960 174.990 -0.088 0.000 1.275 2136 C CA 1.505 60.493 59.018 -0.051 0.000 1.727 2136 C CB -1.495 26.245 27.740 -0.001 0.000 2.010 2136 C HN 0.653 nan 8.230 nan 0.000 0.486 2137 T N 0.500 114.980 114.554 -0.123 0.000 2.821 2137 T HA -0.144 4.213 4.350 0.012 0.000 0.267 2137 T C 1.780 176.353 174.700 -0.211 0.000 1.046 2137 T CA 2.032 64.049 62.100 -0.140 0.000 1.139 2137 T CB -0.480 68.317 68.868 -0.118 0.000 0.871 2137 T HN 0.589 nan 8.240 nan 0.000 0.454 2138 T N 2.079 116.420 114.554 -0.356 0.000 2.708 2138 T HA -0.009 4.348 4.350 0.012 0.000 0.266 2138 T C 2.465 177.054 174.700 -0.184 0.000 1.037 2138 T CA 1.179 63.071 62.100 -0.347 0.000 1.146 2138 T CB -0.587 67.976 68.868 -0.508 0.000 0.865 2138 T HN 0.438 nan 8.240 nan 0.000 0.435 2139 A N 1.118 123.851 122.820 -0.146 0.000 1.902 2139 A HA -0.007 4.320 4.320 0.012 0.000 0.217 2139 A C 2.310 179.851 177.584 -0.071 0.000 1.181 2139 A CA 1.265 53.249 52.037 -0.089 0.000 0.623 2139 A CB -0.870 18.090 19.000 -0.066 0.000 0.818 2139 A HN 0.470 nan 8.150 nan 0.000 0.443 2140 L N -0.810 120.370 121.223 -0.071 0.000 2.056 2140 L HA -0.145 4.202 4.340 0.012 0.000 0.207 2140 L C 2.526 179.363 176.870 -0.056 0.000 1.078 2140 L CA 1.004 55.813 54.840 -0.052 0.000 0.749 2140 L CB -0.504 41.530 42.059 -0.041 0.000 0.901 2140 L HN 0.239 nan 8.230 nan 0.000 0.433 2141 V N -0.462 119.409 119.914 -0.072 0.000 2.343 2141 V HA -0.221 3.906 4.120 0.012 0.000 0.247 2141 V C 2.513 178.568 176.094 -0.065 0.000 1.051 2141 V CA 1.567 63.826 62.300 -0.068 0.000 1.036 2141 V CB -0.399 31.378 31.823 -0.077 0.000 0.654 2141 V HN 0.426 nan 8.190 nan 0.000 0.451 2142 E N 0.210 120.369 120.200 -0.068 0.000 2.107 2142 E HA -0.088 4.269 4.350 0.012 0.000 0.191 2142 E C 2.346 178.917 176.600 -0.049 0.000 0.982 2142 E CA 1.300 57.666 56.400 -0.057 0.000 0.809 2142 E CB -0.408 29.258 29.700 -0.057 0.000 0.756 2142 E HN 0.561 nan 8.360 nan 0.000 0.459 2143 A N 1.538 124.329 122.820 -0.047 0.000 1.972 2143 A HA -0.062 4.265 4.320 0.012 0.000 0.219 2143 A C 2.395 179.952 177.584 -0.044 0.000 1.169 2143 A CA 1.740 53.754 52.037 -0.039 0.000 0.635 2143 A CB -0.416 18.565 19.000 -0.032 0.000 0.810 2143 A HN 0.250 nan 8.150 nan 0.000 0.446 2144 A N -0.045 122.743 122.820 -0.053 0.000 1.930 2144 A HA -0.142 4.186 4.320 0.012 0.000 0.217 2144 A C 2.101 179.634 177.584 -0.085 0.000 1.175 2144 A CA 1.709 53.704 52.037 -0.070 0.000 0.627 2144 A CB -0.381 18.576 19.000 -0.071 0.000 0.815 2144 A HN 0.544 nan 8.150 nan 0.000 0.443 2145 K N 0.378 120.736 120.400 -0.070 0.000 2.026 2145 K HA -0.147 4.180 4.320 0.012 0.000 0.208 2145 K C 2.482 179.045 176.600 -0.061 0.000 1.048 2145 K CA 1.752 57.999 56.287 -0.066 0.000 0.929 2145 K CB -0.291 32.178 32.500 -0.052 0.000 0.713 2145 K HN 0.666 nan 8.250 nan 0.000 0.439 2146 S N 1.046 116.716 115.700 -0.050 0.000 2.382 2146 S HA -0.150 4.327 4.470 0.012 0.000 0.228 2146 S C 2.034 176.609 174.600 -0.043 0.000 1.027 2146 S CA 1.034 59.211 58.200 -0.039 0.000 0.991 2146 S CB -0.368 62.814 63.200 -0.029 0.000 0.823 2146 S HN 0.083 nan 8.310 nan 0.000 0.469 2147 I N 2.083 122.620 120.570 -0.054 0.000 2.286 2147 I HA 0.181 4.358 4.170 0.012 0.000 0.245 2147 I C 1.951 177.996 176.117 -0.119 0.000 1.104 2147 I CA 1.366 62.630 61.300 -0.059 0.000 1.397 2147 I CB -0.793 37.181 38.000 -0.043 0.000 1.072 2147 I HN 0.628 nan 8.210 nan 0.000 0.417 2148 G N 0.179 108.880 108.800 -0.165 0.000 2.215 2148 G HA2 0.019 3.986 3.960 0.012 0.000 0.198 2148 G HA3 0.019 3.986 3.960 0.012 0.000 0.198 2148 G C 0.177 174.881 174.900 -0.327 0.000 1.047 2148 G CA -0.158 44.829 45.100 -0.188 0.000 0.747 2148 G HN 0.642 nan 8.290 nan 0.000 0.495 2149 A N -0.271 122.320 122.820 -0.381 0.000 2.282 2149 A HA 0.877 5.204 4.320 0.012 0.000 0.319 2149 A C 0.655 178.114 177.584 -0.208 0.000 1.121 2149 A CA 0.261 52.046 52.037 -0.420 0.000 0.836 2149 A CB 0.791 19.548 