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 1pp0_1_C DATA FIRST_RESID 2005 DATA SEQUENCE NVFQPVDQLP EDLIPSSIQV LKFSGKYLKL EQDKAYFDWP GFKTAIDNYT DATA SEQUENCE GEDLSFDKYD QSTINQQSQE VGAMVDKIAK FLHDAFAAVV DLSKLAAIIL DATA SEQUENCE NTFTNLEEES SSGFLQFNTN NVKKNSSWEY RVLFSVPFGD NAPSYFYSLV DATA SEQUENCE TTILITADIE EKTGWWGLTS STKKNFAVQI DALELVVKKG FKAP 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 2005 N HA 0.000 nan 4.740 nan 0.000 0.220 2005 N C 0.000 175.621 175.510 0.184 0.000 1.280 2005 N CA 0.000 53.143 53.050 0.155 0.000 0.885 2005 N CB 0.000 38.545 38.487 0.097 0.000 1.341 2006 V N 1.098 121.098 119.914 0.144 0.000 2.515 2006 V HA 0.112 4.232 4.120 0.000 0.000 0.250 2006 V C 0.124 176.205 176.094 -0.021 0.000 1.058 2006 V CA 1.468 63.820 62.300 0.086 0.000 1.064 2006 V CB -0.552 31.359 31.823 0.147 0.000 0.675 2006 V HN 0.219 nan 8.190 nan 0.000 0.461 2007 F N -1.028 118.907 119.950 -0.024 0.000 2.551 2007 F HA 0.480 5.007 4.527 0.000 0.000 0.316 2007 F C 0.168 175.831 175.800 -0.229 0.000 1.089 2007 F CA -0.819 57.085 58.000 -0.161 0.000 0.915 2007 F CB 1.729 40.562 39.000 -0.279 0.000 1.186 2007 F HN -0.166 nan 8.300 nan 0.000 0.456 2008 Q N 4.976 124.533 119.800 -0.404 0.000 2.307 2008 Q HA 0.308 4.648 4.340 0.000 0.000 0.259 2008 Q C -2.558 173.213 176.000 -0.381 0.000 0.998 2008 Q CA -1.839 53.554 55.803 -0.684 0.000 0.923 2008 Q CB 1.044 28.981 28.738 -1.335 0.000 1.196 2008 Q HN 0.141 nan 8.270 nan 0.000 0.416 2009 P HA 0.095 nan 4.420 nan 0.000 0.282 2009 P C -1.345 175.850 177.300 -0.174 0.000 1.262 2009 P CA -0.196 62.803 63.100 -0.170 0.000 0.773 2009 P CB 1.080 32.732 31.700 -0.081 0.000 0.879 2010 V N 4.339 124.141 119.914 -0.187 0.000 2.380 2010 V HA 0.530 4.650 4.120 0.000 0.000 0.286 2010 V C -0.317 175.804 176.094 0.045 0.000 1.015 2010 V CA -0.264 61.989 62.300 -0.077 0.000 0.834 2010 V CB 1.042 32.805 31.823 -0.101 0.000 1.009 2010 V HN 0.785 nan 8.190 nan 0.000 0.428 2011 D N 2.936 123.362 120.400 0.043 0.000 2.755 2011 D HA 0.316 4.957 4.640 0.000 0.000 0.277 2011 D C -0.817 175.502 176.300 0.031 0.000 1.261 2011 D CA -0.695 53.341 54.000 0.060 0.000 0.759 2011 D CB 1.327 42.149 40.800 0.037 0.000 1.279 2011 D HN 0.251 nan 8.370 nan 0.000 0.420 2012 Q N 0.411 120.231 119.800 0.034 0.000 2.215 2012 Q HA 0.330 4.670 4.340 0.000 0.000 0.337 2012 Q C -0.438 175.565 176.000 0.004 0.000 0.887 2012 Q CA -0.425 55.389 55.803 0.019 0.000 1.134 2012 Q CB 0.881 29.638 28.738 0.032 0.000 1.303 2012 Q HN 0.361 nan 8.270 nan 0.000 0.421 2013 L N 2.973 124.179 121.223 -0.028 0.000 2.483 2013 L HA 0.170 4.510 4.340 0.000 0.000 0.276 2013 L C -1.590 175.246 176.870 -0.057 0.000 1.213 2013 L CA -1.239 53.559 54.840 -0.068 0.000 0.843 2013 L CB -0.126 41.821 42.059 -0.186 0.000 1.107 2013 L HN 0.070 nan 8.230 nan 0.000 0.487 2014 P HA 0.014 nan 4.420 nan 0.000 0.274 2014 P C 0.154 177.424 177.300 -0.050 0.000 1.237 2014 P CA -0.370 62.712 63.100 -0.030 0.000 0.793 2014 P CB 0.929 32.624 31.700 -0.009 0.000 0.977 2015 E N 1.631 121.811 120.200 -0.033 0.000 2.114 2015 E HA -0.273 4.077 4.350 0.000 0.000 0.199 2015 E C 1.369 177.944 176.600 -0.041 0.000 1.008 2015 E CA 2.253 58.632 56.400 -0.035 0.000 0.810 2015 E CB -0.640 29.048 29.700 -0.020 0.000 0.739 2015 E HN 0.539 nan 8.360 nan 0.000 0.456 2016 D N -0.163 120.216 120.400 -0.035 0.000 2.350 2016 D HA -0.172 4.468 4.640 0.000 0.000 0.216 2016 D C 1.637 177.908 176.300 -0.049 0.000 0.968 2016 D CA 0.729 54.710 54.000 -0.032 0.000 0.894 2016 D CB -0.132 40.657 40.800 -0.018 0.000 0.909 2016 D HN 0.407 nan 8.370 nan 0.000 0.520 2017 L N -0.236 120.928 121.223 -0.098 0.000 2.616 2017 L HA 0.098 4.438 4.340 0.000 0.000 0.229 2017 L C 2.148 178.863 176.870 -0.259 0.000 1.110 2017 L CA -0.346 54.377 54.840 -0.196 0.000 0.884 2017 L CB 0.175 42.035 42.059 -0.331 0.000 1.115 2017 L HN -0.109 nan 8.230 nan 0.000 0.481 2018 I N 1.143 121.618 120.570 -0.159 0.000 2.163 2018 I HA -0.150 4.021 4.170 0.000 0.000 0.243 2018 I C 0.003 176.082 176.117 -0.064 0.000 1.085 2018 I CA 1.709 62.935 61.300 -0.123 0.000 1.347 2018 I CB -2.181 35.776 38.000 -0.072 0.000 1.044 2018 I HN 0.131 nan 8.210 nan 0.000 0.408 2019 P HA -0.099 nan 4.420 nan 0.000 0.216 2019 P C 2.045 179.383 177.300 0.062 0.000 1.153 2019 P CA 1.642 64.749 63.100 0.011 0.000 0.858 2019 P CB 0.020 31.726 31.700 0.008 0.000 0.789 2020 S N -0.273 115.483 115.700 0.095 0.000 2.368 2020 S HA -0.153 4.317 4.470 0.000 0.000 0.225 2020 S C 2.109 176.927 174.600 0.363 0.000 1.030 2020 S CA 1.769 60.133 58.200 0.273 0.000 0.999 2020 S CB -1.150 62.286 63.200 0.392 0.000 0.844 2020 S HN 0.333 nan 8.310 nan 0.000 0.459 2021 S N 1.779 117.555 115.700 0.128 0.000 2.399 2021 S HA 0.008 4.478 4.470 0.000 0.000 0.231 2021 S C 1.765 176.452 174.600 0.144 0.000 1.022 2021 S CA 0.789 59.064 58.200 0.124 0.000 0.983 2021 S CB -0.694 62.407 63.200 -0.166 0.000 0.803 2021 S HN 0.481 nan 8.310 nan 0.000 0.480 2022 I N 1.295 121.923 120.570 0.097 0.000 2.394 2022 I HA -0.133 4.038 4.170 0.000 0.000 0.251 2022 I C 2.830 179.033 176.117 0.144 0.000 1.136 2022 I CA 1.012 62.365 61.300 0.089 0.000 1.425 2022 I CB -0.316 37.715 38.000 0.051 0.000 1.079 2022 I HN 0.307 nan 8.210 nan 0.000 0.425 2023 Q N 0.155 120.074 119.800 0.199 0.000 2.167 2023 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 2023 Q C 2.484 178.754 176.000 0.450 0.000 0.970 2023 Q CA 1.186 57.131 55.803 0.236 0.000 0.855 2023 Q CB -0.372 28.451 28.738 0.142 0.000 0.911 2023 Q HN 0.393 nan 8.270 nan 0.000 0.438 2024 V N 1.122 121.325 119.914 0.481 0.000 2.427 2024 V HA -0.218 3.902 4.120 0.000 0.000 0.248 2024 V C 2.271 178.519 176.094 0.257 0.000 1.051 2024 V CA 1.235 63.789 62.300 0.424 0.000 1.048 2024 V CB -0.560 31.411 31.823 0.247 0.000 0.666 2024 V HN 0.227 nan 8.190 nan 0.000 0.456 2025 L N 0.480 121.793 121.223 0.151 0.000 2.093 2025 L HA -0.141 4.199 4.340 0.000 0.000 0.208 2025 L C 2.372 179.307 176.870 0.108 0.000 1.085 2025 L CA 2.117 56.986 54.840 0.047 0.000 0.755 2025 L CB -0.790 41.298 42.059 0.049 0.000 0.904 2025 L HN 0.271 nan 8.230 nan 0.000 0.435 2026 K N -1.453 119.053 120.400 0.176 0.000 2.025 2026 K HA -0.234 4.086 4.320 0.000 0.000 0.207 2026 K C 2.197 178.961 176.600 0.272 0.000 1.049 2026 K CA 1.599 57.995 56.287 0.180 0.000 0.933 2026 K CB -0.428 32.163 32.500 0.152 0.000 0.714 2026 K HN 0.288 nan 8.250 nan 0.000 0.438 2027 F N 1.868 121.937 119.950 0.198 0.000 2.069 2027 F HA -0.186 4.341 4.527 0.000 0.000 0.298 2027 F C 2.086 178.093 175.800 0.346 0.000 1.113 2027 F CA 1.822 60.005 58.000 0.305 0.000 1.214 2027 F CB -0.799 38.462 39.000 0.435 0.000 0.978 2027 F HN -0.007 nan 8.300 nan 0.000 0.474 2028 S N 0.242 115.973 115.700 0.051 0.000 2.383 2028 S HA -0.129 4.341 4.470 0.000 0.000 0.229 2028 S C 2.312 176.954 174.600 0.070 0.000 1.030 2028 S CA 1.134 59.170 58.200 -0.273 0.000 1.002 2028 S CB -1.298 61.450 63.200 -0.753 0.000 0.829 2028 S HN 0.610 nan 8.310 nan 0.000 0.467 