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 1omi_1_B DATA FIRST_RESID 2005 DATA SEQUENCE GSEFKKYLET NGIKPKQFHK KELIFNQWDP QEYCIFLYDG ITKLTSISEN DATA SEQUENCE GTIMNLQYYK GAFVIMSGFI DTETSVGYYN LEVISEQATA YVIKINELKE DATA SEQUENCE LLSKNLTHFF YVFQTLQKQV SYSLAKFNDF SINGKLGSIC GQLLILTYVY DATA SEQUENCE GKETPDGIKI TLDNLTMQEL GYXXXXXXSS AVSRIISKLK QEKVIVYKNS DATA SEQUENCE CFYVQNLDYL KRYAPKLDEW FYLACPATWG KLN 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2005 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2005 G C 0.000 175.052 174.900 0.253 0.000 0.946 2005 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 2006 S N 1.136 116.955 115.700 0.198 0.000 2.406 2006 S HA 0.032 4.502 4.470 -0.000 0.000 0.228 2006 S C 1.737 176.405 174.600 0.113 0.000 1.020 2006 S CA 1.434 59.787 58.200 0.254 0.000 0.965 2006 S CB -0.050 63.263 63.200 0.187 0.000 0.798 2006 S HN 0.257 nan 8.310 nan 0.000 0.488 2007 E N 0.886 121.113 120.200 0.046 0.000 2.107 2007 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 2007 E C 1.601 178.155 176.600 -0.078 0.000 0.982 2007 E CA 0.562 56.982 56.400 0.033 0.000 0.809 2007 E CB -0.408 29.352 29.700 0.101 0.000 0.756 2007 E HN 0.604 nan 8.360 nan 0.000 0.459 2008 F N 2.263 121.968 119.950 -0.409 0.000 2.293 2008 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 2008 F C 2.113 177.575 175.800 -0.564 0.000 1.086 2008 F CA 1.039 58.620 58.000 -0.697 0.000 1.375 2008 F CB 0.109 38.590 39.000 -0.865 0.000 1.045 2008 F HN -0.149 nan 8.300 nan 0.000 0.516 2009 K N 0.972 121.178 120.400 -0.324 0.000 2.103 2009 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 2009 K C 1.972 178.309 176.600 -0.437 0.000 1.052 2009 K CA 1.239 57.251 56.287 -0.458 0.000 0.945 2009 K CB -0.126 32.173 32.500 -0.336 0.000 0.722 2009 K HN 0.288 nan 8.250 nan 0.000 0.443 2010 K N -0.524 119.737 120.400 -0.232 0.000 2.001 2010 K HA -0.176 4.143 4.320 -0.000 0.000 0.208 2010 K C 2.213 178.724 176.600 -0.148 0.000 1.048 2010 K CA 1.433 57.636 56.287 -0.139 0.000 0.932 2010 K CB -0.460 32.017 32.500 -0.039 0.000 0.715 2010 K HN 0.087 nan 8.250 nan 0.000 0.437 2011 Y N 1.833 121.940 120.300 -0.322 0.000 2.151 2011 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 2011 Y C 1.892 177.562 175.900 -0.384 0.000 1.166 2011 Y CA 1.209 59.115 58.100 -0.324 0.000 1.163 2011 Y CB -0.256 37.911 38.460 -0.489 0.000 0.974 2011 Y HN -0.075 nan 8.280 nan 0.000 0.511 2012 L N 0.551 121.409 121.223 -0.608 0.000 1.988 2012 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 2012 L C 2.350 178.991 176.870 -0.382 0.000 1.071 2012 L CA 1.960 56.411 54.840 -0.648 0.000 0.744 2012 L CB -1.223 40.323 42.059 -0.855 0.000 0.893 2012 L HN 0.250 nan 8.230 nan 0.000 0.433 2013 E N -1.427 118.602 120.200 -0.284 0.000 2.209 2013 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 2013 E C 1.898 178.420 176.600 -0.131 0.000 0.993 2013 E CA 1.501 57.833 56.400 -0.114 0.000 0.819 2013 E CB -0.079 29.585 29.700 -0.059 0.000 0.745 2013 E HN 0.520 nan 8.360 nan 0.000 0.477 2014 T N 1.352 115.797 114.554 -0.182 0.000 2.643 2014 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 2014 T C 1.183 175.779 174.700 -0.174 0.000 1.045 2014 T CA 1.488 63.499 62.100 -0.149 0.000 1.155 2014 T CB -0.318 68.469 68.868 -0.135 0.000 0.863 2014 T HN 0.148 nan 8.240 nan 0.000 0.420 2015 N N 1.069 119.597 118.700 -0.286 0.000 2.471 2015 N HA 0.340 5.080 4.740 -0.000 0.000 0.205 2015 N C 0.551 175.962 175.510 -0.164 0.000 1.251 2015 N CA 0.262 53.166 53.050 -0.244 0.000 0.843 2015 N CB -0.225 38.047 38.487 -0.358 0.000 1.044 2015 N HN 0.502 nan 8.380 nan 0.000 0.461 2016 G N 1.012 109.736 108.800 -0.127 0.000 2.460 2016 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.259 2016 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.259 2016 G C -0.060 174.808 174.900 -0.054 0.000 0.959 2016 G CA -0.336 44.719 45.100 -0.074 0.000 1.330 2016 G HN 0.441 nan 8.290 nan 0.000 0.451 2017 I N 1.741 122.299 120.570 -0.021 0.000 2.913 2017 I HA 0.111 4.280 4.170 -0.000 0.000 0.334 2017 I C 0.375 176.574 176.117 0.137 0.000 1.449 2017 I CA -1.004 60.327 61.300 0.053 0.000 0.867 2017 I CB 0.447 38.475 38.000 0.046 0.000 1.918 2017 I HN 0.086 nan 8.210 nan 0.000 0.556 2018 K N 3.908 124.332 120.400 0.041 0.000 2.476 2018 K HA -0.006 4.314 4.320 -0.000 0.000 0.273 2018 K C -2.085 174.411 176.600 -0.173 0.000 1.056 2018 K CA -0.594 55.680 56.287 -0.021 0.000 1.150 2018 K CB -0.163 32.310 32.500 -0.045 0.000 0.838 2018 K HN 0.191 nan 8.250 nan 0.000 0.486 2019 P HA 0.088 nan 4.420 nan 0.000 0.270 2019 P C -0.730 176.331 177.300 -0.397 0.000 1.223 2019 P CA -0.193 62.414 63.100 -0.820 0.000 0.785 2019 P CB 0.657 31.688 31.700 -1.114 0.000 0.923 2020 K N 0.777 120.972 120.400 -0.342 0.000 2.267 2020 K HA 0.489 4.809 4.320 -0.000 0.000 0.246 2020 K C -0.221 176.171 176.600 -0.348 0.000 0.954 2020 K CA -0.753 55.317 56.287 -0.362 0.000 0.824 2020 K CB 1.036 33.230 32.500 -0.510 0.000 1.167 2020 K HN 0.234 nan 8.250 nan 0.000 0.431 2021 Q N 1.751 121.311 119.800 -0.400 0.000 2.347 2021 Q HA 0.466 4.806 4.340 -0.000 0.000 0.262 2021 Q C -1.601 174.152 176.000 -0.412 0.000 0.980 2021 Q CA -0.191 55.443 55.803 -0.283 0.000 0.867 2021 Q CB 0.453 29.072 28.738 -0.198 0.000 1.242 2021 Q HN 0.462 nan 8.270 nan 0.000 0.453 2022 F N 2.021 121.858 119.950 -0.188 0.000 2.458 2022 F HA 0.464 4.991 4.527 -0.000 0.000 0.330 2022 F C 0.135 175.765 175.800 -0.284 0.000 1.082 2022 F CA -0.637 57.277 58.000 -0.143 0.000 0.995 2022 F CB 1.445 40.393 39.000 -0.087 0.000 1.170 2022 F HN 0.586 nan 8.300 nan 0.000 0.478 2023 H N -0.120 119.053 119.070 0.171 0.000 2.567 2023 H HA 0.298 4.854 4.556 0.000 0.000 0.345 2023 H C -0.437 174.936 175.328 0.075 0.000 1.169 2023 H CA -1.153 54.949 56.048 0.090 0.000 1.227 2023 H CB 1.094 30.885 29.762 0.048 0.000 1.607 2023 H HN 0.426 nan 8.280 nan 0.000 0.534 2024 K N 1.588 122.081 120.400 0.156 0.000 2.550 2024 K HA -0.186 4.134 4.320 -0.000 0.000 0.280 2024 K C 0.026 176.671 176.600 0.074 0.000 0.987 2024 K CA 0.481 56.819 56.287 0.085 0.000 1.048 2024 K CB 0.179 32.719 32.500 0.067 0.000 0.879 2024 K HN 0.674 nan 8.250 nan 0.000 0.491 2025 K N 0.367 120.789 120.400 0.037 0.000 3.609 2025 K HA -0.177 4.143 4.320 -0.000 0.000 0.277 2025 K C -0.551 176.061 176.600 0.019 0.000 1.196 2025 K CA 1.465 57.765 56.287 0.022 0.000 1.022 2025 K CB -0.982 31.535 32.500 0.030 0.000 1.292 2025 K HN 0.807 nan 8.250 nan 0.000 0.484 2026 E N 0.919 121.146 120.200 0.046 0.000 2.373 2026 E HA 0.285 4.635 4.350 -0.000 0.000 0.263 2026 E C 0.157 176.731 176.600 -0.044 0.000 1.073 2026 E CA -0.211 56.222 56.400 0.055 0.000 0.894 2026 E CB 0.552 30.358 29.700 0.176 0.000 1.008 2026 E HN 0.101 nan 8.360 nan 0.000 0.420 2027 L N 3.430 124.621 121.223 -0.054 0.000 2.272 2027 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 2027 L C 1.192 177.907 176.870 -0.259 0.000 1.032 2027 L CA -0.365 54.367 54.840 -0.181 0.000 0.810 2027 L CB 0.902 42.890 42.059 -0.120 0.000 1.205 2027 L HN 0.606 nan 8.230 nan 0.000 0.422 2028 I N 3.215 123.453 120.570 -0.553 0.000 2.493 2028 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 2028 I C 0.104 176.015 176.117 -0.343 0.000 1.160 2028 I CA 1.229 62.067 61.300 -0.770 0.000 1.445 2028 I CB 0.091 37.530 38.000 -0.935 0.000 1.086 2028 I HN 0.539 nan 8.210 nan 0.000 0.433 2029 F N 0.035 119.815 119.950 -0.284 0.000 2.708 2029 F HA 0.405 4.932 4.527 -0.000 0.000 0.309 2029 F C -1.160 174.574 175.800 -0.109 0.000 1.120 2029 F CA -1.945 55.924 58.000 -0.219 0.000 0.978 2029 F CB 0.115 38.925 39.000 -0.316 0.000 1.283 2029 F HN -0.066 nan 8.300 nan 0.000 0.439 2030 N N 0.740 119.607 118.700 0.279 0.000 2.619 2030 N HA 0.386 5.126 4.740 -0.000 0.000 0.294 2030 N C 0.215 175.799 175.510 0.123 0.000 1.279 2030 N CA -0.758 52.371 53.050 0.131 0.000 0.867 2030 N CB 1.007 39.526 38.487 0.052 0.000 1.329 2030 N HN 0.754 nan 8.380 nan 0.000 0.557 2031 Q N -0.913 118.788 119.800 -0.165 0.000 2.112 2031 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 2031 Q C 0.420 176.213 176.000 -0.344 0.000 0.987 2031 Q CA 1.994 57.545 55.803 -0.420 0.000 0.858 2031 Q CB -0.225 27.912 28.738 -1.001 0.000 0.905 2031 Q HN 0.726 nan 8.270 nan 0.000 0.420 2032 W N 0.847 122.248 121.300 