19.000 -0.405 0.000 1.146 2149 A HN 0.811 nan 8.150 nan 0.000 0.494 2150 T N 2.454 116.923 114.554 -0.142 0.000 2.752 2150 T HA 0.446 4.803 4.350 0.012 0.000 0.295 2150 T C -0.097 174.475 174.700 -0.213 0.000 0.923 2150 T CA 0.425 62.437 62.100 -0.146 0.000 1.112 2150 T CB -0.071 68.757 68.868 -0.068 0.000 0.884 2150 T HN 0.600 nan 8.240 nan 0.000 0.525 2151 T N 4.546 118.911 114.554 -0.316 0.000 2.841 2151 T HA 0.418 4.775 4.350 0.012 0.000 0.283 2151 T C -0.592 173.839 174.700 -0.449 0.000 1.000 2151 T CA -0.844 61.091 62.100 -0.275 0.000 0.977 2151 T CB 0.961 69.744 68.868 -0.142 0.000 0.979 2151 T HN 0.551 nan 8.240 nan 0.000 0.446 2152 H N 0.864 119.942 119.070 0.012 0.000 2.538 2152 H HA 0.597 5.160 4.556 0.012 0.000 0.353 2152 H C -1.018 174.318 175.328 0.014 0.000 1.109 2152 H CA -0.652 55.413 56.048 0.028 0.000 1.192 2152 H CB 1.962 31.752 29.762 0.047 0.000 1.555 2152 H HN 0.282 nan 8.280 nan 0.000 0.518 2153 V N 1.958 121.946 119.914 0.124 0.000 2.487 2153 V HA 0.704 4.831 4.120 0.012 0.000 0.298 2153 V C 0.503 176.636 176.094 0.066 0.000 1.028 2153 V CA -0.189 62.150 62.300 0.066 0.000 0.860 2153 V CB 1.333 33.176 31.823 0.033 0.000 0.991 2153 V HN 1.119 nan 8.190 nan 0.000 0.427 2154 G N 3.206 112.032 108.800 0.044 0.000 2.399 2154 G HA2 0.370 4.337 3.960 0.012 0.000 0.256 2154 G HA3 0.370 4.337 3.960 0.012 0.000 0.256 2154 G C -1.356 173.548 174.900 0.006 0.000 1.236 2154 G CA -0.374 44.744 45.100 0.030 0.000 0.914 2154 G HN 0.515 nan 8.290 nan 0.000 0.482 2155 V N 1.004 120.913 119.914 -0.008 0.000 2.546 2155 V HA 0.625 4.752 4.120 0.012 0.000 0.284 2155 V C 0.214 176.262 176.094 -0.076 0.000 1.050 2155 V CA 0.022 62.299 62.300 -0.039 0.000 0.981 2155 V CB 1.265 33.065 31.823 -0.038 0.000 0.990 2155 V HN 0.762 nan 8.190 nan 0.000 0.474 2156 T N 3.611 118.105 114.554 -0.100 0.000 2.841 2156 T HA 0.636 4.993 4.350 0.012 0.000 0.283 2156 T C -0.096 174.485 174.700 -0.199 0.000 1.000 2156 T CA -0.310 61.711 62.100 -0.131 0.000 0.977 2156 T CB 1.638 70.460 68.868 -0.077 0.000 0.979 2156 T HN 0.901 nan 8.240 nan 0.000 0.446 2157 A N 2.340 124.988 122.820 -0.286 0.000 2.302 2157 A HA 0.603 4.930 4.320 0.012 0.000 0.295 2157 A C 0.439 177.955 177.584 -0.114 0.000 1.235 2157 A CA -0.449 51.378 52.037 -0.351 0.000 0.876 2157 A CB 0.278 18.895 19.000 -0.639 0.000 1.133 2157 A HN 0.641 nan 8.150 nan 0.000 0.533 2158 S N 2.439 118.081 115.700 -0.097 0.000 2.474 2158 S HA 0.485 4.962 4.470 0.012 0.000 0.320 2158 S C -0.024 174.573 174.600 -0.005 0.000 1.067 2158 S CA -0.326 57.857 58.200 -0.028 0.000 1.127 2158 S CB 0.194 63.376 63.200 -0.030 0.000 0.971 2158 S HN 0.915 nan 8.310 nan 0.000 0.472 2159 S N 3.165 118.864 115.700 -0.001 0.000 2.565 2159 S HA 0.356 4.833 4.470 0.012 0.000 0.290 2159 S C 0.495 175.075 174.600 -0.033 0.000 1.150 2159 S CA -0.595 57.586 58.200 -0.031 0.000 1.058 2159 S CB 1.149 64.269 63.200 -0.133 0.000 1.032 2159 S HN 0.708 nan 8.310 nan 0.000 0.510 2160 D N 1.756 122.145 120.400 -0.018 0.000 2.363 2160 D HA 0.116 4.763 4.640 0.012 0.000 0.220 2160 D C 0.792 177.080 176.300 -0.019 0.000 0.994 2160 D CA 0.788 54.786 54.000 -0.004 0.000 0.890 2160 D CB 0.185 41.002 40.800 0.028 0.000 0.906 2160 D HN 0.713 nan 8.370 nan 0.000 0.530 2161 T N -4.279 110.230 114.554 -0.074 0.000 2.907 2161 T HA 0.327 4.684 4.350 0.012 0.000 0.290 2161 T C 0.404 175.056 174.700 -0.081 0.000 1.066 2161 T CA -0.869 61.202 62.100 -0.048 0.000 1.012 2161 T CB 1.151 69.979 68.868 -0.065 0.000 1.184 2161 T HN -0.114 nan 8.240 nan 0.000 0.522 2162 F N -0.721 119.109 119.950 -0.200 0.000 2.505 2162 F HA 0.277 4.811 4.527 0.012 0.000 0.289 2162 F C 1.080 176.572 175.800 -0.513 0.000 1.101 2162 F CA 0.402 58.176 58.000 -0.377 0.000 1.446 2162 F CB 0.145 38.876 39.000 -0.448 0.000 1.123 2162 F HN 0.645 nan 8.300 nan 0.000 0.564 2163 Y N 0.328 120.588 120.300 -0.065 0.000 2.269 2163 Y HA 