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 1k3f_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MSKSDVFHLG LTKNDLQGAT LAIVPGDPDR VEKIAALMDK PVKLASHREF DATA SEQUENCE TTWRAELDGK PVIVCSTGIG GPSTSIAVEE LAQLGIRTFL RIGTTGAIQP DATA SEQUENCE HINVGDVLVT TASVRLDGAS LHFAPLEFPA VADFECTTAL VEAAKSIGAT DATA SEQUENCE THVGVTASSD TFYPGQERYD TYSGRVVRHF KGSMEEWQAM GVMNYEMESA DATA SEQUENCE TLLTMCASQG LRAGMVAGVI VNRTQQEIPN AETMKQTESH AVKIVVEAAR DATA SEQUENCE RLL 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.314 176.300 0.024 0.000 1.140 2001 M CA 0.000 55.312 55.300 0.020 0.000 0.988 2001 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2002 S N 2.640 118.356 115.700 0.027 0.000 2.561 2002 S HA 1.099 5.568 4.470 -0.001 0.000 0.282 2002 S C 0.035 174.660 174.600 0.041 0.000 1.123 2002 S CA 0.635 58.852 58.200 0.029 0.000 1.011 2002 S CB 1.439 64.654 63.200 0.025 0.000 1.244 2002 S HN 1.068 nan 8.310 nan 0.000 0.503 2003 K N -0.440 119.986 120.400 0.043 0.000 2.719 2003 K HA 0.683 5.002 4.320 -0.001 0.000 0.281 2003 K C -1.170 175.453 176.600 0.038 0.000 0.991 2003 K CA -0.192 56.132 56.287 0.061 0.000 0.760 2003 K CB 0.587 33.127 32.500 0.065 0.000 1.438 2003 K HN 0.648 nan 8.250 nan 0.000 0.350 2004 S N 1.463 117.176 115.700 0.022 0.000 2.706 2004 S HA 0.474 4.943 4.470 -0.001 0.000 0.270 2004 S C -0.028 174.518 174.600 -0.090 0.000 1.163 2004 S CA 0.594 58.779 58.200 -0.027 0.000 1.042 2004 S CB -0.252 62.932 63.200 -0.025 0.000 1.079 2004 S HN 1.444 nan 8.310 nan 0.000 0.474 2005 D N 2.208 122.564 120.400 -0.073 0.000 4.072 2005 D HA -0.288 4.352 4.640 -0.001 0.000 0.146 2005 D C 0.384 176.627 176.300 -0.094 0.000 0.777 2005 D CA 2.201 56.145 54.000 -0.093 0.000 1.099 2005 D CB -1.632 39.089 40.800 -0.132 0.000 0.497 2005 D HN 0.933 nan 8.370 nan 0.000 0.483 2006 V N -3.147 116.655 119.914 -0.187 0.000 3.087 2006 V HA 0.912 5.031 4.120 -0.001 0.000 0.311 2006 V C -0.556 175.340 176.094 -0.330 0.000 1.333 2006 V CA -1.157 61.068 62.300 -0.125 0.000 1.054 2006 V CB 1.688 33.491 31.823 -0.032 0.000 1.123 2006 V HN 0.646 nan 8.190 nan 0.000 0.473 2007 F N -1.227 118.711 119.950 -0.020 0.000 2.708 2007 F HA 0.764 5.290 4.527 -0.001 0.000 0.309 2007 F C -0.433 175.304 175.800 -0.106 0.000 1.120 2007 F CA -0.064 57.867 58.000 -0.115 0.000 0.978 2007 F CB 1.909 40.787 39.000 -0.204 0.000 1.283 2007 F HN 0.995 nan 8.300 nan 0.000 0.439 2008 H N 1.282 120.482 119.070 0.218 0.000 3.018 2008 H HA 0.054 4.609 4.556 -0.001 0.000 0.196 2008 H C 0.098 175.457 175.328 0.052 0.000 1.169 2008 H CA -0.297 55.849 56.048 0.163 0.000 1.332 2008 H CB -0.330 29.595 29.762 0.271 0.000 1.795 2008 H HN 0.651 nan 8.280 nan 0.000 0.352 2009 L N -1.195 120.259 121.223 0.384 0.000 3.497 2009 L HA -0.428 3.911 4.340 -0.001 0.000 0.054 2009 L C 1.781 178.653 176.870 0.002 0.000 4.400 2009 L CA 2.176 57.162 54.840 0.243 0.000 0.545 2009 L CB -1.815 40.322 42.059 0.130 0.000 3.530 2009 L HN 1.384 nan 8.230 nan 0.000 0.785 2010 G N -2.815 105.871 108.800 -0.190 0.000 2.705 2010 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.193 2010 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.193 2010 G C 0.033 174.919 174.900 -0.023 0.000 1.015 2010 G CA 0.031 44.998 45.100 -0.221 0.000 0.743 2010 G HN 0.105 nan 8.290 nan 0.000 0.476 2011 L N 1.912 123.140 121.223 0.008 0.000 2.492 2011 L HA 0.371 4.711 4.340 -0.001 0.000 0.280 2011 L C 1.886 178.755 176.870 -0.001 0.000 1.240 2011 L CA 2.061 56.910 54.840 0.015 0.000 0.831 2011 L CB 0.409 42.482 42.059 0.022 0.000 1.100 2011 L HN 0.618 nan 8.230 nan 0.000 0.505 2012 T N -3.034 111.519 114.554 -0.001 0.000 3.111 2012 T HA 0.125 4.474 4.350 -0.001 0.000 0.284 2012 T C 1.098 175.791 174.700 -0.011 0.000 0.983 2012 T CA -0.066 62.029 62.100 -0.009 0.000 0.900 2012 T CB 0.755 69.619 68.868 -0.007 0.000 1.132 2012 T HN 0.612 nan 8.240 nan 0.000 0.531 2013 K N 1.074 121.470 120.400 -0.007 0.000 5.103 2013 K HA -0.220 4.099 4.320 -0.001 0.000 0.455 2013 K C 0.999 177.594 176.600 -0.008 0.000 0.360 2013 K CA 1.893 58.175 56.287 -0.008 0.000 1.953 2013 K CB -1.993 30.500 32.500 -0.011 0.000 0.621 2013 K HN 0.422 nan 8.250 nan 0.000 0.595 2014 N N 1.582 120.277 118.700 -0.009 0.000 2.354 2014 N HA -0.072 4.667 4.740 -0.001 0.000 0.179 2014 N C 0.831 176.337 175.510 -0.008 0.000 1.021 2014 N CA 1.420 54.465 53.050 -0.008 0.000 0.887 2014 N CB -0.139 38.343 38.487 -0.009 0.000 0.974 2014 N HN 0.348 nan 8.380 nan 0.000 0.437 2015 D N 1.710 122.106 120.400 -0.006 0.000 2.127 2015 D HA -0.166 4.473 4.640 -0.001 0.000 0.206 2015 D C 2.076 178.373 176.300 -0.005 0.000 0.989 2015 D CA 0.930 54.927 54.000 -0.006 0.000 0.877 2015 D CB -0.827 39.971 40.800 -0.003 0.000 1.042 2015 D HN 0.290 nan 8.370 nan 0.000 0.455 2016 L N -1.222 120.000 121.223 -0.001 0.000 2.574 2016 L HA -0.234 4.105 4.340 -0.001 0.000 0.230 2016 L C 1.782 178.649 176.870 -0.005 0.000 1.160 2016 L CA 1.286 56.126 54.840 0.000 0.000 0.807 2016 L CB -0.717 41.342 42.059 -0.000 0.000 0.931 2016 L HN 0.202 nan 8.230 nan 0.000 0.450 2017 Q N 1.317 121.112 119.800 -0.007 0.000 2.061 2017 Q HA -0.304 4.036 4.340 -0.001 0.000 0.228 2017 Q C 0.878 176.871 176.000 -0.012 0.000 2.768 2017 Q CA 2.274 58.071 55.803 -0.009 0.000 0.546 2017 Q CB -2.038 26.695 28.738 -0.007 0.000 1.082 2017 Q HN 0.725 nan 8.270 nan 0.000 0.476 2018 G N -0.065 108.726 108.800 -0.015 0.000 5.482 2018 G HA2 0.603 4.562 3.960 -0.001 0.000 0.208 2018 G HA3 0.603 4.562 3.960 -0.001 0.000 0.208 2018 G C 0.702 175.586 174.900 -0.027 0.000 0.756 2018 G CA 0.977 46.065 45.100 -0.020 0.000 0.682 2018 G HN 0.836 nan 8.290 nan 0.000 0.405 2019 A N 0.368 123.171 122.820 -0.028 0.000 1.881 2019 A HA 0.012 4.331 4.320 -0.001 0.000 0.219 2019 A C 2.337 179.887 177.584 -0.056 0.000 1.215 2019 A CA 3.131 55.147 52.037 -0.036 0.000 0.648 2019 A CB -0.790 18.190 19.000 -0.034 0.000 0.832 2019 A HN 1.213 nan 8.150 nan 0.000 0.455 2020 T N -2.549 111.959 114.554 -0.077 0.000 12.057 2020 T HA -0.230 4.119 4.350 -0.001 0.000 0.412 2020 T C 0.265 174.872 174.700 -0.155 0.000 1.495 2020 T CA 1.586 63.625 62.100 -0.102 0.000 2.454 2020 T CB -1.438 67.388 68.868 -0.072 0.000 2.808 2020 T HN 0.664 nan 8.240 nan 0.000 0.847 2021 L N 1.192 122.338 121.223 -0.128 0.000 2.334 2021 L HA 0.678 5.017 4.340 -0.001 0.000 0.275 2021 L C -0.444 176.329 176.870 -0.161 0.000 1.036 2021 L CA -0.167 54.583 54.840 -0.150 0.000 0.807 2021 L CB 1.345 43.351 42.059 -0.089 0.000 1.231 2021 L HN 0.427 nan 8.230 nan 0.000 0.438 2022 A N 5.563 128.260 122.820 -0.204 0.000 2.427 2022 A HA 0.670 4.990 4.320 -0.001 0.000 0.298 2022 A C -1.241 176.323 177.584 -0.033 0.000 1.036 2022 A CA -0.435 51.521 52.037 -0.134 0.000 0.701 2022 A CB 1.109 19.973 19.000 -0.227 0.000 1.250 2022 A HN 0.611 nan 8.150 nan 0.000 0.412 2023 I N 2.790 123.372 120.570 0.019 0.000 2.362 2023 I HA 0.427 4.596 4.170 -0.001 0.000 0.289 2023 I C -0.365 175.795 176.117 0.072 0.000 0.994 2023 I CA -0.902 60.424 61.300 0.043 0.000 1.158 2023 I CB 1.994 40.006 38.000 0.021 0.000 1.315 2023 I HN 0.473 nan 8.210 nan 0.000 0.451 2024 V N 5.895 125.866 119.914 0.096 0.000 2.266 2024 V HA 0.538 4.657 4.120 -0.001 0.000 0.271 2024 V C -2.482 173.643 176.094 0.051 0.000 1.032 2024 V CA -1.668 60.682 62.300 0.085 0.000 0.806 2024 V CB 0.345 32.229 31.823 0.103 0.000 1.052 2024 V HN 0.458 nan 8.190 nan 0.000 0.449 2025 P HA 0.405 nan 4.420 nan 0.000 0.302 2025 P C 0.734 178.060 177.300 0.043 0.000 1.307 2025 P CA 0.252 63.374 63.100 0.036 0.000 0.754 2025 P CB 1.810 33.527 31.700 0.028 0.000 1.298 2026 G N -0.902 107.927 108.800 0.048 0.000 2.664 2026 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.216 2026 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.216 2026 G C 0.028 174.969 174.900 0.069 0.000 1.243 2026 G CA 0.352 45.489 45.100 0.060 0.000 0.859 2026 G HN 0.518 nan 8.290 nan 0.000 0.574 2027 D N 1.795 122.230 120.400 0.059 0.000 2.502 2027 D HA 0.093 4.732 4.640 -0.001 0.000 0.249 2027 D C -0.730 175.602 176.300 0.053 0.000 1.188 2027 D CA -1.541 52.490 54.000 0.053 0.000 0.890 2027 D CB 1.521 42.346 40.800 0.041 0.000 1.140 2027 D HN 0.068 nan 8.370 nan 0.000 0.505 2028 P HA -0.117 nan 4.420 nan 0.000 0.223 2028 P C 0.123 177.454 177.300 0.051 0.000 1.151 2028 P CA 0.659 63.806 63.100 0.079 0.000 0.787 2028 P CB 0.242 32.002 31.700 0.101 0.000 0.788 2029 D N -0.162 120.257 120.400 0.030 0.000 3.057 2029 D HA 0.099 4.738 4.640 -0.001 0.000 0.246 2029 D C 1.126 177.415 176.300 -0.017 0.000 1.238 2029 D CA -0.291 53.714 54.000 0.009 0.000 0.949 2029 D CB -0.398 40.410 40.800 0.013 0.000 1.086 2029 D HN -0.096 nan 8.370 nan 0.000 0.487 2030 R N 0.847 121.324 120.500 -0.040 0.000 2.258 2030 R HA 0.009 4.349 4.340 -0.001 0.000 0.188 2030 R C 0.528 176.763 176.300 -0.108 0.000 0.793 2030 R CA 0.225 56.290 56.100 -0.059 0.000 1.301 2030 R CB 0.210 30.498 30.300 -0.019 0.000 1.582 2030 R HN 0.193 nan 8.270 nan 0.000 0.448 2031 V N 2.982 122.826 119.914 -0.115 0.000 2.453 2031 V HA -0.180 3.939 4.120 -0.001 0.000 0.247 2031 V C 2.480 178.275 176.094 -0.499 0.000 1.048 2031 V CA 2.241 64.436 62.300 -0.174 0.000 1.049 2031 V CB -0.187 31.619 31.823 -0.028 0.000 0.672 2031 V HN 0.416 nan 8.190 nan 0.000 0.457 2032 E N 1.002 120.794 120.200 -0.679 0.000 2.107 2032 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 2032 E C 2.005 178.218 176.600 -0.645 0.000 0.982 2032 E CA 1.165 56.859 56.400 -1.178 0.000 0.809 2032 E CB -0.338 28.856 29.700 -0.842 0.000 0.756 2032 E HN 0.531 nan 8.360 nan 0.000 0.459 2033 K N 0.507 120.693 120.400 -0.356 0.000 2.113 2033 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 2033 K C 2.353 178.841 176.600 -0.185 0.000 1.047 2033 K CA 1.770 57.928 56.287 -0.214 0.000 0.928 2033 K CB -0.171 32.251 32.500 -0.130 0.000 0.716 2033 K HN 0.229 nan 8.250 nan 0.000 0.446 2034 I N 0.450 120.908 120.570 -0.186 0.000 2.333 2034 I HA -0.162 4.008 4.170 -0.001 0.000 0.246 2034 I C 2.391 178.430 176.117 -0.130 0.000 1.106 2034 I CA 0.669 61.895 61.300 -0.123 0.000 1.411 2034 I CB -0.296 37.654 38.000 -0.083 0.000 1.082 2034 I HN 0.085 nan 8.210 nan 0.000 0.420 2035 A N 0.902 123.599 122.820 -0.205 0.000 2.070 2035 A HA -0.108 4.211 4.320 -0.001 0.000 0.220 2035 A C 2.486 180.005 177.584 -0.108 0.000 1.159 2035 A CA 1.657 53.609 52.037 -0.140 0.000 0.656 2035 A CB -0.594 18.293 19.000 -0.188 0.000 0.800 2035 A HN 0.436 nan 8.150 nan 0.000 0.453 2036 A N -0.009 122.710 122.820 -0.169 0.000 1.898 2036 A HA 0.038 4.357 4.320 -0.001 0.000 0.216 2036 A C 1.778 179.332 177.584 -0.051 0.000 1.181 2036 A CA 1.162 53.140 52.037 -0.099 0.000 0.620 2036 A CB -0.508 18.419 19.000 -0.121 0.000 0.819 2036 A HN 0.464 nan 8.150 nan 0.000 0.442 2037 L N -0.537 120.651 121.223 -0.058 0.000 2.749 2037 L HA 0.037 4.377 4.340 -0.001 0.000 0.245 2037 L C 0.642 177.497 176.870 -0.025 0.000 1.156 2037 L CA 0.134 54.950 54.840 -0.041 0.000 0.890 2037 L CB -0.923 41.108 42.059 -0.047 0.000 1.036 2037 L HN 0.475 nan 8.230 nan 0.000 0.441 2038 M N -1.567 118.025 119.600 -0.013 0.000 2.792 2038 M HA 0.397 4.876 4.480 -0.001 0.000 0.290 2038 M C -0.907 175.404 176.300 0.019 0.000 1.155 2038 M CA -0.765 54.538 55.300 0.004 0.000 0.781 2038 M CB 1.680 34.289 32.600 0.015 0.000 1.741 2038 M HN -0.172 nan 8.290 nan 0.000 0.473 2039 D N 1.293 121.709 120.400 0.026 0.000 2.217 2039 D HA 0.279 4.918 4.640 -0.001 0.000 0.243 2039 D C -0.682 175.648 176.300 0.049 0.000 1.054 2039 D CA -0.125 53.894 54.000 0.032 0.000 0.838 2039 D CB 1.332 42.144 40.800 0.020 0.000 1.162 2039 D HN 0.470 nan 8.370 nan 0.000 0.472 2040 K N 0.152 120.586 120.400 0.057 0.000 3.244 2040 K HA -0.126 4.194 4.320 -0.001 0.000 0.270 2040 K C -2.397 174.266 176.600 0.105 0.000 1.016 2040 K CA 0.111 56.438 56.287 0.067 0.000 0.754 2040 K CB -1.431 31.094 32.500 0.042 0.000 1.326 2040 K HN 0.358 nan 8.250 nan 0.000 0.465 2041 P HA 0.145 nan 4.420 nan 0.000 0.282 2041 P C -0.094 177.426 177.300 0.366 0.000 1.274 2041 P CA -0.188 63.099 63.100 0.312 0.000 0.770 2041 P CB 1.223 33.127 31.700 0.340 0.000 0.867 2042 V N 3.280 123.283 119.914 0.148 0.000 2.881 2042 V HA 0.444 4.563 4.120 -0.001 0.000 0.316 2042 V C 0.452 176.050 176.094 -0.826 0.000 1.070 2042 V CA -1.118 61.020 62.300 -0.270 0.000 0.976 2042 V CB 1.795 33.518 31.823 -0.167 0.000 1.038 2042 V HN 0.411 nan 8.190 nan 0.000 0.446 2043 K N 1.650 121.302 120.400 -1.247 0.000 2.258 2043 K HA 0.510 4.829 4.320 -0.001 0.000 0.284 2043 K C 0.022 176.289 176.600 -0.556 0.000 1.051 2043 K CA -0.169 55.307 56.287 -1.351 0.000 0.923 2043 K CB 0.825 32.706 32.500 -1.032 0.000 1.046 2043 K HN 0.670 nan 8.250 nan 0.000 0.474 2044 L N 2.418 123.432 121.223 -0.348 0.000 2.500 2044 L HA 0.448 4.787 4.340 -0.001 0.000 0.219 2044 L C 0.373 177.218 176.870 -0.041 0.000 1.057 2044 L CA 0.074 54.835 54.840 -0.132 0.000 0.854 2044 L CB 0.362 42.394 42.059 -0.045 0.000 1.078 2044 L HN 0.840 nan 8.230 nan 0.000 0.480 2045 A N -1.028 121.788 122.820 -0.007 0.000 2.489 2045 A HA 0.585 4.904 4.320 -0.001 0.000 0.293 2045 A C -1.009 176.655 177.584 0.133 0.000 1.004 2045 A CA -0.377 51.721 52.037 0.101 0.000 0.626 2045 A CB 0.692 19.845 19.000 0.255 0.000 1.345 2045 A HN -0.148 nan 8.150 nan 0.000 0.447 2046 S N 0.431 116.207 115.700 0.127 0.000 2.605 2046 S HA 0.257 4.727 4.470 -0.001 0.000 0.142 2046 S C -1.107 173.525 174.600 0.053 0.000 1.452 2046 S CA -0.254 58.018 58.200 0.120 0.000 1.240 2046 S CB -0.191 63.054 63.200 0.075 0.000 1.538 2046 S HN 0.654 nan 8.310 nan 0.000 0.394 2047 H N 2.693 121.821 119.070 0.097 0.000 3.001 2047 H HA 0.488 5.043 4.556 -0.001 0.000 0.248 2047 H C 1.054 176.357 175.328 -0.042 0.000 1.663 2047 H CA 0.997 57.081 56.048 0.059 0.000 1.258 2047 H CB -0.340 29.499 29.762 0.127 0.000 1.547 2047 H HN 0.749 nan 8.280 nan 0.000 0.557 2048 R N 1.468 121.961 120.500 -0.012 0.000 1.592 2048 R HA -0.209 4.130 4.340 -0.001 0.000 0.402 2048 R C 0.939 177.087 176.300 -0.252 0.000 1.261 2048 R CA 0.896 56.922 56.100 -0.124 0.000 0.987 2048 R CB -3.086 27.115 30.300 -0.165 0.000 3.043 2048 R HN 1.016 nan 8.270 nan 0.000 0.493 2049 E N -1.171 118.976 120.200 -0.088 0.000 4.145 2049 E HA -0.299 4.050 4.350 -0.001 0.000 0.296 2049 E C 0.010 176.816 176.600 0.342 0.000 0.666 2049 E CA 2.318 58.737 56.400 0.031 0.000 1.214 2049 E CB -1.795 27.880 29.700 -0.041 0.000 1.679 2049 E HN 1.300 nan 8.360 nan 0.000 0.406 2050 F N 2.309 122.317 119.950 0.096 0.000 2.329 2050 F HA 0.332 4.858 4.527 -0.002 0.000 0.362 2050 F C 0.144 176.026 175.800 0.137 0.000 1.113 2050 F CA -0.651 57.413 58.000 0.107 0.000 1.212 2050 F CB 1.104 40.171 39.000 0.112 0.000 1.509 2050 F HN -0.174 nan 8.300 nan 0.000 0.546 2051 T N 1.201 115.941 114.554 0.310 0.000 2.781 2051 T HA 0.199 4.549 4.350 -0.001 0.000 0.305 2051 T C 0.263 175.135 174.700 0.287 0.000 1.001 2051 T CA -0.576 61.688 62.100 0.273 0.000 0.950 2051 T CB 0.713 69.734 68.868 0.254 0.000 0.955 2051 T HN 0.387 nan 8.240 nan 0.000 0.471 2052 T N 1.400 116.109 114.554 0.258 0.000 2.909 2052 T HA 0.636 4.986 4.350 -0.001 0.000 0.286 2052 T C -0.775 174.098 174.700 0.289 0.000 1.002 2052 T CA -0.832 61.409 62.100 0.236 0.000 1.074 2052 T CB 1.076 70.033 68.868 0.148 0.000 0.984 2052 T HN 0.581 nan 8.240 nan 0.000 0.495 2053 W N 0.595 121.923 121.300 0.046 0.000 3.372 2053 W HA 0.573 5.232 4.660 -0.001 0.000 0.315 2053 W C -0.231 176.301 176.519 0.022 0.000 1.223 2053 W CA -0.944 56.421 57.345 0.034 0.000 1.202 2053 W CB 2.080 31.558 29.460 0.031 0.000 1.367 2053 W HN 0.727 nan 8.180 nan 0.000 0.531 2054 R N 2.001 122.652 120.500 0.251 0.000 2.873 2054 R HA 0.972 5.311 4.340 -0.001 0.000 0.264 2054 R C -0.886 175.526 176.300 0.186 0.000 1.026 2054 R CA -0.503 55.693 56.100 0.159 0.000 1.002 2054 R CB 1.882 32.223 30.300 0.068 0.000 1.174 2054 R HN 0.611 nan 8.270 nan 0.000 0.488 2055 A N 1.292 124.183 122.820 0.117 0.000 2.540 2055 A HA 0.335 4.654 4.320 -0.001 0.000 0.291 2055 A C -1.787 175.829 177.584 0.054 0.000 1.083 2055 A CA -0.761 51.335 52.037 0.099 0.000 0.650 2055 A CB 1.590 20.652 19.000 0.104 0.000 1.292 2055 A HN 0.748 nan 8.150 nan 0.000 0.435 2056 E N -0.170 120.055 120.200 0.041 0.000 2.221 2056 E HA 0.660 5.010 4.350 -0.001 0.000 0.268 2056 E C -2.077 174.533 176.600 0.016 0.000 0.933 2056 E CA -0.682 55.731 56.400 0.022 0.000 0.809 2056 E CB 1.693 31.404 29.700 0.019 0.000 1.190 2056 E HN 0.657 nan 8.360 nan 0.000 0.406 2057 L N 3.766 124.993 121.223 0.007 0.000 2.504 2057 L HA 0.289 4.628 4.340 -0.001 0.000 0.265 2057 L C -1.505 175.363 176.870 -0.003 0.000 0.975 2057 L CA -0.117 54.723 54.840 0.000 0.000 0.864 2057 L CB 1.001 43.058 42.059 -0.004 0.000 1.212 2057 L HN 0.660 nan 8.230 nan 0.000 0.416 2058 D N 4.511 124.910 120.400 -0.003 0.000 2.697 2058 D HA -0.162 4.477 4.640 -0.001 0.000 0.238 2058 D C 1.244 177.542 176.300 -0.003 0.000 1.152 2058 D CA 1.728 55.726 54.000 -0.004 0.000 0.666 2058 D CB -1.004 39.792 40.800 -0.007 0.000 1.037 2058 D HN 1.224 nan 8.370 nan 0.000 0.423 2059 G N -0.746 108.053 108.800 -0.001 0.000 2.212 2059 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.266 2059 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.266 2059 G C 0.284 175.183 174.900 -0.002 0.000 0.978 2059 G CA 0.771 45.870 45.100 -0.001 0.000 0.632 2059 G HN 0.507 nan 8.290 nan 0.000 0.537 2060 K N 1.682 122.080 120.400 -0.003 0.000 2.323 2060 K HA 0.465 4.785 4.320 -0.001 0.000 0.259 2060 K C -2.572 174.026 176.600 -0.004 0.000 0.947 2060 K CA -1.996 54.287 56.287 -0.006 0.000 0.819 2060 K CB 2.973 35.467 32.500 -0.011 0.000 1.109 2060 K HN 0.084 nan 8.250 nan 0.000 0.429 2061 P HA 0.068 nan 4.420 nan 0.000 0.275 2061 P C -0.702 176.595 177.300 -0.005 0.000 1.228 2061 P CA -0.385 62.716 63.100 0.001 0.000 0.786 2061 P CB 1.007 32.706 31.700 -0.001 0.000 0.927 2062 V N 0.581 120.498 119.914 0.004 0.000 2.711 2062 V HA 0.415 4.534 4.120 -0.001 0.000 0.304 2062 V C -0.548 175.557 176.094 0.018 0.000 1.097 2062 V CA -0.885 61.413 62.300 -0.003 0.000 0.906 2062 V CB 1.976 33.797 31.823 -0.004 0.000 1.015 2062 V HN 0.291 nan 8.190 nan 0.000 0.427 2063 I N 4.833 125.406 120.570 0.006 0.000 2.315 2063 I HA 0.432 4.601 4.170 -0.001 0.000 0.291 2063 I C 0.009 176.156 176.117 0.050 0.000 1.006 2063 I CA -0.281 61.041 61.300 0.036 0.000 1.265 2063 I CB 1.715 39.726 38.000 0.018 0.000 1.387 2063 I HN 