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 1rxs_1_j DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL 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 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.590 174.600 -0.017 0.000 1.055 2004 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 2004 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 2005 D N 1.374 121.771 120.400 -0.005 0.000 2.346 2005 D HA 0.158 4.798 4.640 -0.000 0.000 0.206 2005 D C 0.988 177.303 176.300 0.024 0.000 1.001 2005 D CA 1.329 55.336 54.000 0.011 0.000 0.871 2005 D CB 0.549 41.357 40.800 0.013 0.000 0.943 2005 D HN 0.595 nan 8.370 nan 0.000 0.518 2006 V N -2.273 117.650 119.914 0.015 0.000 2.960 2006 V HA 0.392 4.512 4.120 -0.000 0.000 0.315 2006 V C 0.774 176.886 176.094 0.029 0.000 1.087 2006 V CA -1.034 61.291 62.300 0.043 0.000 0.982 2006 V CB 1.752 33.595 31.823 0.034 0.000 1.039 2006 V HN -0.103 nan 8.190 nan 0.000 0.437 2007 F N 0.641 120.546 119.950 -0.076 0.000 2.325 2007 F HA 0.076 4.603 4.527 -0.000 0.000 0.299 2007 F C 1.804 177.408 175.800 -0.327 0.000 1.090 2007 F CA 2.076 59.957 58.000 -0.198 0.000 1.392 2007 F CB 0.207 39.068 39.000 -0.232 0.000 1.053 2007 F HN 0.828 nan 8.300 nan 0.000 0.521 2008 H N -1.374 117.592 119.070 -0.173 0.000 2.501 2008 H HA 0.238 4.794 4.556 -0.000 0.000 0.281 2008 H C 1.899 177.121 175.328 -0.176 0.000 0.988 2008 H CA 0.771 56.688 56.048 -0.218 0.000 1.232 2008 H CB -0.065 29.611 29.762 -0.142 0.000 1.455 2008 H HN 0.077 nan 8.280 nan 0.000 0.501 2009 L N -0.009 121.178 121.223 -0.060 0.000 2.395 2009 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 2009 L C 1.010 177.937 176.870 0.095 0.000 1.130 2009 L CA 0.619 55.464 54.840 0.007 0.000 0.826 2009 L CB -0.294 41.740 42.059 -0.041 0.000 0.941 2009 L HN 0.512 nan 8.230 nan 0.000 0.451 2010 G N 1.425 110.190 108.800 -0.059 0.000 2.338 2010 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.296 2010 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.296 2010 G C -0.192 174.730 174.900 0.038 0.000 1.040 2010 G CA 0.166 45.224 45.100 -0.069 0.000 1.004 2010 G HN 0.264 nan 8.290 nan 0.000 0.509 2011 L N -0.422 120.810 121.223 0.015 0.000 2.323 2011 L HA 0.873 5.213 4.340 -0.000 0.000 0.265 2011 L C 0.730 177.604 176.870 0.007 0.000 1.012 2011 L CA -0.663 54.189 54.840 0.020 0.000 0.820 2011 L CB 2.388 44.464 42.059 0.029 0.000 1.334 2011 L HN 0.354 nan 8.230 nan 0.000 0.427 2012 T N -3.748 110.809 114.554 0.006 0.000 2.942 2012 T HA 0.329 4.679 4.350 -0.000 0.000 0.289 2012 T C 0.697 175.401 174.700 0.006 0.000 1.044 2012 T CA -0.880 61.222 62.100 0.004 0.000 1.023 2012 T CB 2.127 70.995 68.868 0.000 0.000 1.123 2012 T HN 0.471 nan 8.240 nan 0.000 0.512 2013 K N 0.608 121.012 120.400 0.007 0.000 2.089 2013 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 2013 K C 1.928 178.529 176.600 0.002 0.000 1.048 2013 K CA 1.511 57.801 56.287 0.007 0.000 0.926 2013 K CB -0.412 32.092 32.500 0.007 0.000 0.714 2013 K HN 0.683 nan 8.250 nan 0.000 0.448 