2029 G N 1.406 110.274 108.800 0.114 0.000 2.498 2029 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 2029 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 2029 G C 1.264 176.196 174.900 0.053 0.000 1.119 2029 G CA 0.406 45.595 45.100 0.149 0.000 0.766 2029 G HN 0.446 nan 8.290 nan 0.000 0.552 2030 K N -0.687 119.700 120.400 -0.021 0.000 2.439 2030 K HA 0.018 4.339 4.320 0.000 0.000 0.197 2030 K C 0.496 176.704 176.600 -0.653 0.000 1.041 2030 K CA 0.452 56.567 56.287 -0.287 0.000 0.970 2030 K CB 0.008 32.321 32.500 -0.312 0.000 0.773 2030 K HN 0.500 nan 8.250 nan 0.000 0.479 2031 Y N 0.163 120.423 120.300 -0.068 0.000 2.681 2031 Y HA 0.177 4.728 4.550 0.000 0.000 0.267 2031 Y C -0.153 175.597 175.900 -0.249 0.000 1.166 2031 Y CA -0.849 57.109 58.100 -0.238 0.000 1.209 2031 Y CB 0.375 38.542 38.460 -0.489 0.000 1.161 2031 Y HN -0.077 nan 8.280 nan 0.000 0.534 2032 L N 1.913 123.140 121.223 0.005 0.000 2.281 2032 L HA 0.339 4.679 4.340 0.000 0.000 0.285 2032 L C -0.081 176.782 176.870 -0.012 0.000 1.074 2032 L CA -0.529 54.347 54.840 0.060 0.000 0.817 2032 L CB 0.644 42.751 42.059 0.078 0.000 1.168 2032 L HN 0.024 nan 8.230 nan 0.000 0.434 2033 K N 5.172 125.575 120.400 0.005 0.000 2.240 2033 K HA 0.438 4.758 4.320 0.000 0.000 0.271 2033 K C -1.405 175.209 176.600 0.025 0.000 1.018 2033 K CA -0.773 55.520 56.287 0.010 0.000 0.874 2033 K CB 1.059 33.575 32.500 0.026 0.000 1.098 2033 K HN 0.604 nan 8.250 nan 0.000 0.458 2034 L N 4.028 125.253 121.223 0.003 0.000 2.287 2034 L HA 0.441 4.781 4.340 0.000 0.000 0.287 2034 L C -1.181 175.696 176.870 0.011 0.000 1.022 2034 L CA 0.271 55.109 54.840 -0.003 0.000 0.814 2034 L CB 1.165 43.212 42.059 -0.019 0.000 1.217 2034 L HN 0.820 nan 8.230 nan 0.000 0.420 2035 E N 3.665 123.881 120.200 0.026 0.000 2.335 2035 E HA 0.209 4.559 4.350 0.000 0.000 0.280 2035 E C -0.964 175.653 176.600 0.030 0.000 0.918 2035 E CA -0.415 56.002 56.400 0.029 0.000 0.765 2035 E CB 1.233 30.958 29.700 0.042 0.000 1.218 2035 E HN 0.646 nan 8.360 nan 0.000 0.425 2036 Q N 2.770 122.580 119.800 0.016 0.000 2.475 2036 Q HA -0.253 4.088 4.340 0.000 0.000 0.280 2036 Q C -0.955 175.047 176.000 0.004 0.000 1.234 2036 Q CA 1.367 57.177 55.803 0.012 0.000 0.873 2036 Q CB -1.356 27.394 28.738 0.020 0.000 1.256 2036 Q HN 0.886 nan 8.270 nan 0.000 0.475 2037 D N -1.250 119.146 120.400 -0.005 0.000 2.945 2037 D HA -0.190 4.450 4.640 0.000 0.000 0.225 2037 D C -0.855 175.420 176.300 -0.042 0.000 1.158 2037 D CA 1.883 55.871 54.000 -0.020 0.000 0.805 2037 D CB -0.387 40.403 40.800 -0.016 0.000 1.098 2037 D HN 0.533 nan 8.370 nan 0.000 0.426 2038 K N -0.253 120.122 120.400 -0.041 0.000 2.427 2038 K HA 0.798 5.118 4.320 0.000 0.000 0.252 2038 K C -0.818 175.691 176.600 -0.152 0.000 0.931 2038 K CA -0.788 55.430 56.287 -0.115 0.000 0.793 2038 K CB 2.315 34.797 32.500 -0.031 0.000 1.211 2038 K HN 0.037 nan 8.250 nan 0.000 0.426 2039 A N 3.098 125.732 122.820 -0.310 0.000 2.287 2039 A HA 0.647 4.967 4.320 0.000 0.000 0.317 2039 A C -1.544 175.780 177.584 -0.433 0.000 1.220 2039 A CA -0.418 51.474 52.037 -0.241 0.000 0.835 2039 A CB 0.211 19.116 19.000 -0.157 0.000 1.180 2039 A HN 0.631 nan 8.150 nan 0.000 0.500 2040 Y N 0.337 120.644 120.300 0.011 0.000 2.512 2040 Y HA 0.464 5.014 4.550 0.001 0.000 0.348 2040 Y C -0.282 175.657 175.900 0.066 0.000 0.990 2040 Y CA -1.019 57.107 58.100 0.044 0.000 1.033 2040 Y CB 1.845 40.334 38.460 0.049 0.000 1.259 2040 Y HN 0.719 nan 8.280 nan 0.000 0.461 2041 F N 2.508 122.501 119.950 0.071 0.000 2.484 2041 F HA 0.131 4.658 4.527 0.000 0.000 0.360 2041 F C 0.400 176.168 175.800 -0.054 0.000 1.101 2041 F CA -0.184 57.755 58.000 -0.102 0.000 1.251 2041 F CB 0.570 39.389 39.000 -0.301 0.000 1.132 2041 F HN 0.508 nan 8.300 nan 0.000 0.570 2042 D N 5.724 125.711 120.400 -0.689 0.000 2.500 2042 D HA 0.064 4.705 4.640 0.000 0.000 0.219 2042 D C 0.368 176.324 176.300 -0.572 0.000 1.137 2042 D CA -0.191 53.565 54.000 -0.407 0.000 0.946 2042 D CB -0.009 40.668 40.800 -0.204 0.000 1.022 2042 D HN 0.581 nan 8.370 nan 0.000 0.518 2043 W N 2.812 123.977 121.300 -0.224 0.000 2.355 2043 W HA -0.026 4.635 4.660 0.001 0.000 0.309 2043 W C -0.676 175.769 176.519 -0.123 0.000 1.206 2043 W CA 0.572 57.866 57.345 -0.086 0.000 1.284 2043 W CB -0.891 28.633 29.460 0.106 0.000 1.145 2043 W HN 0.471 nan 8.180 nan 0.000 0.502 2044 P HA -0.156 nan 4.420 nan 0.000 0.215 2044 P C 1.724 179.006 177.300 -0.030 0.000 1.157 2044 P CA 2.589 65.711 63.100 0.036 0.000 0.868 2044 P CB -0.492 31.231 31.700 0.038 0.000 0.788 2045 G N -1.110 107.670 108.800 -0.034 0.000 2.418 2045 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 2045 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 2045 G C 1.401 176.136 174.900 -0.274 0.000 1.158 2045 G CA 0.340 45.425 45.100 -0.026 0.000 0.771 2045 G HN 0.168 nan 8.290 nan 0.000 0.545 2046 F N 1.610 121.169 119.950 -0.651 0.000 2.146 2046 F HA 0.095 4.622 4.527 0.000 0.000 0.298 2046 F C 2.636 178.124 175.800 -0.520 0.000 1.096 2046 F CA 1.438 58.850 58.000 -0.980 0.000 1.275 2046 F CB -0.141 38.357 39.000 -0.837 0.000 1.008 2046 F HN 0.051 nan 8.300 nan 0.000 0.480 2047 K N -0.659 119.572 120.400 -0.282 0.000 2.057 2047 K HA -0.137 4.184 4.320 0.000 0.000 0.207 2047 K C 1.971 178.357 176.600 -0.355 0.000 1.049 2047 K CA 1.978 58.049 56.287 -0.360 0.000 0.931 2047 K CB -0.635 31.711 32.500 -0.257 0.000 0.714 2047 K HN 0.198 nan 8.250 nan 0.000 0.440 2048 T N 1.004 115.413 114.554 -0.241 0.000 2.788 2048 T HA -0.135 4.215 4.350 0.000 0.000 0.268 2048 T C 1.967 176.576 174.700 -0.152 0.000 1.044 2048 T CA 1.308 63.314 62.100 -0.158 0.000 1.139 2048 T CB -0.237 68.584 68.868 -0.078 0.000 0.867 2048 T HN 0.336 nan 8.240 nan 0.000 0.454 2049 A N 1.547 124.228 122.820 -0.232 0.000 1.902 2049 A HA -0.042 4.279 4.320 0.000 0.000 0.217 2049 A C 2.212 179.760 177.584 -0.059 0.000 1.181 2049 A CA 1.088 53.059 52.037 -0.111 0.000 0.623 2049 A CB -0.569 18.270 19.000 -0.268 0.000 0.818 2049 A HN 0.384 nan 8.150 nan 0.000 0.443 2050 I N 0.366 120.749 120.570 -0.311 0.000 2.202 2050 I HA -0.170 4.000 4.170 0.000 0.000 0.242 2050 I C 1.822 177.852 176.117 -0.145 0.000 1.091 2050 I CA 1.475 62.618 61.300 -0.263 0.000 1.368 2050 I CB -1.580 36.078 38.000 -0.571 0.000 1.058 2050 I HN 0.257 nan 8.210 nan 0.000 0.410 2051 D N 1.250 121.514 120.400 -0.227 0.000 2.158 2051 D HA -0.171 4.469 4.640 0.000 0.000 0.197 2051 D C 1.430 177.717 176.300 -0.020 0.000 0.995 2051 D CA 1.159 55.077 54.000 -0.136 0.000 0.846 2051 D CB -0.241 40.475 40.800 -0.141 0.000 0.941 2051 D HN 0.324 nan 8.370 nan 0.000 0.456 2052 N N -0.500 118.203 118.700 0.005 0.000 2.268 2052 N HA -0.056 4.684 4.740 0.000 0.000 0.204 2052 N C -0.130 175.429 175.510 0.083 0.000 1.124 2052 N CA -0.207 52.866 53.050 0.038 0.000 0.838 2052 N CB 0.075 38.580 38.487 0.030 0.000 0.994 2052 N HN 0.235 nan 8.380 nan 0.000 0.489 2053 Y N 2.251 122.549 120.300 -0.003 0.000 2.425 2053 Y HA 0.073 