0.200 4.757 4.550 0.010 0.000 0.279 2163 Y C -0.644 175.089 175.900 -0.279 0.000 1.118 2163 Y CA 0.408 58.423 58.100 -0.141 0.000 1.145 2163 Y CB -1.982 36.475 38.460 -0.005 0.000 1.081 2163 Y HN -0.179 nan 8.280 nan 0.000 0.501 2164 P HA -0.071 nan 4.420 nan 0.000 0.217 2164 P C 1.549 178.568 177.300 -0.468 0.000 1.150 2164 P CA 2.133 65.106 63.100 -0.213 0.000 0.832 2164 P CB -0.235 31.398 31.700 -0.111 0.000 0.787 2165 G N -0.505 107.891 108.800 -0.674 0.000 2.534 2165 G HA2 -0.186 3.781 3.960 0.012 0.000 0.217 2165 G HA3 -0.186 3.781 3.960 0.012 0.000 0.217 2165 G C 1.241 175.680 174.900 -0.768 0.000 1.128 2165 G CA 0.256 44.657 45.100 -1.166 0.000 0.784 2165 G HN 0.337 nan 8.290 nan 0.000 0.542 2166 Q N -0.459 118.898 119.800 -0.738 0.000 2.204 2166 Q HA 0.190 4.537 4.340 0.012 0.000 0.209 2166 Q C -0.074 175.589 176.000 -0.561 0.000 0.861 2166 Q CA -0.289 54.863 55.803 -1.086 0.000 0.971 2166 Q CB 0.433 28.434 28.738 -1.228 0.000 1.095 2166 Q HN 0.584 nan 8.270 nan 0.000 0.486 2167 E N 1.707 121.700 120.200 -0.344 0.000 2.210 2167 E HA -0.234 4.123 4.350 0.012 0.000 0.201 2167 E C -1.053 175.375 176.600 -0.286 0.000 1.339 2167 E CA 0.171 56.423 56.400 -0.247 0.000 0.699 2167 E CB -0.335 29.361 29.700 -0.006 0.000 1.126 2167 E HN 0.319 nan 8.360 nan 0.000 0.355 2168 R N 0.619 120.932 120.500 -0.312 0.000 2.346 2168 R HA 0.264 4.611 4.340 0.012 0.000 0.311 2168 R C 0.157 176.339 176.300 -0.196 0.000 0.983 2168 R CA -0.346 55.669 56.100 -0.142 0.000 0.880 2168 R CB 0.621 30.913 30.300 -0.015 0.000 1.100 2168 R HN 0.228 nan 8.270 nan 0.000 0.453 2169 Y N 0.055 120.389 120.300 0.057 0.000 2.462 2169 Y HA -0.010 4.547 4.550 0.012 0.000 0.253 2169 Y C 0.739 176.663 175.900 0.041 0.000 1.095 2169 Y CA -0.245 57.881 58.100 0.043 0.000 1.283 2169 Y CB 0.542 39.018 38.460 0.028 0.000 1.138 2169 Y HN 0.550 nan 8.280 nan 0.000 0.522 2170 D N 1.305 121.820 120.400 0.191 0.000 2.688 2170 D HA 0.047 4.694 4.640 0.012 0.000 0.228 2170 D C 0.212 176.562 176.300 0.083 0.000 1.116 2170 D CA 0.181 54.261 54.000 0.132 0.000 1.023 2170 D CB -0.500 40.381 40.800 0.134 0.000 1.100 2170 D HN 0.221 nan 8.370 nan 0.000 0.487 2171 T N -3.461 111.115 114.554 0.037 0.000 2.858 2171 T HA 0.235 4.592 4.350 0.012 0.000 0.285 2171 T C 0.832 175.537 174.700 0.008 0.000 1.052 2171 T CA -0.912 61.160 62.100 -0.045 0.000 1.009 2171 T CB 0.949 69.766 68.868 -0.086 0.000 1.241 2171 T HN 0.047 nan 8.240 nan 0.000 0.542 2172 Y N 1.526 121.762 120.300 -0.106 0.000 2.145 2172 Y HA -0.101 4.456 4.550 0.011 0.000 0.286 2172 Y C 2.797 178.678 175.900 -0.032 0.000 1.145 2172 Y CA 2.717 60.778 58.100 -0.065 0.000 1.148 2172 Y CB -0.603 37.812 38.460 -0.076 0.000 0.981 2172 Y HN 0.742 nan 8.280 nan 0.000 0.507 2173 S N -1.062 114.577 115.700 -0.102 0.000 2.446 2173 S HA 0.135 4.612 4.470 0.012 0.000 0.225 2173 S C 1.866 176.414 174.600 -0.087 0.000 1.016 2173 S CA 0.597 58.704 58.200 -0.156 0.000 0.943 2173 S CB -0.722 62.471 63.200 -0.012 0.000 0.786 2173 S HN 1.001 nan 8.310 nan 0.000 0.508 2174 G N 1.403 110.191 108.800 -0.020 0.000 2.179 2174 G HA2 -0.267 3.700 3.960 0.012 0.000 0.257 2174 G HA3 -0.267 3.700 3.960 0.012 0.000 0.257 2174 G C 0.023 175.003 174.900 0.132 0.000 1.010 2174 G CA 0.362 45.499 45.100 0.062 0.000 0.736 2174 G HN 0.657 nan 8.290 nan 0.000 0.513 2175 R N -0.236 120.305 120.500 0.069 0.000 2.534 2175 R HA 0.634 4.981 4.340 0.012 0.000 0.301 2175 R C -1.003 175.308 176.300 0.017 0.000 0.961 2175 R CA -0.499 55.647 56.100 0.077 0.000 0.871 2175 R CB 2.016 32.343 30.300 0.046 0.000 1.170 2175 R HN 0.149 nan 8.270 nan 0.000 0.446 2176 V N 4.479 124.412 119.914 0.030 0.000 2.487 2176 V HA 0.243 4.370 4.120 0.012 0.000 0.298 2176 V C 0.371 176.512 176.094 0.079 0.000 1.028 2176 V CA -0.894 61.392 62.300 -0.024 0.000 0.860 2176 V CB 1.867 33.560 31.823 -0.216 0.000 0.991 2176 V HN 0.566 nan 8.190 nan 0.000 