2014 N N 0.934 119.635 118.700 0.000 0.000 2.244 2014 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 2014 N C 1.065 176.572 175.510 -0.005 0.000 1.016 2014 N CA 0.969 54.018 53.050 -0.003 0.000 0.866 2014 N CB 0.043 38.528 38.487 -0.004 0.000 0.980 2014 N HN 0.173 nan 8.380 nan 0.000 0.430 2015 D N 0.766 121.163 120.400 -0.005 0.000 2.182 2015 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 2015 D C 1.809 178.106 176.300 -0.005 0.000 0.986 2015 D CA 0.659 54.654 54.000 -0.008 0.000 0.847 2015 D CB 0.002 40.798 40.800 -0.006 0.000 0.942 2015 D HN 0.254 nan 8.370 nan 0.000 0.467 2016 L N 0.039 121.262 121.223 -0.001 0.000 2.313 2016 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 2016 L C 0.864 177.732 176.870 -0.004 0.000 1.119 2016 L CA 0.665 55.504 54.840 -0.000 0.000 0.809 2016 L CB -0.318 41.739 42.059 -0.002 0.000 0.933 2016 L HN 0.001 nan 8.230 nan 0.000 0.449 2017 Q N -0.462 119.336 119.800 -0.005 0.000 2.468 2017 Q HA -0.270 4.070 4.340 -0.000 0.000 0.289 2017 Q C 1.059 177.055 176.000 -0.006 0.000 1.299 2017 Q CA 0.352 56.152 55.803 -0.005 0.000 0.838 2017 Q CB -1.627 27.108 28.738 -0.004 0.000 1.195 2017 Q HN 0.637 nan 8.270 nan 0.000 0.456 2018 G N -2.237 106.558 108.800 -0.008 0.000 2.179 2018 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 2018 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 2018 G C 0.281 175.170 174.900 -0.019 0.000 0.977 2018 G CA 0.163 45.256 45.100 -0.011 0.000 0.641 2018 G HN 1.205 nan 8.290 nan 0.000 0.533 2019 A N 0.289 123.097 122.820 -0.021 0.000 2.565 2019 A HA 0.560 4.880 4.320 -0.000 0.000 0.237 2019 A C 1.475 179.027 177.584 -0.053 0.000 1.053 2019 A CA 1.945 53.962 52.037 -0.034 0.000 0.755 2019 A CB 0.190 19.172 19.000 -0.029 0.000 0.980 2019 A HN 1.724 nan 8.150 nan 0.000 0.506 2020 T N -0.022 114.488 114.554 -0.074 0.000 3.058 2020 T HA 0.415 4.765 4.350 -0.000 0.000 0.278 2020 T C -0.010 174.584 174.700 -0.176 0.000 0.974 2020 T CA 0.057 62.094 62.100 -0.105 0.000 0.893 2020 T CB -0.503 68.322 68.868 -0.072 0.000 1.138 2020 T HN 0.601 nan 8.240 nan 0.000 0.529 2021 L N 1.698 122.820 121.223 -0.167 0.000 2.385 2021 L HA 0.881 5.221 4.340 -0.000 0.000 0.273 2021 L C -1.367 175.382 176.870 -0.201 0.000 0.990 2021 L CA -0.968 53.745 54.840 -0.211 0.000 0.821 2021 L CB 1.839 43.823 42.059 -0.125 0.000 1.279 2021 L HN 0.210 nan 8.230 nan 0.000 0.412 2022 A N 5.782 128.431 122.820 -0.284 0.000 2.343 2022 A HA 0.682 5.002 4.320 -0.000 0.000 0.316 2022 A C -0.867 176.693 177.584 -0.040 0.000 1.104 2022 A CA -0.536 51.417 52.037 -0.139 0.000 0.768 2022 A CB 0.973 19.895 19.000 -0.129 0.000 1.213 2022 A HN 0.691 nan 8.150 nan 0.000 0.456 2023 I N 2.819 123.396 120.570 0.011 0.000 2.337 2023 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 2023 I C 0.034 176.198 176.117 0.079 0.000 1.046 2023 I CA -0.328 60.996 61.300 0.040 0.000 1.324 2023 I CB 1.501 39.513 38.000 0.021 0.000 1.409 2023 I HN 0.457 nan 8.210 nan 0.000 0.494 2024 V N 6.410 126.390 119.914 0.110 0.000 2.239 2024 