4.623 4.550 0.000 0.000 0.331 2053 Y C 1.122 177.031 175.900 0.015 0.000 1.157 2053 Y CA 0.194 58.303 58.100 0.015 0.000 1.372 2053 Y CB 0.700 39.170 38.460 0.017 0.000 1.253 2053 Y HN -0.011 nan 8.280 nan 0.000 0.536 2054 T N 2.136 116.262 114.554 -0.713 0.000 3.487 2054 T HA 0.464 4.814 4.350 0.000 0.000 0.287 2054 T C 0.441 174.787 174.700 -0.590 0.000 1.004 2054 T CA -0.094 61.723 62.100 -0.470 0.000 0.977 2054 T CB -0.526 68.199 68.868 -0.238 0.000 1.180 2054 T HN 0.763 nan 8.240 nan 0.000 0.490 2055 G N 0.621 108.764 108.800 -1.094 0.000 2.574 2055 G HA2 0.557 4.517 3.960 0.000 0.000 0.248 2055 G HA3 0.557 4.517 3.960 0.000 0.000 0.248 2055 G C 0.195 175.073 174.900 -0.037 0.000 1.422 2055 G CA -0.628 44.206 45.100 -0.443 0.000 1.051 2055 G HN 0.378 nan 8.290 nan 0.000 0.560 2056 E N -1.194 119.074 120.200 0.112 0.000 2.639 2056 E HA 0.080 4.430 4.350 0.000 0.000 0.225 2056 E C -0.216 176.465 176.600 0.135 0.000 0.921 2056 E CA -0.090 56.373 56.400 0.105 0.000 1.184 2056 E CB 0.949 30.677 29.700 0.047 0.000 1.160 2056 E HN 0.268 nan 8.360 nan 0.000 0.547 2057 D N 0.810 121.335 120.400 0.208 0.000 2.462 2057 D HA 0.175 4.815 4.640 0.000 0.000 0.221 2057 D C -0.580 175.739 176.300 0.033 0.000 1.173 2057 D CA 0.116 54.195 54.000 0.132 0.000 0.831 2057 D CB 0.927 41.843 40.800 0.193 0.000 1.001 2057 D HN 0.018 nan 8.370 nan 0.000 0.499 2058 L N -0.007 121.254 121.223 0.063 0.000 2.526 2058 L HA 0.463 4.803 4.340 0.000 0.000 0.263 2058 L C -1.421 175.443 176.870 -0.010 0.000 0.943 2058 L CA -0.318 54.403 54.840 -0.198 0.000 0.859 2058 L CB 2.349 44.023 42.059 -0.641 0.000 1.313 2058 L HN -0.227 nan 8.230 nan 0.000 0.406 2059 S N 3.369 119.050 115.700 -0.031 0.000 2.536 2059 S HA 0.655 5.125 4.470 0.000 0.000 0.287 2059 S C -1.311 173.366 174.600 0.129 0.000 1.101 2059 S CA -0.481 57.767 58.200 0.079 0.000 0.950 2059 S CB 0.894 64.131 63.200 0.063 0.000 1.056 2059 S HN 0.489 nan 8.310 nan 0.000 0.481 2060 F N 4.270 124.234 119.950 0.023 0.000 2.420 2060 F HA 0.431 4.958 4.527 0.000 0.000 0.352 2060 F C 0.851 176.699 175.800 0.080 0.000 1.108 2060 F CA -0.720 57.304 58.000 0.040 0.000 1.162 2060 F CB 1.014 40.036 39.000 0.036 0.000 1.118 2060 F HN 0.776 nan 8.300 nan 0.000 0.510 2061 D N 3.749 123.940 120.400 -0.349 0.000 2.584 2061 D HA 0.093 4.733 4.640 0.000 0.000 0.254 2061 D C -0.363 175.474 176.300 -0.772 0.000 1.085 2061 D CA 0.933 54.709 54.000 -0.374 0.000 0.971 2061 D CB 0.408 41.197 40.800 -0.017 0.000 1.103 2061 D HN 0.674 nan 8.370 nan 0.000 0.453 2062 K N -1.600 118.488 120.400 -0.520 0.000 2.607 2062 K HA 0.310 4.631 4.320 0.000 0.000 0.287 2062 K C -1.911 174.924 176.600 0.393 0.000 0.996 2062 K CA -0.995 55.139 56.287 -0.255 0.000 0.876 2062 K CB 1.478 33.931 32.500 -0.077 0.000 1.496 2062 K HN 0.017 nan 8.250 nan 0.000 0.415 2063 Y N 1.224 121.769 120.300 0.408 0.000 2.361 2063 Y HA 0.500 5.050 4.550 0.000 0.000 0.337 2063 Y C -1.851 174.217 175.900 0.280 0.000 0.965 2063 Y CA -0.542 57.800 58.100 0.404 0.000 1.091 2063 Y CB 2.091 40.779 38.460 0.380 0.000 1.182 2063 Y HN 0.756 nan 8.280 nan 0.000 0.450 2064 D N 4.124 124.289 120.400 -0.391 0.000 2.575 2064 D HA 0.391 5.031 4.640 0.000 0.000 0.236 2064 D C -1.433 174.593 176.300 -0.457 0.000 1.075 2064 D CA -0.444 53.376 54.000 -0.300 0.000 0.860 2064 D CB 2.096 42.902 40.800 0.011 0.000 1.475 2064 D HN 0.651 nan 8.370 nan 0.000 0.474 2065 Q N 0.494 120.174 119.800 -0.200 0.000 2.379 2065 Q HA 0.622 4.962 4.340 0.000 0.000 0.278 2065 Q C -1.794 174.114 176.000 -0.154 0.000 1.068 2065 Q CA -0.688 55.010 55.803 -0.175 0.000 0.816 2065 Q CB 2.147 30.748 28.738 -0.229 0.000 1.387 2065 Q HN 0.357 nan 8.270 nan 0.000 0.413 2066 S N 1.301 116.796 115.700 -0.342 0.000 2.619 2066 S HA 0.578 5.048 4.470 0.000 0.000 0.280 2066 S C -1.573 172.863 174.600 -0.274 0.000 1.150 2066 S CA -0.264 57.640 58.200 -0.494 0.000 0.978 2066 S CB 1.795 64.270 63.200 -1.209 0.000 1.041 2066 S HN 0.533 nan 8.310 nan 0.000 0.485 2067 T N 5.716 120.167 114.554 -0.171 0.000 2.809 2067 T HA 0.511 4.861 4.350 0.000 0.000 0.296 2067 T C -0.431 174.220 174.700 -0.082 0.000 1.015 2067 T CA -0.303 61.743 62.100 -0.090 0.000 0.954 2067 T CB 0.230 69.072 68.868 -0.044 0.000 0.950 2067 T HN 0.569 nan 8.240 nan 0.000 0.450 2068 I N 3.348 123.879 120.570 -0.065 0.000 2.354 2068 I HA 0.351 4.522 4.170 0.000 0.000 0.292 2068 I C 0.416 176.530 176.117 -0.005 0.000 0.989 2068 I CA -1.038 60.236 61.300 -0.043 0.000 1.188 2068 I CB 1.458 39.428 38.000 -0.049 0.000 1.342 2068 I HN 0.431 nan 8.210 nan 0.000 0.457 2069 N N 4.209 122.909 118.700 -0.000 0.000 2.453 2069 N HA 0.028 4.768 4.740 0.000 0.000 0.253 2069 N C -0.411 175.117 175.510 0.029 0.000 1.252 2069 N CA -0.023 53.035 53.050 0.013 0.000 0.917 2069 N CB 0.570 39.061 38.487 0.007 0.000 1.117 2069 N HN 0.374 nan 8.380 nan 0.000 0.442 2070 Q N 1.022 120.843 119.800 0.037 0.000 2.333 2070 Q HA 0.063 4.403 4.340 0.000 0.000 0.299 2070 Q C -0.556 175.466 176.000 0.036 0.000 1.067 2070 Q CA 0.897 56.728 55.803 0.047 0.000 0.943 2070 Q CB 0.140 28.896 28.738 0.030 0.000 1.233 2070 Q HN 0.548 nan 8.270 nan 0.000 0.401 2071 Q N -0.748 119.083 119.800 0.051 0.000 2.403 2071 Q HA 0.424 4.764 4.340 0.000 0.000 0.267 2071 Q C -1.234 174.793 176.000 0.045 0.000 0.991 2071 Q CA -0.682 55.144 55.803 0.038 0.000 0.906 2071 Q CB 1.232 29.994 28.738 0.041 0.000 1.422 2071 Q HN 0.417 nan 8.270 nan 0.000 0.400 2072 S N 2.335 118.042 115.700 0.013 0.000 2.481 2072 S HA 0.175 4.646 4.470 0.000 0.000 0.282 2072 S C -0.751 173.878 174.600 0.048 0.000 1.243 2072 S CA 0.390 58.590 58.200 0.000 0.000 1.078 2072 S CB -0.046 63.143 63.200 -0.019 0.000 0.916 2072 S HN 0.611 nan 8.310 nan 0.000 0.495 2073 Q N 3.052 122.916 119.800 0.106 0.000 2.633 2073 Q HA 0.454 4.794 4.340 0.000 0.000 0.289 2073 Q C -1.531 174.599 176.000 0.216 0.000 0.940 2073 Q CA -1.161 54.725 55.803 0.138 0.000 0.785 2073 Q CB 0.772 29.591 28.738 0.136 0.000 1.467 2073 Q HN 0.533 nan 8.270 nan 0.000 0.401 2074 E N 0.397 120.684 120.200 0.145 0.000 2.343 2074 E HA 0.148 4.498 4.350 0.000 0.000 0.269 2074 E C 0.738 177.400 176.600 0.103 0.000 1.047 2074 E CA -0.329 56.160 56.400 0.147 0.000 0.874 2074 E CB 1.730 31.477 29.700 0.079 0.000 1.033 2074 E HN 0.434 nan 8.360 nan 0.000 0.409 2075 V N 2.753 122.719 119.914 0.087 0.000 2.278 2075 V HA -0.294 3.826 4.120 0.000 0.000 0.251 2075 V C 2.054 178.094 176.094 -0.091 0.000 1.062 2075 V CA 2.517 64.746 62.300 -0.118 0.000 1.038 2075 V CB -0.864 30.937 31.823 -0.037 0.000 0.646 2075 V HN 0.995 nan 8.190 nan 0.000 0.447 2076 G N -0.704 108.087 108.800 -0.015 0.000 2.440 2076 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 2076 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 2076 G C 1.771 176.664 174.900 -0.011 0.000 1.154 2076 G CA 1.130 46.227 45.100 -0.006 0.000 0.767 2076 G HN 0.644 nan 8.290 nan 0.000 0.552 2077 A N 0.557 123.376 122.820 -0.001 0.000 1.902 2077 A HA -0.006 4.314 4.320 0.000 