0.167 0.000 3.256 2032 W HA 0.103 4.763 4.660 -0.000 0.000 0.269 2032 W C 0.392 176.965 176.519 0.091 0.000 1.310 2032 W CA -0.985 56.442 57.345 0.138 0.000 1.673 2032 W CB 0.335 29.872 29.460 0.127 0.000 1.115 2032 W HN -0.053 nan 8.180 nan 0.000 0.686 2033 D N 2.867 123.406 120.400 0.232 0.000 2.401 2033 D HA -0.026 4.614 4.640 -0.000 0.000 0.254 2033 D C -0.845 175.511 176.300 0.093 0.000 1.192 2033 D CA -0.782 53.336 54.000 0.198 0.000 0.885 2033 D CB 1.460 42.422 40.800 0.271 0.000 1.147 2033 D HN 0.023 nan 8.370 nan 0.000 0.478 2034 P HA -0.063 nan 4.420 nan 0.000 0.237 2034 P C 0.245 177.491 177.300 -0.090 0.000 1.178 2034 P CA 0.337 63.438 63.100 0.002 0.000 0.766 2034 P CB 0.516 32.232 31.700 0.026 0.000 0.876 2035 Q N 1.256 120.972 119.800 -0.140 0.000 2.256 2035 Q HA 0.247 4.587 4.340 -0.000 0.000 0.254 2035 Q C -0.807 174.820 176.000 -0.622 0.000 0.916 2035 Q CA -0.147 55.428 55.803 -0.382 0.000 0.932 2035 Q CB 0.767 29.216 28.738 -0.482 0.000 1.207 2035 Q HN -0.093 nan 8.270 nan 0.000 0.426 2036 E N 2.787 122.658 120.200 -0.547 0.000 2.197 2036 E HA 0.379 4.729 4.350 -0.000 0.000 0.281 2036 E C -1.167 175.103 176.600 -0.551 0.000 0.995 2036 E CA -0.111 56.011 56.400 -0.464 0.000 0.808 2036 E CB 0.747 30.281 29.700 -0.277 0.000 1.093 2036 E HN 0.464 nan 8.360 nan 0.000 0.394 2037 Y N 0.090 120.253 120.300 -0.227 0.000 2.630 2037 Y HA 0.531 5.080 4.550 -0.000 0.000 0.337 2037 Y C -0.279 175.571 175.900 -0.082 0.000 1.051 2037 Y CA -1.436 56.593 58.100 -0.118 0.000 1.121 2037 Y CB 1.273 39.689 38.460 -0.074 0.000 1.299 2037 Y HN 0.490 nan 8.280 nan 0.000 0.498 2038 C N 3.708 123.126 119.300 0.197 0.000 2.301 2038 C HA 0.718 5.178 4.460 -0.000 0.000 0.323 2038 C C -1.142 173.990 174.990 0.238 0.000 1.265 2038 C CA -0.633 58.483 59.018 0.164 0.000 1.503 2038 C CB -1.417 26.414 27.740 0.151 0.000 2.195 2038 C HN 0.559 nan 8.230 nan 0.000 0.477 2039 I N 6.600 127.307 120.570 0.229 0.000 2.330 2039 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 2039 I C -0.284 176.035 176.117 0.337 0.000 1.001 2039 I CA -0.514 60.933 61.300 0.244 0.000 1.193 2039 I CB 0.855 38.949 38.000 0.157 0.000 1.345 2039 I HN 0.639 nan 8.210 nan 0.000 0.461 2040 F N 8.407 128.512 119.950 0.258 0.000 2.384 2040 F HA 0.343 4.870 4.527 -0.000 0.000 0.359 2040 F C -0.151 175.870 175.800 0.368 0.000 1.143 2040 F CA -1.162 57.036 58.000 0.331 0.000 1.216 2040 F CB 0.588 39.788 39.000 0.332 0.000 1.512 2040 F HN 0.308 nan 8.300 nan 0.000 0.573 2041 L N 6.977 128.192 121.223 -0.013 0.000 2.515 2041 L HA 0.040 4.380 4.340 -0.000 0.000 0.281 2041 L C 0.149 176.884 176.870 -0.225 0.000 1.131 2041 L CA 0.479 55.290 54.840 -0.048 0.000 0.905 2041 L CB -0.281 41.780 42.059 0.004 0.000 1.246 2041 L HN 0.693 nan 8.230 nan 0.000 0.463 2042 Y N 3.460 123.605 120.300 -0.258 0.000 2.397 2042 Y HA 0.173 4.723 4.550 -0.000 0.000 0.292 2042 Y C 0.554 176.427 175.900 -0.045 0.000 1.115 2042 Y CA 0.674 58.629 58.100 -0.242 0.000 1.208 2042 Y CB 0.471 38.960 38.460 0.048 0.000 1.046 2042 Y HN 0.712 nan 8.280 nan 0.000 0.552 2043 D N -0.587 119.816 120.400 0.005 0.000 2.837 2043 D HA 0.443 5.083 4.640 -0.000 0.000 0.220 2043 D C -0.509 175.807 176.300 0.027 0.000 1.236 2043 D CA 0.672 54.652 54.000 -0.033 0.000 0.838 2043 D CB 1.846 42.654 40.800 0.013 0.000 1.647 2043 D HN 0.437 nan 8.370 nan 0.000 0.486 2044 G N 1.360 110.179 108.800 0.031 0.000 2.384 2044 G HA2 0.051 4.011 3.960 -0.000 0.000 0.668 2044 G HA3 0.051 4.011 3.960 -0.000 0.000 0.668 2044 G C -1.411 173.527 174.900 0.063 0.000 1.280 2044 G CA -0.528 44.598 45.100 0.044 0.000 0.992 2044 G HN 0.548 nan 8.290 nan 0.000 0.512 2045 I N 1.161 121.763 120.570 0.053 0.000 2.545 2045 I HA 0.701 4.871 4.170 -0.000 0.000 0.292 2045 I C 0.520 176.673 176.117 0.059 0.000 1.040 2045 I CA -0.358 60.985 61.300 0.071 0.000 1.068 2045 I CB 2.591 40.620 38.000 0.048 0.000 1.251 2045 I HN 1.054 nan 8.210 nan 0.000 0.424 2046 T N 1.924 116.536 114.554 0.097 0.000 2.841 2046 T HA 0.684 5.034 4.350 -0.000 0.000 0.296 2046 T C -1.157 173.614 174.700 0.119 0.000 1.166 2046 T CA -1.019 61.119 62.100 0.063 0.000 1.007 2046 T CB 2.343 71.207 68.868 -0.007 0.000 1.253 2046 T HN 0.680 nan 8.240 nan 0.000 0.511 2047 K N 1.097 121.503 120.400 0.009 0.000 2.482 2047 K HA 0.617 4.937 4.320 -0.000 0.000 0.251 2047 K C -1.189 175.306 176.600 -0.176 0.000 0.936 2047 K CA -1.099 55.097 56.287 -0.151 0.000 0.791 2047 K CB 2.224 34.586 32.500 -0.230 0.000 1.213 2047 K HN 0.621 nan 8.250 nan 0.000 0.428 2048 L N 3.941 125.050 121.223 -0.190 0.000 2.319 2048 L HA 0.304 4.643 4.340 -0.000 0.000 0.280 2048 L C -0.461 176.300 176.870 -0.181 0.000 1.099 2048 L CA 0.357 55.112 54.840 -0.142 0.000 0.828 2048 L CB 1.091 43.093 42.059 -0.096 0.000 1.150 2048 L HN 1.108 nan 8.230 nan 0.000 0.442 2049 T N 0.790 115.285 114.554 -0.098 0.000 2.901 2049 T HA 0.576 4.926 4.350 -0.000 0.000 0.293 2049 T C -0.650 174.081 174.700 0.051 0.000 1.084 2049 T CA -0.724 61.342 62.100 -0.057 0.000 1.008 2049 T CB 2.046 70.865 68.868 -0.082 0.000 1.170 2049 T HN 0.510 nan 8.240 nan 0.000 0.509 2050 S N 0.663 116.386 115.700 0.038 0.000 2.536 2050 S HA 0.594 5.064 4.470 -0.000 0.000 0.271 2050 S C -1.227 173.372 174.600 -0.002 0.000 1.134 2050 S CA -0.947 57.279 58.200 0.044 0.000 0.897 2050 S CB 0.739 63.997 63.200 0.097 0.000 1.094 2050 S HN 0.719 nan 8.310 nan 0.000 0.473 2051 I N 4.685 125.241 120.570 -0.023 0.000 2.352 2051 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 2051 I C 1.288 177.402 176.117 -0.004 0.000 1.036 2051 I CA -0.228 61.066 61.300 -0.010 0.000 1.336 2051 I CB 0.490 38.492 38.000 0.005 0.000 1.407 2051 I HN 0.822 nan 8.210 nan 0.000 0.497 2052 S N 4.978 120.678 115.700 0.001 0.000 2.587 2052 S HA 0.028 4.498 4.470 -0.000 0.000 0.260 2052 S C 1.095 175.700 174.600 0.008 0.000 1.353 2052 S CA -0.221 57.980 58.200 0.001 0.000 0.995 2052 S CB 1.051 64.252 63.200 0.001 0.000 0.912 2052 S HN 0.712 nan 8.310 nan 0.000 0.568 2053 E N 1.033 121.236 120.200 0.005 0.000 2.265 2053 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 2053 E C 0.952 177.562 176.600 0.016 0.000 0.996 2053 E CA 1.501 57.907 56.400 0.010 0.000 0.832 2053 E CB -0.419 29.283 29.700 0.003 0.000 0.756 2053 E HN 0.905 nan 8.360 nan 0.000 0.491 2054 N N -1.449 117.259 118.700 0.013 0.000 2.295 2054 N HA 0.129 4.869 4.740 -0.000 0.000 0.221 2054 N C 0.906 176.427 175.510 0.018 0.000 1.129 2054 N CA 0.634 53.693 53.050 0.014 0.000 0.836 2054 N CB 0.920 39.413 38.487 0.010 0.000 1.040 2054 N HN 0.128 nan 8.380 nan 0.000 0.494 2055 G N -1.060 107.754 108.800 0.025 0.000 2.217 2055 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 2055 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 2055 G C 0.168 175.080 174.900 0.019 0.000 0.990 2055 G CA 0.348 45.465 45.100 0.029 0.000 0.627 2055 G HN 0.442 nan 8.290 nan 0.000 0.522 2056 T N 1.853 116.414 114.554 0.011 0.000 2.902 2056 T HA 0.449 4.799 4.350 -0.000 0.000 0.301 2056 T C 0.568 175.267 174.700 -0.000 0.000 1.012 2056 T CA 0.239 62.341 62.100 0.004 0.000 1.151 2056 T CB 1.317 70.185 68.868 0.001 0.000 0.946 2056 T HN 0.268 nan 8.240 nan 0.000 0.542 2057 I N 3.543 124.110 120.570 -0.005 0.000 2.441 2057 I HA 0.246 4.416 4.170 -0.000 0.000 0.287 2057 I C 0.196 176.299 176.117 -0.022 0.000 1.049 2057 I CA -0.010 61.282 61.300 -0.014 0.000 1.381 2057 I CB 0.926 38.915 38.000 -0.018 0.000 1.409 2057 I HN 0.495 nan 8.210 nan 0.000 0.523 2058 M N 6.420 126.003 119.600 -0.028 0.000 2.072 2058 M HA 0.332 4.811 4.480 -0.000 0.000 0.331 2058 M C -0.343 175.913 176.300 -0.073 0.000 1.004 2058 M CA -0.092 55.185 55.300 -0.038 0.000 0.952 2058 M CB 0.511 33.099 32.600 -0.020 0.000 1.511 2058 M HN 0.368 nan 8.290 nan 0.000 0.422 2059 N N 4.635 123.272 118.700 -0.104 0.000 2.402 2059 N HA 0.184 4.924 4.740 -0.000 0.000 0.252 2059 N C 0.512 175.879 175.510 -0.238 0.000 1.118 2059 N CA -0.170 52.754 53.050 -0.209 0.000 0.945 2059 N CB 1.001 39.368 38.487 -0.200 0.000 1.147 2059 N HN 0.641 nan 8.380 nan 0.000 0.495 2060 L N 1.243 122.315 121.223 -0.251 0.000 2.202 2060 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 2060 L C 0.692 177.374 176.870 -0.314 0.000 1.083 2060 L CA 0.730 55.441 54.840 -0.214 0.000 0.790 2060 L CB 0.097 42.075 42.059 -0.136 