0.579 nan 8.210 nan 0.000 0.475 2064 V N 6.829 126.799 119.914 0.093 0.000 2.370 2064 V HA 0.360 4.479 4.120 -0.001 0.000 0.279 2064 V C 0.302 176.472 176.094 0.128 0.000 1.029 2064 V CA -0.446 61.907 62.300 0.087 0.000 0.870 2064 V CB 1.647 33.511 31.823 0.068 0.000 0.984 2064 V HN 0.898 nan 8.190 nan 0.000 0.451 2065 C N 3.508 122.871 119.300 0.105 0.000 3.082 2065 C HA 0.902 5.361 4.460 -0.001 0.000 0.384 2065 C C 0.348 175.403 174.990 0.107 0.000 1.832 2065 C CA -0.103 58.987 59.018 0.121 0.000 1.605 2065 C CB 2.277 30.075 27.740 0.096 0.000 2.303 2065 C HN 0.883 nan 8.230 nan 0.000 0.473 2066 S N -0.992 114.775 115.700 0.111 0.000 2.540 2066 S HA 0.554 5.023 4.470 -0.001 0.000 0.275 2066 S C 0.362 175.018 174.600 0.093 0.000 1.123 2066 S CA 0.296 58.565 58.200 0.115 0.000 0.907 2066 S CB 1.642 64.940 63.200 0.163 0.000 1.081 2066 S HN 0.996 nan 8.310 nan 0.000 0.476 2067 T N 1.003 115.603 114.554 0.077 0.000 3.071 2067 T HA 0.638 4.987 4.350 -0.001 0.000 0.239 2067 T C 1.193 175.991 174.700 0.164 0.000 0.997 2067 T CA 0.880 62.995 62.100 0.026 0.000 1.134 2067 T CB -0.444 68.409 68.868 -0.026 0.000 0.928 2067 T HN 1.838 nan 8.240 nan 0.000 0.453 2068 G N 1.049 109.943 108.800 0.157 0.000 2.396 2068 G HA2 0.087 4.046 3.960 -0.001 0.000 0.254 2068 G HA3 0.087 4.046 3.960 -0.001 0.000 0.254 2068 G C -1.249 173.711 174.900 0.100 0.000 1.248 2068 G CA -0.525 44.673 45.100 0.163 0.000 1.033 2068 G HN 0.567 nan 8.290 nan 0.000 0.502 2069 I N 1.864 122.481 120.570 0.079 0.000 2.437 2069 I HA 0.579 4.748 4.170 -0.001 0.000 0.298 2069 I C 1.033 177.186 176.117 0.061 0.000 0.984 2069 I CA 0.452 61.786 61.300 0.056 0.000 1.214 2069 I CB 1.119 39.127 38.000 0.013 0.000 1.365 2069 I HN 2.179 nan 8.210 nan 0.000 0.469 2070 G N 3.567 112.407 108.800 0.067 0.000 2.758 2070 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.686 2070 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.686 2070 G C 0.626 175.559 174.900 0.055 0.000 1.389 2070 G CA -0.355 44.785 45.100 0.066 0.000 0.845 2070 G HN 0.986 nan 8.290 nan 0.000 0.572 2071 G N 0.383 109.216 108.800 0.056 0.000 2.446 2071 G HA2 0.033 3.992 3.960 -0.001 0.000 0.217 2071 G HA3 0.033 3.992 3.960 -0.001 0.000 0.217 2071 G C 0.137 175.059 174.900 0.037 0.000 1.168 2071 G CA 2.075 47.200 45.100 0.043 0.000 0.771 2071 G HN 0.695 nan 8.290 nan 0.000 0.551 2072 P HA -0.071 nan 4.420 nan 0.000 0.215 2072 P C 2.361 179.690 177.300 0.049 0.000 1.157 2072 P CA 1.701 64.826 63.100 0.042 0.000 0.874 2072 P CB -0.062 31.660 31.700 0.037 0.000 0.790 2073 S N -1.466 114.281 115.700 0.079 0.000 2.356 2073 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 2073 S C 1.906 176.506 174.600 0.001 0.000 1.032 2073 S CA 1.914 60.204 58.200 0.150 0.000 1.005 2073 S CB -1.269 62.061 63.200 0.218 0.000 0.867 2073 S HN 0.240 nan 8.310 nan 0.000 0.449 2074 T N 2.170 116.703 114.554 -0.036 0.000 2.652 2074 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 2074 T C 2.198 176.780 174.700 -0.197 0.000 1.039 2074 T CA 1.747 63.770 62.100 -0.129 0.000 1.153 2074 T CB -0.645 68.160 68.868 -0.105 0.000 0.863 2074 T HN 0.646 nan 8.240 nan 0.000 0.428 2075 S N 1.449 117.068 115.700 -0.135 0.000 2.440 2075 S HA -0.070 4.399 4.470 -0.001 0.000 0.240 2075 S C 1.981 176.522 174.600 -0.099 0.000 1.014 2075 S CA 0.896 59.022 58.200 -0.124 0.000 0.980 2075 S CB -0.794 62.449 63.200 0.070 0.000 0.775 2075 S HN 0.508 nan 8.310 nan 0.000 0.499 2076 I N 2.023 122.510 120.570 -0.139 0.000 2.206 2076 I HA -0.025 4.144 4.170 -0.001 0.000 0.239 2076 I C 3.045 178.985 176.117 -0.295 0.000 1.078 2076 I CA 0.917 62.110 61.300 -0.177 0.000 1.367 2076 I CB -0.888 36.996 38.000 -0.194 0.000 1.078 2076 I HN 0.351 nan 8.210 nan 0.000 0.413 2077 A N 0.773 123.278 122.820 -0.525 0.000 1.948 2077 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 2077 A C 2.417 179.860 177.584 -0.234 0.000 1.177 2077 A CA 2.025 53.756 52.037 -0.510 0.000 0.636 2077 A CB -0.973 17.676 19.000 -0.585 0.000 0.815 2077 A HN 0.280 nan 8.150 nan 0.000 0.449 2078 V N 0.848 120.609 119.914 -0.256 0.000 2.407 2078 V HA -0.244 3.875 4.120 -0.001 0.000 0.245 2078 V C 2.526 178.551 176.094 -0.115 0.000 1.041 2078 V CA 2.028 64.166 62.300 -0.270 0.000 1.040 2078 V CB -0.961 30.509 31.823 -0.588 0.000 0.671 2078 V HN 0.911 nan 8.190 nan 0.000 0.455 2079 E N 1.120 121.259 120.200 -0.103 0.000 2.070 2079 E HA -0.296 4.053 4.350 -0.001 0.000 0.197 2079 E C 1.847 178.463 176.600 0.027 0.000 1.004 2079 E CA 1.990 58.386 56.400 -0.006 0.000 0.805 2079 E CB -0.450 29.274 29.700 0.041 0.000 0.744 2079 E HN 0.732 nan 8.360 nan 0.000 0.451 2080 E N 0.350 120.554 120.200 0.006 0.000 2.158 2080 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 2080 E C 2.117 178.746 176.600 0.047 0.000 0.982 2080 E CA 0.457 56.873 56.400 0.027 0.000 0.823 2080 E CB -0.034 29.679 29.700 0.022 0.000 0.766 2080 E HN 0.170 nan 8.360 nan 0.000 0.468 2081 L N 1.345 122.614 121.223 0.077 0.000 2.005 2081 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 2081 L C 2.438 179.388 176.870 0.134 0.000 1.072 2081 L CA 1.809 56.724 54.840 0.124 0.000 0.744 2081 L CB -0.898 41.314 42.059 0.254 0.000 0.895 2081 L HN 0.051 nan 8.230 nan 0.000 0.433 2082 A N -1.152 121.815 122.820 0.245 0.000 1.986 2082 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 2082 A C 2.089 179.722 177.584 0.083 0.000 1.171 2082 A CA 1.671 53.824 52.037 0.194 0.000 0.640 2082 A CB -0.416 18.722 19.000 0.230 0.000 0.811 2082 A HN 0.585 nan 8.150 nan 0.000 0.451 2083 Q N -1.008 118.831 119.800 0.066 0.000 2.187 2083 Q HA 0.011 4.350 4.340 -0.001 0.000 0.199 2083 Q C 1.778 177.790 176.000 0.021 0.000 0.957 2083 Q CA 0.540 56.366 55.803 0.038 0.000 0.857 2083 Q CB -0.508 28.249 28.738 0.033 0.000 0.929 2083 Q HN 0.495 nan 8.270 nan 0.000 0.453 2084 L N -0.187 121.048 121.223 0.020 0.000 2.265 2084 L HA -0.055 4.285 4.340 -0.001 0.000 0.215 2084 L C 1.464 178.329 176.870 -0.008 0.000 1.117 2084 L CA 2.185 57.028 54.840 0.005 0.000 0.782 2084 L CB -0.891 41.173 42.059 0.007 0.000 0.914 2084 L HN 0.504 nan 8.230 nan 0.000 0.441 2085 G N -2.439 106.353 108.800 -0.013 0.000 2.370 2085 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.174 2085 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.174 2085 G C 0.234 175.095 174.900 -0.066 0.000 1.002 2085 G CA -0.375 44.707 45.100 -0.029 0.000 0.730 2085 G HN 0.052 nan 8.290 nan 0.000 0.497 2086 I N 1.394 121.903 120.570 -0.102 0.000 2.529 2086 I HA 0.569 4.739 4.170 -0.001 0.000 0.284 2086 I C 1.351 177.304 176.117 -0.274 0.000 1.082 2086 I CA 0.720 61.874 61.300 -0.242 0.000 1.406 2086 I CB 0.616 38.367 38.000 -0.414 0.000 1.405 2086 I HN 0.383 nan 8.210 nan 0.000 0.548 2087 R N 3.279 123.608 120.500 -0.285 0.000 2.600 2087 R HA 0.474 4.813 4.340 -0.001 0.000 0.392 2087 R C 0.098 176.273 176.300 -0.207 0.000 1.032 2087 R CA -0.176 55.818 56.100 -0.178 0.000 1.139 2087 R CB -0.160 30.097 30.300 -0.072 0.000 1.400 2087 R HN 0.702 nan 8.270 nan 0.000 0.566 2088 T N 0.208 114.501 114.554 -0.435 0.000 3.237 2088 T HA 0.565 4.914 4.350 -0.001 0.000 0.319 2088 T C -1.673 172.759 174.700 -0.446 0.000 1.037 2088 T CA -0.317 61.616 62.100 -0.278 0.000 1.048 2088 T CB 0.704 69.483 68.868 -0.147 0.000 1.081 2088 T HN 0.236 nan 8.240 nan 0.000 0.455 2089 F N 2.880 122.815 119.950 -0.025 0.000 2.460 2089 F HA 0.581 5.107 4.527 -0.001 0.000 0.341 2089 F C -0.143 175.640 175.800 -0.027 0.000 1.130 2089 F CA -0.965 57.017 58.000 -0.030 0.000 0.962 2089 F CB 1.253 40.227 39.000 -0.044 0.000 1.171 2089 F HN 0.202 nan 8.300 nan 0.000 0.436 2090 L N 4.526 125.823 121.223 0.123 0.000 2.305 2090 L HA 0.579 4.918 4.340 -0.001 0.000 0.284 2090 L C -0.227 176.681 176.870 0.064 0.000 1.013 2090 L CA -0.674 54.206 54.840 0.066 0.000 0.819 2090 L CB 1.998 44.071 42.059 0.022 0.000 1.227 2090 L HN 0.611 nan 8.230 nan 0.000 0.417 2091 R N 4.178 124.705 120.500 0.046 0.000 2.589 2091 R HA 0.618 4.957 4.340 -0.001 0.000 0.293 2091 R C -1.282 175.029 176.300 0.019 0.000 0.963 2091 R CA -0.608 55.512 56.100 0.033 0.000 0.905 2091 R CB 2.014 32.328 30.300 0.023 0.000 1.144 2091 R HN 0.516 nan 8.270 nan 0.000 0.459 2092 I N 3.456 124.037 120.570 0.019 0.000 2.478 2092 I HA 0.577 4.746 4.170 -0.001 0.000 0.287 2092 I C -1.031 175.098 176.117 0.020 0.000 1.042 2092 I CA -0.103 61.206 61.300 0.015 0.000 1.067 2092 I CB 1.519 39.526 38.000 0.011 0.000 1.233 2092 I HN 0.848 nan 8.210 nan 0.000 0.431 2093 G N 4.159 112.971 108.800 0.020 0.000 3.022 2093 G HA2 0.698 4.657 3.960 -0.001 0.000 0.284 2093 G HA3 0.698 4.657 3.960 -0.001 0.000 0.284 2093 G C -1.268 173.648 174.900 0.027 0.000 1.375 2093 G CA -0.423 44.696 45.100 0.030 0.000 0.902 2093 G HN 0.553 nan 8.290 nan 0.000 0.538 2094 T N -1.646 112.931 114.554 0.037 0.000 3.135 2094 T HA 0.523 4.872 4.350 -0.001 0.000 0.357 2094 T C 0.154 174.878 174.700 0.040 0.000 1.112 2094 T CA -0.017 62.102 62.100 0.032 0.000 1.290 2094 T CB 0.572 69.463 68.868 0.039 0.000 1.018 2094 T HN 0.925 nan 8.240 nan 0.000 0.527 2095 T N 0.767 115.327 114.554 0.010 0.000 2.867 2095 T HA 0.797 5.147 4.350 -0.001 0.000 0.286 2095 T C 0.702 175.385 174.700 -0.029 0.000 