0.000 0.217 2077 A C 2.363 179.939 177.584 -0.013 0.000 1.181 2077 A CA 2.019 54.059 52.037 0.004 0.000 0.623 2077 A CB -0.434 18.579 19.000 0.022 0.000 0.818 2077 A HN 0.445 nan 8.150 nan 0.000 0.443 2078 M N -0.268 119.303 119.600 -0.048 0.000 2.086 2078 M HA -0.134 4.346 4.480 0.000 0.000 0.261 2078 M C 1.920 178.168 176.300 -0.086 0.000 1.067 2078 M CA 2.161 57.406 55.300 -0.091 0.000 1.116 2078 M CB -0.274 32.189 32.600 -0.228 0.000 1.348 2078 M HN 0.178 nan 8.290 nan 0.000 0.407 2079 V N 1.263 121.120 119.914 -0.096 0.000 2.332 2079 V HA -0.304 3.816 4.120 0.000 0.000 0.248 2079 V C 1.855 177.955 176.094 0.010 0.000 1.055 2079 V CA 2.231 64.506 62.300 -0.041 0.000 1.038 2079 V CB -1.048 30.764 31.823 -0.019 0.000 0.651 2079 V HN 0.507 nan 8.190 nan 0.000 0.450 2080 D N -0.063 120.342 120.400 0.007 0.000 2.144 2080 D HA -0.154 4.486 4.640 0.000 0.000 0.199 2080 D C 2.243 178.566 176.300 0.038 0.000 0.984 2080 D CA 1.187 55.200 54.000 0.022 0.000 0.834 2080 D CB -0.193 40.616 40.800 0.014 0.000 0.955 2080 D HN 0.456 nan 8.370 nan 0.000 0.465 2081 K N 0.114 120.533 120.400 0.032 0.000 2.097 2081 K HA -0.002 4.318 4.320 0.000 0.000 0.205 2081 K C 2.281 178.934 176.600 0.088 0.000 1.050 2081 K CA 0.526 56.843 56.287 0.049 0.000 0.938 2081 K CB 0.054 32.568 32.500 0.024 0.000 0.718 2081 K HN 0.160 nan 8.250 nan 0.000 0.442 2082 I N 1.058 121.672 120.570 0.073 0.000 2.226 2082 I HA -0.265 3.905 4.170 0.000 0.000 0.245 2082 I C 2.506 178.731 176.117 0.180 0.000 1.100 2082 I CA 1.100 62.474 61.300 0.124 0.000 1.374 2082 I CB -0.385 37.672 38.000 0.094 0.000 1.057 2082 I HN 0.137 nan 8.210 nan 0.000 0.413 2083 A N 0.671 123.566 122.820 0.126 0.000 1.933 2083 A HA -0.254 4.066 4.320 0.000 0.000 0.218 2083 A C 2.401 180.062 177.584 0.127 0.000 1.175 2083 A CA 1.841 53.943 52.037 0.108 0.000 0.628 2083 A CB -0.509 18.524 19.000 0.056 0.000 0.814 2083 A HN 0.367 nan 8.150 nan 0.000 0.444 2084 K N -1.488 118.988 120.400 0.127 0.000 2.026 2084 K HA -0.165 4.155 4.320 0.000 0.000 0.208 2084 K C 1.830 178.513 176.600 0.139 0.000 1.048 2084 K CA 1.623 57.988 56.287 0.129 0.000 0.929 2084 K CB -0.357 32.204 32.500 0.102 0.000 0.713 2084 K HN 0.369 nan 8.250 nan 0.000 0.439 2085 F N 1.909 121.877 119.950 0.031 0.000 2.069 2085 F HA -0.199 4.329 4.527 0.000 0.000 0.298 2085 F C 1.741 177.559 175.800 0.030 0.000 1.113 2085 F CA 1.537 59.544 58.000 0.012 0.000 1.214 2085 F CB -0.285 38.728 39.000 0.021 0.000 0.978 2085 F HN -0.022 nan 8.300 nan 0.000 0.474 2086 L N -0.798 120.492 121.223 0.113 0.000 2.056 2086 L HA -0.225 4.116 4.340 0.000 0.000 0.207 2086 L C 2.535 179.433 176.870 0.047 0.000 1.078 2086 L CA 1.723 56.629 54.840 0.109 0.000 0.749 2086 L CB -1.038 41.135 42.059 0.190 0.000 0.901 2086 L HN 0.242 nan 8.230 nan 0.000 0.433 2087 H N 0.107 119.142 119.070 -0.059 0.000 2.389 2087 H HA -0.153 4.404 4.556 0.000 0.000 0.299 2087 H C 1.823 177.058 175.328 -0.154 0.000 1.081 2087 H CA 1.577 57.570 56.048 -0.093 0.000 1.345 2087 H CB 0.002 29.720 29.762 -0.073 0.000 1.393 2087 H HN 0.198 nan 8.280 nan 0.000 0.520 2088 D N -0.108 120.119 120.400 -0.287 0.000 2.123 2088 D HA -0.106 4.535 4.640 0.000 0.000 0.196 2088 D C 2.030 178.033 176.300 -0.495 0.000 0.992 2088 D CA 1.581 55.356 54.000 -0.376 0.000 0.833 2088 D CB -0.391 40.255 40.800 -0.256 0.000 0.954 2088 D HN 0.563 nan 8.370 nan 0.000 0.455 2089 A N -0.793 121.642 122.820 -0.642 0.000 2.030 2089 A HA 0.078 4.398 4.320 0.000 0.000 0.215 2089 A C 0.674 177.607 177.584 -1.086 0.000 1.164 2089 A CA 0.297 51.756 52.037 -0.963 0.000 0.697 2089 A CB 0.026 18.181 19.000 -1.408 0.000 0.827 2089 A HN 0.136 nan 8.150 nan 0.000 0.457 2090 F N -1.013 118.745 119.950 -0.320 0.000 2.761 2090 F HA 0.493 5.020 4.527 0.000 0.000 0.367 2090 F C 1.501 177.129 175.800 -0.286 0.000 1.386 2090 F CA -0.417 57.415 58.000 -0.281 0.000 1.177 2090 F CB 0.047 38.920 39.000 -0.212 0.000 1.092 2090 F HN 0.149 nan 8.300 nan 0.000 0.517 2091 A N 0.364 123.034 122.820 -0.251 0.000 2.076 2091 A HA -0.007 4.313 4.320 0.000 0.000 0.220 2091 A C 2.345 179.838 177.584 -0.151 0.000 1.160 2091 A CA 1.800 53.691 52.037 -0.243 0.000 0.653 2091 A CB -0.472 18.297 19.000 -0.385 0.000 0.801 2091 A HN 0.458 nan 8.150 nan 0.000 0.455 2092 A N -0.998 121.672 122.820 -0.250 0.000 2.119 2092 A HA 0.236 4.556 4.320 0.000 0.000 0.217 2092 A C 1.805 179.214 177.584 -0.292 0.000 1.153 2092 A CA 1.554 53.385 52.037 -0.344 0.000 0.692 2092 A CB -0.188 18.399 19.000 -0.687 0.000 0.799 2092 A HN 0.447 nan 8.150 nan 0.000 0.458 2093 V N -1.124 118.670 119.914 -0.200 0.000 3.307 2093 V HA 0.138 4.258 4.120 0.000 0.000 0.244 2093 V C 0.525 176.579 176.094 -0.067 0.000 1.196 2093 V CA 0.865 63.118 62.300 -0.079 0.000 1.132 2093 V CB 0.321 32.112 31.823 -0.054 0.000 0.875 2093 V HN 0.414 nan 8.190 nan 0.000 0.468 2094 V N -0.758 119.103 119.914 -0.089 0.000 2.876 2094 V HA 0.690 4.810 4.120 0.000 0.000 0.312 2094 V C -0.672 175.439 176.094 0.028 0.000 1.085 2094 V CA -0.842 61.371 62.300 -0.145 0.000 0.945 2094 V CB 2.039 33.646 31.823 -0.359 0.000 1.017 2094 V HN 0.352 nan 8.190 nan 0.000 0.428 2095 D N 2.974 123.336 120.400 -0.063 0.000 2.453 2095 D HA 0.229 4.870 4.640 0.000 0.000 0.282 2095 D C 0.645 176.696 176.300 -0.414 0.000 1.222 2095 D CA -0.166 53.729 54.000 -0.175 0.000 1.079 2095 D CB 1.558 42.265 40.800 -0.154 0.000 1.128 2095 D HN 0.569 nan 8.370 nan 0.000 0.568 2096 L N -0.536 120.308 121.223 -0.632 0.000 2.453 2096 L HA 0.129 4.469 4.340 0.000 0.000 0.190 2096 L C 2.265 179.022 176.870 -0.190 0.000 1.093 2096 L CA 0.983 55.556 54.840 -0.446 0.000 0.834 2096 L CB -0.751 41.004 42.059 -0.507 0.000 1.090 2096 L HN 0.392 nan 8.230 nan 0.000 0.489 2097 S N 0.146 115.747 115.700 -0.165 0.000 2.348 2097 S HA -0.150 4.320 4.470 0.000 0.000 0.221 2097 S C 1.893 176.466 174.600 -0.045 0.000 1.033 2097 S CA 1.519 59.671 58.200 -0.081 0.000 1.010 2097 S CB -0.306 62.852 63.200 -0.069 0.000 0.891 2097 S HN 0.346 nan 8.310 nan 0.000 0.442 2098 K N 0.588 120.959 120.400 -0.049 0.000 2.097 2098 K HA -0.049 4.272 4.320 0.000 0.000 0.206 2098 K C 2.145 178.755 176.600 0.017 0.000 1.049 2098 K CA 0.931 57.213 56.287 -0.008 0.000 0.933 2098 K CB -0.401 32.096 32.500 -0.005 0.000 0.717 2098 K HN 0.180 nan 8.250 nan 0.000 0.442 2099 L N 1.193 122.402 121.223 -0.023 0.000 2.012 2099 L HA -0.160 4.180 4.340 0.000 0.000 0.210 2099 L C 2.209 179.122 176.870 0.072 0.000 1.073 2099 L CA 1.920 56.760 54.840 -0.000 0.000 0.748 2099 L CB -0.685 41.315 42.059 -0.098 0.000 0.891 2099 L HN 0.110 nan 8.230 nan 0.000 0.431 2100 A N -0.472 122.370 122.820 0.037 0.000 1.902 2100 A HA -0.123 4.197 4.320 0.000 0.000 0.217 2100 A C 2.461 180.088 177.584 0.071 0.000 1.181 2100 A CA 1.910 53.981 52.037 0.056 0.000 0.623 2100 A CB -1.221 17.793 19.000 0.023 0.000 0.818 2100 A HN 0.607 nan 8.150 nan 0.000 0.443 2101 A N -0.116 122.736 122.820 0.055 0.000 1.902 2101 A HA -0.097 4.223 4.320 0.000 0.000 0.217 2101 A C 