0.000 0.942 2060 L HN 0.539 nan 8.230 nan 0.000 0.452 2061 Q N -1.629 117.873 119.800 -0.497 0.000 2.522 2061 Q HA 0.395 4.735 4.340 -0.000 0.000 0.285 2061 Q C -1.937 173.510 176.000 -0.922 0.000 0.982 2061 Q CA -0.531 54.894 55.803 -0.630 0.000 0.805 2061 Q CB 1.721 30.094 28.738 -0.609 0.000 1.457 2061 Q HN -0.023 nan 8.270 nan 0.000 0.394 2062 Y N 0.793 120.723 120.300 -0.617 0.000 2.446 2062 Y HA 0.660 5.210 4.550 -0.000 0.000 0.345 2062 Y C -1.125 174.299 175.900 -0.794 0.000 0.984 2062 Y CA -0.470 57.328 58.100 -0.503 0.000 1.058 2062 Y CB 1.841 40.150 38.460 -0.253 0.000 1.220 2062 Y HN 0.535 nan 8.280 nan 0.000 0.455 2063 Y N 1.231 121.491 120.300 -0.067 0.000 2.442 2063 Y HA 0.479 5.029 4.550 -0.000 0.000 0.344 2063 Y C -0.205 175.652 175.900 -0.073 0.000 0.976 2063 Y CA -1.222 56.758 58.100 -0.201 0.000 1.040 2063 Y CB 2.156 40.490 38.460 -0.210 0.000 1.228 2063 Y HN 0.377 nan 8.280 nan 0.000 0.451 2064 K N 1.147 121.591 120.400 0.073 0.000 2.221 2064 K HA 0.642 4.962 4.320 -0.000 0.000 0.243 2064 K C 0.324 176.989 176.600 0.108 0.000 0.968 2064 K CA -0.839 55.514 56.287 0.110 0.000 0.846 2064 K CB 1.370 33.942 32.500 0.120 0.000 1.141 2064 K HN 0.911 nan 8.250 nan 0.000 0.434 2065 G N 0.608 109.450 108.800 0.071 0.000 2.341 2065 G HA2 0.211 4.171 3.960 -0.000 0.000 0.231 2065 G HA3 0.211 4.171 3.960 -0.000 0.000 0.231 2065 G C 0.238 175.148 174.900 0.016 0.000 1.206 2065 G CA 0.669 45.767 45.100 -0.003 0.000 0.865 2065 G HN 1.174 nan 8.290 nan 0.000 0.515 2066 A N 0.340 123.128 122.820 -0.053 0.000 3.201 2066 A HA 0.020 4.340 4.320 -0.000 0.000 0.268 2066 A C -0.172 177.601 177.584 0.314 0.000 1.372 2066 A CA 0.791 52.869 52.037 0.068 0.000 0.753 2066 A CB -1.810 17.259 19.000 0.115 0.000 1.029 2066 A HN 1.762 nan 8.150 nan 0.000 0.498 2067 F N -1.580 118.388 119.950 0.029 0.000 2.645 2067 F HA 0.637 5.164 4.527 -0.000 0.000 0.310 2067 F C -0.178 175.733 175.800 0.184 0.000 1.102 2067 F CA -0.595 57.483 58.000 0.131 0.000 0.952 2067 F CB 1.820 40.877 39.000 0.095 0.000 1.326 2067 F HN 0.184 nan 8.300 nan 0.000 0.456 2068 V N 4.546 124.449 119.914 -0.019 0.000 2.459 2068 V HA 0.542 4.662 4.120 -0.000 0.000 0.295 2068 V C -0.569 175.574 176.094 0.082 0.000 1.029 2068 V CA -0.573 61.804 62.300 0.128 0.000 0.874 2068 V CB 1.742 33.559 31.823 -0.011 0.000 0.985 2068 V HN 0.459 nan 8.190 nan 0.000 0.438 2069 I N 5.568 126.172 120.570 0.057 0.000 2.468 2069 I HA 0.488 4.658 4.170 -0.000 0.000 0.285 2069 I C -0.538 175.600 176.117 0.035 0.000 1.039 2069 I CA -0.253 61.015 61.300 -0.054 0.000 1.074 2069 I CB 1.793 39.642 38.000 -0.252 0.000 1.228 2069 I HN 0.416 nan 8.210 nan 0.000 0.436 2070 M N 4.160 123.759 119.600 -0.002 0.000 2.364 2070 M HA 0.293 4.773 4.480 -0.000 0.000 0.334 2070 M C 0.705 176.941 176.300 -0.107 0.000 1.107 2070 M CA -0.424 54.857 55.300 -0.033 0.000 0.988 2070 M CB 2.189 34.763 32.600 -0.042 0.000 1.673 2070 M HN 0.641 nan 8.290 nan 0.000 0.441 2071 S N 0.224 115.803 115.700 -0.202 0.000 2.577 2071 S HA 0.418 4.888 4.470 -0.000 0.000 0.219 2071 S C 0.360 174.775 174.600 -0.308 0.000 0.962 2071 S CA -0.220 57.806 58.200 -0.290 0.000 0.921 2071 S CB -0.004 62.831 63.200 -0.607 0.000 0.789 2071 S HN 0.880 nan 8.310 nan 0.000 0.497 2072 G N 0.272 108.899 108.800 -0.288 0.000 2.696 2072 G HA2 0.600 4.560 3.960 -0.000 0.000 0.295 2072 G HA3 0.600 4.560 3.960 -0.000 0.000 0.295 2072 G C -1.160 173.580 174.900 -0.267 0.000 1.398 2072 G CA -0.994 43.921 45.100 -0.308 0.000 0.920 2072 G HN 0.239 nan 8.290 nan 0.000 0.492 2073 F N 1.098 121.032 119.950 -0.026 0.000 2.456 2073 F HA 0.206 4.733 4.527 -0.000 0.000 0.358 2073 F C 1.872 177.665 175.800 -0.010 0.000 1.095 2073 F CA -0.763 57.232 58.000 -0.008 0.000 1.216 2073 F CB 1.270 40.270 39.000 -0.001 0.000 1.125 2073 F HN 0.406 nan 8.300 nan 0.000 0.549 2074 I N -1.139 119.535 120.570 0.174 0.000 2.614 2074 I HA -0.126 4.044 4.170 -0.000 0.000 0.258 2074 I C 1.565 177.740 176.117 0.097 0.000 1.189 2074 I CA 0.963 62.318 61.300 0.091 0.000 1.462 2074 I CB -0.928 37.105 38.000 0.055 0.000 1.092 2074 I HN 0.502 nan 8.210 nan 0.000 0.442 2075 D N 1.745 122.225 120.400 0.133 0.000 2.088 2075 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 2075 D C 2.121 178.459 176.300 0.064 0.000 0.983 2075 D CA 2.689 56.739 54.000 0.084 0.000 0.846 2075 D CB -0.202 40.626 40.800 0.047 0.000 0.992 2075 D HN 0.498 nan 8.370 nan 0.000 0.448 2076 T N -2.420 112.181 114.554 0.077 0.000 3.122 2076 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 2076 T C 0.272 175.017 174.700 0.075 0.000 1.067 2076 T CA 0.249 62.385 62.100 0.059 0.000 0.966 2076 T CB -0.221 68.667 68.868 0.034 0.000 1.002 2076 T HN 0.333 nan 8.240 nan 0.000 0.542 2077 E N 0.607 120.861 120.200 0.091 0.000 2.539 2077 E HA -0.167 4.183 4.350 -0.000 0.000 0.253 2077 E C -0.498 176.120 176.600 0.031 0.000 1.145 2077 E CA 0.582 57.005 56.400 0.037 0.000 0.738 2077 E CB -2.309 27.388 29.700 -0.004 0.000 1.308 2077 E HN 0.530 nan 8.360 nan 0.000 0.409 2078 T N 0.230 114.858 114.554 0.123 0.000 2.934 2078 T HA 0.309 4.659 4.350 -0.000 0.000 0.283 2078 T C 0.170 174.899 174.700 0.048 0.000 1.005 2078 T CA -0.361 61.809 62.100 0.117 0.000 1.041 2078 T CB 1.834 70.827 68.868 0.207 0.000 1.042 2078 T HN 0.158 nan 8.240 nan 0.000 0.505 2079 S N 0.562 116.236 115.700 -0.043 0.000 2.563 2079 S HA 0.080 4.550 4.470 -0.000 0.000 0.284 2079 S C 1.073 175.544 174.600 -0.215 0.000 1.331 2079 S CA -0.525 57.566 58.200 -0.181 0.000 1.047 2079 S CB 0.219 63.277 63.200 -0.237 0.000 0.859 2079 S HN 0.456 nan 8.310 nan 0.000 0.514 2080 V N 3.411 123.094 119.914 -0.385 0.000 3.565 2080 V HA 0.432 4.552 4.120 -0.000 0.000 0.260 2080 V C 1.066 177.082 176.094 -0.130 0.000 1.231 2080 V CA 0.985 63.013 62.300 -0.453 0.000 1.100 2080 V CB -0.254 31.236 31.823 -0.554 0.000 0.807 2080 V HN 1.060 nan 8.190 nan 0.000 0.454 2081 G N -1.520 107.129 108.800 -0.252 0.000 2.320 2081 G HA2 0.296 4.256 3.960 -0.000 0.000 0.297 2081 G HA3 0.296 4.256 3.960 -0.000 0.000 0.297 2081 G C -1.972 172.501 174.900 -0.713 0.000 1.344 2081 G CA -0.735 44.069 45.100 -0.492 0.000 0.851 2081 G HN -0.152 nan 8.290 nan 0.000 0.567 2082 Y N 1.334 121.184 120.300 -0.751 0.000 2.700 2082 Y HA 0.604 5.154 4.550 -0.000 0.000 0.333 2082 Y C -0.075 175.519 175.900 -0.510 0.000 1.036 2082 Y CA -0.160 57.636 58.100 -0.506 0.000 1.287 2082 Y CB 0.243 38.473 38.460 -0.384 0.000 1.132 2082 Y HN 0.430 nan 8.280 nan 0.000 0.510 2083 Y N 0.308 120.626 120.300 0.030 0.000 2.633 2083 Y HA 0.511 5.061 4.550 -0.000 0.000 0.339 2083 Y C -0.108 175.865 175.900 0.122 0.000 1.045 2083 Y CA -1.486 56.659 58.100 0.075 0.000 1.098 2083 Y CB 1.633 40.170 38.460 0.129 0.000 1.296 2083 Y HN 0.281 nan 8.280 nan 0.000 0.494 2084 N N 1.465 120.243 118.700 0.131 0.000 2.296 2084 N HA 0.316 5.056 4.740 -0.000 0.000 0.294 2084 N C -1.988 173.272 175.510 -0.416 0.000 1.033 2084 N CA -0.596 52.366 53.050 -0.147 0.000 0.839 2084 N CB 2.712 41.123 38.487 -0.126 0.000 1.395 2084 N HN 0.422 nan 8.380 nan 0.000 0.479 2085 L N 1.768 122.427 121.223 -0.940 0.000 2.283 2085 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 2085 L C 0.210 176.764 176.870 -0.527 0.000 1.033 2085 L CA -0.204 54.150 54.840 -0.810 0.000 0.848 2085 L CB 0.204 41.497 42.059 -1.277 0.000 1.226 2085 L HN 0.507 nan 8.230 nan 0.000 0.429 2086 E N 3.572 123.587 120.200 -0.308 0.000 2.191 2086 E HA 0.382 4.732 4.350 -0.000 0.000 0.278 2086 E C -1.100 175.413 176.600 -0.145 0.000 0.972 2086 E CA -0.804 55.473 56.400 -0.205 0.000 0.804 2086 E CB 1.657 31.280 29.700 -0.128 0.000 1.110 2086 E HN 0.409 nan 8.360 nan 0.000 0.394 2087 V N 6.345 126.184 119.914 -0.126 0.000 2.637 2087 V HA 0.043 4.162 4.120 -0.000 0.000 0.296 2087 V C 1.126 177.210 176.094 -0.016 0.000 1.046 2087 V CA 0.461 62.721 62.300 -0.067 0.000 1.066 2087 V CB 0.992 32.791 31.823 -0.040 0.000 0.968 2087 V HN 0.785 nan 8.190 nan 0.000 0.483 2088 I N 2.269 122.842 120.570 0.005 0.000 4.032 2088 I HA 0.050 4.220 4.170 -0.000 0.000 0.313 2088 I C 1.315 177.434 176.117 0.002 0.000 1.272 2088 I CA 0.359 61.668 61.300 0.016 0.000 1.307 2088 I CB 0.591 38.618 38.000 0.045 0.000 1.155 2088 I HN 0.751 nan 8.210 nan 0.000 0.431 2089 S N 0.464 116.166 115.700 0.003 0.000 2.645 2089 S HA 