V HA 0.504 4.624 4.120 -0.000 0.000 0.267 2024 V C -2.398 173.748 176.094 0.085 0.000 1.056 2024 V CA -1.903 60.472 62.300 0.126 0.000 0.830 2024 V CB 0.135 32.068 31.823 0.184 0.000 1.090 2024 V HN 0.454 nan 8.190 nan 0.000 0.459 2025 P HA 0.307 nan 4.420 nan 0.000 0.276 2025 P C 0.915 178.241 177.300 0.044 0.000 1.261 2025 P CA 0.248 63.372 63.100 0.040 0.000 0.800 2025 P CB 1.714 33.426 31.700 0.020 0.000 1.066 2026 G N -0.628 108.187 108.800 0.026 0.000 2.492 2026 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 2026 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 2026 G C 0.196 175.096 174.900 0.000 0.000 1.147 2026 G CA 0.378 45.489 45.100 0.018 0.000 0.809 2026 G HN 0.520 nan 8.290 nan 0.000 0.533 2027 D N 0.254 120.650 120.400 -0.006 0.000 2.274 2027 D HA 0.306 4.946 4.640 -0.000 0.000 0.239 2027 D C -1.275 175.018 176.300 -0.013 0.000 1.104 2027 D CA -2.548 51.439 54.000 -0.021 0.000 0.840 2027 D CB 2.167 42.950 40.800 -0.027 0.000 1.100 2027 D HN -0.080 nan 8.370 nan 0.000 0.477 2028 P HA -0.140 nan 4.420 nan 0.000 0.216 2028 P C 0.520 177.821 177.300 0.003 0.000 1.150 2028 P CA 1.046 64.151 63.100 0.010 0.000 0.843 2028 P CB 0.311 32.010 31.700 -0.002 0.000 0.787 2029 D N -0.857 119.532 120.400 -0.017 0.000 2.350 2029 D HA -0.121 4.519 4.640 -0.000 0.000 0.216 2029 D C 1.882 178.146 176.300 -0.060 0.000 0.968 2029 D CA 0.681 54.663 54.000 -0.030 0.000 0.894 2029 D CB -0.168 40.614 40.800 -0.029 0.000 0.909 2029 D HN 0.367 nan 8.370 nan 0.000 0.520 2030 R N 0.347 120.812 120.500 -0.059 0.000 2.362 2030 R HA 0.096 4.436 4.340 -0.000 0.000 0.227 2030 R C 1.499 177.729 176.300 -0.117 0.000 0.905 2030 R CA 0.143 56.196 56.100 -0.080 0.000 1.067 2030 R CB -0.008 30.261 30.300 -0.052 0.000 1.078 2030 R HN -0.158 nan 8.270 nan 0.000 0.516 2031 V N 1.637 121.481 119.914 -0.117 0.000 2.261 2031 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 2031 V C 2.380 178.211 176.094 -0.438 0.000 1.047 2031 V CA 2.354 64.558 62.300 -0.160 0.000 1.015 2031 V CB -0.575 31.233 31.823 -0.026 0.000 0.642 2031 V HN 0.578 nan 8.190 nan 0.000 0.446 2032 E N 0.347 120.134 120.200 -0.688 0.000 2.070 2032 E HA -0.328 4.022 4.350 -0.000 0.000 0.197 2032 E C 2.177 178.378 176.600 -0.666 0.000 1.004 2032 E CA 1.908 57.600 56.400 -1.180 0.000 0.805 2032 E CB -0.150 29.019 29.700 -0.886 0.000 0.744 2032 E HN 0.495 nan 8.360 nan 0.000 0.451 2033 K N 0.205 120.379 120.400 -0.376 0.000 2.063 2033 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 2033 K C 2.043 178.527 176.600 -0.194 0.000 1.048 2033 K CA 1.690 57.838 56.287 -0.232 0.000 0.928 2033 K CB -0.130 32.280 32.500 -0.150 0.000 0.713 2033 K HN 0.248 nan 8.250 nan 0.000 0.442 2034 I N -0.076 120.383 120.570 -0.185 0.000 2.233 2034 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 2034 I C 2.265 178.308 176.117 -0.124 0.000 1.093 2034 I CA 1.016 62.243 61.300 -0.120 0.000 1.380 2034 I CB -0.330 37.619 38.000 -0.084 0.000 1.067 2034 I HN 0.160 nan 8.210 nan 0.000 0.413 2035 A N 0.906 123.614 122.820 -0.187 0.000 1.917 2035 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 2035 A C 2.461 179.983 177.584 -0.103 0.000 1.182 2035 A CA 1.948 53.912 52.037 -0.121 0.000 0.633 2035 A CB -0.890 18.026 19.000 -0.140 0.000 0.819 2035 A HN 0.448 nan 8.150 nan 0.000 0.448 2036 A N -0.713 121.996 122.820 -0.184 0.000 2.178 2036 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 2036 A C 1.873 179.421 177.584 -0.060 0.000 1.157 2036 A CA 1.197 53.165 52.037 -0.115 0.000 0.689 2036 A CB -0.531 18.378 19.000 -0.151 0.000 0.787 2036 A HN 0.501 nan 8.150 nan 0.000 0.465 2037 L N -1.521 119.668 121.223 -0.058 0.000 2.558 2037 L HA 0.136 4.476 4.340 -0.000 0.000 0.225 2037 L C 1.136 177.996 176.870 -0.017 0.000 1.128 2037 L CA -0.014 54.807 54.840 -0.033 0.000 0.868 2037 L CB -0.267 41.773 42.059 -0.032 0.000 1.006 2037 L HN 0.423 nan 8.230 nan 0.000 0.454 2038 M N -1.564 118.030 119.600 -0.010 0.000 2.799 2038 M HA 0.297 4.777 4.480 -0.000 0.000 0.274 2038 M C -0.636 175.675 176.300 0.018 0.000 1.137 2038 M CA -0.771 54.533 55.300 0.006 0.000 0.897 2038 M CB 0.999 33.606 32.600 0.012 0.000 1.567 2038 M HN -0.177 nan 8.290 nan 0.000 0.536 2039 D N 1.253 121.668 120.400 0.024 0.000 2.225 2039 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 2039 D C -0.521 175.807 176.300 0.047 0.000 1.052 2039 D CA -0.121 53.897 54.000 0.030 0.000 0.909 2039 D CB 0.866 41.678 40.800 0.021 0.000 1.186 2039 D HN 0.438 nan 8.370 nan 0.000 0.431 2040 K N -0.304 120.127 120.400 0.052 0.000 3.278 2040 K HA -0.131 4.189 4.320 -0.000 0.000 0.270 2040 K C -2.317 174.344 176.600 0.103 0.000 0.955 2040 K CA 0.106 56.431 56.287 0.063 0.000 0.723 2040 K CB -1.576 30.948 32.500 0.041 0.000 1.382 2040 K HN 0.395 nan 8.250 nan 0.000 0.461 2041 P HA 0.149 nan 4.420 nan 0.000 0.271 2041 P C -0.246 177.261 177.300 0.345 0.000 1.216 2041 P CA -0.060 63.227 63.100 0.310 0.000 0.771 2041 P CB 1.197 33.088 31.700 0.317 0.000 0.864 2042 V N 3.921 123.989 119.914 0.257 0.000 2.668 2042 V HA 0.236 4.356 4.120 -0.000 0.000 0.304 2042 V C 0.317 176.007 176.094 -0.673 0.000 1.071 2042 V CA -0.874 61.321 62.300 -0.174 0.000 0.894 2042 V CB 2.218 33.980 31.823 -0.101 0.000 1.008 2042 V HN 0.503 nan 8.190 nan 0.000 0.425 2043 K N 3.651 123.159 120.400 -1.486 0.000 2.368 2043 K HA 0.390 4.710 4.320 -0.000 0.000 0.282 2043 K C 0.207 176.396 176.600 -0.685 0.000 1.035 2043 K CA -0.162 55.104 56.287 -1.701 0.000 0.973 2043 K CB 0.799 32.403 32.500 -1.493 0.000 0.957 2043 K HN 0.642 nan 8.250 nan 0.000 0.474 2044 L N 2.466 123.422 121.223 -0.444 0.000 2.349 2044 L HA 0.304 4.644 4.340 -0.000 0.000 0.200 2044 L C 0.408 177.196 176.870 -0.137 0.000 1.064 2044 L CA 0.121 54.840 54.840 -0.200 0.000 0.821 2044 L CB 0.469 42.475 42.059 -0.090 0.000 1.027 2044 L HN 0.743 nan 8.230 nan 0.000 0.476 2045 A N -1.123 121.628 122.820 -0.115 0.000 2.597 2045 A HA 0.608 4.928 4.320 -0.000 0.000 0.292 2045 A C -1.215 176.323 177.584 -0.077 0.000 1.057 2045 A CA -0.282 51.716 52.037 -0.065 0.000 0.674 2045 A CB 1.694 20.743 