2.131 179.763 177.584 0.080 0.000 1.181 2101 A CA 1.555 53.625 52.037 0.055 0.000 0.623 2101 A CB -0.592 18.431 19.000 0.038 0.000 0.818 2101 A HN 0.505 nan 8.150 nan 0.000 0.443 2102 I N -0.451 120.189 120.570 0.118 0.000 2.179 2102 I HA -0.258 3.912 4.170 0.000 0.000 0.242 2102 I C 2.289 178.514 176.117 0.180 0.000 1.088 2102 I CA 1.389 62.785 61.300 0.159 0.000 1.357 2102 I CB -0.285 37.868 38.000 0.255 0.000 1.051 2102 I HN 0.312 nan 8.210 nan 0.000 0.409 2103 I N -0.052 120.661 120.570 0.239 0.000 2.252 2103 I HA -0.280 3.890 4.170 0.000 0.000 0.245 2103 I C 2.477 178.726 176.117 0.220 0.000 1.102 2103 I CA 1.012 62.489 61.300 0.295 0.000 1.385 2103 I CB -0.289 37.903 38.000 0.320 0.000 1.064 2103 I HN 0.219 nan 8.210 nan 0.000 0.414 2104 L N 1.124 122.433 121.223 0.143 0.000 2.017 2104 L HA -0.228 4.112 4.340 0.000 0.000 0.208 2104 L C 2.004 178.919 176.870 0.075 0.000 1.073 2104 L CA 2.041 56.946 54.840 0.108 0.000 0.745 2104 L CB -0.921 41.177 42.059 0.065 0.000 0.894 2104 L HN 0.237 nan 8.230 nan 0.000 0.432 2105 N N -1.687 117.036 118.700 0.038 0.000 2.166 2105 N HA -0.187 4.553 4.740 0.000 0.000 0.186 2105 N C 1.491 176.951 175.510 -0.083 0.000 1.019 2105 N CA 1.611 54.656 53.050 -0.009 0.000 0.856 2105 N CB -0.181 38.304 38.487 -0.003 0.000 0.993 2105 N HN 0.420 nan 8.380 nan 0.000 0.426 2106 T N 0.619 115.079 114.554 -0.156 0.000 2.674 2106 T HA -0.090 4.260 4.350 0.000 0.000 0.265 2106 T C 1.412 175.806 174.700 -0.510 0.000 1.039 2106 T CA 1.115 62.957 62.100 -0.428 0.000 1.150 2106 T CB -0.386 67.960 68.868 -0.869 0.000 0.864 2106 T HN 0.163 nan 8.240 nan 0.000 0.427 2107 F N 1.657 121.482 119.950 -0.208 0.000 2.604 2107 F HA 0.036 4.563 4.527 0.000 0.000 0.298 2107 F C 2.513 178.289 175.800 -0.040 0.000 1.131 2107 F CA 0.803 58.722 58.000 -0.135 0.000 1.457 2107 F CB -0.453 38.507 39.000 -0.067 0.000 1.095 2107 F HN 0.231 nan 8.300 nan 0.000 0.574 2108 T N -4.638 109.952 114.554 0.060 0.000 3.069 2108 T HA 0.157 4.507 4.350 0.000 0.000 0.252 2108 T C 0.584 175.281 174.700 -0.006 0.000 1.053 2108 T CA 0.009 62.148 62.100 0.064 0.000 0.964 2108 T CB -0.408 68.494 68.868 0.057 0.000 1.005 2108 T HN 0.075 nan 8.240 nan 0.000 0.532 2109 N N 0.171 118.814 118.700 -0.096 0.000 2.451 2109 N HA 0.442 5.182 4.740 0.000 0.000 0.271 2109 N C 0.883 176.236 175.510 -0.261 0.000 1.410 2109 N CA -0.165 52.794 53.050 -0.152 0.000 0.884 2109 N CB 0.467 38.871 38.487 -0.138 0.000 1.332 2109 N HN 0.158 nan 8.380 nan 0.000 0.498 2110 L N 0.210 121.269 121.223 -0.272 0.000 2.131 2110 L HA -0.135 4.205 4.340 0.000 0.000 0.210 2110 L C 2.380 178.952 176.870 -0.496 0.000 1.092 2110 L CA 1.340 55.924 54.840 -0.426 0.000 0.759 2110 L CB -0.099 41.701 42.059 -0.431 0.000 0.903 2110 L HN 0.425 nan 8.230 nan 0.000 0.435 2111 E N 0.545 120.319 120.200 -0.710 0.000 2.051 2111 E HA -0.253 4.097 4.350 0.000 0.000 0.192 2111 E C 2.008 178.150 176.600 -0.764 0.000 0.991 2111 E CA 1.438 56.968 56.400 -1.449 0.000 0.799 2111 E CB 0.085 28.977 29.700 -1.347 0.000 0.748 2111 E HN 0.479 nan 8.360 nan 0.000 0.449 2112 E N -0.073 119.844 120.200 -0.472 0.000 2.107 2112 E HA -0.147 4.204 4.350 0.000 0.000 0.191 2112 E C 1.666 178.105 176.600 -0.268 0.000 0.982 2112 E CA 0.959 57.172 56.400 -0.311 0.000 0.809 2112 E CB 0.089 29.658 29.700 -0.218 0.000 0.756 2112 E HN 0.370 nan 8.360 nan 0.000 0.459 2113 E N 0.277 120.299 120.200 -0.296 0.000 2.479 2113 E HA 0.001 4.351 4.350 0.000 0.000 0.193 2113 E C 1.738 178.158 176.600 -0.301 0.000 1.049 2113 E CA -0.138 56.090 56.400 -0.286 0.000 0.870 2113 E CB 0.293 29.827 29.700 -0.276 0.000 0.944 2113 E HN -0.013 nan 8.360 nan 0.000 0.492 2114 S N 0.829 116.384 115.700 -0.241 0.000 2.380 2114 S HA -0.206 4.264 4.470 0.000 0.000 0.229 2114 S C 1.926 176.533 174.600 0.011 0.000 1.043 2114 S CA 1.690 59.894 58.200 0.008 0.000 1.038 2114 S CB -0.081 63.196 63.200 0.127 0.000 0.872 2114 S HN 0.150 nan 8.310 nan 0.000 0.456 2115 S N 1.165 116.811 115.700 -0.090 0.000 2.603 2115 S HA 0.214 4.685 4.470 0.000 0.000 0.220 2115 S C 0.634 175.126 174.600 -0.180 0.000 0.967 2115 S CA -0.160 57.983 58.200 -0.096 0.000 0.920 2115 S CB -0.037 63.112 63.200 -0.085 0.000 0.773 2115 S HN 0.494 nan 8.310 nan 0.000 0.529 2116 S N 1.264 116.768 115.700 -0.325 0.000 2.558 2116 S HA 0.193 4.663 4.470 0.000 0.000 0.288 2116 S C 1.587 175.893 174.600 -0.490 0.000 1.318 2116 S CA -0.105 57.745 58.200 -0.585 0.000 1.056 2116 S CB 0.999 63.399 63.200 -1.333 0.000 0.853 2116 S HN 0.519 nan 8.310 nan 0.000 0.505 2117 G N 1.252 109.844 108.800 -0.347 0.000 2.679 2117 G HA2 -0.035 3.925 3.960 0.000 0.000 0.212 2117 G HA3 -0.035 3.925 3.960 0.000 0.000 0.212 2117 G C 0.524 175.351 174.900 -0.121 0.000 1.137 2117 G CA 0.197 45.198 45.100 -0.164 0.000 0.787 2117 G HN 0.763 nan 8.290 nan 0.000 0.534 2118 F N -1.173 118.744 119.950 -0.055 0.000 2.639 2118 F HA 0.647 5.174 4.527 0.000 0.000 0.302 2118 F C -0.080 175.708 175.800 -0.019 0.000 1.097 2118 F CA -1.417 56.520 58.000 -0.104 0.000 1.294 2118 F CB 0.009 38.955 39.000 -0.091 0.000 1.027 2118 F HN -0.201 nan 8.300 nan 0.000 0.550 2119 L N 1.633 122.820 121.223 -0.060 0.000 2.408 2119 L HA 0.573 4.914 4.340 0.000 0.000 0.268 2119 L C -1.113 175.820 176.870 0.104 0.000 0.986 2119 L CA -0.974 53.938 54.840 0.121 0.000 0.820 2119 L CB 2.268 44.365 42.059 0.063 0.000 1.303 2119 L HN 0.006 nan 8.230 nan 0.000 0.411 2120 Q N 2.720 122.600 119.800 0.133 0.000 2.275 2120 Q HA 0.414 4.754 4.340 0.000 0.000 0.266 2120 Q C -1.666 174.214 176.000 -0.200 0.000 1.002 2120 Q CA -0.333 55.392 55.803 -0.130 0.000 0.761 2120 Q CB 1.664 30.105 28.738 -0.494 0.000 1.255 2120 Q HN 0.386 nan 8.270 nan 0.000 0.446 2121 F N 3.564 123.105 119.950 -0.683 0.000 2.377 2121 F HA 0.775 5.302 4.527 0.001 0.000 0.328 2121 F C -0.569 174.902 175.800 -0.547 0.000 1.094 2121 F CA -0.205 57.100 58.000 -1.159 0.000 1.093 2121 F CB 1.179 39.146 39.000 -1.721 0.000 1.214 2121 F HN 0.712 nan 8.300 nan 0.000 0.518 2122 N N 0.906 118.695 118.700 -1.519 0.000 2.710 2122 N HA 0.464 5.204 4.740 0.000 0.000 0.257 2122 N C -1.734 173.141 175.510 -1.058 0.000 1.327 2122 N CA -0.330 52.162 53.050 -0.930 0.000 0.861 2122 N CB 1.988 40.300 38.487 -0.292 0.000 1.532 2122 N HN 0.738 nan 8.380 nan 0.000 0.499 2123 T N -1.191 113.037 114.554 -0.543 0.000 2.916 2123 T HA 0.518 4.869 4.350 0.000 0.000 0.292 2123 T C -0.920 173.692 174.700 -0.146 0.000 1.055 2123 T CA -0.936 60.985 62.100 -0.298 0.000 1.009 2123 T CB 1.197 69.987 68.868 -0.130 0.000 1.118 2123 T HN 0.492 nan 8.240 nan 0.000 0.497 2124 N N 0.994 119.647 118.700 -0.078 0.000 2.564 2124 N HA 0.252 4.992 4.740 0.000 0.000 0.248 2124 N C 0.291 175.787 175.510 -0.023 0.000 0.986 2124 N CA -0.684 52.338 53.050 -0.047 0.000 0.921 2124 N CB 0.712 39.179 38.487 -0.033 0.000 1.136 2124 N HN 0.574 nan 8.380 nan 0.000 0.509 2125 N N 1.549 120.237 118.700 -0.021 0.000 2.094 2125 N HA -0.181 4.559 4.740 0.000 0.000 0.191 2125 N C 1.522 177.028 