1.022 2095 T CA -0.129 61.965 62.100 -0.010 0.000 0.933 2095 T CB 1.077 69.904 68.868 -0.068 0.000 1.280 2095 T HN 0.801 nan 8.240 nan 0.000 0.566 2096 G N -0.869 107.884 108.800 -0.079 0.000 2.511 2096 G HA2 0.721 4.680 3.960 -0.001 0.000 0.318 2096 G HA3 0.721 4.680 3.960 -0.001 0.000 0.318 2096 G C -1.091 173.734 174.900 -0.124 0.000 1.210 2096 G CA -0.645 44.404 45.100 -0.085 0.000 0.969 2096 G HN 1.056 nan 8.290 nan 0.000 0.484 2097 A N -0.084 122.668 122.820 -0.115 0.000 2.380 2097 A HA 0.660 4.979 4.320 -0.001 0.000 0.315 2097 A C 0.646 178.165 177.584 -0.107 0.000 1.101 2097 A CA -0.733 51.224 52.037 -0.134 0.000 0.771 2097 A CB 1.142 20.043 19.000 -0.165 0.000 1.287 2097 A HN 1.165 nan 8.150 nan 0.000 0.436 2098 I N -2.163 118.343 120.570 -0.106 0.000 3.956 2098 I HA 0.227 4.396 4.170 -0.001 0.000 0.333 2098 I C -0.336 175.750 176.117 -0.051 0.000 1.302 2098 I CA -0.050 61.218 61.300 -0.053 0.000 1.122 2098 I CB 0.153 38.142 38.000 -0.018 0.000 1.013 2098 I HN 0.340 nan 8.210 nan 0.000 0.405 2099 Q N 2.108 121.850 119.800 -0.096 0.000 2.325 2099 Q HA 0.344 4.683 4.340 -0.001 0.000 0.262 2099 Q C -1.927 174.023 176.000 -0.084 0.000 0.968 2099 Q CA -1.821 53.945 55.803 -0.061 0.000 0.877 2099 Q CB 1.932 30.622 28.738 -0.080 0.000 1.253 2099 Q HN 0.011 nan 8.270 nan 0.000 0.448 2100 P HA -0.236 nan 4.420 nan 0.000 0.216 2100 P C 0.927 178.232 177.300 0.008 0.000 1.154 2100 P CA 1.791 64.898 63.100 0.012 0.000 0.865 2100 P CB 0.047 31.774 31.700 0.046 0.000 0.789 2101 H N -2.158 116.875 119.070 -0.062 0.000 2.524 2101 H HA 0.111 4.666 4.556 -0.001 0.000 0.282 2101 H C 0.637 175.917 175.328 -0.080 0.000 1.016 2101 H CA -0.057 55.960 56.048 -0.052 0.000 1.270 2101 H CB -1.023 28.715 29.762 -0.040 0.000 1.394 2101 H HN 0.073 nan 8.280 nan 0.000 0.568 2102 I N 2.582 122.750 120.570 -0.671 0.000 2.436 2102 I HA 0.031 4.200 4.170 -0.001 0.000 0.289 2102 I C -0.355 175.624 176.117 -0.231 0.000 1.083 2102 I CA -0.181 60.756 61.300 -0.605 0.000 1.372 2102 I CB 0.403 37.998 38.000 -0.676 0.000 1.408 2102 I HN 0.308 nan 8.210 nan 0.000 0.516 2103 N N 4.746 123.389 118.700 -0.095 0.000 2.492 2103 N HA 0.322 5.061 4.740 -0.001 0.000 0.289 2103 N C -0.613 174.879 175.510 -0.030 0.000 1.133 2103 N CA -0.525 52.501 53.050 -0.041 0.000 0.961 2103 N CB 1.644 40.129 38.487 -0.004 0.000 1.186 2103 N HN 0.199 nan 8.380 nan 0.000 0.493 2104 V N 1.219 121.113 119.914 -0.033 0.000 2.599 2104 V HA 0.310 4.429 4.120 -0.001 0.000 0.300 2104 V C 1.418 177.489 176.094 -0.038 0.000 1.034 2104 V CA 1.677 63.958 62.300 -0.032 0.000 1.115 2104 V CB 0.232 32.039 31.823 -0.025 0.000 0.934 2104 V HN 1.013 nan 8.190 nan 0.000 0.485 2105 G N 4.027 112.799 108.800 -0.047 0.000 2.352 2105 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.204 2105 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.204 2105 G C -0.082 174.765 174.900 -0.088 0.000 1.004 2105 G CA -0.094 44.954 45.100 -0.087 0.000 0.648 2105 G HN 0.656 nan 8.290 nan 0.000 0.491 2106 D N 0.617 120.999 120.400 -0.031 0.000 2.360 2106 D HA 0.502 5.141 4.640 -0.001 0.000 0.242 2106 D C 0.788 177.094 176.300 0.009 0.000 1.184 2106 D CA -0.036 53.960 54.000 -0.007 0.000 0.930 2106 D CB 1.552 42.426 40.800 0.124 0.000 1.161 2106 D HN 0.282 nan 8.370 nan 0.000 0.447 2107 V N 0.946 120.853 119.914 -0.011 0.000 2.617 2107 V HA 0.418 4.537 4.120 -0.001 0.000 0.298 2107 V C 0.119 176.237 176.094 0.041 0.000 1.048 2107 V CA -0.734 61.566 62.300 0.000 0.000 0.964 2107 V CB 1.106 32.914 31.823 -0.025 0.000 1.004 2107 V HN 0.270 nan 8.190 nan 0.000 0.466 2108 L N 3.909 125.149 121.223 0.027 0.000 2.376 2108 L HA 0.615 4.954 4.340 -0.001 0.000 0.275 2108 L C -0.902 175.970 176.870 0.004 0.000 0.987 2108 L CA -0.609 54.249 54.840 0.030 0.000 0.828 2108 L CB 1.990 44.047 42.059 -0.003 0.000 1.249 2108 L HN 0.377 nan 8.230 nan 0.000 0.409 2109 V N 1.055 120.973 119.914 0.006 0.000 2.326 2109 V HA 0.273 4.392 4.120 -0.001 0.000 0.281 2109 V C 0.224 176.310 176.094 -0.013 0.000 1.015 2109 V CA -0.560 61.734 62.300 -0.010 0.000 0.823 2109 V CB 1.224 33.036 31.823 -0.018 0.000 1.009 2109 V HN 0.735 nan 8.190 nan 0.000 0.436 2110 T N 3.401 117.941 114.554 -0.023 0.000 2.743 2110 T HA 0.102 4.451 4.350 -0.001 0.000 0.290 2110 T C 1.536 176.223 174.700 -0.021 0.000 0.908 2110 T CA 0.344 62.425 62.100 -0.032 0.000 1.092 2110 T CB 0.600 69.441 68.868 -0.045 0.000 0.882 2110 T HN 0.939 nan 8.240 nan 0.000 0.531 2111 T N 0.848 115.392 114.554 -0.015 0.000 2.857 2111 T HA 0.341 4.690 4.350 -0.001 0.000 0.266 2111 T C 0.821 175.516 174.700 -0.007 0.000 1.048 2111 T CA 0.367 62.468 62.100 0.002 0.000 1.139 2111 T CB 0.097 68.973 68.868 0.014 0.000 0.874 2111 T HN 0.757 nan 8.240 nan 0.000 0.455 2112 A N -0.058 122.743 122.820 -0.032 0.000 2.605 2112 A HA 0.656 4.975 4.320 -0.001 0.000 0.294 2112 A C -0.932 176.604 177.584 -0.080 0.000 1.062 2112 A CA -0.854 51.157 52.037 -0.043 0.000 0.682 2112 A CB 1.299 20.274 19.000 -0.040 0.000 1.278 2112 A HN 0.179 nan 8.150 nan 0.000 0.410 2113 S N -0.197 115.453 115.700 -0.084 0.000 2.532 2113 S HA 0.592 5.061 4.470 -0.001 0.000 0.301 2113 S C -0.341 174.159 174.600 -0.166 0.000 1.083 2113 S CA -0.563 57.556 58.200 -0.135 0.000 1.025 2113 S CB 1.699 64.832 63.200 -0.113 0.000 1.056 2113 S HN 0.869 nan 8.310 nan 0.000 0.494 2114 V N 3.396 123.137 119.914 -0.289 0.000 2.415 2114 V HA 0.201 4.320 4.120 -0.001 0.000 0.267 2114 V C 0.614 176.563 176.094 -0.242 0.000 1.042 2114 V CA -0.131 61.951 62.300 -0.364 0.000 1.000 2114 V CB -0.244 31.088 31.823 -0.818 0.000 1.015 2114 V HN 0.670 nan 8.190 nan 0.000 0.478 2115 R N 5.381 125.816 120.500 -0.108 0.000 2.343 2115 R HA 0.332 4.671 4.340 -0.001 0.000 0.326 2115 R C -0.094 176.208 176.300 0.003 0.000 1.055 2115 R CA 0.018 56.102 56.100 -0.027 0.000 0.961 2115 R CB 0.234 30.554 30.300 0.034 0.000 0.978 2115 R HN 0.657 nan 8.270 nan 0.000 0.443 2116 L N 4.095 125.320 121.223 0.003 0.000 3.193 2116 L HA 0.206 4.545 4.340 -0.001 0.000 0.305 2116 L C -0.312 176.595 176.870 0.062 0.000 1.299 2116 L CA -0.270 54.591 54.840 0.036 0.000 0.904 2116 L CB -0.093 41.954 42.059 -0.020 0.000 1.331 2116 L HN 0.703 nan 8.230 nan 0.000 0.588 2117 D N -1.565 118.886 120.400 0.085 0.000 2.687 2117 D HA 0.399 5.039 4.640 -0.001 0.000 0.264 2117 D C 0.485 176.863 176.300 0.129 0.000 1.091 2117 D CA -0.292 53.770 54.000 0.104 0.000 1.123 2117 D CB 2.470 43.325 40.800 0.092 0.000 1.407 2117 D HN -0.029 nan 8.370 nan 0.000 0.591 2118 G N -1.730 107.157 108.800 0.146 0.000 3.342 2118 G HA2 0.354 4.313 3.960 -0.001 0.000 0.252 2118 G HA3 0.354 4.313 3.960 -0.001 0.000 0.252 2118 G C 0.837 175.892 174.900 0.258 0.000 1.011 2118 G CA 0.582 45.788 45.100 0.176 0.000 0.869 2118 G HN 0.600 nan 8.290 nan 0.000 0.514 2119 A N 1.323 124.285 122.820 0.237 0.000 1.984 2119 A HA 0.175 4.495 4.320 -0.001 0.000 0.214 2119 A C 2.564 180.411 177.584 0.438 0.000 1.173 2119 A CA 1.903 54.119 52.037 0.299 0.000 0.673 2119 A CB -0.389 18.725 19.000 0.189 0.000 0.830 2119 A HN 0.593 nan 8.150 nan 0.000 0.453 2120 S N 0.180 116.070 115.700 0.317 0.000 2.402 2120 S HA -0.095 4.374 4.470 -0.001 0.000 0.229 2120 S C 1.433 176.205 174.600 0.287 0.000 1.021 2120 S CA 1.327 59.720 58.200 0.322 0.000 0.974 2120 S CB -0.567 62.727 63.200 0.156 0.000 0.800 2120 S HN 0.238 nan 8.310 nan 0.000 0.484 2121 L N 1.267 122.596 121.223 0.177 0.000 2.549 2121 L HA 0.063 4.402 4.340 -0.001 0.000 0.230 2121 L C 1.850 178.632 176.870 -0.146 0.000 1.162 2121 L CA 1.299 56.152 54.840 0.023 0.000 0.834 2121 L CB -1.055 40.990 42.059 -0.022 0.000 0.947 2121 L HN 0.367 nan 8.230 nan 0.000 0.452 2122 H N -2.956 116.067 119.070 -0.078 0.000 2.544 2122 H HA 0.095 4.650 4.556 -0.001 0.000 0.269 2122 H C 1.483 176.488 175.328 -0.539 0.000 0.970 2122 H CA 0.852 56.699 56.048 -0.335 0.000 1.219 2122 H CB 0.113 29.581 29.762 -0.490 0.000 1.421 2122 H HN 0.214 nan 8.280 nan 0.000 0.555 2123 F N -0.380 119.581 119.950 0.017 0.000 2.343 2123 F HA 0.478 5.004 4.527 -0.001 0.000 0.286 2123 F C 0.979 176.699 175.800 -0.133 0.000 1.057 2123 F CA 0.388 58.353 58.000 -0.059 0.000 1.365 2123 F CB 0.536 39.487 39.000 -0.081 0.000 1.114 2123 F HN -0.004 nan 8.300 nan 0.000 0.545 2124 A N 0.603 123.443 122.820 0.032 0.000 2.465 2124 A HA 0.532 4.851 4.320 -0.001 0.000 0.292 2124 A C -2.716 174.873 177.584 0.007 0.000 1.041 2124 A CA -1.460 50.521 52.037 -0.093 0.000 0.718 2124 A CB 0.450 19.191 19.000 -0.432 0.000 1.266 2124 A HN -0.134 nan 8.150 nan 0.000 0.403 2125 P HA -0.024 nan 4.420 nan 0.000 0.269 2125 P C 0.743 178.103 177.300 0.099 0.000 1.211 2125 P CA -0.123 63.004 63.100 0.046 0.000 0.781 2125 P CB 0.681 32.404 31.700 0.039 0.000 0.877 2126 L N 0.852 122.124 121.223 0.082 0.000 2.841 2126 L HA -0.166 4.173 4.340 -0.001 0.000 0.249 2126 L C 1.620 178.551 176.870 0.103 0.000 1.177 2126 L CA 1.706 56.604 54.840 0.096 0.000 0.864 2126 L CB -0.889 41.221 42.059 0.084 0.000 1.026 2126 L HN 0.347 nan 8.230 nan 0.000 0.457 2127 E N -2.151 118.121 120.200 0.120 0.000 2.330 2127 E HA 0.077 4.427 4.350 -0.001 0.000 0.200 2127 E C 0.137 176.809 176.600 0.120 0.000 0.922 2127 E CA -0.173 56.288 56.400 0.103 