0.427 2177 V N 5.976 125.957 119.914 0.112 0.000 2.872 2177 V HA 0.067 4.194 4.120 0.012 0.000 0.307 2177 V C 1.857 178.014 176.094 0.105 0.000 1.072 2177 V CA 0.664 63.035 62.300 0.119 0.000 1.148 2177 V CB 0.900 32.811 31.823 0.146 0.000 0.954 2177 V HN 0.970 nan 8.190 nan 0.000 0.490 2178 R N 3.509 124.042 120.500 0.055 0.000 2.159 2178 R HA -0.251 4.096 4.340 0.012 0.000 0.252 2178 R C 2.340 178.620 176.300 -0.033 0.000 1.144 2178 R CA 2.728 58.838 56.100 0.018 0.000 0.961 2178 R CB -0.375 29.925 30.300 0.001 0.000 0.877 2178 R HN 0.836 nan 8.270 nan 0.000 0.444 2179 R N -0.803 119.637 120.500 -0.101 0.000 2.103 2179 R HA -0.176 4.171 4.340 0.012 0.000 0.242 2179 R C 1.313 177.377 176.300 -0.394 0.000 1.142 2179 R CA 2.079 57.992 56.100 -0.310 0.000 0.960 2179 R CB -0.184 29.816 30.300 -0.500 0.000 0.858 2179 R HN 0.279 nan 8.270 nan 0.000 0.439 2180 F N 0.473 120.442 119.950 0.032 0.000 2.695 2180 F HA 0.281 4.822 4.527 0.024 0.000 0.303 2180 F C 0.334 176.140 175.800 0.009 0.000 1.091 2180 F CA -0.130 57.889 58.000 0.033 0.000 1.300 2180 F CB 0.300 39.322 39.000 0.038 0.000 1.071 2180 F HN -0.285 nan 8.300 nan 0.000 0.578 2181 K N 0.827 121.309 120.400 0.136 0.000 2.419 2181 K HA 0.261 4.588 4.320 0.012 0.000 0.282 2181 K C 1.184 177.830 176.600 0.076 0.000 1.056 2181 K CA 0.781 57.145 56.287 0.128 0.000 1.035 2181 K CB -0.051 32.511 32.500 0.102 0.000 0.921 2181 K HN 0.393 nan 8.250 nan 0.000 0.472 2182 G N 2.111 110.974 108.800 0.106 0.000 2.148 2182 G HA2 -0.337 3.630 3.960 0.012 0.000 0.254 2182 G HA3 -0.337 3.630 3.960 0.012 0.000 0.254 2182 G C 0.879 175.752 174.900 -0.044 0.000 0.981 2182 G CA 0.773 45.896 45.100 0.038 0.000 0.670 2182 G HN 0.683 nan 8.290 nan 0.000 0.528 2183 S N -0.897 114.788 115.700 -0.026 0.000 2.406 2183 S HA 0.095 4.572 4.470 0.012 0.000 0.228 2183 S C 2.219 176.652 174.600 -0.278 0.000 1.020 2183 S CA 1.469 59.536 58.200 -0.221 0.000 0.965 2183 S CB -0.216 63.018 63.200 0.056 0.000 0.798 2183 S HN 0.575 nan 8.310 nan 0.000 0.488 2184 M N 1.417 121.066 119.600 0.082 0.000 2.132 2184 M HA -0.066 4.421 4.480 0.012 0.000 0.263 2184 M C 2.390 178.731 176.300 0.068 0.000 1.065 2184 M CA 1.812 57.244 55.300 0.219 0.000 1.122 2184 M CB -0.229 32.550 32.600 0.300 0.000 1.365 2184 M HN 0.473 nan 8.290 nan 0.000 0.411 2185 E N 0.008 120.214 120.200 0.010 0.000 2.153 2185 E HA -0.223 4.134 4.350 0.012 0.000 0.194 2185 E C 1.663 178.225 176.600 -0.064 0.000 0.988 2185 E CA 1.351 57.744 56.400 -0.012 0.000 0.811 2185 E CB 0.070 29.762 29.700 -0.012 0.000 0.746 2185 E HN 0.617 nan 8.360 nan 0.000 0.466 2186 E N -0.443 119.646 120.200 -0.186 0.000 2.046 2186 E HA -0.166 4.191 4.350 0.012 0.000 0.190 2186 E C 1.875 178.385 176.600 -0.150 0.000 0.982 2186 E CA 1.162 57.405 56.400 -0.261 0.000 0.800 2186 E CB -0.219 29.191 29.700 -0.484 0.000 0.756 2186 E HN 0.447 nan 8.360 nan 0.000 0.449 2187 W N 1.577 122.883 121.300 0.010 0.000 2.342 2187 W HA -0.192 4.469 4.660 0.002 0.000 0.297 2187 W C 2.539 179.026 176.519 -0.052 0.000 1.213 2187 W CA 0.363 57.688 57.345 -0.034 0.000 1.251 2187 W CB -0.229 29.177 29.460 -0.091 0.000 1.136 2187 W HN 0.184 nan 8.180 nan 0.000 0.526 2188 Q N 0.736 120.621 119.800 0.142 0.000 2.061 2188 Q HA -0.233 4.114 4.340 0.012 0.000 0.204 2188 Q C 2.427 178.462 176.000 0.059 0.000 0.984 2188 Q CA 2.231 58.075 55.803 0.069 0.000 0.846 2188 Q CB -0.450 28.314 28.738 0.043 0.000 0.902 2188 Q HN 0.272 nan 8.270 nan 0.000 0.421 2189 A N -0.023 122.822 122.820 0.042 0.000 2.015 2189 A HA -0.099 4.228 4.320 0.012 0.000 0.219 2189 A C 1.761 179.375 177.584 0.049 0.000 1.163 2189 A CA 1.082 53.139 52.037 0.032 0.000 0.646 2189 A CB -0.302 18.702 19.000 0.007 0.000 0.806 2189 A HN 0.431 nan 8.150 nan 0.000 0.448 2190 M N -1.045 118.604 119.600 0.082 0.000 2.563 2190 M HA 0.166 4.653 4.480 0.012 0.000 0.231 2190 M C 1.275 177.629 176.300 0.089 