175.510 -0.006 0.000 1.023 2125 N CA 1.135 54.180 53.050 -0.009 0.000 0.857 2125 N CB 0.064 38.546 38.487 -0.008 0.000 1.013 2125 N HN 0.266 nan 8.380 nan 0.000 0.426 2126 V N 1.096 121.005 119.914 -0.009 0.000 2.216 2126 V HA -0.214 3.906 4.120 0.000 0.000 0.243 2126 V C 1.835 177.925 176.094 -0.006 0.000 1.044 2126 V CA 1.655 63.950 62.300 -0.007 0.000 0.995 2126 V CB -0.465 31.352 31.823 -0.009 0.000 0.633 2126 V HN 0.308 nan 8.190 nan 0.000 0.446 2127 K N -0.146 120.251 120.400 -0.006 0.000 2.442 2127 K HA -0.062 4.259 4.320 0.000 0.000 0.198 2127 K C 0.649 177.249 176.600 -0.001 0.000 1.042 2127 K CA 0.366 56.651 56.287 -0.003 0.000 0.958 2127 K CB -0.165 32.334 32.500 -0.001 0.000 0.766 2127 K HN 0.406 nan 8.250 nan 0.000 0.474 2128 K N 0.969 121.370 120.400 0.001 0.000 3.069 2128 K HA -0.224 4.097 4.320 0.000 0.000 0.267 2128 K C -0.441 176.171 176.600 0.019 0.000 1.082 2128 K CA 0.965 57.257 56.287 0.008 0.000 0.782 2128 K CB -2.041 30.461 32.500 0.003 0.000 1.230 2128 K HN 0.666 nan 8.250 nan 0.000 0.488 2129 N N -0.932 117.783 118.700 0.026 0.000 3.002 2129 N HA 0.632 5.372 4.740 0.000 0.000 0.331 2129 N C -0.557 175.005 175.510 0.086 0.000 1.384 2129 N CA -0.513 52.572 53.050 0.059 0.000 0.780 2129 N CB 1.910 40.427 38.487 0.050 0.000 1.492 2129 N HN 0.060 nan 8.380 nan 0.000 0.608 2130 S N -1.354 114.458 115.700 0.186 0.000 2.643 2130 S HA 0.700 5.170 4.470 0.000 0.000 0.270 2130 S C -1.265 173.503 174.600 0.280 0.000 1.166 2130 S CA -0.670 57.612 58.200 0.136 0.000 0.815 2130 S CB 1.220 64.601 63.200 0.303 0.000 1.139 2130 S HN 1.047 nan 8.310 nan 0.000 0.472 2131 S N -0.955 114.699 115.700 -0.077 0.000 2.615 2131 S HA 0.809 5.279 4.470 0.000 0.000 0.269 2131 S C -2.356 172.084 174.600 -0.266 0.000 1.161 2131 S CA -0.923 57.303 58.200 0.044 0.000 0.817 2131 S CB 0.612 63.872 63.200 0.099 0.000 1.131 2131 S HN 0.898 nan 8.310 nan 0.000 0.467 2132 W N 0.651 121.925 121.300 -0.043 0.000 2.957 2132 W HA 0.595 5.255 4.660 0.000 0.000 0.336 2132 W C -0.484 176.171 176.519 0.228 0.000 1.087 2132 W CA -0.308 57.057 57.345 0.034 0.000 1.235 2132 W CB 1.784 31.223 29.460 -0.036 0.000 1.399 2132 W HN 0.929 nan 8.180 nan 0.000 0.480 2133 E N 2.725 123.208 120.200 0.471 0.000 2.156 2133 E HA 0.254 4.604 4.350 0.000 0.000 0.279 2133 E C -1.683 175.177 176.600 0.432 0.000 0.965 2133 E CA -0.790 55.874 56.400 0.440 0.000 0.789 2133 E CB 1.151 31.104 29.700 0.422 0.000 1.098 2133 E HN 0.416 nan 8.360 nan 0.000 0.397 2134 Y N 4.711 125.184 120.300 0.288 0.000 2.328 2134 Y HA 0.417 4.968 4.550 0.000 0.000 0.336 2134 Y C -1.196 174.762 175.900 0.097 0.000 0.960 2134 Y CA -1.242 56.976 58.100 0.196 0.000 1.134 2134 Y CB 0.929 39.533 38.460 0.241 0.000 1.166 2134 Y HN 0.504 nan 8.280 nan 0.000 0.464 2135 R N 5.318 125.671 120.500 -0.246 0.000 2.295 2135 R HA 0.675 5.016 4.340 0.000 0.000 0.324 2135 R C -1.546 174.344 176.300 -0.683 0.000 0.968 2135 R CA -0.973 54.735 56.100 -0.652 0.000 0.837 2135 R CB 2.085 31.651 30.300 -1.223 0.000 1.133 2135 R HN 0.509 nan 8.270 nan 0.000 0.450 2136 V N 5.276 124.889 119.914 -0.503 0.000 2.841 2136 V HA 0.518 4.638 4.120 0.000 0.000 0.310 2136 V C -1.525 174.344 176.094 -0.375 0.000 1.090 2136 V CA -0.890 61.055 62.300 -0.592 0.000 0.930 2136 V CB 2.202 33.426 31.823 -0.998 0.000 1.014 2136 V HN 0.697 nan 8.190 nan 0.000 0.425 2137 L N 6.431 127.372 121.223 -0.470 0.000 2.377 2137 L HA 0.639 4.979 4.340 0.000 0.000 0.270 2137 L C -1.422 175.213 176.870 -0.391 0.000 0.991 2137 L CA -0.338 54.278 54.840 -0.373 0.000 0.851 2137 L CB 1.139 43.009 42.059 -0.315 0.000 1.218 2137 L HN 0.659 nan 8.230 nan 0.000 0.420 2138 F N 2.362 122.298 119.950 -0.022 0.000 2.394 2138 F HA 0.509 5.037 4.527 0.000 0.000 0.340 2138 F C 0.603 176.447 175.800 0.074 0.000 1.105 2138 F CA -0.252 57.758 58.000 0.017 0.000 1.124 2138 F CB 1.809 40.818 39.000 0.015 0.000 1.145 2138 F HN 0.311 nan 8.300 nan 0.000 0.505 2139 S N 1.782 117.647 115.700 0.274 0.000 2.547 2139 S HA 0.768 5.238 4.470 0.000 0.000 0.281 2139 S C -1.040 173.722 174.600 0.269 0.000 1.118 2139 S CA -0.835 57.544 58.200 0.298 0.000 0.947 2139 S CB 2.051 65.385 63.200 0.224 0.000 1.053 2139 S HN 0.551 nan 8.310 nan 0.000 0.482 2140 V N 0.477 120.608 119.914 0.362 0.000 2.808 2140 V HA 0.772 4.892 4.120 0.000 0.000 0.308 2140 V C -2.997 173.351 176.094 0.424 0.000 1.099 2140 V CA -2.563 59.925 62.300 0.313 0.000 0.920 2140 V CB 1.928 33.915 31.823 0.272 0.000 1.014 2140 V HN 0.651 nan 8.190 nan 0.000 0.425 2141 P HA 0.294 nan 4.420 nan 0.000 0.274 2141 P C 0.243 177.808 177.300 0.441 0.000 1.231 2141 P CA -0.091 63.232 63.100 0.371 0.000 0.790 2141 P CB 1.026 32.855 31.700 0.215 0.000 0.951 2142 F N 1.095 121.137 119.950 0.152 0.000 2.234 2142 F HA 0.112 4.639 4.527 0.000 0.000 0.299 2142 F C 1.921 177.791 175.800 0.117 0.000 1.087 2142 F CA 2.089 60.154 58.000 0.108 0.000 1.340 2142 F CB -0.908 38.107 39.000 0.026 0.000 1.031 2142 F HN 0.676 nan 8.300 nan 0.000 0.500 2143 G N -0.350 108.631 108.800 0.302 0.000 2.422 2143 G HA2 -0.183 3.777 3.960 0.000 0.000 0.607 2143 G HA3 -0.183 3.777 3.960 0.000 0.000 0.607 2143 G C -0.091 174.905 174.900 0.160 0.000 1.270 2143 G CA -0.242 44.970 45.100 0.186 0.000 0.992 2143 G HN -0.040 nan 8.290 nan 0.000 0.499 2144 D N 0.347 120.814 120.400 0.112 0.000 2.351 2144 D HA -0.049 4.592 4.640 0.000 0.000 0.216 2144 D C 2.006 178.362 176.300 0.093 0.000 0.968 2144 D CA 0.897 54.951 54.000 0.091 0.000 0.899 2144 D CB 0.014 40.853 40.800 0.066 0.000 0.907 2144 D HN 0.319 nan 8.370 nan 0.000 0.514 2145 N N 0.114 118.879 118.700 0.110 0.000 2.463 2145 N HA 0.061 4.801 4.740 0.000 0.000 0.181 2145 N C 0.205 175.789 175.510 0.123 0.000 1.078 2145 N CA 0.314 53.425 53.050 0.100 0.000 0.902 2145 N CB 0.735 39.276 38.487 0.090 0.000 0.970 2145 N HN 0.022 nan 8.380 nan 0.000 0.451 2146 A N 0.395 123.316 122.820 0.168 0.000 3.307 2146 A HA 0.414 4.734 4.320 0.000 0.000 0.289 2146 A C -2.097 175.604 177.584 0.195 0.000 1.138 2146 A CA -0.758 51.390 52.037 0.185 0.000 0.860 2146 A CB 0.735 19.840 19.000 0.175 0.000 1.318 2146 A HN -0.165 nan 8.150 nan 0.000 0.551 2147 P HA -0.123 nan 4.420 nan 0.000 0.220 2147 P C 1.330 178.668 177.300 0.063 0.000 1.144 2147 P CA 1.620 64.779 63.100 0.099 0.000 0.800 2147 P CB 0.347 32.086 31.700 0.065 0.000 0.772 2148 S N -2.978 112.736 115.700 0.023 0.000 2.593 2148 S HA 0.089 4.559 4.470 0.000 0.000 0.217 2148 S C 0.207 174.606 174.600 -0.336 0.000 0.966 2148 S CA 0.234 58.338 58.200 -0.159 0.000 0.914 2148 S CB -0.418 62.601 63.200 -0.301 0.000 0.776 2148 S HN 0.160 nan 8.310 nan 0.000 0.523 2149 Y N 0.900 121.097 120.300 -0.171 0.000 2.509 2149 Y HA 0.618 5.168 4.550 0.000 0.000 0.341 2149 Y C -0.358 175.451 175.900 -0.152 0.000 1.038 2149 Y CA -1.595 56.244 58.100 -0.436 0.000 1.089 2149 Y CB 1.169 38.883 38.460 -1.244 0.000 1.241 2149 Y HN 0.144 nan 8.280 nan 0.000 0.468 2150 F N -1.275 118.587 119.950 -0.147 0.000 2.668 2150 F HA 0.669 