19.000 0.082 0.000 1.278 2045 A HN -0.145 nan 8.150 nan 0.000 0.416 2046 S N 0.776 116.325 115.700 -0.251 0.000 2.750 2046 S HA 0.653 5.123 4.470 -0.000 0.000 0.276 2046 S C -1.737 172.565 174.600 -0.497 0.000 1.165 2046 S CA -0.472 57.603 58.200 -0.208 0.000 1.047 2046 S CB 0.361 63.489 63.200 -0.120 0.000 1.056 2046 S HN 0.737 nan 8.310 nan 0.000 0.481 2047 H N 3.441 122.578 119.070 0.112 0.000 2.856 2047 H HA 0.518 5.074 4.556 -0.000 0.000 0.355 2047 H C 0.502 175.907 175.328 0.128 0.000 1.079 2047 H CA -0.467 55.646 56.048 0.109 0.000 1.240 2047 H CB 1.593 31.424 29.762 0.115 0.000 1.701 2047 H HN 0.779 nan 8.280 nan 0.000 0.527 2048 R N 0.471 121.057 120.500 0.144 0.000 3.835 2048 R HA -0.231 4.109 4.340 -0.000 0.000 0.455 2048 R C 1.114 177.326 176.300 -0.147 0.000 0.241 2048 R CA 1.884 57.982 56.100 -0.002 0.000 1.439 2048 R CB -0.725 29.582 30.300 0.012 0.000 0.987 2048 R HN 0.761 nan 8.270 nan 0.000 0.570 2049 E N 1.774 121.711 120.200 -0.437 0.000 2.476 2049 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 2049 E C -0.323 176.039 176.600 -0.395 0.000 1.064 2049 E CA 0.622 56.764 56.400 -0.430 0.000 0.866 2049 E CB 0.134 29.545 29.700 -0.482 0.000 0.952 2049 E HN 0.298 nan 8.360 nan 0.000 0.492 2050 F N 1.594 121.586 119.950 0.070 0.000 2.313 2050 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 2050 F C 0.218 176.071 175.800 0.088 0.000 1.109 2050 F CA -0.608 57.443 58.000 0.085 0.000 1.132 2050 F CB 1.557 40.622 39.000 0.107 0.000 1.291 2050 F HN -0.332 nan 8.300 nan 0.000 0.496 2051 T N 2.068 116.762 114.554 0.232 0.000 2.797 2051 T HA 0.546 4.896 4.350 -0.000 0.000 0.279 2051 T C -0.165 174.687 174.700 0.254 0.000 0.991 2051 T CA -0.498 61.725 62.100 0.206 0.000 0.979 2051 T CB 1.196 70.171 68.868 0.178 0.000 0.943 2051 T HN 0.411 nan 8.240 nan 0.000 0.444 2052 T N 3.407 118.107 114.554 0.243 0.000 2.841 2052 T HA 0.491 4.841 4.350 -0.000 0.000 0.285 2052 T C -1.174 173.678 174.700 0.254 0.000 0.991 2052 T CA -0.625 61.614 62.100 0.232 0.000 0.966 2052 T CB 0.718 69.669 68.868 0.140 0.000 0.962 2052 T HN 0.443 nan 8.240 nan 0.000 0.438 2053 W N 1.816 123.133 121.300 0.028 0.000 2.706 2053 W HA 0.677 5.337 4.660 -0.000 0.000 0.346 2053 W C 0.244 176.771 176.519 0.013 0.000 1.071 2053 W CA -1.108 56.247 57.345 0.016 0.000 1.206 2053 W CB 1.239 30.706 29.460 0.012 0.000 1.413 2053 W HN 0.373 nan 8.180 nan 0.000 0.542 2054 R N 1.567 122.190 120.500 0.204 0.000 2.589 2054 R HA 0.862 5.202 4.340 -0.000 0.000 0.293 2054 R C -0.693 175.700 176.300 0.155 0.000 0.963 2054 R CA -0.357 55.820 56.100 0.129 0.000 0.905 2054 R CB 1.428 31.759 30.300 0.051 0.000 1.144 2054 R HN 0.650 nan 8.270 nan 0.000 0.459 2055 A N 2.583 125.470 122.820 0.111 0.000 2.524 2055 A HA 0.495 4.815 4.320 -0.000 0.000 0.289 2055 A C -1.515 176.099 177.584 0.051 0.000 1.248 2055 A CA -0.688 51.406 52.037 0.094 0.000 0.712 2055 A CB 1.729 20.786 19.000 0.095 0.000 1.312 2055 A HN 0.723 nan 8.150 nan 0.000 0.441 2056 E N -0.534 119.689 120.200 0.039 0.000 2.222 2056 