0.000 1.136 2190 M CA 0.705 56.067 55.300 0.102 0.000 1.026 2190 M CB 0.164 32.870 32.600 0.178 0.000 1.597 2190 M HN 0.586 nan 8.290 nan 0.000 0.495 2191 G N 0.853 109.699 108.800 0.076 0.000 2.143 2191 G HA2 -0.210 3.757 3.960 0.012 0.000 0.248 2191 G HA3 -0.210 3.757 3.960 0.012 0.000 0.248 2191 G C 0.055 174.981 174.900 0.044 0.000 0.991 2191 G CA -0.164 44.973 45.100 0.061 0.000 0.689 2191 G HN 0.333 nan 8.290 nan 0.000 0.522 2192 V N 1.498 121.436 119.914 0.041 0.000 2.585 2192 V HA 0.213 4.340 4.120 0.012 0.000 0.296 2192 V C 1.862 177.913 176.094 -0.071 0.000 1.035 2192 V CA 0.946 63.230 62.300 -0.027 0.000 1.084 2192 V CB 1.247 33.038 31.823 -0.052 0.000 0.953 2192 V HN 0.401 nan 8.190 nan 0.000 0.483 2193 M N 3.176 122.719 119.600 -0.095 0.000 2.193 2193 M HA 0.073 4.560 4.480 0.012 0.000 0.265 2193 M C 0.677 176.878 176.300 -0.166 0.000 1.071 2193 M CA 1.235 56.463 55.300 -0.119 0.000 1.140 2193 M CB -0.044 32.506 32.600 -0.084 0.000 1.369 2193 M HN 0.950 nan 8.290 nan 0.000 0.423 2194 N N -1.771 116.812 118.700 -0.195 0.000 3.046 2194 N HA 0.166 4.913 4.740 0.012 0.000 0.243 2194 N C -2.009 173.351 175.510 -0.250 0.000 1.452 2194 N CA -0.663 52.274 53.050 -0.188 0.000 0.882 2194 N CB 1.147 39.580 38.487 -0.091 0.000 1.425 2194 N HN -0.087 nan 8.380 nan 0.000 0.517 2195 Y N -0.083 120.163 120.300 -0.090 0.000 2.335 2195 Y HA 0.417 4.973 4.550 0.009 0.000 0.338 2195 Y C 0.314 176.152 175.900 -0.102 0.000 0.977 2195 Y CA -0.289 57.741 58.100 -0.117 0.000 1.114 2195 Y CB 1.415 39.786 38.460 -0.149 0.000 1.182 2195 Y HN 0.752 nan 8.280 nan 0.000 0.463 2196 E N 0.384 120.634 120.200 0.084 0.000 2.431 2196 E HA 0.589 4.946 4.350 0.012 0.000 0.240 2196 E C -0.770 175.844 176.600 0.025 0.000 0.867 2196 E CA -0.704 55.721 56.400 0.042 0.000 0.888 2196 E CB 1.200 30.916 29.700 0.027 0.000 1.739 2196 E HN 0.439 nan 8.360 nan 0.000 0.413 2197 M N -0.768 118.844 119.600 0.021 0.000 2.327 2197 M HA 0.332 4.819 4.480 0.012 0.000 0.365 2197 M C -0.227 176.078 176.300 0.008 0.000 0.992 2197 M CA 0.242 55.550 55.300 0.013 0.000 0.985 2197 M CB 0.771 33.388 32.600 0.028 0.000 1.673 2197 M HN 0.498 nan 8.290 nan 0.000 0.586 2198 E N -0.887 119.316 120.200 0.005 0.000 2.576 2198 E HA 0.070 4.427 4.350 0.012 0.000 0.214 2198 E C 1.735 178.329 176.600 -0.011 0.000 0.859 2198 E CA 0.591 56.990 56.400 -0.001 0.000 1.399 2198 E CB 0.424 30.126 29.700 0.004 0.000 1.374 2198 E HN 0.292 nan 8.360 nan 0.000 0.718 2199 S N 0.800 116.495 115.700 -0.009 0.000 2.399 2199 S HA -0.079 4.398 4.470 0.012 0.000 0.231 2199 S C 2.174 176.764 174.600 -0.016 0.000 1.022 2199 S CA 0.962 59.154 58.200 -0.014 0.000 0.983 2199 S CB -0.195 62.997 63.200 -0.012 0.000 0.803 2199 S HN 0.228 nan 8.310 nan 0.000 0.480 2200 A N 1.903 124.717 122.820 -0.011 0.000 1.877 2200 A HA -0.017 4.310 4.320 0.012 0.000 0.216 2200 A C 2.458 180.044 177.584 0.004 0.000 1.186 2200 A CA 2.083 54.121 52.037 0.002 0.000 0.620 2200 A CB -1.710 17.296 19.000 0.009 0.000 0.822 2200 A HN 0.567 nan 8.150 nan 0.000 0.443 2201 T N 0.525 115.075 114.554 -0.006 0.000 2.652 2201 T HA -0.137 4.220 4.350 0.012 0.000 0.267 2201 T C 1.884 176.516 174.700 -0.112 0.000 1.039 2201 T CA 1.332 63.418 62.100 -0.023 0.000 1.153 2201 T CB -0.401 68.460 68.868 -0.013 0.000 0.863 2201 T HN 0.322 nan 8.240 nan 0.000 0.428 2202 L N 0.968 122.126 121.223 -0.108 0.000 1.989 2202 L HA -0.060 4.287 4.340 0.012 0.000 0.211 2202 L C 2.337 179.122 176.870 -0.143 0.000 1.071 2202 L CA 1.880 56.624 54.840 -0.159 0.000 0.749 2202 L CB -0.895 41.102 42.059 -0.104 0.000 0.890 2202 L HN 0.335 nan 8.230 nan 0.000 0.431 2203 L N -0.565 120.619 121.223 -0.064 0.000 2.046 2203 L HA -0.217 4.130 4.340 0.012 0.000 0.208 2203 L C 2.513 179.384 176.870 0.003 0.000 1.077 2203 L CA 1.777 56.606 54.840 -0.017 0.000 0.747 2203 L CB -0.997 41.071 42.059 0.015 0.000 0.896 2203 L HN 0.306 nan 