5.196 4.527 0.000 0.000 0.309 2150 F C -2.190 173.685 175.800 0.126 0.000 1.117 2150 F CA -2.080 55.988 58.000 0.113 0.000 0.951 2150 F CB 0.830 39.895 39.000 0.109 0.000 1.323 2150 F HN 0.257 nan 8.300 nan 0.000 0.451 2151 Y N 0.626 121.218 120.300 0.487 0.000 2.334 2151 Y HA 0.656 5.206 4.550 0.000 0.000 0.328 2151 Y C 0.158 176.222 175.900 0.273 0.000 1.130 2151 Y CA -0.549 57.721 58.100 0.283 0.000 1.163 2151 Y CB 2.026 40.624 38.460 0.230 0.000 1.207 2151 Y HN 0.699 nan 8.280 nan 0.000 0.471 2152 S N 2.982 118.866 115.700 0.307 0.000 2.561 2152 S HA 0.483 4.953 4.470 0.000 0.000 0.303 2152 S C -1.640 173.059 174.600 0.166 0.000 1.110 2152 S CA -0.577 57.770 58.200 0.245 0.000 1.034 2152 S CB 1.024 64.324 63.200 0.166 0.000 1.010 2152 S HN 0.479 nan 8.310 nan 0.000 0.482 2153 L N 5.301 126.613 121.223 0.148 0.000 2.324 2153 L HA 0.550 4.890 4.340 0.000 0.000 0.274 2153 L C -0.988 175.927 176.870 0.075 0.000 1.012 2153 L CA -0.409 54.467 54.840 0.060 0.000 0.859 2153 L CB 1.018 43.080 42.059 0.004 0.000 1.224 2153 L HN 0.433 nan 8.230 nan 0.000 0.429 2154 V N 4.381 124.330 119.914 0.058 0.000 2.405 2154 V HA 0.389 4.509 4.120 0.000 0.000 0.264 2154 V C 0.318 176.538 176.094 0.211 0.000 1.048 2154 V CA 0.004 62.263 62.300 -0.069 0.000 0.966 2154 V CB 0.583 32.331 31.823 -0.126 0.000 1.015 2154 V HN 0.833 nan 8.190 nan 0.000 0.477 2155 T N 3.482 118.157 114.554 0.202 0.000 2.861 2155 T HA 0.664 5.014 4.350 0.000 0.000 0.287 2155 T C -0.024 174.857 174.700 0.302 0.000 1.003 2155 T CA -0.622 61.670 62.100 0.320 0.000 0.977 2155 T CB 1.850 70.887 68.868 0.282 0.000 0.996 2155 T HN 0.814 nan 8.240 nan 0.000 0.448 2156 T N 0.207 115.012 114.554 0.419 0.000 2.893 2156 T HA 0.802 5.152 4.350 0.000 0.000 0.293 2156 T C -0.775 174.115 174.700 0.318 0.000 1.027 2156 T CA -0.801 61.493 62.100 0.323 0.000 0.988 2156 T CB 0.803 69.975 68.868 0.507 0.000 1.043 2156 T HN 0.503 nan 8.240 nan 0.000 0.461 2157 I N 3.025 123.777 120.570 0.304 0.000 2.468 2157 I HA 0.412 4.583 4.170 0.000 0.000 0.285 2157 I C -1.239 175.106 176.117 0.380 0.000 1.039 2157 I CA -1.019 60.480 61.300 0.332 0.000 1.074 2157 I CB 2.029 40.274 38.000 0.409 0.000 1.228 2157 I HN 0.541 nan 8.210 nan 0.000 0.436 2158 L N 8.507 129.906 121.223 0.293 0.000 2.298 2158 L HA 0.610 4.950 4.340 0.000 0.000 0.284 2158 L C -0.928 176.084 176.870 0.237 0.000 1.013 2158 L CA 0.016 55.035 54.840 0.298 0.000 0.824 2158 L CB 0.822 43.026 42.059 0.241 0.000 1.221 2158 L HN 0.407 nan 8.230 nan 0.000 0.418 2159 I N 4.481 125.224 120.570 0.288 0.000 2.378 2159 I HA 0.400 4.570 4.170 0.000 0.000 0.291 2159 I C -0.242 176.148 176.117 0.455 0.000 0.992 2159 I CA -0.362 61.090 61.300 0.253 0.000 1.154 2159 I CB 1.849 39.852 38.000 0.006 0.000 1.315 2159 I HN 0.536 nan 8.210 nan 0.000 0.448 2160 T N 5.157 119.970 114.554 0.431 0.000 2.856 2160 T HA 0.797 5.147 4.350 0.000 0.000 0.283 2160 T C -0.398 174.593 174.700 0.485 0.000 1.008 2160 T CA -0.568 61.797 62.100 0.441 0.000 0.997 2160 T CB 1.947 70.959 68.868 0.239 0.000 0.992 2160 T HN 0.715 nan 8.240 nan 0.000 0.454 2161 A N 1.786 124.867 122.820 0.435 0.000 2.556 2161 A HA 0.648 4.969 4.320 0.000 0.000 0.294 2161 A C -0.651 176.911 177.584 -0.037 0.000 1.091 2161 A CA -0.947 51.120 52.037 0.051 0.000 0.704 2161 A CB 1.124 19.968 19.000 -0.260 0.000 1.300 2161 A HN 0.816 nan 8.150 nan 0.000 0.406 2162 D N 1.229 121.514 120.400 -0.191 0.000 2.885 2162 D HA 0.185 4.826 4.640 0.000 0.000 0.234 2162 D C -0.485 175.717 176.300 -0.162 0.000 1.129 2162 D CA 0.414 54.333 54.000 -0.135 0.000 0.991 2162 D CB -0.423 40.289 40.800 -0.146 0.000 1.137 2162 D HN 0.368 nan 8.370 nan 0.000 0.459 2163 I N 0.506 121.003 120.570 -0.122 0.000 2.418 2163 I HA 0.105 4.275 4.170 0.000 0.000 0.287 2163 I C 1.387 177.536 176.117 0.053 0.000 1.008 2163 I CA -0.757 60.462 61.300 -0.135 0.000 1.104 2163 I CB 2.401 40.146 38.000 -0.425 0.000 1.264 2163 I HN 0.012 nan 8.210 nan 0.000 0.438 2164 E N 3.585 123.803 120.200 0.030 0.000 2.076 2164 E HA -0.061 4.289 4.350 0.000 0.000 0.190 2164 E C 0.146 176.829 176.600 0.139 0.000 0.979 2164 E CA 1.023 57.466 56.400 0.072 0.000 0.807 2164 E CB 0.533 30.248 29.700 0.026 0.000 0.761 2164 E HN 0.512 nan 8.360 nan 0.000 0.454 2165 E N -0.208 120.059 120.200 0.111 0.000 2.212 2165 E HA 0.134 4.484 4.350 0.000 0.000 0.270 2165 E C 0.059 176.725 176.600 0.110 0.000 0.956 2165 E CA -0.259 56.205 56.400 0.105 0.000 0.825 2165 E CB 1.573 31.271 29.700 -0.002 0.000 1.167 2165 E HN -0.061 nan 8.360 nan 0.000 0.400 2166 K N 0.599 120.944 120.400 -0.092 0.000 2.063 2166 K HA -0.179 4.141 4.320 0.000 0.000 0.208 2166 K C 1.409 177.524 176.600 -0.809 0.000 1.048 2166 K CA 2.026 57.881 56.287 -0.720 0.000 0.928 2166 K CB -0.141 31.664 32.500 -1.159 0.000 0.713 2166 K HN 0.702 nan 8.250 nan 0.000 0.442 2167 T N -2.608 111.517 114.554 -0.715 0.000 2.977 2167 T HA -0.043 4.307 4.350 0.000 0.000 0.271 2167 T C 1.851 176.239 174.700 -0.520 0.000 1.105 2167 T CA 0.973 62.504 62.100 -0.949 0.000 1.116 2167 T CB -0.420 68.231 68.868 -0.362 0.000 0.878 2167 T HN 0.321 nan 8.240 nan 0.000 0.509 2168 G N -0.345 108.304 108.800 -0.251 0.000 2.598 2168 G HA2 -0.002 3.958 3.960 0.000 0.000 0.215 2168 G HA3 -0.002 3.958 3.960 0.000 0.000 0.215 2168 G C 0.844 175.664 174.900 -0.134 0.000 1.131 2168 G CA -0.128 44.881 45.100 -0.152 0.000 0.785 2168 G HN 0.659 nan 8.290 nan 0.000 0.539 2169 W N -0.158 121.061 121.300 -0.135 0.000 3.077 2169 W HA 0.372 5.032 4.660 0.000 0.000 0.266 2169 W C 0.677 177.387 176.519 0.318 0.000 1.300 2169 W CA -1.349 56.068 57.345 0.120 0.000 1.586 2169 W CB -0.011 29.605 29.460 0.259 0.000 1.103 2169 W HN -0.002 nan 8.180 nan 0.000 0.652 2170 W N 1.238 122.677 121.300 0.231 0.000 2.216 2170 W HA 0.358 5.018 4.660 0.000 0.000 0.326 2170 W C 1.392 177.959 176.519 0.079 0.000 1.319 2170 W CA 0.069 57.483 57.345 0.115 0.000 1.213 2170 W CB 0.536 30.040 29.460 0.073 0.000 1.171 2170 W HN 0.089 nan 8.180 nan 0.000 0.557 2171 G N 2.352 111.330 108.800 0.296 0.000 2.176 2171 G HA2 -0.321 3.639 3.960 0.000 0.000 0.252 2171 G HA3 -0.321 3.639 3.960 0.000 0.000 0.252 2171 G C -0.212 174.778 174.900 0.150 0.000 1.024 2171 G CA -0.601 44.600 45.100 0.169 0.000 0.755 2171 G HN 0.445 nan 8.290 nan 0.000 0.507 2172 L N 0.947 122.282 121.223 0.186 0.000 2.426 2172 L HA 0.527 4.867 4.340 0.000 0.000 0.271 2172 L C 1.394 178.338 176.870 0.124 0.000 1.169 2172 L CA 0.626 55.567 54.840 0.168 0.000 0.836 2172 L CB 0.857 43.061 42.059 0.241 0.000 1.112 2172 L HN 0.486 nan 8.230 nan 0.000 0.465 2173 T N -2.627 111.989 114.554 0.103 0.000 2.926 2173 T HA 0.236 4.586 4.350 0.000 0.000 0.289 2173 T C 0.960 175.705 174.700 0.074 0.000 1.054 2173 T CA -0.164 61.981 62.100 0.076 0.000 1.015 2173 T CB 1.596 70.499 68.868 0.058 0.000 1.167 2173 T HN 0.590 nan 8.240 nan 0.000 0.526 2174 S N 0.415 116.147 115.700 0.055 0.000 2.442 2174 S HA -0.117 4.353 4.470 0.000 0.000 0.236 2174 S C 1.858 176.488 174.600 