0.000 0.935 2127 E CB 0.162 29.914 29.700 0.087 0.000 0.917 2127 E HN 0.264 nan 8.360 nan 0.000 0.491 2128 F N 3.822 123.787 119.950 0.025 0.000 2.484 2128 F HA 0.234 4.760 4.527 -0.002 0.000 0.360 2128 F C -2.079 173.732 175.800 0.018 0.000 1.101 2128 F CA -2.779 55.234 58.000 0.023 0.000 1.251 2128 F CB 0.588 39.606 39.000 0.030 0.000 1.132 2128 F HN -0.139 nan 8.300 nan 0.000 0.570 2129 P HA 0.221 nan 4.420 nan 0.000 0.279 2129 P C -1.523 175.806 177.300 0.049 0.000 1.239 2129 P CA -0.519 62.500 63.100 -0.135 0.000 0.789 2129 P CB 1.370 32.920 31.700 -0.250 0.000 0.933 2130 A N 3.519 126.388 122.820 0.081 0.000 2.923 2130 A HA 0.356 4.675 4.320 -0.001 0.000 0.306 2130 A C -0.047 177.561 177.584 0.040 0.000 1.542 2130 A CA -0.479 51.622 52.037 0.105 0.000 1.225 2130 A CB -0.647 18.383 19.000 0.049 0.000 1.147 2130 A HN 0.454 nan 8.150 nan 0.000 0.542 2131 V N 2.633 122.581 119.914 0.056 0.000 2.513 2131 V HA 0.726 4.846 4.120 -0.001 0.000 0.299 2131 V C 0.527 176.653 176.094 0.052 0.000 1.035 2131 V CA -0.241 62.073 62.300 0.024 0.000 0.889 2131 V CB 1.434 33.245 31.823 -0.020 0.000 0.988 2131 V HN 1.024 nan 8.190 nan 0.000 0.440 2132 A N 4.422 127.265 122.820 0.039 0.000 2.351 2132 A HA 0.426 4.746 4.320 -0.001 0.000 0.257 2132 A C 0.126 177.753 177.584 0.072 0.000 1.087 2132 A CA -0.162 51.903 52.037 0.045 0.000 0.798 2132 A CB 0.242 19.257 19.000 0.025 0.000 1.033 2132 A HN 1.041 nan 8.150 nan 0.000 0.488 2133 D N -0.185 120.259 120.400 0.073 0.000 2.362 2133 D HA 0.109 4.749 4.640 -0.001 0.000 0.238 2133 D C 0.606 176.972 176.300 0.109 0.000 1.212 2133 D CA 0.241 54.299 54.000 0.097 0.000 0.902 2133 D CB 0.179 41.026 40.800 0.078 0.000 1.180 2133 D HN 0.395 nan 8.370 nan 0.000 0.445 2134 F N 0.687 120.643 119.950 0.010 0.000 2.262 2134 F HA 0.095 4.621 4.527 -0.001 0.000 0.292 2134 F C 2.005 177.807 175.800 0.003 0.000 1.081 2134 F CA 0.708 58.710 58.000 0.004 0.000 1.355 2134 F CB 0.174 39.174 39.000 0.001 0.000 1.069 2134 F HN 0.477 nan 8.300 nan 0.000 0.506 2135 E N -0.548 119.604 120.200 -0.079 0.000 2.150 2135 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 2135 E C 2.257 178.767 176.600 -0.151 0.000 0.985 2135 E CA 1.282 57.598 56.400 -0.140 0.000 0.814 2135 E CB -0.342 29.347 29.700 -0.018 0.000 0.752 2135 E HN 0.435 nan 8.360 nan 0.000 0.466 2136 C N 0.206 119.452 119.300 -0.090 0.000 2.466 2136 C HA -0.064 4.396 4.460 -0.001 0.000 0.278 2136 C C 2.796 177.728 174.990 -0.098 0.000 1.288 2136 C CA 0.974 59.952 59.018 -0.066 0.000 1.722 2136 C CB -0.714 27.017 27.740 -0.014 0.000 2.017 2136 C HN 0.475 nan 8.230 nan 0.000 0.488 2137 T N 0.203 114.677 114.554 -0.132 0.000 2.951 2137 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 2137 T C 1.774 176.348 174.700 -0.210 0.000 1.073 2137 T CA 1.731 63.749 62.100 -0.137 0.000 1.134 2137 T CB -0.294 68.516 68.868 -0.097 0.000 0.884 2137 T HN 0.574 nan 8.240 nan 0.000 0.479 2138 T N 2.077 116.422 114.554 -0.348 0.000 2.668 2138 T HA 0.026 4.375 4.350 -0.001 0.000 0.262 2138 T C 2.477 177.067 174.700 -0.183 0.000 1.045 2138 T CA 1.123 63.019 62.100 -0.340 0.000 1.152 2138 T CB -0.651 67.918 68.868 -0.499 0.000 0.864 2138 T HN 0.395 nan 8.240 nan 0.000 0.419 2139 A N 1.405 124.134 122.820 -0.152 0.000 1.884 2139 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 2139 A C 2.315 179.854 177.584 -0.075 0.000 1.197 2139 A CA 1.704 53.684 52.037 -0.095 0.000 0.637 2139 A CB -1.129 17.825 19.000 -0.076 0.000 0.827 2139 A HN 0.482 nan 8.150 nan 0.000 0.450 2140 L N -0.244 120.935 121.223 -0.074 0.000 2.083 2140 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 2140 L C 2.642 179.480 176.870 -0.053 0.000 1.083 2140 L CA 1.438 56.245 54.840 -0.054 0.000 0.752 2140 L CB -0.503 41.528 42.059 -0.047 0.000 0.899 2140 L HN 0.499 nan 8.230 nan 0.000 0.433 2141 V N -1.920 117.953 119.914 -0.068 0.000 2.649 2141 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 2141 V C 2.140 178.201 176.094 -0.054 0.000 1.054 2141 V CA 1.492 63.757 62.300 -0.059 0.000 1.073 2141 V CB -0.614 31.171 31.823 -0.063 0.000 0.699 2141 V HN 0.673 nan 8.190 nan 0.000 0.463 2142 E N 1.742 121.905 120.200 -0.061 0.000 2.250 2142 E HA 0.128 4.478 4.350 -0.001 0.000 0.192 2142 E C 2.038 178.614 176.600 -0.040 0.000 0.986 2142 E CA 0.998 57.369 56.400 -0.049 0.000 0.849 2142 E CB -0.348 29.320 29.700 -0.054 0.000 0.797 2142 E HN 0.577 nan 8.360 nan 0.000 0.482 2143 A N 1.429 124.224 122.820 -0.042 0.000 2.119 2143 A HA 0.212 4.531 4.320 -0.001 0.000 0.217 2143 A C 2.314 179.881 177.584 -0.027 0.000 1.153 2143 A CA 1.101 53.118 52.037 -0.034 0.000 0.692 2143 A CB -0.345 18.634 19.000 -0.034 0.000 0.799 2143 A HN 0.381 nan 8.150 nan 0.000 0.458 2144 A N -0.871 121.932 122.820 -0.029 0.000 2.178 2144 A HA 0.107 4.426 4.320 -0.001 0.000 0.211 2144 A C 1.986 179.555 177.584 -0.024 0.000 1.157 2144 A CA 0.808 52.831 52.037 -0.023 0.000 0.780 2144 A CB -0.123 18.859 19.000 -0.030 0.000 0.828 2144 A HN 0.341 nan 8.150 nan 0.000 0.476 2145 K N 0.642 121.025 120.400 -0.028 0.000 2.167 2145 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 2145 K C 1.185 177.774 176.600 -0.019 0.000 1.052 2145 K CA 1.220 57.492 56.287 -0.025 0.000 0.956 2145 K CB -0.054 32.430 32.500 -0.027 0.000 0.735 2145 K HN 0.561 nan 8.250 nan 0.000 0.451 2146 S N 0.724 116.412 115.700 -0.020 0.000 2.815 2146 S HA 0.176 4.645 4.470 -0.001 0.000 0.254 2146 S C 0.919 175.509 174.600 -0.017 0.000 1.197 2146 S CA -0.180 58.010 58.200 -0.018 0.000 1.216 2146 S CB -0.090 63.098 63.200 -0.020 0.000 0.871 2146 S HN 0.097 nan 8.310 nan 0.000 0.473 2147 I N -0.627 119.937 120.570 -0.009 0.000 5.242 2147 I HA 0.239 4.408 4.170 -0.001 0.000 0.360 2147 I C 1.269 177.398 176.117 0.020 0.000 1.201 2147 I CA 0.760 62.059 61.300 -0.002 0.000 1.527 2147 I CB -0.326 37.678 38.000 0.006 0.000 1.769 2147 I HN 0.549 nan 8.210 nan 0.000 0.603 2148 G N 2.883 111.690 108.800 0.011 0.000 2.204 2148 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.244 2148 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.244 2148 G C 0.269 175.179 174.900 0.016 0.000 1.062 2148 G CA 0.331 45.438 45.100 0.012 0.000 0.798 2148 G HN 0.714 nan 8.290 nan 0.000 0.496 2149 A N 0.281 123.103 122.820 0.004 0.000 2.287 2149 A HA 0.772 5.091 4.320 -0.001 0.000 0.317 2149 A C 0.709 178.245 177.584 -0.080 0.000 1.220 2149 A CA 0.293 52.317 52.037 -0.022 0.000 0.835 2149 A CB 0.719 19.722 19.000 0.005 0.000 1.180 2149 A HN 0.908 nan 8.150 nan 0.000 0.500 2150 T N 3.581 118.066 114.554 -0.116 0.000 2.972 2150 T HA 0.095 4.444 4.350 -0.001 0.000 0.245 2150 T C 0.680 175.173 174.700 -0.346 0.000 0.977 2150 T CA 0.880 62.859 62.100 -0.202 0.000 1.266 2150 T CB -1.062 67.690 68.868 -0.193 0.000 0.985 2150 T HN 0.632 nan 8.240 nan 0.000 0.605 2151 T N 3.768 118.162 114.554 -0.266 0.000 2.913 2151 T HA 0.180 4.529 4.350 -0.001 0.000 0.297 2151 T C 0.124 174.616 174.700 -0.346 0.000 1.029 2151 T CA -0.209 61.750 62.100 -0.235 0.000 1.104 2151 T CB 0.277 69.079 68.868 -0.110 0.000 0.964 2151 T HN 0.568 nan 8.240 nan 0.000 0.532 2152 H N 0.422 119.477 119.070 -0.026 0.000 2.646 2152 H HA 0.511 5.066 4.556 -0.001 0.000 0.328 2152 H C -0.639 174.676 175.328 -0.021 0.000 0.998 2152 H CA -0.693 55.344 56.048 -0.019 0.000 1.225 2152 H CB 1.020 30.755 29.762 -0.044 0.000 1.457 2152 H HN 0.272 nan 8.280 nan 0.000 0.505 2153 V N 3.396 123.368 119.914 0.097 0.000 2.481 2153 V HA 0.760 4.880 4.120 -0.001 0.000 0.286 2153 V C 0.729 176.847 176.094 0.041 0.000 1.042 2153 V CA 0.385 62.712 62.300 0.046 0.000 0.928 2153 V CB 1.254 33.093 31.823 0.026 0.000 0.986 2153 V HN 1.065 nan 8.190 nan 0.000 0.462 2154 G N 3.312 112.118 108.800 0.010 0.000 2.452 2154 G HA2 0.356 4.315 3.960 -0.001 0.000 0.224 2154 G HA3 0.356 4.315 3.960 -0.001 0.000 0.224 2154 G C -1.589 173.286 174.900 -0.043 0.000 1.208 2154 G CA -0.335 44.759 45.100 -0.009 0.000 0.946 2154 G HN 0.533 nan 8.290 nan 0.000 0.481 2155 V N 1.045 120.916 119.914 -0.071 0.000 2.435 2155 V HA 0.700 4.819 4.120 -0.001 0.000 0.290 2155 V C -0.084 175.901 176.094 -0.181 0.000 1.030 2155 V CA -0.283 61.945 62.300 -0.120 0.000 0.881 2155 V CB 1.479 33.223 31.823 -0.131 0.000 0.983 2155 V HN 0.790 nan 8.190 nan 0.000 0.445 2156 T N 3.866 118.298 114.554 -0.203 0.000 2.829 2156 T HA 0.669 5.018 4.350 -0.001 0.000 0.280 2156 T C -0.101 174.394 174.700 -0.341 0.000 0.999 2156 T CA -0.342 61.604 62.100 -0.256 0.000 0.983 2156 T CB 1.663 70.425 68.868 -0.176 0.000 0.968 2156 T HN 0.859 nan 8.240 nan 0.000 0.446 2157 A N 2.686 125.217 122.820 -0.483 0.000 2.260 2157 A HA 0.619 4.938 4.320 -0.001 0.000 0.312 2157 A C 0.488 177.903 177.584 -0.282 0.000 1.321 2157 A CA -0.721 50.977 52.037 -0.565 0.000 0.928 2157 A CB 0.116 18.512 19.000 -1.006 0.000 1.158 2157 A HN 0.797 nan 8.150 nan 0.000 0.542 2158 S N 2.724 118.321 115.700 -0.171 0.000 2.448 2158 S HA 0.582 5.051 4.470 -0.001 0.000 0.320 2158 S C 0.090 174.705 174.600 0.025 0.000 1.071 2158 S CA -0.110 58.071 58.200 -0.033 0.000 1.113 2158 S CB 1.081 64.265 63.200 -0.027 0.000 0.972 2158 S HN 1.003 nan 8.310 nan 0.000 0.465 2159 S N 1.806 117.582 115.700 0.127 0.000 2.730 2159 S HA 0.423 