0.175 4.645 4.470 -0.000 0.000 0.266 2089 S C 1.116 175.722 174.600 0.010 0.000 1.258 2089 S CA -0.603 57.595 58.200 -0.003 0.000 0.990 2089 S CB 1.038 64.240 63.200 0.003 0.000 0.967 2089 S HN 0.066 nan 8.310 nan 0.000 0.556 2090 E N 0.469 120.677 120.200 0.012 0.000 2.130 2090 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 2090 E C 0.576 177.193 176.600 0.028 0.000 0.998 2090 E CA 1.430 57.851 56.400 0.034 0.000 0.806 2090 E CB -0.195 29.525 29.700 0.035 0.000 0.738 2090 E HN 0.706 nan 8.360 nan 0.000 0.459 2091 Q N -2.056 117.735 119.800 -0.016 0.000 2.648 2091 Q HA 0.674 5.014 4.340 -0.000 0.000 0.300 2091 Q C -1.714 174.265 176.000 -0.035 0.000 0.954 2091 Q CA -0.606 55.139 55.803 -0.096 0.000 0.757 2091 Q CB 2.782 31.422 28.738 -0.162 0.000 1.482 2091 Q HN 0.086 nan 8.270 nan 0.000 0.437 2092 A N 0.360 123.166 122.820 -0.024 0.000 2.577 2092 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 2092 A C -1.445 176.197 177.584 0.096 0.000 1.060 2092 A CA -0.439 51.625 52.037 0.044 0.000 0.697 2092 A CB 2.032 21.058 19.000 0.043 0.000 1.281 2092 A HN 0.397 nan 8.150 nan 0.000 0.402 2093 T N 1.541 116.158 114.554 0.105 0.000 2.770 2093 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 2093 T C -0.070 174.718 174.700 0.147 0.000 0.988 2093 T CA 0.401 62.566 62.100 0.108 0.000 0.957 2093 T CB 1.169 70.110 68.868 0.121 0.000 0.930 2093 T HN 1.570 nan 8.240 nan 0.000 0.443 2094 A N 3.031 125.937 122.820 0.144 0.000 2.469 2094 A HA 0.788 5.108 4.320 -0.000 0.000 0.299 2094 A C -1.828 175.791 177.584 0.058 0.000 1.098 2094 A CA -0.751 51.394 52.037 0.180 0.000 0.737 2094 A CB 1.167 20.264 19.000 0.162 0.000 1.312 2094 A HN 0.772 nan 8.150 nan 0.000 0.414 2095 Y N 1.159 121.586 120.300 0.212 0.000 2.587 2095 Y HA 0.406 4.956 4.550 0.000 0.000 0.328 2095 Y C 0.139 176.151 175.900 0.187 0.000 0.980 2095 Y CA -0.575 57.634 58.100 0.183 0.000 1.272 2095 Y CB 1.292 39.863 38.460 0.185 0.000 1.094 2095 Y HN 0.358 nan 8.280 nan 0.000 0.503 2096 V N 5.840 125.901 119.914 0.244 0.000 2.521 2096 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 2096 V C 0.218 176.454 176.094 0.237 0.000 1.034 2096 V CA -0.114 62.322 62.300 0.228 0.000 1.045 2096 V CB 0.226 32.158 31.823 0.181 0.000 0.974 2096 V HN 0.533 nan 8.190 nan 0.000 0.480 2097 I N 4.740 125.466 120.570 0.261 0.000 2.499 2097 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 2097 I C 0.103 176.324 176.117 0.174 0.000 1.048 2097 I CA -0.829 60.582 61.300 0.186 0.000 1.062 2097 I CB 1.937 40.016 38.000 0.132 0.000 1.238 2097 I HN 0.492 nan 8.210 nan 0.000 0.426 2098 K N 3.481 123.934 120.400 0.089 0.000 2.414 2098 K HA 0.079 4.399 4.320 -0.000 0.000 0.272 2098 K C 1.046 177.621 176.600 -0.041 0.000 0.993 2098 K CA -0.189 56.073 56.287 -0.042 0.000 0.964 2098 K CB 1.190 33.647 32.500 -0.073 0.000 0.925 2098 K HN 0.476 nan 8.250 nan 0.000 0.487 2099 I N 3.511 124.022 120.570 -0.098 0.000 2.118 2099 I HA -0.394 3.776 4.170 -0.000 0.000 0.241 2099 I C 1.638 177.727 176.117 -0.047 0.000 1.070 2099 I CA 2.093 63.353 61.300 -0.066 0.000 1.327 2099 I CB -0.419 37.523 38.000 -0.095 0.000 1.034 2099 I HN 0.777 nan 8.210 nan 0.000 0.405 2100 N N 0.088 118.756 118.700 -0.054 0.000 2.166 2100 N HA -0.218 4.522 4.740 -0.000 0.000 0.186 2100 N C 1.648 177.136 175.510 -0.036 0.000 1.019 2100 N CA 1.729 54.755 53.050 -0.041 0.000 0.856 2100 N CB -0.709 37.754 38.487 -0.040 0.000 0.993 2100 N HN 0.522 nan 8.380 nan 0.000 0.426 2101 E N 0.247 120.427 120.200 -0.033 0.000 2.051 2101 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 2101 E C 1.847 178.429 176.600 -0.029 0.000 0.991 2101 E CA 0.669 57.051 56.400 -0.030 0.000 0.799 2101 E CB -0.205 29.482 29.700 -0.022 0.000 0.748 2101 E HN 0.296 nan 8.360 nan 0.000 0.449 2102 L N 1.903 123.116 121.223 -0.016 0.000 2.012 2102 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 2102 L C 2.290 179.131 176.870 -0.049 0.000 1.073 2102 L CA 1.931 56.770 54.840 -0.003 0.000 0.748 2102 L CB -0.553 41.519 42.059 0.023 0.000 0.891 2102 L HN 0.074 nan 8.230 nan 0.000 0.431 2103 K N -0.153 120.205 120.400 -0.070 0.000 2.103 2103 K HA -0.280 4.040 4.320 -0.000 0.000 0.207 2103 K C 2.026 178.563 176.600 -0.105 0.000 1.048 2103 K CA 2.068 58.286 56.287 -0.116 0.000 0.930 2103 K CB -0.078 32.379 32.500 -0.070 0.000 0.716 2103 K HN 0.474 nan 8.250 nan 0.000 0.444 2104 E N 0.351 120.518 120.200 -0.056 0.000 2.107 2104 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 2104 E C 2.050 178.644 176.600 -0.010 0.000 0.982 2104 E CA 0.564 56.945 56.400 -0.032 0.000 0.809 2104 E CB 0.039 29.724 29.700 -0.024 0.000 0.756 2104 E HN 0.291 nan 8.360 nan 0.000 0.459 2105 L N 0.552 121.774 121.223 -0.002 0.000 2.083 2105 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 2105 L C 2.369 179.353 176.870 0.190 0.000 1.083 2105 L CA 0.900 55.790 54.840 0.083 0.000 0.752 2105 L CB -0.214 41.871 42.059 0.043 0.000 0.899 2105 L HN 0.265 nan 8.230 nan 0.000 0.433 2106 L N -1.797 119.432 121.223 0.010 0.000 2.270 2106 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 2106 L C 2.542 179.360 176.870 -0.087 0.000 1.104 2106 L CA 0.413 55.188 54.840 -0.108 0.000 0.804 2106 L CB -0.374 41.330 42.059 -0.591 0.000 0.937 2106 L HN 0.110 nan 8.230 nan 0.000 0.450 2107 S N -0.136 115.514 115.700 -0.084 0.000 2.442 2107 S HA -0.119 4.351 4.470 -0.000 0.000 0.236 2107 S C 1.882 176.509 174.600 0.045 0.000 1.007 2107 S CA 1.105 59.313 58.200 0.014 0.000 0.965 2107 S CB -0.060 63.143 63.200 0.005 0.000 0.773 2107 S HN 0.351 nan 8.310 nan 0.000 0.504 2108 K N 0.609 121.048 120.400 0.066 0.000 2.314 2108 K HA 0.127 4.447 4.320 -0.000 0.000 0.198 2108 K C 0.409 177.042 176.600 0.056 0.000 1.045 2108 K CA 0.312 56.650 56.287 0.086 0.000 0.988 2108 K CB 0.136 32.728 32.500 0.153 0.000 0.783 2108 K HN 0.105 nan 8.250 nan 0.000 0.484 2109 N N 1.123 119.834 118.700 0.019 0.000 2.640 2109 N HA 0.046 4.786 4.740 -0.000 0.000 0.262 2109 N C 0.442 175.855 175.510 -0.163 0.000 1.174 2109 N CA -0.073 52.898 53.050 -0.133 0.000 0.791 2109 N CB 0.946 39.236 38.487 -0.329 0.000 1.279 2109 N HN -0.139 nan 8.380 nan 0.000 0.535 2110 L N 1.524 122.625 121.223 -0.203 0.000 2.261 2110 L HA -0.083 4.257 4.340 -0.000 0.000 0.216 2110 L C 1.995 178.479 176.870 -0.644 0.000 1.114 2110 L CA 1.349 55.940 54.840 -0.416 0.000 0.777 2110 L CB -1.438 40.326 42.059 -0.492 0.000 0.910 2110 L HN 0.458 nan 8.230 nan 0.000 0.440 2111 T N -1.447 112.878 114.554 -0.383 0.000 2.674 2111 T HA -0.196 4.154 4.350 -0.000 0.000 0.265 2111 T C 1.795 176.404 174.700 -0.152 0.000 1.039 2111 T CA 1.554 63.516 62.100 -0.230 0.000 1.150 2111 T CB -0.299 68.365 68.868 -0.339 0.000 0.864 2111 T HN 0.477 nan 8.240 nan 0.000 0.427 2112 H N -0.594 118.410 119.070 -0.110 0.000 2.457 2112 H HA 0.106 4.662 4.556 -0.000 0.000 0.294 2112 H C 1.960 177.294 175.328 0.009 0.000 1.064 2112 H CA 0.899 56.903 56.048 -0.074 0.000 1.330 2112 H CB -0.190 29.512 29.762 -0.098 0.000 1.395 2112 H HN 0.339 nan 8.280 nan 0.000 0.541 2113 F N 0.387 120.262 119.950 -0.124 0.000 2.134 2113 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 2113 F C 1.427 177.199 175.800 -0.047 0.000 1.097 2113 F CA 0.529 58.446 58.000 -0.138 0.000 1.264 2113 F CB -0.019 38.803 39.000 -0.297 0.000 1.001 2113 F HN 0.066 nan 8.300 nan 0.000 0.479 2114 F N -0.240 119.800 119.950 0.150 0.000 2.134 2114 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 2114 F C 2.204 178.059 175.800 0.092 0.000 1.097 2114 F CA 1.114 59.116 58.000 0.003 0.000 1.264 2114 F CB -1.703 37.241 39.000 -0.093 0.000 1.001 2114 F HN 0.094 nan 8.300 nan 0.000 0.479 2115 Y N 0.740 121.129 120.300 0.147 0.000 2.081 2115 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 2115 Y C 2.364 178.229 175.900 -0.059 0.000 1.163 2115 Y CA 1.702 59.800 58.100 -0.003 0.000 1.135 2115 Y CB -0.873 37.509 38.460 -0.129 0.000 0.970 2115 Y HN -0.125 nan 8.280 nan 0.000 0.498 2116 V N 0.072 119.833 119.914 -0.256 0.000 2.343 2116 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 2116 V C 2.254 178.297 176.094 -0.085 0.000 1.051 2116 V CA 2.074 64.186 62.300 -0.314 0.000 1.036 2116 V CB -1.099 30.641 31.823 -0.138 0.000 0.654 2116 V HN 0.525 nan 8.190 nan 0.000 0.451 2117 F N 0.533 120.484 119.950 0.002 0.000 2.126 