0.049 0.000 1.007 2174 S CA 1.118 59.345 58.200 0.045 0.000 0.965 2174 S CB -0.972 62.248 63.200 0.033 0.000 0.773 2174 S HN 1.013 nan 8.310 nan 0.000 0.504 2175 S N 0.089 115.820 115.700 0.052 0.000 2.556 2175 S HA 0.165 4.635 4.470 0.000 0.000 0.216 2175 S C 0.507 175.146 174.600 0.066 0.000 0.970 2175 S CA -0.362 57.868 58.200 0.051 0.000 0.912 2175 S CB -0.626 62.596 63.200 0.037 0.000 0.790 2175 S HN 0.354 nan 8.310 nan 0.000 0.504 2176 T N 3.317 117.923 114.554 0.086 0.000 2.867 2176 T HA 0.169 4.519 4.350 0.000 0.000 0.297 2176 T C -0.257 174.528 174.700 0.142 0.000 0.989 2176 T CA 0.252 62.411 62.100 0.098 0.000 1.159 2176 T CB 0.540 69.481 68.868 0.122 0.000 0.928 2176 T HN 0.340 nan 8.240 nan 0.000 0.538 2177 K N 3.160 123.602 120.400 0.071 0.000 2.185 2177 K HA 0.439 4.759 4.320 0.000 0.000 0.269 2177 K C -0.439 176.102 176.600 -0.099 0.000 0.987 2177 K CA -0.762 55.553 56.287 0.048 0.000 0.865 2177 K CB 0.395 32.904 32.500 0.014 0.000 1.090 2177 K HN 0.357 nan 8.250 nan 0.000 0.450 2178 K N 2.182 122.428 120.400 -0.257 0.000 2.548 2178 K HA 0.154 4.474 4.320 0.000 0.000 0.282 2178 K C -1.236 175.014 176.600 -0.584 0.000 1.006 2178 K CA -1.009 54.886 56.287 -0.652 0.000 0.892 2178 K CB 1.239 32.888 32.500 -1.417 0.000 1.499 2178 K HN 0.548 nan 8.250 nan 0.000 0.433 2179 N N 1.232 119.638 118.700 -0.489 0.000 2.555 2179 N HA 0.230 4.970 4.740 0.000 0.000 0.244 2179 N C -1.447 173.908 175.510 -0.258 0.000 1.114 2179 N CA -0.030 52.870 53.050 -0.249 0.000 0.963 2179 N CB -0.305 38.089 38.487 -0.155 0.000 1.276 2179 N HN 0.230 nan 8.380 nan 0.000 0.510 2180 F N 1.654 121.604 119.950 -0.001 0.000 2.404 2180 F HA 0.636 5.163 4.527 0.000 0.000 0.339 2180 F C 0.763 176.579 175.800 0.027 0.000 1.105 2180 F CA -0.885 57.128 58.000 0.022 0.000 1.087 2180 F CB 1.446 40.451 39.000 0.008 0.000 1.143 2180 F HN 0.321 nan 8.300 nan 0.000 0.491 2181 A N 2.702 125.685 122.820 0.271 0.000 2.355 2181 A HA 0.922 5.242 4.320 0.000 0.000 0.324 2181 A C -1.383 176.287 177.584 0.142 0.000 1.117 2181 A CA -0.682 51.447 52.037 0.154 0.000 0.785 2181 A CB 1.438 20.509 19.000 0.117 0.000 1.254 2181 A HN 0.534 nan 8.150 nan 0.000 0.453 2182 V N 1.031 120.989 119.914 0.073 0.000 2.841 2182 V HA 0.590 4.710 4.120 0.000 0.000 0.310 2182 V C -0.539 175.568 176.094 0.021 0.000 1.090 2182 V CA -0.540 61.787 62.300 0.046 0.000 0.930 2182 V CB 1.823 33.643 31.823 -0.006 0.000 1.014 2182 V HN 0.976 nan 8.190 nan 0.000 0.425 2183 Q N 3.319 123.148 119.800 0.049 0.000 2.292 2183 Q HA 0.693 5.034 4.340 0.000 0.000 0.270 2183 Q C -1.879 174.156 176.000 0.059 0.000 1.024 2183 Q CA -0.491 55.331 55.803 0.031 0.000 0.768 2183 Q CB 1.977 30.755 28.738 0.066 0.000 1.250 2183 Q HN 0.790 nan 8.270 nan 0.000 0.447 2184 I N 2.945 123.510 120.570 -0.009 0.000 2.404 2184 I HA 0.439 4.609 4.170 0.000 0.000 0.293 2184 I C -1.038 175.101 176.117 0.037 0.000 0.992 2184 I CA -0.676 60.658 61.300 0.057 0.000 1.149 2184 I CB 1.996 40.014 38.000 0.030 0.000 1.315 2184 I HN 0.602 nan 8.210 nan 0.000 0.446 2185 D N 4.931 125.391 120.400 0.100 0.000 2.787 2185 D HA 0.737 5.377 4.640 0.000 0.000 0.246 2185 D C -1.022 175.328 176.300 0.082 0.000 1.150 2185 D CA -0.248 53.691 54.000 -0.102 0.000 0.864 2185 D CB 2.262 42.789 40.800 -0.455 0.000 1.481 2185 D HN 0.659 nan 8.370 nan 0.000 0.509 2186 A N 2.207 125.024 122.820 -0.004 0.000 2.437 2186 A HA 0.657 4.977 4.320 0.000 0.000 0.293 2186 A C -1.734 175.956 177.584 0.176 0.000 1.038 2186 A CA -0.603 51.509 52.037 0.124 0.000 0.708 2186 A CB 0.951 19.927 19.000 -0.040 0.000 1.251 2186 A HN 0.579 nan 8.150 nan 0.000 0.409 2187 L N 1.886 123.344 121.223 0.391 0.000 2.349 2187 L HA 0.589 4.929 4.340 0.000 0.000 0.278 2187 L C -0.131 176.903 176.870 0.273 0.000 0.996 2187 L CA -0.287 54.868 54.840 0.525 0.000 0.825 2187 L CB 1.430 43.999 42.059 0.851 0.000 1.243 2187 L HN 0.869 nan 8.230 nan 0.000 0.412 2188 E N 5.389 125.724 120.200 0.224 0.000 2.174 2188 E HA 0.497 4.847 4.350 0.000 0.000 0.282 2188 E C -1.564 175.179 176.600 0.237 0.000 0.992 2188 E CA -0.536 55.954 56.400 0.150 0.000 0.803 2188 E CB 1.126 30.929 29.700 0.171 0.000 1.090 2188 E HN 0.589 nan 8.360 nan 0.000 0.396 2189 L N 3.656 124.996 121.223 0.196 0.000 2.354 2189 L HA 0.515 4.855 4.340 0.000 0.000 0.269 2189 L C -0.821 176.098 176.870 0.083 0.000 1.005 2189 L CA -1.266 53.649 54.840 0.125 0.000 0.819 2189 L CB 2.130 44.204 42.059 0.025 0.000 1.311 2189 L HN 0.348 nan 8.230 nan 0.000 0.423 2190 V N 3.058 122.974 119.914 0.003 0.000 2.357 2190 V HA 0.439 4.559 4.120 0.000 0.000 0.284 2190 V C -0.145 175.782 176.094 -0.278 0.000 1.018 2190 V CA -0.515 61.733 62.300 -0.086 0.000 0.841 2190 V CB 1.882 33.704 31.823 -0.002 0.000 0.991 2190 V HN 0.423 nan 8.190 nan 0.000 0.437 2191 V N 4.740 124.301 119.914 -0.588 0.000 2.715 2191 V HA 0.571 4.691 4.120 0.000 0.000 0.310 2191 V C -0.152 175.511 176.094 -0.718 0.000 1.054 2191 V CA -1.029 60.792 62.300 -0.799 0.000 0.928 2191 V CB 2.012 33.026 31.823 -1.348 0.000 1.007 2191 V HN 0.822 nan 8.190 nan 0.000 0.437 2192 K N 2.325 122.449 120.400 -0.460 0.000 2.207 2192 K HA 0.450 4.770 4.320 0.000 0.000 0.255 2192 K C -0.193 176.307 176.600 -0.167 0.000 0.941 2192 K CA -0.851 55.119 56.287 -0.528 0.000 0.825 2192 K CB 1.616 33.757 32.500 -0.599 0.000 1.119 2192 K HN 0.696 nan 8.250 nan 0.000 0.430 2193 K N 1.631 121.948 120.400 -0.138 0.000 2.530 2193 K HA -0.063 4.258 4.320 0.000 0.000 0.280 2193 K C 0.477 177.078 176.600 0.001 0.000 1.004 2193 K CA 1.758 58.052 56.287 0.010 0.000 1.071 2193 K CB -0.016 32.458 32.500 -0.042 0.000 0.876 2193 K HN 0.855 nan 8.250 nan 0.000 0.487 2194 G N 3.726 112.563 108.800 0.062 0.000 2.218 2194 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 2194 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 2194 G C -0.089 174.849 174.900 0.064 0.000 0.994 2194 G CA -0.114 45.007 45.100 0.036 0.000 0.637 2194 G HN 0.653 nan 8.290 nan 0.000 0.505 2195 F N 3.227 123.170 119.950 -0.011 0.000 2.608 2195 F HA 0.510 5.037 4.527 0.000 0.000 0.380 2195 F C 0.281 176.081 175.800 0.002 0.000 1.083 2195 F CA -0.026 57.966 58.000 -0.014 0.000 1.266 2195 F CB 0.605 39.586 39.000 -0.031 0.000 1.076 2195 F HN -0.064 nan 8.300 nan 0.000 0.574 2196 K N 5.836 125.643 120.400 -0.988 0.000 2.397 2196 K HA 0.528 4.848 4.320 0.000 0.000 0.253 2196 K C -0.671 175.236 176.600 -1.155 0.000 0.932 2196 K CA -0.735 55.079 56.287 -0.787 0.000 0.795 2196 K CB 1.731 34.015 32.500 -0.360 0.000 1.159 2196 K HN 0.731 nan 8.250 nan 0.000 0.424 2197 A N 4.736 127.130 122.820 -0.710 0.000 2.546 2197 A HA 0.236 4.557 4.320 0.000 0.000 0.243 2197 A C -1.807 175.632 177.584 -0.241 0.000 1.063 2197 A CA -0.452 51.358 52.037 -0.379 0.000 0.757 2197 A CB -0.772 18.240 19.000 0.019 0.000 0.991 2197 A HN 0.409 nan 8.150 nan 0.000 0.503 2198 P HA 0.000 nan 4.420 nan 0.000 0.216 2198 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 2198 P CB 0.000 31.767 31.700 0.112 0.000 0.726