8.230 nan 0.000 0.432 2204 T N 0.508 115.063 114.554 0.003 0.000 2.737 2204 T HA -0.216 4.141 4.350 0.012 0.000 0.265 2204 T C 1.850 176.476 174.700 -0.124 0.000 1.038 2204 T CA 1.883 64.009 62.100 0.042 0.000 1.144 2204 T CB -0.254 68.664 68.868 0.083 0.000 0.866 2204 T HN 0.444 nan 8.240 nan 0.000 0.434 2205 M N 0.298 119.698 119.600 -0.333 0.000 2.229 2205 M HA -0.013 4.474 4.480 0.012 0.000 0.264 2205 M C 2.161 178.207 176.300 -0.423 0.000 1.063 2205 M CA 1.482 56.357 55.300 -0.709 0.000 1.114 2205 M CB -1.024 30.747 32.600 -1.381 0.000 1.387 2205 M HN 0.189 nan 8.290 nan 0.000 0.420 2206 C N 1.286 120.428 119.300 -0.263 0.000 2.500 2206 C HA 0.204 4.671 4.460 0.012 0.000 0.279 2206 C C 3.279 178.255 174.990 -0.023 0.000 1.288 2206 C CA 0.886 59.827 59.018 -0.130 0.000 1.710 2206 C CB -1.106 26.588 27.740 -0.077 0.000 2.052 2206 C HN 0.761 nan 8.230 nan 0.000 0.488 2207 A N 1.179 124.018 122.820 0.032 0.000 1.972 2207 A HA -0.130 4.197 4.320 0.012 0.000 0.219 2207 A C 2.122 179.800 177.584 0.158 0.000 1.169 2207 A CA 2.163 54.287 52.037 0.146 0.000 0.635 2207 A CB -0.601 18.557 19.000 0.264 0.000 0.810 2207 A HN 0.710 nan 8.150 nan 0.000 0.446 2208 S N -1.994 113.696 115.700 -0.016 0.000 2.577 2208 S HA 0.209 4.686 4.470 0.012 0.000 0.219 2208 S C 0.945 175.500 174.600 -0.075 0.000 0.962 2208 S CA 0.226 58.324 58.200 -0.169 0.000 0.921 2208 S CB 0.165 63.014 63.200 -0.585 0.000 0.789 2208 S HN 0.632 nan 8.310 nan 0.000 0.497 2209 Q N 0.259 120.039 119.800 -0.034 0.000 2.103 2209 Q HA 0.340 4.687 4.340 0.012 0.000 0.219 2209 Q C 0.625 176.640 176.000 0.024 0.000 0.784 2209 Q CA 0.109 55.908 55.803 -0.007 0.000 1.014 2209 Q CB 1.164 29.883 28.738 -0.030 0.000 1.183 2209 Q HN 0.655 nan 8.270 nan 0.000 0.469 2210 G N 1.586 110.410 108.800 0.040 0.000 2.182 2210 G HA2 -0.256 3.711 3.960 0.012 0.000 0.248 2210 G HA3 -0.256 3.711 3.960 0.012 0.000 0.248 2210 G C -0.253 174.687 174.900 0.067 0.000 1.042 2210 G CA 0.100 45.233 45.100 0.056 0.000 0.775 2210 G HN 0.217 nan 8.290 nan 0.000 0.501 2211 L N -0.571 120.697 121.223 0.074 0.000 2.334 2211 L HA 0.669 5.016 4.340 0.012 0.000 0.273 2211 L C 0.890 177.836 176.870 0.126 0.000 1.013 2211 L CA -1.173 53.741 54.840 0.123 0.000 0.816 2211 L CB 1.512 43.675 42.059 0.173 0.000 1.278 2211 L HN 0.071 nan 8.230 nan 0.000 0.431 2212 R N 1.735 122.321 120.500 0.144 0.000 2.297 2212 R HA 0.780 5.127 4.340 0.012 0.000 0.308 2212 R C -0.697 175.702 176.300 0.166 0.000 1.029 2212 R CA -0.489 55.683 56.100 0.121 0.000 0.929 2212 R CB 1.586 31.934 30.300 0.079 0.000 1.046 2212 R HN 0.714 nan 8.270 nan 0.000 0.461 2213 A N 1.338 124.231 122.820 0.121 0.000 2.475 2213 A HA 0.819 5.146 4.320 0.012 0.000 0.301 2213 A C -0.793 176.834 177.584 0.072 0.000 1.059 2213 A CA -0.676 51.433 52.037 0.120 0.000 0.710 2213 A CB 2.250 21.297 19.000 0.079 0.000 1.288 2213 A HN 0.758 nan 8.150 nan 0.000 0.408 2214 G N -0.322 108.517 108.800 0.066 0.000 2.612 2214 G HA2 0.661 4.628 3.960 0.012 0.000 0.298 2214 G HA3 0.661 4.628 3.960 0.012 0.000 0.298 2214 G C -1.310 173.609 174.900 0.031 0.000 1.336 2214 G CA -0.533 44.587 45.100 0.034 0.000 0.953 2214 G HN 1.059 nan 8.290 nan 0.000 0.482 2215 M N 2.105 121.715 119.600 0.017 0.000 2.213 2215 M HA 0.693 5.180 4.480 0.012 0.000 0.286 2215 M C -1.710 174.596 176.300 0.010 0.000 1.008 2215 M CA -0.721 54.588 55.300 0.015 0.000 0.937 2215 M CB 1.874 34.480 32.600 0.010 0.000 1.600 2215 M HN 0.612 nan 8.290 nan 0.000 0.450 2216 V N 4.085 124.007 119.914 0.013 0.000 2.962 2216 V HA 1.060 5.187 4.120 0.012 0.000 0.313 2216 V C -1.477 174.627 176.094 0.017 0.000 1.099 2216 V CA 0.062 62.369 62.300 0.013 0.000 0.971 2216 V CB 2.076 33.905 31.823 0.010 0.000 1.028 2216 V HN 1.132 nan 8.190 nan 0.000 0.430 2217 A N 3.155 125.988 122.820 0.021 0.000 2.594 2217 A HA 0.880 5.207 4.320 0.012 0.000 0.295 2217 A C -0.400 177.203 