E HA 0.578 4.928 4.350 -0.000 0.000 0.267 2056 E C -2.196 174.412 176.600 0.014 0.000 0.884 2056 E CA -0.585 55.828 56.400 0.022 0.000 0.764 2056 E CB 1.824 31.536 29.700 0.020 0.000 1.169 2056 E HN 0.443 nan 8.360 nan 0.000 0.413 2057 L N 4.362 125.588 121.223 0.006 0.000 2.404 2057 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 2057 L C -1.196 175.672 176.870 -0.003 0.000 0.980 2057 L CA -0.140 54.700 54.840 0.000 0.000 0.836 2057 L CB 1.464 43.520 42.059 -0.004 0.000 1.238 2057 L HN 0.621 nan 8.230 nan 0.000 0.408 2058 D N 4.572 124.970 120.400 -0.003 0.000 2.686 2058 D HA -0.204 4.436 4.640 -0.000 0.000 0.235 2058 D C 1.192 177.490 176.300 -0.003 0.000 1.160 2058 D CA 1.562 55.560 54.000 -0.004 0.000 0.645 2058 D CB -0.896 39.900 40.800 -0.007 0.000 1.039 2058 D HN 1.192 nan 8.370 nan 0.000 0.423 2059 G N -0.905 107.895 108.800 -0.000 0.000 2.168 2059 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.263 2059 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.263 2059 G C 0.239 175.138 174.900 -0.001 0.000 0.977 2059 G CA 0.761 45.861 45.100 0.000 0.000 0.659 2059 G HN 0.415 nan 8.290 nan 0.000 0.533 2060 K N 0.992 121.390 120.400 -0.003 0.000 2.221 2060 K HA 0.456 4.776 4.320 -0.000 0.000 0.258 2060 K C -2.622 173.976 176.600 -0.003 0.000 0.944 2060 K CA -2.015 54.269 56.287 -0.005 0.000 0.823 2060 K CB 2.657 35.150 32.500 -0.011 0.000 1.113 2060 K HN 0.075 nan 8.250 nan 0.000 0.431 2061 P HA 0.135 nan 4.420 nan 0.000 0.271 2061 P C -0.515 176.782 177.300 -0.006 0.000 1.216 2061 P CA -0.270 62.831 63.100 0.000 0.000 0.771 2061 P CB 0.828 32.527 31.700 -0.001 0.000 0.864 2062 V N 4.611 124.528 119.914 0.004 0.000 2.841 2062 V HA 0.352 4.472 4.120 -0.000 0.000 0.310 2062 V C 0.081 176.186 176.094 0.018 0.000 1.090 2062 V CA -0.791 61.506 62.300 -0.004 0.000 0.930 2062 V CB 2.526 34.347 31.823 -0.003 0.000 1.014 2062 V HN 0.403 nan 8.190 nan 0.000 0.425 2063 I N 3.808 124.382 120.570 0.006 0.000 2.437 2063 I HA 0.505 4.675 4.170 -0.000 0.000 0.298 2063 I C -0.302 175.850 176.117 0.059 0.000 0.984 2063 I CA -0.506 60.819 61.300 0.041 0.000 1.214 2063 I CB 1.937 39.951 38.000 0.022 0.000 1.365 2063 I HN 0.255 nan 8.210 nan 0.000 0.469 2064 V N 5.458 125.438 119.914 0.109 0.000 2.409 2064 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 2064 V C -0.389 175.794 176.094 0.148 0.000 1.020 2064 V CA -0.484 61.879 62.300 0.105 0.000 0.848 2064 V CB 1.951 33.820 31.823 0.077 0.000 0.990 2064 V HN 0.889 nan 8.190 nan 0.000 0.430 2065 C N 5.225 124.608 119.300 0.139 0.000 2.481 2065 C HA 0.712 5.172 4.460 -0.000 0.000 0.324 2065 C C 0.505 175.600 174.990 0.175 0.000 1.170 2065 C CA -0.422 58.700 59.018 0.173 0.000 1.361 2065 C CB 1.057 28.901 27.740 0.173 0.000 1.977 2065 C HN 1.030 nan 8.230 nan 0.000 0.459 2066 S N 3.312 119.123 115.700 0.185 0.000 2.584 2066 S HA 0.386 4.856 4.470 -0.000 0.000 0.273 2066 S C 0.905 175.641 174.600 0.227 0.000 1.311 2066 S CA 0.382 58.673 58.200 0.152 0.000 1.034 2066 S CB 1.355 64.611 63.200 0.092 0.000 