4.892 4.470 -0.001 0.000 0.284 2159 S C 0.206 174.885 174.600 0.131 0.000 1.153 2159 S CA -0.435 57.839 58.200 0.124 0.000 0.995 2159 S CB 1.190 64.501 63.200 0.185 0.000 1.058 2159 S HN 0.760 nan 8.310 nan 0.000 0.552 2160 D N 0.033 120.495 120.400 0.102 0.000 2.389 2160 D HA 0.225 4.864 4.640 -0.001 0.000 0.206 2160 D C 0.320 176.685 176.300 0.108 0.000 1.055 2160 D CA 0.563 54.627 54.000 0.108 0.000 0.856 2160 D CB 0.560 41.425 40.800 0.109 0.000 0.957 2160 D HN 0.690 nan 8.370 nan 0.000 0.509 2161 T N -3.682 110.938 114.554 0.110 0.000 2.901 2161 T HA 0.353 4.702 4.350 -0.001 0.000 0.293 2161 T C 0.002 174.771 174.700 0.114 0.000 1.084 2161 T CA -0.809 61.352 62.100 0.103 0.000 1.008 2161 T CB 0.638 69.566 68.868 0.099 0.000 1.170 2161 T HN -0.054 nan 8.240 nan 0.000 0.509 2162 F N 3.497 123.329 119.950 -0.196 0.000 2.573 2162 F HA 0.139 4.665 4.527 -0.002 0.000 0.345 2162 F C -0.179 175.367 175.800 -0.424 0.000 1.273 2162 F CA -0.690 57.008 58.000 -0.502 0.000 1.190 2162 F CB -1.002 37.747 39.000 -0.418 0.000 1.654 2162 F HN 0.574 nan 8.300 nan 0.000 0.682 2163 Y N 1.191 121.431 120.300 -0.099 0.000 2.783 2163 Y HA -0.261 4.288 4.550 -0.001 0.000 0.143 2163 Y C -2.130 173.536 175.900 -0.390 0.000 1.735 2163 Y CA -1.746 56.068 58.100 -0.477 0.000 1.154 2163 Y CB -2.396 35.449 38.460 -1.025 0.000 1.768 2163 Y HN 0.364 nan 8.280 nan 0.000 0.305 2164 P HA 0.282 nan 4.420 nan 0.000 0.323 2164 P C 1.160 178.467 177.300 0.011 0.000 1.374 2164 P CA 0.927 64.019 63.100 -0.014 0.000 0.798 2164 P CB 0.214 31.886 31.700 -0.047 0.000 1.763 2165 G N -1.860 107.002 108.800 0.103 0.000 2.749 2165 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.242 2165 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.242 2165 G C 0.555 175.505 174.900 0.084 0.000 1.364 2165 G CA 0.505 45.672 45.100 0.112 0.000 0.888 2165 G HN 0.578 nan 8.290 nan 0.000 0.566 2166 Q N -1.302 118.541 119.800 0.073 0.000 1.579 2166 Q HA 0.173 4.512 4.340 -0.001 0.000 0.490 2166 Q C 1.900 177.930 176.000 0.050 0.000 0.970 2166 Q CA 2.432 58.271 55.803 0.059 0.000 0.898 2166 Q CB -0.193 28.573 28.738 0.046 0.000 0.936 2166 Q HN 1.016 nan 8.270 nan 0.000 0.385 2167 E N -2.203 118.020 120.200 0.038 0.000 4.120 2167 E HA -0.422 3.928 4.350 -0.001 0.000 0.191 2167 E C 0.921 177.529 176.600 0.014 0.000 1.227 2167 E CA 1.686 58.089 56.400 0.004 0.000 2.327 2167 E CB -0.645 29.004 29.700 -0.085 0.000 1.820 2167 E HN 0.434 nan 8.360 nan 0.000 0.383 2168 R N -3.687 116.841 120.500 0.047 0.000 2.809 2168 R HA -0.131 4.209 4.340 -0.001 0.000 0.023 2168 R C -0.093 176.312 176.300 0.175 0.000 0.871 2168 R CA 0.731 56.880 56.100 0.083 0.000 2.887 2168 R CB -1.086 29.251 30.300 0.061 0.000 0.671 2168 R HN 0.458 nan 8.270 nan 0.000 0.605 2169 Y N 2.778 123.083 120.300 0.008 0.000 4.656 2169 Y HA -0.367 4.183 4.550 -0.001 0.000 0.221 2169 Y C -0.654 175.262 175.900 0.026 0.000 1.045 2169 Y CA 1.116 59.218 58.100 0.002 0.000 1.926 2169 Y CB -0.856 37.587 38.460 -0.027 0.000 1.618 2169 Y HN 0.691 nan 8.280 nan 0.000 0.615 2170 D N -0.299 120.203 120.400 0.169 0.000 2.955 2170 D HA -0.193 4.446 4.640 -0.001 0.000 0.226 2170 D C 0.406 176.763 176.300 0.095 0.000 1.178 2170 D CA 1.396 55.456 54.000 0.099 0.000 0.808 2170 D CB -1.607 39.231 40.800 0.063 0.000 1.099 2170 D HN 0.662 nan 8.370 nan 0.000 0.421 2171 T N -0.713 113.917 114.554 0.127 0.000 2.447 2171 T HA -0.185 4.164 4.350 -0.001 0.000 0.224 2171 T C 0.318 175.106 174.700 0.146 0.000 1.058 2171 T CA -0.295 61.877 62.100 0.121 0.000 1.224 2171 T CB -0.040 68.907 68.868 0.132 0.000 1.029 2171 T HN 0.155 nan 8.240 nan 0.000 0.475 2172 Y N 3.852 124.143 120.300 -0.015 0.000 2.677 2172 Y HA 0.400 4.949 4.550 -0.001 0.000 0.335 2172 Y C 0.580 176.486 175.900 0.009 0.000 1.162 2172 Y CA -0.151 57.944 58.100 -0.009 0.000 1.483 2172 Y CB 0.052 38.497 38.460 -0.025 0.000 1.209 2172 Y HN 0.951 nan 8.280 nan 0.000 0.528 2173 S N 2.134 117.731 115.700 -0.171 0.000 3.341 2173 S HA 0.754 5.223 4.470 -0.001 0.000 0.326 2173 S C 0.337 174.791 174.600 -0.242 0.000 1.178 2173 S CA -0.207 57.863 58.200 -0.216 0.000 1.002 2173 S CB 1.228 64.394 63.200 -0.056 0.000 1.385 2173 S HN 1.119 nan 8.310 nan 0.000 0.710 2174 G N -0.687 108.035 108.800 -0.130 0.000 2.901 2174 G HA2 0.144 4.103 3.960 -0.001 0.000 0.194 2174 G HA3 0.144 4.103 3.960 -0.001 0.000 0.194 2174 G C 0.250 175.106 174.900 -0.074 0.000 1.020 2174 G CA 0.686 45.728 45.100 -0.097 0.000 0.787 2174 G HN 1.311 nan 8.290 nan 0.000 0.477 2175 R N 0.730 121.178 120.500 -0.087 0.000 2.776 2175 R HA 0.865 5.205 4.340 -0.001 0.000 0.391 2175 R C 2.062 178.341 176.300 -0.035 0.000 1.116 2175 R CA 1.111 57.178 56.100 -0.055 0.000 1.056 2175 R CB -1.164 29.100 30.300 -0.061 0.000 1.369 2175 R HN 2.124 nan 8.270 nan 0.000 0.590 2176 V N -2.224 117.674 119.914 -0.027 0.000 0.747 2176 V HA -0.319 3.801 4.120 -0.001 0.000 0.093 2176 V C 0.808 176.919 176.094 0.028 0.000 0.780 2176 V CA 1.651 63.953 62.300 0.003 0.000 3.076 2176 V CB -1.637 30.195 31.823 0.016 0.000 0.223 2176 V HN 0.666 nan 8.190 nan 0.000 0.106 2177 V N 0.356 120.303 119.914 0.056 0.000 3.078 2177 V HA 0.687 4.807 4.120 -0.001 0.000 0.311 2177 V C 0.625 176.775 176.094 0.095 0.000 1.138 2177 V CA -0.568 61.792 62.300 0.101 0.000 1.007 2177 V CB 1.622 33.527 31.823 0.137 0.000 1.045 2177 V HN 0.943 nan 8.190 nan 0.000 0.432 2178 R N 1.277 121.850 120.500 0.122 0.000 0.907 2178 R HA 0.142 4.481 4.340 -0.001 0.000 0.051 2178 R C 1.240 177.592 176.300 0.087 0.000 0.449 2178 R CA 0.725 56.886 56.100 0.102 0.000 2.146 2178 R CB -0.429 29.970 30.300 0.166 0.000 0.497 2178 R HN 0.972 nan 8.270 nan 0.000 0.796 2179 H N -0.821 118.078 119.070 -0.285 0.000 2.842 2179 H HA 0.237 4.793 4.556 -0.000 0.000 0.312 2179 H C 0.217 175.386 175.328 -0.264 0.000 1.137 2179 H CA -0.130 55.743 56.048 -0.292 0.000 1.176 2179 H CB -0.591 28.964 29.762 -0.346 0.000 1.361 2179 H HN 0.246 nan 8.280 nan 0.000 0.557 2180 F N -0.576 119.398 119.950 0.039 0.000 2.936 2180 F HA 0.180 4.707 4.527 -0.000 0.000 0.334 2180 F C 1.519 177.332 175.800 0.022 0.000 1.170 2180 F CA -0.716 57.284 58.000 0.001 0.000 1.104 2180 F CB 0.778 39.780 39.000 0.003 0.000 1.216 2180 F HN 0.029 nan 8.300 nan 0.000 0.518 2181 K N 1.505 122.014 120.400 0.182 0.000 1.973 2181 K HA 0.005 4.324 4.320 -0.001 0.000 0.210 2181 K C 1.997 178.639 176.600 0.069 0.000 1.045 2181 K CA 1.735 58.090 56.287 0.114 0.000 0.937 2181 K CB -0.907 31.638 32.500 0.075 0.000 0.721 2181 K HN 0.193 nan 8.250 nan 0.000 0.438 2182 G N -0.141 108.677 108.800 0.030 0.000 3.234 2182 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.221 2182 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.221 2182 G C 0.957 175.807 174.900 -0.083 0.000 1.229 2182 G CA 0.649 45.739 45.100 -0.016 0.000 0.909 2182 G HN 0.424 nan 8.290 nan 0.000 0.510 2183 S N -0.653 115.002 115.700 -0.075 0.000 2.489 2183 S HA 0.041 4.510 4.470 -0.001 0.000 0.228 2183 S C 2.113 176.528 174.600 -0.309 0.000 0.995 2183 S CA 0.215 58.243 58.200 -0.286 0.000 0.934 2183 S CB -0.102 63.026 63.200 -0.120 0.000 0.771 2183 S HN 0.170 nan 8.310 nan 0.000 0.522 2184 M N 1.833 121.428 119.600 -0.010 0.000 2.123 2184 M HA 0.083 4.563 4.480 -0.001 0.000 0.263 2184 M C 1.837 178.172 176.300 0.058 0.000 1.069 2184 M CA 1.584 56.969 55.300 0.142 0.000 1.133 2184 M CB -0.901 31.795 32.600 0.160 0.000 1.356 2184 M HN 0.336 nan 8.290 nan 0.000 0.415 2185 E N -0.397 119.801 120.200 -0.004 0.000 2.274 2185 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 2185 E C 1.751 178.323 176.600 -0.048 0.000 0.996 2185 E CA 0.820 57.214 56.400 -0.009 0.000 0.840 2185 E CB -0.184 29.509 29.700 -0.012 0.000 0.772 2185 E HN 0.588 nan 8.360 nan 0.000 0.491 2186 E N 0.463 120.571 120.200 -0.152 0.000 2.031 2186 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 2186 E C 1.837 178.373 176.600 -0.108 0.000 0.994 2186 E CA 1.469 57.734 56.400 -0.225 0.000 0.800 2186 E CB -0.222 29.209 29.700 -0.448 0.000 0.752 2186 E HN 0.302 nan 8.360 nan 0.000 0.447 2187 W N 0.999 122.274 121.300 -0.041 0.000 2.335 2187 W HA -0.200 4.459 4.660 -0.001 0.000 0.311 2187 W C 2.678 179.138 176.519 -0.097 0.000 1.213 2187 W CA 0.777 58.063 57.345 -0.097 0.000 1.274 2187 W CB -0.351 28.993 29.460 -0.194 0.000 1.148 2187 W HN 0.266 nan 8.180 nan 0.000 0.498 2188 Q N 0.703 120.600 119.800 0.161 0.000 2.133 2188 Q HA -0.280 4.059 4.340 -0.001 0.000 0.208 2188 Q C 2.268 178.297 176.000 0.049 0.000 0.991 2188 Q CA 2.232 58.076 55.803 0.069 0.000 0.867 2188 Q CB -0.374 28.393 28.738 0.049 0.000 0.911 2188 Q HN 0.308 nan 8.270 nan 0.000 0.417 2189 A N 0.164 123.009 122.820 0.042 0.000 1.968 2189 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 2189 A C 1.713 179.320 177.584 0.038 0.000 1.169 2189 A CA 0.872 52.924 52.037 0.025 0.000 0.638 2189 A CB -0.234 18.770 19.000 0.006 0.000 0.812 2189 A HN 0.427 nan 8.150 nan 0.000 0.446 2190 M N -0.092 119.554 119.600 0.076 0.000 2.704 2190 M HA 0.155 4.634 4.480 -0.001 0.000 0.215 2190 M C 1.178 177.510 176.300 0.054 0.000 1.156 2190 M CA 0.608 55.960 55.300 0.086 0.000 1.002 2190 M CB -0.265 32.440 32.600 0.175 0.000 1.781 2190 M HN 