2117 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 2117 F C 2.650 178.427 175.800 -0.038 0.000 1.096 2117 F CA 2.361 60.387 58.000 0.044 0.000 1.255 2117 F CB -0.118 38.944 39.000 0.105 0.000 0.997 2117 F HN 0.122 nan 8.300 nan 0.000 0.479 2118 Q N -0.290 119.627 119.800 0.195 0.000 2.119 2118 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 2118 Q C 2.162 178.109 176.000 -0.088 0.000 0.972 2118 Q CA 2.142 57.987 55.803 0.070 0.000 0.847 2118 Q CB -0.263 28.491 28.738 0.026 0.000 0.903 2118 Q HN 0.567 nan 8.270 nan 0.000 0.433 2119 T N -0.927 113.450 114.554 -0.294 0.000 2.833 2119 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 2119 T C 1.759 176.363 174.700 -0.160 0.000 1.054 2119 T CA 0.853 62.694 62.100 -0.431 0.000 1.135 2119 T CB -0.178 68.146 68.868 -0.905 0.000 0.869 2119 T HN 0.138 nan 8.240 nan 0.000 0.466 2120 L N 1.481 122.618 121.223 -0.143 0.000 2.027 2120 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 2120 L C 2.933 179.792 176.870 -0.018 0.000 1.074 2120 L CA 1.670 56.461 54.840 -0.082 0.000 0.745 2120 L CB -1.055 40.877 42.059 -0.211 0.000 0.898 2120 L HN 0.374 nan 8.230 nan 0.000 0.433 2121 Q N -1.139 118.632 119.800 -0.047 0.000 2.234 2121 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 2121 Q C 2.127 178.226 176.000 0.164 0.000 0.980 2121 Q CA 1.287 57.114 55.803 0.041 0.000 0.869 2121 Q CB -0.108 28.671 28.738 0.068 0.000 0.912 2121 Q HN 0.262 nan 8.270 nan 0.000 0.436 2122 K N 1.193 121.710 120.400 0.196 0.000 1.985 2122 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 2122 K C 2.028 178.912 176.600 0.475 0.000 1.047 2122 K CA 1.579 58.100 56.287 0.391 0.000 0.932 2122 K CB -0.038 32.705 32.500 0.406 0.000 0.716 2122 K HN 0.189 nan 8.250 nan 0.000 0.439 2123 Q N -0.387 119.620 119.800 0.344 0.000 2.124 2123 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 2123 Q C 2.041 178.152 176.000 0.186 0.000 0.977 2123 Q CA 1.497 57.435 55.803 0.225 0.000 0.850 2123 Q CB -0.103 28.759 28.738 0.207 0.000 0.901 2123 Q HN 0.095 nan 8.270 nan 0.000 0.429 2124 V N 1.232 121.246 119.914 0.166 0.000 2.261 2124 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 2124 V C 2.490 178.677 176.094 0.155 0.000 1.047 2124 V CA 2.141 64.515 62.300 0.124 0.000 1.015 2124 V CB -0.824 31.050 31.823 0.086 0.000 0.642 2124 V HN 0.498 nan 8.190 nan 0.000 0.446 2125 S N -0.737 115.117 115.700 0.256 0.000 2.399 2125 S HA -0.273 4.197 4.470 -0.000 0.000 0.231 2125 S C 1.969 176.675 174.600 0.175 0.000 1.022 2125 S CA 1.741 60.138 58.200 0.327 0.000 0.983 2125 S CB -0.797 62.713 63.200 0.517 0.000 0.803 2125 S HN 0.664 nan 8.310 nan 0.000 0.480 2126 Y N 2.505 122.669 120.300 -0.227 0.000 2.163 2126 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 2126 Y C 2.588 178.241 175.900 -0.412 0.000 1.136 2126 Y CA 1.572 59.121 58.100 -0.919 0.000 1.147 2126 Y CB -0.683 37.171 38.460 -1.011 0.000 0.987 2126 Y HN 0.274 nan 8.280 nan 0.000 0.509 2127 S N 0.578 116.257 115.700 -0.035 0.000 2.382 2127 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 2127 S C 1.985 176.565 174.600 -0.034 0.000 1.027 2127 S CA 1.587 59.759 58.200 -0.046 0.000 0.991 2127 S CB -0.522 62.692 63.200 0.024 0.000 0.823 2127 S HN 0.460 nan 8.310 nan 0.000 0.469 2128 L N 0.835 122.064 121.223 0.011 0.000 2.093 2128 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 2128 L C 2.745 179.674 176.870 0.098 0.000 1.085 2128 L CA 1.110 56.010 54.840 0.099 0.000 0.755 2128 L CB -0.644 41.477 42.059 0.104 0.000 0.904 2128 L HN 0.311 nan 8.230 nan 0.000 0.435 2129 A N -0.001 122.803 122.820 -0.028 0.000 1.873 2129 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 2129 A C 2.365 179.884 177.584 -0.108 0.000 1.186 2129 A CA 1.700 53.709 52.037 -0.046 0.000 0.616 2129 A CB -0.382 18.561 19.000 -0.095 0.000 0.823 2129 A HN 0.246 nan 8.150 nan 0.000 0.442 2130 K N -1.637 118.602 120.400 -0.268 0.000 2.032 2130 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 2130 K C 1.764 178.365 176.600 0.002 0.000 1.048 2130 K CA 1.724 57.880 56.287 -0.219 0.000 0.927 2130 K CB -0.328 31.961 32.500 -0.352 0.000 0.712 2130 K HN 0.469 nan 8.250 nan 0.000 0.441 2131 F N 2.352 122.258 119.950 -0.073 0.000 2.171 2131 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 2131 F C 2.060 177.903 175.800 0.072 0.000 1.090 2131 F CA 1.457 59.470 58.000 0.021 0.000 1.293 2131 F CB -0.382 38.621 39.000 0.004 0.000 1.013 2131 F HN 0.130 nan 8.300 nan 0.000 0.486 2132 N N 0.557 119.233 118.700 -0.039 0.000 2.080 2132 N HA -0.204 4.535 4.740 -0.000 0.000 0.189 2132 N C 1.380 176.808 175.510 -0.135 0.000 1.036 2132 N CA 1.990 54.971 53.050 -0.116 0.000 0.846 2132 N CB -0.498 37.998 38.487 0.016 0.000 1.015 2132 N HN 0.220 nan 8.380 nan 0.000 0.423 2133 D N -0.154 120.211 120.400 -0.058 0.000 2.221 2133 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 2133 D C 1.498 177.773 176.300 -0.042 0.000 0.982 2133 D CA 0.599 54.577 54.000 -0.036 0.000 0.857 2133 D CB -0.448 40.350 40.800 -0.003 0.000 0.934 2133 D HN 0.360 nan 8.370 nan 0.000 0.475 2134 F N 1.061 120.905 119.950 -0.177 0.000 2.187 2134 F HA -0.049 4.478 4.527 -0.000 0.000 0.295 2134 F C 2.301 177.976 175.800 -0.209 0.000 1.091 2134 F CA 0.868 58.769 58.000 -0.166 0.000 1.308 2134 F CB -0.154 38.756 39.000 -0.150 0.000 1.030 2134 F HN -0.211 nan 8.300 nan 0.000 0.487 2135 S N 0.807 116.278 115.700 -0.383 0.000 2.419 2135 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 2135 S C 2.071 176.468 174.600 -0.338 0.000 1.016 2135 S CA 1.606 59.548 58.200 -0.431 0.000 0.974 2135 S CB -0.392 62.518 63.200 -0.484 0.000 0.786 2135 S HN 0.409 nan 8.310 nan 0.000 0.492 2136 I N 1.047 121.457 120.570 -0.266 0.000 2.429 2136 I HA 0.021 4.191 4.170 -0.000 0.000 0.247 2136 I C 0.848 176.860 176.117 -0.174 0.000 1.099 2136 I CA 0.700 61.893 61.300 -0.178 0.000 1.422 2136 I CB -0.039 37.894 38.000 -0.111 0.000 1.112 2136 I HN 0.160 nan 8.210 nan 0.000 0.430 2137 N N 0.817 119.405 118.700 -0.187 0.000 2.235 2137 N HA 0.211 4.951 4.740 -0.000 0.000 0.231 2137 N C 0.729 176.083 175.510 -0.260 0.000 1.177 2137 N CA 0.583 53.541 53.050 -0.153 0.000 0.874 2137 N CB 0.927 39.410 38.487 -0.007 0.000 1.097 2137 N HN 0.352 nan 8.380 nan 0.000 0.518 2138 G N 2.230 110.719 108.800 -0.518 0.000 2.574 2138 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.295 2138 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.295 2138 G C 0.992 175.753 174.900 -0.232 0.000 1.300 2138 G CA 0.232 44.905 45.100 -0.711 0.000 0.944 2138 G HN 0.158 nan 8.290 nan 0.000 0.551 2139 K N -0.375 120.041 120.400 0.027 0.000 2.160 2139 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 2139 K C 2.493 179.131 176.600 0.063 0.000 1.047 2139 K CA 1.548 57.937 56.287 0.169 0.000 0.930 2139 K CB -0.564 32.010 32.500 0.124 0.000 0.720 2139 K HN 0.459 nan 8.250 nan 0.000 0.450 2140 L N 0.271 121.472 121.223 -0.037 0.000 2.127 2140 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 2140 L C 1.874 178.711 176.870 -0.055 0.000 1.089 2140 L CA 2.118 56.904 54.840 -0.089 0.000 0.757 2140 L CB -1.108 40.821 42.059 -0.216 0.000 0.899 2140 L HN 0.190 nan 8.230 nan 0.000 0.434 2141 G N -1.292 107.494 108.800 -0.023 0.000 2.396 2141 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 2141 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 2141 G C 1.601 176.542 174.900 0.068 0.000 1.166 2141 G CA 0.697 45.813 45.100 0.028 0.000 0.793 2141 G HN 0.464 nan 8.290 nan 0.000 0.533 2142 S N 0.935 116.710 115.700 0.125 0.000 2.351 2142 S HA -0.104 4.366 4.470 -0.000 0.000 0.220 2142 S C 2.288 176.935 174.600 0.078 0.000 1.035 2142 S CA 1.032 59.301 58.200 0.115 0.000 1.031 2142 S CB -0.224 63.066 63.200 0.150 0.000 0.928 2142 S HN 0.202 nan 8.310 nan 0.000 0.433 2143 I N 1.539 122.155 120.570 0.077 0.000 2.264 2143 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 2143 I C 2.454 178.582 176.117 0.018 0.000 1.111 2143 I CA 0.834 62.173 61.300 0.064 0.000 1.382 2143 I CB -1.806 36.221 38.000 0.044 0.000 1.060 2143 I HN 0.356 nan 8.210 nan 0.000 0.418 2144 C N 0.841 120.155 119.300 0.023 0.000 2.435 2144 C HA -0.024 4.435 4.460 -0.000 0.000 0.279 2144 C C 3.008 178.004 174.990 0.009 0.000 1.321 2144 C CA 0.838 59.871 59.018 0.025 0.000 1.752 2144 C CB -1.596 26.188 27.740 