177.584 0.032 0.000 1.071 2217 A CA -0.113 51.938 52.037 0.024 0.000 0.685 2217 A CB 1.752 20.764 19.000 0.020 0.000 1.285 2217 A HN 1.558 nan 8.150 nan 0.000 0.405 2218 G N 0.008 108.827 108.800 0.032 0.000 2.356 2218 G HA2 0.542 4.509 3.960 0.012 0.000 0.322 2218 G HA3 0.542 4.509 3.960 0.012 0.000 0.322 2218 G C -0.556 174.363 174.900 0.032 0.000 1.125 2218 G CA -0.400 44.723 45.100 0.039 0.000 0.885 2218 G HN 0.973 nan 8.290 nan 0.000 0.467 2219 V N 3.623 123.559 119.914 0.037 0.000 2.470 2219 V HA 0.096 4.223 4.120 0.012 0.000 0.276 2219 V C 1.382 177.490 176.094 0.023 0.000 1.040 2219 V CA 0.063 62.378 62.300 0.026 0.000 1.008 2219 V CB 0.746 32.582 31.823 0.021 0.000 0.990 2219 V HN 0.770 nan 8.190 nan 0.000 0.477 2220 I N 3.241 123.824 120.570 0.022 0.000 3.941 2220 I HA 0.514 4.691 4.170 0.012 0.000 0.321 2220 I C 0.273 176.403 176.117 0.022 0.000 1.284 2220 I CA 0.350 61.663 61.300 0.022 0.000 1.226 2220 I CB 0.939 38.954 38.000 0.026 0.000 1.045 2220 I HN 0.421 nan 8.210 nan 0.000 0.420 2221 V N 0.910 120.835 119.914 0.018 0.000 3.098 2221 V HA 0.388 4.515 4.120 0.012 0.000 0.294 2221 V C -1.958 174.138 176.094 0.003 0.000 1.351 2221 V CA -0.565 61.744 62.300 0.015 0.000 0.999 2221 V CB 2.487 34.323 31.823 0.022 0.000 1.104 2221 V HN 0.390 nan 8.190 nan 0.000 0.438 2222 N N 3.661 122.361 118.700 0.001 0.000 2.446 2222 N HA 0.465 5.212 4.740 0.012 0.000 0.265 2222 N C 0.730 176.243 175.510 0.004 0.000 0.975 2222 N CA -0.719 52.325 53.050 -0.010 0.000 0.928 2222 N CB 1.303 39.777 38.487 -0.021 0.000 1.160 2222 N HN 0.537 nan 8.380 nan 0.000 0.495 2223 R N 0.827 121.334 120.500 0.013 0.000 2.280 2223 R HA -0.035 4.312 4.340 0.012 0.000 0.207 2223 R C 1.265 177.587 176.300 0.036 0.000 1.043 2223 R CA 0.882 57.003 56.100 0.034 0.000 1.006 2223 R CB -0.611 29.734 30.300 0.074 0.000 0.885 2223 R HN 0.691 nan 8.270 nan 0.000 0.467 2224 T N -2.002 112.563 114.554 0.019 0.000 3.148 2224 T HA 0.030 4.387 4.350 0.012 0.000 0.253 2224 T C 1.373 176.084 174.700 0.018 0.000 1.134 2224 T CA 0.515 62.626 62.100 0.019 0.000 1.051 2224 T CB 0.265 69.137 68.868 0.007 0.000 0.959 2224 T HN 0.082 nan 8.240 nan 0.000 0.525 2225 Q N -0.283 119.527 119.800 0.017 0.000 2.459 2225 Q HA 0.348 4.695 4.340 0.012 0.000 0.260 2225 Q C 0.482 176.495 176.000 0.022 0.000 0.828 2225 Q CA 0.178 55.992 55.803 0.017 0.000 0.987 2225 Q CB 1.053 29.799 28.738 0.013 0.000 1.216 2225 Q HN 0.631 nan 8.270 nan 0.000 0.558 2226 Q N -0.164 119.651 119.800 0.024 0.000 2.377 2226 Q HA 0.226 4.573 4.340 0.012 0.000 0.279 2226 Q C -0.243 175.775 176.000 0.030 0.000 1.049 2226 Q CA -0.062 55.758 55.803 0.029 0.000 0.825 2226 Q CB 2.299 31.053 28.738 0.026 0.000 1.401 2226 Q HN -0.021 nan 8.270 nan 0.000 0.404 2227 E N 2.183 122.405 120.200 0.037 0.000 2.045 2227 E HA 0.165 4.522 4.350 0.012 0.000 0.190 2227 E C 0.025 176.640 176.600 0.025 0.000 0.968 2227 E CA 0.383 56.800 56.400 0.028 0.000 0.813 2227 E CB 0.464 30.196 29.700 0.054 0.000 0.780 2227 E HN 0.519 nan 8.360 nan 0.000 0.455 2228 I N 2.789 123.397 120.570 0.062 0.000 2.353 2228 I HA 0.160 4.337 4.170 0.012 0.000 0.293 2228 I C -2.267 173.893 176.117 0.072 0.000 0.992 2228 I CA -2.461 58.895 61.300 0.093 0.000 1.268 2228 I CB 1.401 39.476 38.000 0.125 0.000 1.387 2228 I HN -0.116 nan 8.210 nan 0.000 0.478 2229 P HA 0.059 nan 4.420 nan 0.000 0.270 2229 P C -0.586 176.740 177.300 0.043 0.000 1.227 2229 P CA 0.144 63.278 63.100 0.056 0.000 0.788 2229 P CB 0.298 32.038 31.700 0.067 0.000 0.926 2239 S N 0.537 116.189 115.700 -0.081 0.000 2.596 2239 S HA 0.180 4.657 4.470 0.012 0.000 0.260 2239 S C 1.045 175.607 174.600 -0.064 0.000 1.336 2239 S CA 0.110 58.242 58.200 -0.114 0.000 0.993 2239 S CB 0.593 63.754 63.200 -0.066 0.000 0.923 2239 S HN 0.619 nan 8.310 nan 0.000 0.567 2240 H N 0.794 119.857 119.070 -0.011 0.000 2.352 2240 H HA -0.063 4.500 4.556 0.011 0.000 0.299 