0.939 2066 S HN 1.029 nan 8.310 nan 0.000 0.513 2067 T N -0.851 113.797 114.554 0.157 0.000 3.044 2067 T HA 0.508 4.858 4.350 -0.000 0.000 0.250 2067 T C 1.236 175.977 174.700 0.069 0.000 1.081 2067 T CA 0.237 62.454 62.100 0.196 0.000 1.040 2067 T CB -0.980 67.962 68.868 0.122 0.000 0.962 2067 T HN 1.876 nan 8.240 nan 0.000 0.506 2068 G N 1.671 110.449 108.800 -0.038 0.000 2.796 2068 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.226 2068 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.226 2068 G C -0.518 174.356 174.900 -0.043 0.000 1.381 2068 G CA -0.451 44.587 45.100 -0.104 0.000 0.867 2068 G HN 0.641 nan 8.290 nan 0.000 0.552 2069 I N 2.223 122.762 120.570 -0.052 0.000 2.371 2069 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 2069 I C 1.099 177.208 176.117 -0.014 0.000 1.028 2069 I CA 1.038 62.321 61.300 -0.027 0.000 1.345 2069 I CB 0.448 38.425 38.000 -0.039 0.000 1.407 2069 I HN 1.924 nan 8.210 nan 0.000 0.501 2070 G N 3.934 112.735 108.800 0.002 0.000 2.629 2070 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 2070 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 2070 G C 0.514 175.420 174.900 0.011 0.000 1.232 2070 G CA -0.496 44.607 45.100 0.006 0.000 0.803 2070 G HN 0.892 nan 8.290 nan 0.000 0.638 2071 G N 0.566 109.370 108.800 0.006 0.000 2.529 2071 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.219 2071 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.219 2071 G C 0.156 175.065 174.900 0.015 0.000 1.177 2071 G CA 2.333 47.437 45.100 0.006 0.000 0.773 2071 G HN 0.711 nan 8.290 nan 0.000 0.573 2072 P HA -0.122 nan 4.420 nan 0.000 0.214 2072 P C 2.504 179.836 177.300 0.054 0.000 1.163 2072 P CA 2.536 65.644 63.100 0.012 0.000 0.883 2072 P CB -0.281 31.419 31.700 0.000 0.000 0.788 2073 S N -1.999 113.744 115.700 0.072 0.000 2.402 2073 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 2073 S C 1.950 176.687 174.600 0.229 0.000 1.021 2073 S CA 1.794 60.101 58.200 0.179 0.000 0.974 2073 S CB -1.999 61.248 63.200 0.077 0.000 0.800 2073 S HN 0.085 nan 8.310 nan 0.000 0.484 2074 T N 3.098 117.722 114.554 0.116 0.000 2.684 2074 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 2074 T C 2.334 177.040 174.700 0.010 0.000 1.036 2074 T CA 1.990 64.130 62.100 0.067 0.000 1.148 2074 T CB -0.801 68.074 68.868 0.011 0.000 0.863 2074 T HN 0.808 nan 8.240 nan 0.000 0.436 2075 S N 1.162 116.877 115.700 0.026 0.000 2.399 2075 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 2075 S C 2.075 176.686 174.600 0.018 0.000 1.022 2075 S CA 0.811 59.033 58.200 0.038 0.000 0.983 2075 S CB -0.744 62.572 63.200 0.194 0.000 0.803 2075 S HN 0.512 nan 8.310 nan 0.000 0.480 2076 I N 2.200 122.767 120.570 -0.004 0.000 2.202 2076 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 2076 I C 3.129 179.123 176.117 -0.205 0.000 1.091 2076 I CA 1.079 62.309 61.300 -0.117 0.000 1.368 2076 I CB -0.741 37.107 38.000 -0.253 0.000 1.058 2076 I HN 0.426 nan 8.210 nan 0.000 0.410 2077 A N 0.523 123.221 122.820 -0.203 0.000 1.865 