0.073 0.000 1.959 2144 C HN 0.645 nan 8.230 nan 0.000 0.500 2145 G N -0.465 108.350 108.800 0.026 0.000 2.404 2145 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 2145 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 2145 G C 1.469 176.396 174.900 0.046 0.000 1.174 2145 G CA 1.045 46.162 45.100 0.028 0.000 0.780 2145 G HN 0.533 nan 8.290 nan 0.000 0.537 2146 Q N 0.173 120.010 119.800 0.062 0.000 2.062 2146 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 2146 Q C 2.511 178.547 176.000 0.061 0.000 0.996 2146 Q CA 1.531 57.392 55.803 0.095 0.000 0.859 2146 Q CB -0.485 28.341 28.738 0.148 0.000 0.920 2146 Q HN 0.498 nan 8.270 nan 0.000 0.415 2147 L N -0.529 120.684 121.223 -0.017 0.000 2.093 2147 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 2147 L C 2.252 179.056 176.870 -0.110 0.000 1.085 2147 L CA 0.526 55.301 54.840 -0.108 0.000 0.755 2147 L CB -0.496 41.437 42.059 -0.210 0.000 0.904 2147 L HN 0.338 nan 8.230 nan 0.000 0.435 2148 L N 0.923 122.074 121.223 -0.120 0.000 1.994 2148 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 2148 L C 2.404 179.070 176.870 -0.340 0.000 1.071 2148 L CA 1.909 56.579 54.840 -0.283 0.000 0.745 2148 L CB -0.488 41.423 42.059 -0.248 0.000 0.892 2148 L HN 0.268 nan 8.230 nan 0.000 0.431 2149 I N -4.002 116.546 120.570 -0.036 0.000 2.315 2149 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 2149 I C 2.303 178.532 176.117 0.187 0.000 1.117 2149 I CA 1.060 62.482 61.300 0.204 0.000 1.404 2149 I CB -0.696 37.617 38.000 0.521 0.000 1.071 2149 I HN 0.204 nan 8.210 nan 0.000 0.419 2150 L N 1.648 122.963 121.223 0.153 0.000 2.013 2150 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 2150 L C 2.757 179.726 176.870 0.166 0.000 1.073 2150 L CA 2.335 57.309 54.840 0.224 0.000 0.753 2150 L CB -1.397 40.749 42.059 0.145 0.000 0.890 2150 L HN 0.334 nan 8.230 nan 0.000 0.432 2151 T N -1.613 112.954 114.554 0.022 0.000 2.622 2151 T HA -0.264 4.086 4.350 -0.000 0.000 0.266 2151 T C 1.854 176.601 174.700 0.078 0.000 1.047 2151 T CA 1.804 63.902 62.100 -0.003 0.000 1.159 2151 T CB -0.573 68.218 68.868 -0.129 0.000 0.863 2151 T HN 0.317 nan 8.240 nan 0.000 0.422 2152 Y N 0.406 120.621 120.300 -0.143 0.000 2.165 2152 Y HA -0.175 4.374 4.550 -0.000 0.000 0.286 2152 Y C 2.719 178.572 175.900 -0.078 0.000 1.155 2152 Y CA 0.395 58.356 58.100 -0.231 0.000 1.164 2152 Y CB -0.216 37.815 38.460 -0.715 0.000 0.978 2152 Y HN 0.047 nan 8.280 nan 0.000 0.513 2153 V N -1.888 118.117 119.914 0.151 0.000 2.379 2153 V HA -0.247 3.873 4.120 -0.000 0.000 0.243 2153 V C 0.860 176.781 176.094 -0.288 0.000 1.035 2153 V CA 1.635 63.890 62.300 -0.076 0.000 1.035 2153 V CB -0.477 31.220 31.823 -0.210 0.000 0.673 2153 V HN 0.335 nan 8.190 nan 0.000 0.457 2154 Y N 0.308 120.670 120.300 0.104 0.000 2.467 2154 Y HA 0.530 5.080 4.550 -0.000 0.000 0.250 2154 Y C 1.357 177.277 175.900 0.033 0.000 1.155 2154 Y CA -0.273 57.864 58.100 0.061 0.000 1.249 2154 Y CB -0.122 38.368 38.460 0.050 0.000 1.146 2154 Y HN 0.214 nan 8.280 nan 0.000 0.524 2155 G N 1.118 110.001 108.800 0.139 0.000 2.395 2155 G HA2 0.487 4.447 3.960 -0.000 0.000 0.283 2155 G HA3 0.487 4.447 3.960 -0.000 0.000 0.283 2155 G C -0.430 174.499 174.900 0.048 0.000 1.178 2155 G CA -0.521 44.623 45.100 0.074 0.000 0.837 2155 G HN -0.141 nan 8.290 nan 0.000 0.518 2156 K N 1.962 122.375 120.400 0.023 0.000 2.471 2156 K HA 0.254 4.574 4.320 -0.000 0.000 0.252 2156 K C -0.283 176.334 176.600 0.028 0.000 0.938 2156 K CA -0.673 55.629 56.287 0.024 0.000 0.796 2156 K CB 2.748 35.264 32.500 0.026 0.000 1.161 2156 K HN 0.679 nan 8.250 nan 0.000 0.425 2157 E N 1.540 121.760 120.200 0.034 0.000 2.465 2157 E HA 0.034 4.384 4.350 -0.000 0.000 0.260 2157 E C 0.134 176.773 176.600 0.066 0.000 0.980 2157 E CA 0.752 57.180 56.400 0.047 0.000 0.927 2157 E CB 0.603 30.321 29.700 0.029 0.000 0.934 2157 E HN 0.675 nan 8.360 nan 0.000 0.459 2158 T N 0.028 114.642 114.554 0.099 0.000 2.647 2158 T HA 0.381 4.731 4.350 -0.000 0.000 0.295 2158 T C -2.024 172.732 174.700 0.092 0.000 1.126 2158 T CA -1.251 60.919 62.100 0.116 0.000 1.040 2158 T CB 0.862 69.859 68.868 0.214 0.000 1.472 2158 T HN 0.099 nan 8.240 nan 0.000 0.500 2159 P HA 0.021 nan 4.420 nan 0.000 0.208 2159 P C -0.015 177.291 177.300 0.010 0.000 1.195 2159 P CA 1.251 64.364 63.100 0.021 0.000 0.927 2159 P CB -0.399 31.299 31.700 -0.004 0.000 0.778 2160 D N -0.155 120.222 120.400 -0.038 0.000 2.619 2160 D HA 0.388 5.028 4.640 -0.000 0.000 0.224 2160 D C 0.648 176.958 176.300 0.017 0.000 1.133 2160 D CA -0.224 53.719 54.000 -0.095 0.000 1.017 2160 D CB -0.965 39.675 40.800 -0.267 0.000 1.077 2160 D HN 0.347 nan 8.370 nan 0.000 0.503 2161 G N 1.044 109.912 108.800 0.114 0.000 2.755 2161 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.686 2161 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.686 2161 G C -0.099 174.975 174.900 0.290 0.000 1.427 2161 G CA -0.778 44.440 45.100 0.196 0.000 0.873 2161 G HN 0.551 nan 8.290 nan 0.000 0.580 2162 I N 1.242 121.905 120.570 0.154 0.000 2.792 2162 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 2162 I C 1.337 177.450 176.117 -0.007 0.000 1.166 2162 I CA 0.602 61.949 61.300 0.079 0.000 1.375 2162 I CB 0.255 38.280 38.000 0.041 0.000 1.421 2162 I HN 0.476 nan 8.210 nan 0.000 0.544 2163 K N 7.736 128.062 120.400 -0.124 0.000 2.349 2163 K HA 0.197 4.517 4.320 -0.000 0.000 0.289 2163 K C -0.265 176.191 176.600 -0.240 0.000 1.064 2163 K CA -0.614 55.365 56.287 -0.512 0.000 0.947 2163 K CB 0.495 32.702 32.500 -0.487 0.000 1.007 2163 K HN 0.434 nan 8.250 nan 0.000 0.478 2164 I N 4.762 125.211 120.570 -0.201 0.000 2.452 2164 I HA 0.027 4.197 4.170 -0.000 0.000 0.287 2164 I C 0.131 176.233 176.117 -0.025 0.000 1.079 2164 I CA 0.019 61.309 61.300 -0.016 0.000 1.387 2164 I CB 0.732 38.781 38.000 0.082 0.000 1.404 2164 I HN 0.584 nan 8.210 nan 0.000 0.522 2165 T N 8.183 122.763 114.554 0.042 0.000 2.738 2165 T HA 0.705 5.054 4.350 -0.000 0.000 0.298 2165 T C 0.044 174.724 174.700 -0.034 0.000 0.962 2165 T CA -0.476 61.639 62.100 0.024 0.000 0.972 2165 T CB 0.855 69.767 68.868 0.073 0.000 0.928 2165 T HN 0.372 nan 8.240 nan 0.000 0.474 2166 L N 2.403 123.581 121.223 -0.075 0.000 2.735 2166 L HA 0.238 4.578 4.340 -0.000 0.000 0.258 2166 L C -0.853 175.966 176.870 -0.085 0.000 0.920 2166 L CA -1.123 53.622 54.840 -0.158 0.000 0.958 2166 L CB 2.400 44.301 42.059 -0.262 0.000 1.499 2166 L HN 0.538 nan 8.230 nan 0.000 0.441 2167 D N 2.068 122.420 120.400 -0.081 0.000 2.752 2167 D HA -0.097 4.543 4.640 -0.000 0.000 0.225 2167 D C 1.225 177.505 176.300 -0.032 0.000 1.104 2167 D CA 0.990 54.964 54.000 -0.044 0.000 0.832 2167 D CB 0.680 41.456 40.800 -0.041 0.000 1.161 2167 D HN 0.535 nan 8.370 nan 0.000 0.505 2168 N N 2.462 121.156 118.700 -0.009 0.000 2.069 2168 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 2168 N C 1.593 177.101 175.510 -0.004 0.000 1.024 2168 N CA 1.054 54.108 53.050 0.008 0.000 0.869 2168 N CB -0.061 38.438 38.487 0.021 0.000 1.035 2168 N HN 0.458 nan 8.380 nan 0.000 0.434 2169 L N 0.420 121.638 121.223 -0.010 0.000 1.976 2169 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 2169 L C 2.517 179.368 176.870 -0.032 0.000 1.071 2169 L CA 1.245 56.076 54.840 -0.015 0.000 0.746 2169 L CB -0.934 41.120 42.059 -0.008 0.000 0.890 2169 L HN 0.207 nan 8.230 nan 0.000 0.432 2170 T N -0.416 114.111 114.554 -0.044 0.000 2.665 2170 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 2170 T C 1.980 176.625 174.700 -0.091 0.000 1.035 2170 T CA 1.482 63.539 62.100 -0.072 0.000 1.151 2170 T CB -0.193 68.615 68.868 -0.101 0.000 0.862 2170 T HN 0.123 nan 8.240 nan 0.000 0.438 2171 M N 1.151 120.708 119.600 -0.071 0.000 2.073 2171 M HA -0.149 4.331 4.480 -0.000 0.000 0.258 2171 M C 2.413 178.688 176.300 -0.042 0.000 1.070 2171 M CA 1.634 56.913 55.300 -0.035 0.000 1.103 2171 M CB -1.200 31.417 32.600 0.027 0.000 1.321 2171 M HN 0.347 nan 8.290 nan 0.000 0.405 2172 Q N -0.114 119.665 119.800 -0.035 0.000 2.248 2172 Q HA -0.195 4.144 4.340 -0.000 0.000 0.208 2172 Q C 1.425 177.373 176.000 -0.086 0.000 0.984 2172 Q CA 1.318 57.090 55.803 -0.051 0.000 0.875 2172 Q CB 0.026 28.746 28.738 -0.030 0.000 0.910 2172 Q HN 0.529 nan 8.270 nan 0.000 0.433 2173 E N -0.059 120.090 120.200 -0.085 