2240 H C 2.430 177.751 175.328 -0.013 0.000 1.097 2240 H CA 1.502 57.542 56.048 -0.012 0.000 1.311 2240 H CB -0.390 29.366 29.762 -0.011 0.000 1.377 2240 H HN 0.770 nan 8.280 nan 0.000 0.504 2241 A N 0.419 123.307 122.820 0.113 0.000 1.902 2241 A HA -0.156 4.171 4.320 0.012 0.000 0.217 2241 A C 2.525 180.129 177.584 0.033 0.000 1.181 2241 A CA 1.589 53.661 52.037 0.059 0.000 0.623 2241 A CB -0.948 18.078 19.000 0.043 0.000 0.818 2241 A HN 0.345 nan 8.150 nan 0.000 0.443 2242 V N -0.141 119.786 119.914 0.020 0.000 2.515 2242 V HA -0.203 3.925 4.120 0.012 0.000 0.250 2242 V C 2.179 178.277 176.094 0.007 0.000 1.058 2242 V CA 2.558 64.861 62.300 0.004 0.000 1.064 2242 V CB -0.558 31.256 31.823 -0.015 0.000 0.675 2242 V HN 0.598 nan 8.190 nan 0.000 0.461 2243 K N -0.266 120.147 120.400 0.022 0.000 2.097 2243 K HA -0.025 4.302 4.320 0.012 0.000 0.205 2243 K C 2.002 178.613 176.600 0.018 0.000 1.050 2243 K CA 1.848 58.150 56.287 0.024 0.000 0.938 2243 K CB -0.249 32.282 32.500 0.051 0.000 0.718 2243 K HN 0.488 nan 8.250 nan 0.000 0.442 2244 I N 0.364 120.947 120.570 0.023 0.000 2.252 2244 I HA -0.245 3.932 4.170 0.012 0.000 0.245 2244 I C 2.309 178.425 176.117 -0.001 0.000 1.102 2244 I CA 0.792 62.096 61.300 0.006 0.000 1.385 2244 I CB -0.155 37.847 38.000 0.004 0.000 1.064 2244 I HN -0.027 nan 8.210 nan 0.000 0.414 2245 V N 0.312 120.228 119.914 0.004 0.000 2.515 2245 V HA -0.187 3.940 4.120 0.012 0.000 0.250 2245 V C 2.318 178.411 176.094 -0.002 0.000 1.058 2245 V CA 1.573 63.873 62.300 0.002 0.000 1.064 2245 V CB 0.180 32.007 31.823 0.008 0.000 0.675 2245 V HN 0.211 nan 8.190 nan 0.000 0.461 2246 V N 0.016 119.928 119.914 -0.003 0.000 2.379 2246 V HA -0.171 3.956 4.120 0.012 0.000 0.245 2246 V C 2.509 178.599 176.094 -0.007 0.000 1.044 2246 V CA 2.149 64.446 62.300 -0.005 0.000 1.036 2246 V CB -0.613 31.206 31.823 -0.006 0.000 0.664 2246 V HN 0.653 nan 8.190 nan 0.000 0.453 2247 E N 1.002 121.197 120.200 -0.007 0.000 2.110 2247 E HA -0.160 4.197 4.350 0.012 0.000 0.193 2247 E C 2.102 178.692 176.600 -0.016 0.000 0.988 2247 E CA 1.660 58.054 56.400 -0.011 0.000 0.804 2247 E CB -0.468 29.225 29.700 -0.011 0.000 0.745 2247 E HN 0.494 nan 8.360 nan 0.000 0.458 2248 A N 0.800 123.609 122.820 -0.018 0.000 1.902 2248 A HA -0.027 4.300 4.320 0.012 0.000 0.217 2248 A C 2.455 180.026 177.584 -0.022 0.000 1.181 2248 A CA 2.033 54.056 52.037 -0.024 0.000 0.623 2248 A CB -1.032 17.953 19.000 -0.024 0.000 0.818 2248 A HN 0.386 nan 8.150 nan 0.000 0.443 2249 A N -0.408 122.402 122.820 -0.017 0.000 1.933 2249 A HA -0.184 4.143 4.320 0.012 0.000 0.218 2249 A C 2.230 179.803 177.584 -0.018 0.000 1.175 2249 A CA 1.734 53.760 52.037 -0.018 0.000 0.628 2249 A CB -0.498 18.493 19.000 -0.015 0.000 0.814 2249 A HN 0.547 nan 8.150 nan 0.000 0.444 2250 R N -0.482 120.009 120.500 -0.015 0.000 2.096 2250 R HA -0.096 4.251 4.340 0.012 0.000 0.235 2250 R C 2.129 178.420 176.300 -0.015 0.000 1.127 2250 R CA 1.572 57.664 56.100 -0.013 0.000 0.968 2250 R CB -0.147 30.147 30.300 -0.011 0.000 0.861 2250 R HN 0.525 nan 8.270 nan 0.000 0.440 2251 R N -0.491 119.998 120.500 -0.019 0.000 2.240 2251 R HA 0.060 4.407 4.340 0.012 0.000 0.203 2251 R C 1.585 177.873 176.300 -0.020 0.000 1.011 2251 R CA 0.497 56.585 56.100 -0.020 0.000 1.007 2251 R CB 0.234 30.518 30.300 -0.027 0.000 0.911 2251 R HN 0.234 nan 8.270 nan 0.000 0.468 2252 L N 0.281 121.491 121.223 -0.021 0.000 2.616 2252 L HA 0.198 4.545 4.340 0.012 0.000 0.229 2252 L C 0.499 177.357 176.870 -0.020 0.000 1.110 2252 L CA -0.165 54.662 54.840 -0.021 0.000 0.884 2252 L CB 0.255 42.299 42.059 -0.024 0.000 1.115 2252 L HN 0.044 nan 8.230 nan 0.000 0.481 2253 L N 0.000 121.211 121.223 -0.019 0.000 2.949 2253 L HA 0.000 4.347 4.340 0.012 0.000 0.249 2253 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 2253 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502