0.560 nan 8.290 nan 0.000 0.486 2191 G N 0.749 109.569 108.800 0.034 0.000 2.258 2191 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.274 2191 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.274 2191 G C 0.020 174.911 174.900 -0.014 0.000 1.021 2191 G CA -0.092 45.017 45.100 0.014 0.000 0.798 2191 G HN 0.391 nan 8.290 nan 0.000 0.507 2192 V N 1.527 121.424 119.914 -0.028 0.000 2.508 2192 V HA 0.332 4.452 4.120 -0.001 0.000 0.281 2192 V C 1.720 177.731 176.094 -0.139 0.000 1.041 2192 V CA 0.670 62.896 62.300 -0.122 0.000 1.016 2192 V CB 1.194 32.902 31.823 -0.191 0.000 0.984 2192 V HN 0.513 nan 8.190 nan 0.000 0.478 2193 M N 3.384 122.887 119.600 -0.162 0.000 2.248 2193 M HA 0.221 4.700 4.480 -0.001 0.000 0.265 2193 M C 0.578 176.751 176.300 -0.211 0.000 1.079 2193 M CA 0.928 56.127 55.300 -0.169 0.000 1.150 2193 M CB -0.004 32.507 32.600 -0.150 0.000 1.366 2193 M HN 0.721 nan 8.290 nan 0.000 0.433 2194 N N -1.189 117.356 118.700 -0.260 0.000 2.825 2194 N HA 0.292 5.031 4.740 -0.001 0.000 0.253 2194 N C -2.018 173.253 175.510 -0.398 0.000 1.426 2194 N CA -0.711 52.174 53.050 -0.275 0.000 0.851 2194 N CB 1.261 39.630 38.487 -0.197 0.000 1.470 2194 N HN 0.106 nan 8.380 nan 0.000 0.517 2195 Y N -0.571 119.471 120.300 -0.430 0.000 2.596 2195 Y HA 0.646 5.195 4.550 -0.001 0.000 0.326 2195 Y C 0.849 176.373 175.900 -0.627 0.000 1.167 2195 Y CA 0.122 57.866 58.100 -0.595 0.000 1.246 2195 Y CB 1.060 38.945 38.460 -0.959 0.000 1.347 2195 Y HN 0.756 nan 8.280 nan 0.000 0.515 2196 E N 0.085 120.101 120.200 -0.307 0.000 2.271 2196 E HA 0.099 4.448 4.350 -0.001 0.000 0.262 2196 E C -1.644 175.060 176.600 0.174 0.000 1.352 2196 E CA -0.243 56.118 56.400 -0.065 0.000 0.906 2196 E CB 0.206 29.868 29.700 -0.063 0.000 1.492 2196 E HN 0.716 nan 8.360 nan 0.000 0.429 2197 M N 0.289 120.019 119.600 0.217 0.000 2.231 2197 M HA 0.232 4.711 4.480 -0.001 0.000 0.347 2197 M C 0.536 176.900 176.300 0.106 0.000 0.901 2197 M CA 0.131 55.549 55.300 0.197 0.000 1.064 2197 M CB 0.833 33.595 32.600 0.269 0.000 1.861 2197 M HN 0.291 nan 8.290 nan 0.000 0.638 2198 E N 0.048 120.290 120.200 0.069 0.000 2.490 2198 E HA 0.083 4.432 4.350 -0.001 0.000 0.209 2198 E C 1.864 178.454 176.600 -0.017 0.000 0.971 2198 E CA 0.640 57.055 56.400 0.025 0.000 0.988 2198 E CB 0.252 29.963 29.700 0.019 0.000 1.029 2198 E HN 0.373 nan 8.360 nan 0.000 0.496 2199 S N 0.713 116.402 115.700 -0.019 0.000 2.383 2199 S HA -0.099 4.370 4.470 -0.001 0.000 0.227 2199 S C 2.282 176.854 174.600 -0.047 0.000 1.026 2199 S CA 0.787 58.962 58.200 -0.042 0.000 0.981 2199 S CB -0.381 62.794 63.200 -0.042 0.000 0.818 2199 S HN 0.235 nan 8.310 nan 0.000 0.472 2200 A N 2.345 125.147 122.820 -0.030 0.000 1.896 2200 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 2200 A C 2.473 180.044 177.584 -0.022 0.000 1.206 2200 A CA 2.662 54.690 52.037 -0.015 0.000 0.647 2200 A CB -1.897 17.108 19.000 0.007 0.000 0.828 2200 A HN 0.661 nan 8.150 nan 0.000 0.455 2201 T N -0.362 114.168 114.554 -0.040 0.000 2.770 2201 T HA -0.057 4.292 4.350 -0.001 0.000 0.263 2201 T C 1.846 176.408 174.700 -0.229 0.000 1.039 2201 T CA 1.261 63.298 62.100 -0.106 0.000 1.142 2201 T CB -0.481 68.343 68.868 -0.074 0.000 0.868 2201 T HN 0.341 nan 8.240 nan 0.000 0.435 2202 L N 1.438 122.545 121.223 -0.194 0.000 1.943 2202 L HA -0.028 4.312 4.340 -0.001 0.000 0.215 2202 L C 2.285 179.028 176.870 -0.212 0.000 1.074 2202 L CA 1.715 56.404 54.840 -0.252 0.000 0.759 2202 L CB -0.908 41.044 42.059 -0.179 0.000 0.888 2202 L HN 0.205 nan 8.230 nan 0.000 0.433 2203 L N -0.883 120.275 121.223 -0.109 0.000 1.990 2203 L HA -0.261 4.078 4.340 -0.001 0.000 0.213 2203 L C 2.397 179.253 176.870 -0.023 0.000 1.072 2203 L CA 2.137 56.952 54.840 -0.043 0.000 0.755 2203 L CB -1.542 40.514 42.059 -0.006 0.000 0.889 2203 L HN 0.381 nan 8.230 nan 0.000 0.432 2204 T N -0.369 114.170 114.554 -0.024 0.000 2.833 2204 T HA -0.214 4.135 4.350 -0.001 0.000 0.269 2204 T C 1.821 176.421 174.700 -0.168 0.000 1.054 2204 T CA 1.340 63.437 62.100 -0.005 0.000 1.135 2204 T CB -0.198 68.695 68.868 0.042 0.000 0.869 2204 T HN 0.204 nan 8.240 nan 0.000 0.466 2205 M N 1.908 121.318 119.600 -0.316 0.000 2.091 2205 M HA -0.059 4.420 4.480 -0.001 0.000 0.259 2205 M C 2.369 178.524 176.300 -0.242 0.000 1.076 2205 M CA 1.474 56.490 55.300 -0.474 0.000 1.111 2205 M CB -1.733 30.427 32.600 -0.734 0.000 1.291 2205 M HN 0.345 nan 8.290 nan 0.000 0.417 2206 C N 1.244 120.426 119.300 -0.196 0.000 2.349 2206 C HA -0.222 4.238 4.460 -0.001 0.000 0.274 2206 C C 2.943 177.946 174.990 0.021 0.000 1.178 2206 C CA 1.929 60.919 59.018 -0.046 0.000 1.769 2206 C CB -1.931 25.812 27.740 0.006 0.000 2.047 2206 C HN 0.771 nan 8.230 nan 0.000 0.448 2207 A N 0.569 123.426 122.820 0.062 0.000 1.915 2207 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 2207 A C 1.953 179.645 177.584 0.180 0.000 1.198 2207 A CA 2.534 54.688 52.037 0.195 0.000 0.647 2207 A CB -0.889 18.349 19.000 0.397 0.000 0.825 2207 A HN 0.661 nan 8.150 nan 0.000 0.456 2208 S N -0.603 115.061 115.700 -0.060 0.000 2.906 2208 S HA 0.352 4.821 4.470 -0.001 0.000 0.234 2208 S C 0.018 174.590 174.600 -0.047 0.000 0.973 2208 S CA 0.616 58.701 58.200 -0.191 0.000 1.036 2208 S CB -0.417 62.499 63.200 -0.473 0.000 0.798 2208 S HN 0.805 nan 8.310 nan 0.000 0.498 2209 Q N -1.169 118.644 119.800 0.022 0.000 3.277 2209 Q HA 0.375 4.714 4.340 -0.001 0.000 0.166 2209 Q C 0.261 176.294 176.000 0.055 0.000 0.995 2209 Q CA 0.403 56.228 55.803 0.037 0.000 1.203 2209 Q CB -0.543 28.210 28.738 0.026 0.000 1.880 2209 Q HN 0.397 nan 8.270 nan 0.000 0.587 2210 G N 2.786 111.621 108.800 0.059 0.000 3.434 2210 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.343 2210 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.343 2210 G C 0.694 175.641 174.900 0.078 0.000 1.240 2210 G CA 1.893 47.030 45.100 0.063 0.000 0.996 2210 G HN 2.125 nan 8.290 nan 0.000 0.650 2211 L N -2.478 118.807 121.223 0.103 0.000 7.335 2211 L HA -0.148 4.191 4.340 -0.001 0.000 0.053 2211 L C 0.532 177.482 176.870 0.132 0.000 2.116 2211 L CA 2.844 57.756 54.840 0.120 0.000 1.325 2211 L CB -1.332 40.788 42.059 0.102 0.000 3.031 2211 L HN 1.872 nan 8.230 nan 0.000 1.197 2212 R N -0.368 120.193 120.500 0.100 0.000 2.877 2212 R HA 0.216 4.555 4.340 -0.001 0.000 0.275 2212 R C -0.448 175.920 176.300 0.113 0.000 0.924 2212 R CA 0.910 57.058 56.100 0.079 0.000 0.715 2212 R CB -1.948 28.376 30.300 0.040 0.000 1.761 2212 R HN 1.382 nan 8.270 nan 0.000 0.498 2213 A N 0.690 123.577 122.820 0.111 0.000 2.423 2213 A HA 0.947 5.266 4.320 -0.001 0.000 0.304 2213 A C 0.063 177.686 177.584 0.065 0.000 1.104 2213 A CA -0.026 52.085 52.037 0.124 0.000 0.757 2213 A CB 2.407 21.468 19.000 0.101 0.000 1.313 2213 A HN 0.621 nan 8.150 nan 0.000 0.423 2214 G N -0.071 108.761 108.800 0.052 0.000 2.667 2214 G HA2 0.554 4.513 3.960 -0.001 0.000 0.294 2214 G HA3 0.554 4.513 3.960 -0.001 0.000 0.294 2214 G C -1.444 173.465 174.900 0.015 0.000 1.467 2214 G CA -0.468 44.645 45.100 0.021 0.000 0.852 2214 G HN 0.725 nan 8.290 nan 0.000 0.521 2215 M N 1.506 121.106 119.600 -0.000 0.000 2.393 2215 M HA 0.701 5.181 4.480 -0.001 0.000 0.316 2215 M C -1.344 174.951 176.300 -0.009 0.000 1.087 2215 M CA -1.067 54.230 55.300 -0.004 0.000 0.937 2215 M CB 2.377 34.969 32.600 -0.014 0.000 1.668 2215 M HN 0.506 nan 8.290 nan 0.000 0.438 2216 V N 3.521 123.432 119.914 -0.005 0.000 2.841 2216 V HA 0.979 5.098 4.120 -0.001 0.000 0.310 2216 V C -1.138 174.955 176.094 -0.002 0.000 1.090 2216 V CA -0.094 62.203 62.300 -0.006 0.000 0.930 2216 V CB 1.819 33.639 31.823 -0.005 0.000 1.014 2216 V HN 1.041 nan 8.190 nan 0.000 0.425 2217 A N 4.050 126.868 122.820 -0.003 0.000 2.985 2217 A HA 1.075 5.394 4.320 -0.001 0.000 0.248 2217 A C 0.080 177.666 177.584 0.003 0.000 1.195 2217 A CA -0.405 51.632 52.037 -0.001 0.000 0.798 2217 A CB 1.555 20.547 19.000 -0.012 0.000 1.376 2217 A HN 2.104 nan 8.150 nan 0.000 0.574 2218 G N -0.989 107.812 108.800 0.001 0.000 2.269 2218 G HA2 0.529 4.488 3.960 -0.001 0.000 0.297 2218 G HA3 0.529 4.488 3.960 -0.001 0.000 0.297 2218 G C -1.071 173.825 174.900 -0.007 0.000 1.340 2218 G CA -0.283 44.816 45.100 -0.002 0.000 1.240 2218 G HN 1.111 nan 8.290 nan 0.000 0.596 2219 V N 4.395 124.300 119.914 -0.015 0.000 2.399 2219 V HA -0.001 4.118 4.120 -0.001 0.000 0.245 2219 V C 1.987 178.070 176.094 -0.019 0.000 1.089 2219 V CA 0.639 62.922 62.300 -0.027 0.000 1.196 2219 V CB -0.996 30.803 31.823 -0.040 0.000 1.221 2219 V HN 0.759 nan 8.190 nan 0.000 0.482 2220 I N 2.269 122.837 120.570 -0.004 0.000 2.928 2220 I HA 0.137 4.307 4.170 -0.001 0.000 0.266 2220 I C 0.395 176.517 176.117 0.008 0.000 1.234 2220 I CA 0.682 61.986 61.300 0.007 0.000 1.483 2220 I CB 0.046 38.063 38.000 0.029 0.000 1.097 2220 I HN 0.353 nan 8.210 nan 0.000 0.455 2221 V N 0.838 120.750 119.914 -0.002 0.000 3.087 2221 V HA 0.452 4.571 4.120 -0.001 0.000 0.306 2221 V C -1.151 174.923 176.094 -0.034 0.000 1.187 2221 V CA -0.783 61.514 62.300 -0.005 0.000 0.999 2221 V CB 1.784 33.620 31.823 0.022 0.000 1.049 2221 V HN 0.302 nan 8.190 nan 0.000 0.431 2222 N N 1.364 120.043 118.700 -0.035 0.000 2.352 2222 N