0.000 2.347 2173 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 2173 E C 1.402 177.924 176.600 -0.130 0.000 1.008 2173 E CA 0.444 56.796 56.400 -0.080 0.000 0.852 2173 E CB 0.201 29.869 29.700 -0.053 0.000 0.783 2173 E HN 0.460 nan 8.360 nan 0.000 0.505 2174 L N -0.507 120.583 121.223 -0.221 0.000 2.628 2174 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 2174 L C 1.407 177.958 176.870 -0.531 0.000 1.137 2174 L CA 0.421 55.044 54.840 -0.363 0.000 0.909 2174 L CB 0.273 42.103 42.059 -0.382 0.000 1.137 2174 L HN 0.256 nan 8.230 nan 0.000 0.470 2175 G N -1.057 107.493 108.800 -0.417 0.000 2.604 2175 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.205 2175 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.205 2175 G C 0.066 174.753 174.900 -0.354 0.000 1.186 2175 G CA -0.168 44.650 45.100 -0.469 0.000 0.753 2175 G HN 0.162 nan 8.290 nan 0.000 0.526 2184 S N -1.385 114.328 115.700 0.023 0.000 6.009 2184 S HA 0.270 4.739 4.470 -0.000 0.000 0.104 2184 S C 1.405 176.020 174.600 0.024 0.000 1.171 2184 S CA 1.347 59.559 58.200 0.021 0.000 1.364 2184 S CB -1.226 61.983 63.200 0.015 0.000 1.747 2184 S HN 1.383 nan 8.310 nan 0.000 0.498 2185 A N 1.325 124.160 122.820 0.026 0.000 2.066 2185 A HA 0.232 4.552 4.320 -0.000 0.000 0.218 2185 A C 1.771 179.377 177.584 0.037 0.000 1.157 2185 A CA 1.793 53.847 52.037 0.029 0.000 0.670 2185 A CB -0.416 18.603 19.000 0.031 0.000 0.804 2185 A HN 0.536 nan 8.150 nan 0.000 0.453 2186 V N -1.033 118.910 119.914 0.048 0.000 2.725 2186 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 2186 V C 2.621 178.757 176.094 0.070 0.000 1.058 2186 V CA 1.673 64.017 62.300 0.073 0.000 1.080 2186 V CB -0.247 31.639 31.823 0.105 0.000 0.713 2186 V HN 0.621 nan 8.190 nan 0.000 0.465 2187 S N 0.577 116.312 115.700 0.058 0.000 2.368 2187 S HA -0.271 4.199 4.470 -0.000 0.000 0.225 2187 S C 2.204 176.820 174.600 0.027 0.000 1.030 2187 S CA 1.982 60.212 58.200 0.049 0.000 0.999 2187 S CB -0.251 62.972 63.200 0.038 0.000 0.844 2187 S HN 0.470 nan 8.310 nan 0.000 0.459 2188 R N 1.112 121.624 120.500 0.020 0.000 2.103 2188 R HA 0.029 4.369 4.340 -0.000 0.000 0.242 2188 R C 2.029 178.329 176.300 -0.001 0.000 1.142 2188 R CA 2.071 58.176 56.100 0.008 0.000 0.960 2188 R CB -0.781 29.523 30.300 0.007 0.000 0.858 2188 R HN 0.611 nan 8.270 nan 0.000 0.439 2189 I N -0.175 120.396 120.570 0.002 0.000 2.500 2189 I HA -0.185 3.985 4.170 -0.000 0.000 0.252 2189 I C 1.647 177.745 176.117 -0.030 0.000 1.142 2189 I CA 0.411 61.703 61.300 -0.014 0.000 1.451 2189 I CB -0.224 37.772 38.000 -0.006 0.000 1.093 2189 I HN 0.098 nan 8.210 nan 0.000 0.430 2190 I N 0.695 121.253 120.570 -0.020 0.000 2.133 2190 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 2190 I C 2.706 178.802 176.117 -0.035 0.000 1.074 2190 I CA 1.400 62.669 61.300 -0.051 0.000 1.342 2190 I CB -1.379 36.615 38.000 -0.009 0.000 1.053 2190 I HN 0.151 nan 8.210 nan 0.000 0.404 2191 S N 0.925 116.620 115.700 -0.008 0.000 2.393 2191 S HA -0.315 4.155 4.470 -0.000 0.000 0.234 2191 S C 1.994 176.579 174.600 -0.025 0.000 1.064 2191 S CA 2.237 60.434 58.200 -0.005 0.000 1.088 2191 S CB -0.387 62.813 63.200 0.000 0.000 0.939 2191 S HN 0.307 nan 8.310 nan 0.000 0.448 2192 K N 1.491 121.870 120.400 -0.035 0.000 1.991 2192 K HA -0.023 4.297 4.320 -0.000 0.000 0.212 2192 K C 1.932 178.479 176.600 -0.089 0.000 1.049 2192 K CA 1.447 57.703 56.287 -0.052 0.000 0.932 2192 K CB -0.805 31.667 32.500 -0.046 0.000 0.717 2192 K HN 0.344 nan 8.250 nan 0.000 0.441 2193 L N 0.583 121.739 121.223 -0.110 0.000 2.013 2193 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 2193 L C 2.479 179.275 176.870 -0.123 0.000 1.073 2193 L CA 1.746 56.483 54.840 -0.172 0.000 0.753 2193 L CB -0.590 41.360 42.059 -0.180 0.000 0.890 2193 L HN 0.251 nan 8.230 nan 0.000 0.432 2194 K N -0.362 120.004 120.400 -0.057 0.000 1.991 2194 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 2194 K C 2.129 178.715 176.600 -0.023 0.000 1.049 2194 K CA 1.467 57.752 56.287 -0.003 0.000 0.932 2194 K CB -0.401 32.126 32.500 0.044 0.000 0.717 2194 K HN 0.284 nan 8.250 nan 0.000 0.441 2195 Q N 1.629 121.411 119.800 -0.029 0.000 2.077 2195 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 2195 Q C 1.570 177.539 176.000 -0.051 0.000 0.989 2195 Q CA 1.754 57.539 55.803 -0.031 0.000 0.853 2195 Q CB -0.047 28.675 28.738 -0.026 0.000 0.907 2195 Q HN 0.372 nan 8.270 nan 0.000 0.418 2196 E N 0.426 120.574 120.200 -0.086 0.000 2.418 2196 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 2196 E C 0.338 176.868 176.600 -0.117 0.000 1.026 2196 E CA 0.282 56.613 56.400 -0.115 0.000 0.862 2196 E CB -0.021 29.559 29.700 -0.199 0.000 0.799 2196 E HN 0.293 nan 8.360 nan 0.000 0.518 2197 K N 0.037 120.380 120.400 -0.096 0.000 3.167 2197 K HA -0.181 4.139 4.320 -0.000 0.000 0.272 2197 K C 0.489 177.029 176.600 -0.099 0.000 1.137 2197 K CA 0.098 56.344 56.287 -0.068 0.000 0.800 2197 K CB -1.431 31.042 32.500 -0.045 0.000 1.253 2197 K HN 0.012 nan 8.250 nan 0.000 0.497 2198 V N 0.531 120.338 119.914 -0.180 0.000 2.871 2198 V HA 0.008 4.128 4.120 -0.000 0.000 0.256 2198 V C 1.147 177.176 176.094 -0.110 0.000 1.082 2198 V CA 1.814 63.980 62.300 -0.222 0.000 1.105 2198 V CB -0.500 31.047 31.823 -0.460 0.000 0.713 2198 V HN 0.474 nan 8.190 nan 0.000 0.473 2199 I N -3.847 116.683 120.570 -0.067 0.000 3.102 2199 I HA 0.739 4.909 4.170 -0.000 0.000 0.310 2199 I C -1.368 174.827 176.117 0.129 0.000 1.246 2199 I CA -0.857 60.460 61.300 0.030 0.000 0.979 2199 I CB 2.506 40.465 38.000 -0.069 0.000 1.267 2199 I HN -0.323 nan 8.210 nan 0.000 0.451 2200 V N 2.446 122.522 119.914 0.270 0.000 3.049 2200 V HA 0.321 4.441 4.120 -0.000 0.000 0.309 2200 V C -1.545 174.787 176.094 0.397 0.000 1.148 2200 V CA -0.515 61.935 62.300 0.251 0.000 0.990 2200 V CB 2.158 34.046 31.823 0.108 0.000 1.039 2200 V HN 0.739 nan 8.190 nan 0.000 0.430 2201 Y N 2.994 123.351 120.300 0.094 0.000 2.726 2201 Y HA 0.494 5.044 4.550 -0.000 0.000 0.367 2201 Y C 0.124 176.007 175.900 -0.028 0.000 1.038 2201 Y CA -0.875 57.197 58.100 -0.047 0.000 1.174 2201 Y CB 0.415 38.761 38.460 -0.189 0.000 1.265 2201 Y HN 0.600 nan 8.280 nan 0.000 0.622 2202 K N 3.832 124.162 120.400 -0.118 0.000 2.234 2202 K HA 0.285 4.605 4.320 -0.000 0.000 0.277 2202 K C -0.516 175.964 176.600 -0.201 0.000 1.038 2202 K CA -0.219 55.931 56.287 -0.227 0.000 0.888 2202 K CB 0.263 32.613 32.500 -0.251 0.000 1.091 2202 K HN 0.670 nan 8.250 nan 0.000 0.467 2203 N N 2.923 121.437 118.700 -0.310 0.000 2.590 2203 N HA -0.153 4.587 4.740 -0.000 0.000 0.273 2203 N C -1.015 174.338 175.510 -0.262 0.000 1.210 2203 N CA 0.863 53.782 53.050 -0.219 0.000 0.676 2203 N CB -1.587 36.861 38.487 -0.065 0.000 0.881 2203 N HN 0.741 nan 8.380 nan 0.000 0.550 2204 S N -1.072 114.340 115.700 -0.479 0.000 3.252 2204 S HA -0.216 4.254 4.470 -0.000 0.000 0.349 2204 S C 0.191 174.749 174.600 -0.070 0.000 0.899 2204 S CA 1.023 59.058 58.200 -0.275 0.000 1.273 2204 S CB -1.069 62.096 63.200 -0.057 0.000 0.868 2204 S HN 0.684 nan 8.310 nan 0.000 0.472 2205 C N 0.239 119.473 119.300 -0.110 0.000 3.090 2205 C HA 0.566 5.026 4.460 -0.000 0.000 0.347 2205 C C -0.389 174.657 174.990 0.094 0.000 1.147 2205 C CA -1.149 57.870 59.018 0.003 0.000 1.305 2205 C CB 1.016 28.724 27.740 -0.054 0.000 1.692 2205 C HN 0.452 nan 8.230 nan 0.000 0.506 2206 F N 1.831 121.830 119.950 0.083 0.000 2.394 2206 F HA 0.575 5.102 4.527 -0.000 0.000 0.340 2206 F C -0.125 175.628 175.800 -0.079 0.000 1.105 2206 F CA -0.116 57.942 58.000 0.098 0.000 1.124 2206 F CB 0.669 39.671 39.000 0.004 0.000 1.145 2206 F HN 0.483 nan 8.300 nan 0.000 0.505 2207 Y N 2.188 122.649 120.300 0.269 0.000 2.326 2207 Y HA 0.477 5.027 4.550 -0.000 0.000 0.329 2207 Y C -0.427 175.522 175.900 0.081 0.000 0.973 2207 Y CA -1.108 57.071 58.100 0.130 0.000 1.162 2207 Y CB 1.469 39.976 38.460 0.080 0.000 1.147 2207 Y HN 0.161 nan 8.280 nan 0.000 0.456 2208 V N 4.771 124.769 119.914 0.140 0.000 2.461 2208 V HA 0.121 4.241 4.120 -0.000 0.000 0.275 2208 V C 0.332 176.467 176.094 0.069 0.000 1.047 2208 V CA 0.089 62.423 62.300 0.056 0.000 0.955 2208 V CB 1.375 33.194 31.823 -0.006 0.000 0.988 2208 V HN 0.873 nan 8.190 nan 0.000 0.471 2209 Q N 2.856 122.680 119.800 0.041 0.000 2.246 2209 Q HA 0.229 4.569 4.340 -0.000 0.000 0.222 2209 Q C 0.228 176.235 176.000 0.011 0.000 0.851 2209 Q CA -0.035 55.787 55.803 0.031 0.000 0.945 2209 Q CB 0.605 29.357 28.738 0.023 0.000 1.122 2209 Q HN 0.656 nan 8.270 nan 0.000 0.508 2210 N N 0.949 119.651 118.700 0.004 0.000 2.750 2210 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 2210 N C -0.234 175.309 175.510 0.056 0.000 1.408 2210 N CA -0.083 52.983 53.050 0.026 0.000 0.780 2210 N CB 1.002 39.494 38.487 0.008 0.000 1.191 2210 N HN 0.076 nan 8.380 nan 0.000 0.511 2211 L N 1.323 122.564 121.223 0.030 0.000 2.201 2211 L HA 0.109 4.449 4.340 -0.000 0.000 0.212 2211 L C 1.156 178.042 176.870 0.027 0.000 1.105 2211 L CA 1.803 56.648 54.840 0.008 0.000 0.775 2211 L CB 0.024 42.077 42.059 -0.011 0.000 0.913 2211 L HN 0.397 nan 8.230 nan 0.000 0.440 2212 D N -1.630 118.799 120.400 0.048 0.000 2.224 2212 D HA -0.226 4.414 4.640 -0.000 0.000 0.205 2212 D C 1.736 178.071 176.300 0.058 0.000 0.965 2212 D CA 1.154 55.177 54.000 0.040 0.000 0.852 2212 D CB 0.005 40.824 40.800 0.032 0.000 0.947 2212 D HN 0.473 nan 8.370 nan 0.000 0.494 2213 Y N 1.986 122.281 120.300 -0.008 0.000 2.163 2213 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 2213 Y C 2.316 178.255 175.900 0.066 0.000 1.136 2213 Y CA 1.238 59.363 58.100 0.043 0.000 1.147 2213 Y CB -0.310 38.197 38.460 0.078 0.000 0.987 2213 Y HN -0.148 nan 8.280 nan 0.000 0.509 2214 L N 0.044 121.392 121.223 0.208 0.000 2.012 2214 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 2214 L C 2.303 179.167 176.870 -0.009 0.000 1.073 2214 L CA 1.884 56.777 54.840 0.088 0.000 0.748 2214 L CB -0.659 41.403 42.059 0.005 0.000 0.891 2214 L HN 0.158 nan 8.230 nan 0.000 0.431 2215 K N -0.417 119.969 120.400 -0.024 0.000 2.209 2215 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 2215 K C 2.276 178.826 176.600 -0.083 0.000 1.048 2215 K CA 0.830 57.111 56.287 -0.011 0.000 0.940 2215 K CB -0.132 32.393 32.500 0.041 0.000 0.729 2215 K HN 0.191 nan 8.250 nan 0.000 0.451 2216 R N 0.058 120.435 120.500 -0.204 0.000 2.075 2216 R HA -0.108 4.231 4.340 -0.000 0.000 0.232 2216 R C 1.019 176.974 176.300 -0.575 0.000 1.126 2216 R CA 1.450 57.286 56.100 -0.440 0.000 0.963 2216 R CB 0.061 29.949 30.300 -0.686 0.000 0.858 2216 R HN 0.234 nan 8.270 nan 0.000 0.435 2217 Y N -1.412 118.756 120.300 -0.220 0.000 2.468 2217 Y HA 0.349 4.899 4.550 -0.000 0.000 0.268 2217 Y C 0.474 176.306 175.900 -0.114 0.000 1.177 2217 Y CA 0.092 58.073 58.100 -0.199 0.000 1.265 2217 Y CB 1.016 39.300 38.460 -0.294 0.000 1.103 2217 Y HN 0.076 nan 8.280 nan 0.000 0.522 2218 A N -0.715 122.114 122.820 0.015 0.000 3.234 2218 A HA 0.410 4.730 4.320 -0.000 0.000 0.247 2218 A C -2.176 175.433 177.584 0.042 0.000 0.938 2218 A CA -0.992 51.064 52.037 0.031 0.000 1.039 2218 A CB 0.093 19.116 19.000 0.037 0.000 1.197 2218 A HN 0.027 nan 8.150 nan 0.000 0.498 2219 P HA -0.200 nan 4.420 nan 0.000 0.212 2219 P C 1.575 178.926 177.300 0.084 0.000 1.178 2219 P CA 1.369 64.486 63.100 0.028 0.000 0.915 2219 P CB 0.323 32.013 31.700 -0.017 0.000 0.788 2220 K N -0.361 120.082 120.400 0.072 0.000 2.103 2220 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 2220 K C 2.073 178.792 176.600 0.198 0.000 1.048 2220 K CA 1.148 57.503 56.287 0.113 0.000 0.930 2220 K CB -1.309 31.237 32.500 0.076 0.000 0.716 2220 K HN 0.038 nan 8.250 nan 0.000 0.444 2221 L N 0.377 121.701 121.223 0.167 0.000 2.093 2221 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 2221 L C 1.692 178.858 176.870 0.494 0.000 1.085 2221 L CA 1.918 56.913 54.840 0.257 0.000 0.755 2221 L CB -0.455 41.683 42.059 0.131 0.000 0.904 2221 L HN 0.299 nan 8.230 nan 0.000 0.435 2222 D N -0.176 120.450 120.400 0.376 0.000 2.097 2222 D HA -0.258 4.382 4.640 -0.000 0.000 0.197 2222 D C 2.049 178.627 176.300 0.462 0.000 0.984 2222 D CA 1.439 55.729 54.000 0.484 0.000 0.826 2222 D CB 0.125 41.134 40.800 0.348 0.000 0.973 2222 D HN 0.322 nan 8.370 nan 0.000 0.460 2223 E N -0.824 119.546 120.200 0.283 0.000 2.033 2223 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 2223 E C 2.114 178.872 176.600 0.263 0.000 1.011 2223 E CA 1.299 57.807 56.400 0.180 0.000 0.815 2223 E CB -0.552 29.231 29.700 0.139 0.000 0.755 2223 E HN 0.469 nan 8.360 nan 0.000 0.451 2224 W N 0.456 121.864 121.300 0.179 0.000 2.304 2224 W HA -0.283 4.377 4.660 -0.000 0.000 0.315 2224 W C 1.991 178.635 176.519 0.209 0.000 1.233 2224 W CA 2.274 59.720 57.345 0.169 0.000 1.261 2224 W CB -0.753 28.806 29.460 0.164 0.000 1.150 2224 W HN 0.184 nan 8.180 nan 0.000 0.494 2225 F N -0.792 119.348 119.950 0.318 0.000 2.134 2225 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 2225 F C 2.498 178.284 175.800 -0.023 0.000 1.097 2225 F CA 2.226 60.323 58.000 0.162 0.000 1.264 2225 F CB -1.007 38.398 39.000 0.675 0.000 1.001 2225 F HN 0.032 nan 8.300 nan 0.000 0.479 2226 Y N 0.222 120.521 120.300 -0.002 0.000 2.224 2226 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 2226 Y C 1.784 177.476 175.900 -0.346 0.000 1.146 2226 Y CA 1.649 59.441 58.100 -0.513 0.000 1.182 2226 Y CB -0.307 37.388 38.460 -1.275 0.000 0.983 2226 Y HN 0.013 nan 8.280 nan 0.000 0.524 2227 L N -0.638 120.376 121.223 -0.348 0.000 2.341 2227 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 2227 L C 2.202 178.820 176.870 -0.419 0.000 1.115 2227 L CA 0.808 55.407 54.840 -0.403 0.000 0.820 2227 L CB -0.302 41.642 42.059 -0.191 0.000 0.944 2227 L HN 0.347 nan 8.230 nan 0.000 0.452 2228 A N -2.306 120.173 122.820 -0.568 0.000 2.324 2228 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 2228 A C 0.988 178.296 177.584 -0.460 0.000 1.209 2228 A CA 0.018 51.706 52.037 -0.582 0.000 0.918 2228 A CB 0.118 18.540 19.000 -0.963 0.000 0.959 2228 A HN 0.429 nan 8.150 nan 0.000 0.507 2229 C N -0.375 118.692 119.300 -0.389 0.000 3.202 2229 C HA 0.304 4.764 4.460 -0.000 0.000 0.237 2229 C C -1.816 173.167 174.990 -0.012 0.000 2.183 2229 C CA -0.603 58.305 59.018 -0.182 0.000 1.352 2229 C CB 0.114 27.718 27.740 -0.227 0.000 2.502 2229 C HN 0.325 nan 8.230 nan 0.000 0.524 2230 P HA -0.190 nan 4.420 nan 0.000 0.218 2230 P C 1.642 178.981 177.300 0.066 0.000 1.146 2230 P CA 2.014 65.069 63.100 -0.075 0.000 0.820 2230 P CB 0.234 31.792 31.700 -0.236 0.000 0.778 2231 A N -1.378 121.460 122.820 0.030 0.000 1.972 2231 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 2231 A C 2.018 179.640 177.584 0.063 0.000 1.169 2231 A CA 2.234 54.297 52.037 0.042 0.000 0.635 2231 A CB -1.377 17.638 19.000 0.025 0.000 0.810 2231 A HN 0.203 nan 8.150 nan 0.000 0.446 2232 T N -3.167 111.453 114.554 0.110 0.000 3.023 2232 T HA -0.021 4.329 4.350 -0.000 0.000 0.249 2232 T C 1.355 176.000 174.700 -0.092 0.000 1.050 2232 T CA 0.469 62.615 62.100 0.078 0.000 1.088 2232 T CB -0.238 68.770 68.868 0.234 0.000 0.946 2232 T HN 0.687 nan 8.240 nan 0.000 0.480 2233 W N 2.682 123.890 121.300 -0.155 0.000 2.363 2233 W HA 0.045 4.704 4.660 -0.000 0.000 0.296 2233 W C 2.125 178.471 176.519 -0.289 0.000 1.212 2233 W CA 1.304 58.414 57.345 -0.391 0.000 1.260 2233 W CB -0.423 29.055 29.460 0.029 0.000 1.131 2233 W HN 0.234 nan 8.180 nan 0.000 0.530 2234 G N 0.113 108.923 108.800 0.016 0.000 2.813 2234 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.209 2234 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.209 2234 G C 1.450 176.249 174.900 -0.169 0.000 1.150 2234 G CA 0.377 45.422 45.100 -0.093 0.000 0.785 2234 G HN 0.262 nan 8.290 nan 0.000 0.535 2235 K N 0.158 120.453 120.400 -0.176 0.000 2.209 2235 K HA 0.086 4.406 4.320 -0.000 0.000 0.204 2235 K C 0.976 177.479 176.600 -0.162 0.000 1.048 2235 K CA 0.700 56.910 56.287 -0.128 0.000 0.940 2235 K CB -0.127 32.313 32.500 -0.101 0.000 0.729 2235 K HN 0.342 nan 8.250 nan 0.000 0.451 2236 L N 1.289 122.346 121.223 -0.278 0.000 3.288 2236 L HA 0.295 4.635 4.340 -0.000 0.000 0.293 2236 L C -0.510 176.151 176.870 -0.348 0.000 1.294 2236 L CA -0.509 54.193 54.840 -0.231 0.000 1.006 2236 L CB 0.307 42.289 42.059 -0.128 0.000 1.407 2236 L HN 0.035 nan 8.230 nan 0.000 0.592 2237 N N 0.000 118.438 118.700 -0.436 0.000 1.763 2237 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 2237 N CA 0.000 52.722 53.050 -0.546 0.000 0.885 2237 N CB 0.000 37.639 38.487 -1.414 0.000 1.341 2237 N HN 0.000 nan 8.380 nan 0.000 0.667