HA 0.378 5.117 4.740 -0.001 0.000 0.291 2222 N C 0.169 175.654 175.510 -0.042 0.000 1.040 2222 N CA -0.729 52.289 53.050 -0.053 0.000 0.864 2222 N CB 2.415 40.867 38.487 -0.059 0.000 1.440 2222 N HN 0.521 nan 8.380 nan 0.000 0.483 2223 R N 0.871 121.337 120.500 -0.057 0.000 2.416 2223 R HA 0.007 4.347 4.340 -0.001 0.000 0.205 2223 R C 1.211 177.499 176.300 -0.020 0.000 1.150 2223 R CA 1.042 57.113 56.100 -0.049 0.000 1.139 2223 R CB -0.789 29.464 30.300 -0.079 0.000 0.861 2223 R HN 0.765 nan 8.270 nan 0.000 0.480 2224 T N -6.565 107.981 114.554 -0.015 0.000 3.313 2224 T HA 0.092 4.441 4.350 -0.001 0.000 0.266 2224 T C 0.508 175.208 174.700 0.000 0.000 0.987 2224 T CA -0.505 61.593 62.100 -0.004 0.000 1.086 2224 T CB -0.141 68.724 68.868 -0.006 0.000 1.159 2224 T HN -0.034 nan 8.240 nan 0.000 0.450 2225 Q N 2.643 122.441 119.800 -0.004 0.000 2.297 2225 Q HA 0.342 4.681 4.340 -0.001 0.000 0.267 2225 Q C 0.024 176.027 176.000 0.005 0.000 1.006 2225 Q CA 0.016 55.819 55.803 0.000 0.000 0.896 2225 Q CB 0.901 29.637 28.738 -0.004 0.000 1.186 2225 Q HN 0.585 nan 8.270 nan 0.000 0.392 2226 Q N 2.431 122.236 119.800 0.008 0.000 2.474 2226 Q HA -0.081 4.258 4.340 -0.001 0.000 0.256 2226 Q C -0.195 175.811 176.000 0.011 0.000 1.048 2226 Q CA 0.872 56.682 55.803 0.012 0.000 0.922 2226 Q CB 0.420 29.165 28.738 0.012 0.000 1.288 2226 Q HN 0.876 nan 8.270 nan 0.000 0.484 2227 E N -0.314 119.894 120.200 0.014 0.000 3.649 2227 E HA -0.298 4.051 4.350 -0.001 0.000 0.305 2227 E C -0.373 176.233 176.600 0.011 0.000 0.760 2227 E CA 0.686 57.094 56.400 0.013 0.000 1.038 2227 E CB -1.080 28.626 29.700 0.010 0.000 1.531 2227 E HN 0.474 nan 8.360 nan 0.000 0.459 2228 I N 1.873 122.449 120.570 0.009 0.000 2.494 2228 I HA 0.094 4.263 4.170 -0.001 0.000 0.289 2228 I C -1.954 174.168 176.117 0.009 0.000 1.106 2228 I CA -1.666 59.637 61.300 0.004 0.000 1.369 2228 I CB 0.452 38.451 38.000 -0.002 0.000 1.410 2228 I HN -0.107 nan 8.210 nan 0.000 0.523 2229 P HA 0.365 nan 4.420 nan 0.000 0.294 2229 P C -1.674 175.630 177.300 0.007 0.000 1.323 2229 P CA -1.026 62.076 63.100 0.003 0.000 1.015 2229 P CB 1.336 33.034 31.700 -0.003 0.000 1.392 2230 N N 0.033 118.736 118.700 0.005 0.000 2.458 2230 N HA 0.117 4.857 4.740 -0.001 0.000 0.258 2230 N C 1.367 176.882 175.510 0.008 0.000 1.219 2230 N CA 0.202 53.256 53.050 0.007 0.000 0.902 2230 N CB 0.006 38.496 38.487 0.006 0.000 1.076 2230 N HN 0.427 nan 8.380 nan 0.000 0.455 2231 A N 2.634 125.461 122.820 0.011 0.000 1.909 2231 A HA -0.381 3.939 4.320 -0.001 0.000 0.221 2231 A C 1.840 179.431 177.584 0.012 0.000 1.223 2231 A CA 2.375 54.419 52.037 0.013 0.000 0.658 2231 A CB -1.245 17.762 19.000 0.013 0.000 0.831 2231 A HN 0.904 nan 8.150 nan 0.000 0.462 2232 E N -0.967 119.239 120.200 0.010 0.000 2.097 2232 E HA -0.142 4.208 4.350 -0.001 0.000 0.196 2232 E C 2.087 178.694 176.600 0.010 0.000 1.000 2232 E CA 1.891 58.298 56.400 0.012 0.000 0.804 2232 E CB -0.528 29.179 29.700 0.011 0.000 0.740 2232 E HN 0.695 nan 8.360 nan 0.000 0.454 2233 T N 0.755 115.311 114.554 0.004 0.000 2.857 2233 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 2233 T C 1.842 176.538 174.700 -0.007 0.000 1.048 2233 T CA 1.116 63.212 62.100 -0.006 0.000 1.139 2233 T CB -0.117 68.745 68.868 -0.010 0.000 0.874 2233 T HN 0.113 nan 8.240 nan 0.000 0.455 2234 M N 1.031 120.632 119.600 0.002 0.000 2.084 2234 M HA -0.117 4.362 4.480 -0.001 0.000 0.259 2234 M C 2.405 178.712 176.300 0.011 0.000 1.072 2234 M CA 1.577 56.881 55.300 0.007 0.000 1.107 2234 M CB -0.555 32.055 32.600 0.017 0.000 1.299 2234 M HN 0.015 nan 8.290 nan 0.000 0.413 2235 K N 0.642 121.053 120.400 0.017 0.000 2.097 2235 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 2235 K C 1.838 178.461 176.600 0.039 0.000 1.049 2235 K CA 1.335 57.637 56.287 0.025 0.000 0.933 2235 K CB -0.631 31.882 32.500 0.022 0.000 0.717 2235 K HN 0.533 nan 8.250 nan 0.000 0.442 2236 Q N -0.105 119.718 119.800 0.039 0.000 2.297 2236 Q HA -0.106 4.233 4.340 -0.001 0.000 0.208 2236 Q C 1.683 177.719 176.000 0.060 0.000 0.981 2236 Q CA 1.251 57.100 55.803 0.076 0.000 0.876 2236 Q CB -0.030 28.732 28.738 0.040 0.000 0.921 2236 Q HN 0.269 nan 8.270 nan 0.000 0.446 2237 T N 0.595 115.147 114.554 -0.003 0.000 2.851 2237 T HA -0.081 4.268 4.350 -0.001 0.000 0.262 2237 T C 1.326 176.046 174.700 0.032 0.000 1.043 2237 T CA 0.793 62.871 62.100 -0.036 0.000 1.140 2237 T CB 0.061 68.909 68.868 -0.034 0.000 0.872 2237 T HN 0.337 nan 8.240 nan 0.000 0.446 2238 E N 1.579 121.804 120.200 0.042 0.000 2.204 2238 E HA -0.108 4.242 4.350 -0.001 0.000 0.195 2238 E C 2.453 179.090 176.600 0.061 0.000 0.990 2238 E CA 1.431 57.857 56.400 0.043 0.000 0.821 2238 E CB -0.207 29.512 29.700 0.030 0.000 0.750 2238 E HN 0.610 nan 8.360 nan 0.000 0.477 2239 S N 0.943 116.707 115.700 0.106 0.000 2.348 2239 S HA -0.138 4.331 4.470 -0.001 0.000 0.219 2239 S C 1.953 176.603 174.600 0.084 0.000 1.033 2239 S CA 0.581 58.830 58.200 0.082 0.000 0.974 2239 S CB -0.806 62.426 63.200 0.054 0.000 0.868 2239 S HN 0.359 nan 8.310 nan 0.000 0.459 2240 H N 1.977 121.037 119.070 -0.017 0.000 2.390 2240 H HA -0.019 4.536 4.556 -0.001 0.000 0.298 2240 H C 2.401 177.717 175.328 -0.020 0.000 1.106 2240 H CA 1.240 57.277 56.048 -0.019 0.000 1.297 2240 H CB -0.358 29.393 29.762 -0.019 0.000 1.375 2240 H HN 0.631 nan 8.280 nan 0.000 0.509 2241 A N 0.864 123.756 122.820 0.120 0.000 2.209 2241 A HA 0.024 4.343 4.320 -0.001 0.000 0.212 2241 A C 2.408 180.007 177.584 0.025 0.000 1.158 2241 A CA 0.700 52.769 52.037 0.053 0.000 0.742 2241 A CB -0.204 18.817 19.000 0.036 0.000 0.790 2241 A HN 0.187 nan 8.150 nan 0.000 0.472 2242 V N -0.644 119.280 119.914 0.017 0.000 2.795 2242 V HA -0.070 4.050 4.120 -0.001 0.000 0.243 2242 V C 2.101 178.183 176.094 -0.019 0.000 1.069 2242 V CA 1.320 63.615 62.300 -0.007 0.000 1.089 2242 V CB -0.326 31.487 31.823 -0.018 0.000 0.756 2242 V HN 0.451 nan 8.190 nan 0.000 0.471 2243 K N 0.527 120.911 120.400 -0.027 0.000 2.148 2243 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 2243 K C 2.004 178.588 176.600 -0.027 0.000 1.050 2243 K CA 1.398 57.660 56.287 -0.042 0.000 0.942 2243 K CB -0.211 32.243 32.500 -0.077 0.000 0.724 2243 K HN 0.411 nan 8.250 nan 0.000 0.446 2244 I N 0.399 120.962 120.570 -0.012 0.000 2.353 2244 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 2244 I C 2.342 178.450 176.117 -0.015 0.000 1.119 2244 I CA 0.711 62.005 61.300 -0.011 0.000 1.417 2244 I CB -0.106 37.894 38.000 0.001 0.000 1.078 2244 I HN -0.058 nan 8.210 nan 0.000 0.421 2245 V N 0.094 120.001 119.914 -0.012 0.000 2.878 2245 V HA -0.055 4.064 4.120 -0.001 0.000 0.250 2245 V C 2.170 178.254 176.094 -0.016 0.000 1.075 2245 V CA 0.988 63.280 62.300 -0.012 0.000 1.096 2245 V CB 0.507 32.327 31.823 -0.005 0.000 0.724 2245 V HN 0.185 nan 8.190 nan 0.000 0.467 2246 V N 0.499 120.402 119.914 -0.019 0.000 2.453 2246 V HA -0.130 3.989 4.120 -0.001 0.000 0.247 2246 V C 2.458 178.539 176.094 -0.022 0.000 1.048 2246 V CA 2.084 64.372 62.300 -0.020 0.000 1.049 2246 V CB -0.421 31.387 31.823 -0.025 0.000 0.672 2246 V HN 0.699 nan 8.190 nan 0.000 0.457 2247 E N 1.101 121.287 120.200 -0.024 0.000 2.107 2247 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 2247 E C 2.076 178.660 176.600 -0.027 0.000 0.982 2247 E CA 1.397 57.781 56.400 -0.025 0.000 0.809 2247 E CB -0.359 29.325 29.700 -0.027 0.000 0.756 2247 E HN 0.461 nan 8.360 nan 0.000 0.459 2248 A N 1.268 124.072 122.820 -0.027 0.000 1.865 2248 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 2248 A C 2.531 180.096 177.584 -0.031 0.000 1.191 2248 A CA 2.336 54.354 52.037 -0.032 0.000 0.623 2248 A CB -1.328 17.654 19.000 -0.030 0.000 0.826 2248 A HN 0.427 nan 8.150 nan 0.000 0.444 2249 A N -0.518 122.286 122.820 -0.027 0.000 1.917 2249 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 2249 A C 2.271 179.840 177.584 -0.026 0.000 1.182 2249 A CA 1.931 53.952 52.037 -0.027 0.000 0.633 2249 A CB -0.577 18.409 19.000 -0.023 0.000 0.819 2249 A HN 0.551 nan 8.150 nan 0.000 0.448 2250 R N -0.393 120.093 120.500 -0.023 0.000 2.159 2250 R HA -0.088 4.251 4.340 -0.001 0.000 0.237 2250 R C 1.827 178.113 176.300 -0.023 0.000 1.131 2250 R CA 1.367 57.454 56.100 -0.021 0.000 0.982 2250 R CB -0.169 30.119 30.300 -0.020 0.000 0.868 2250 R HN 0.522 nan 8.270 nan 0.000 0.453 2251 R N -0.287 120.197 120.500 -0.027 0.000 2.313 2251 R HA 0.072 4.411 4.340 -0.001 0.000 0.199 2251 R C 1.444 177.726 176.300 -0.030 0.000 0.958 2251 R CA 0.274 56.356 56.100 -0.029 0.000 1.047 2251 R CB 0.310 30.589 30.300 -0.035 0.000 0.955 2251 R HN 0.257 nan 8.270 nan 0.000 0.481 2252 L N -0.495 120.710 121.223 -0.030 0.000 2.577 2252 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 2252 L C 0.944 177.798 176.870 -0.027 0.000 1.053 2252 L CA -0.081 54.741 54.840 -0.030 0.000 0.866 2252 L CB 0.140 42.178 42.059 -0.034 0.000 1.132 2252 L HN 0.030 nan 8.230 nan 0.000 0.486 2253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 2253 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 2253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 2253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502