2077 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 2077 A C 2.426 179.964 177.584 -0.076 0.000 1.191 2077 A CA 2.069 53.994 52.037 -0.186 0.000 0.623 2077 A CB -1.090 17.933 19.000 0.038 0.000 0.826 2077 A HN 0.241 nan 8.150 nan 0.000 0.444 2078 V N 0.168 120.000 119.914 -0.136 0.000 2.343 2078 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 2078 V C 2.630 178.625 176.094 -0.164 0.000 1.051 2078 V CA 2.445 64.553 62.300 -0.319 0.000 1.036 2078 V CB -0.764 30.675 31.823 -0.639 0.000 0.654 2078 V HN 0.762 nan 8.190 nan 0.000 0.451 2079 E N 0.887 121.027 120.200 -0.100 0.000 2.051 2079 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 2079 E C 2.086 178.706 176.600 0.033 0.000 0.991 2079 E CA 1.965 58.358 56.400 -0.012 0.000 0.799 2079 E CB -0.249 29.479 29.700 0.045 0.000 0.748 2079 E HN 0.685 nan 8.360 nan 0.000 0.449 2080 E N -0.340 119.870 120.200 0.015 0.000 2.112 2080 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 2080 E C 2.256 178.892 176.600 0.061 0.000 0.979 2080 E CA 0.649 57.068 56.400 0.032 0.000 0.814 2080 E CB -0.055 29.641 29.700 -0.005 0.000 0.762 2080 E HN 0.281 nan 8.360 nan 0.000 0.460 2081 L N 0.807 122.091 121.223 0.102 0.000 2.046 2081 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 2081 L C 2.606 179.592 176.870 0.193 0.000 1.077 2081 L CA 1.052 55.993 54.840 0.169 0.000 0.747 2081 L CB -0.469 41.777 42.059 0.312 0.000 0.896 2081 L HN 0.137 nan 8.230 nan 0.000 0.432 2082 A N -0.484 122.494 122.820 0.263 0.000 1.908 2082 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 2082 A C 2.226 179.878 177.584 0.112 0.000 1.181 2082 A CA 1.690 53.860 52.037 0.222 0.000 0.627 2082 A CB -0.526 18.583 19.000 0.181 0.000 0.818 2082 A HN 0.478 nan 8.150 nan 0.000 0.445 2083 Q N -1.182 118.670 119.800 0.086 0.000 2.135 2083 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 2083 Q C 1.512 177.540 176.000 0.048 0.000 0.981 2083 Q CA 1.091 56.930 55.803 0.059 0.000 0.856 2083 Q CB -0.207 28.563 28.738 0.054 0.000 0.902 2083 Q HN 0.471 nan 8.270 nan 0.000 0.425 2084 L N -1.474 119.779 121.223 0.050 0.000 2.554 2084 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 2084 L C 1.398 178.280 176.870 0.021 0.000 1.137 2084 L CA 1.643 56.502 54.840 0.033 0.000 0.863 2084 L CB -0.111 41.966 42.059 0.031 0.000 0.985 2084 L HN 0.411 nan 8.230 nan 0.000 0.451 2085 G N -1.661 107.154 108.800 0.026 0.000 2.227 2085 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.168 2085 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.168 2085 G C 0.328 175.214 174.900 -0.025 0.000 1.006 2085 G CA -0.498 44.606 45.100 0.006 0.000 0.684 2085 G HN 0.056 nan 8.290 nan 0.000 0.489 2086 I N 1.071 121.615 120.570 -0.043 0.000 2.648 2086 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 2086 I C 1.302 177.316 176.117 -0.172 0.000 1.153 2086 I CA 0.292 61.471 61.300 -0.202 0.000 1.426 2086 I CB 0.983 38.753 38.000 -0.383 0.000 1.381 2086 I HN 0.112 nan 8.210 nan 0.000 0.571 2087 R N 2.668 123.022 120.500 -0.244 0.000 2.556 2087 R HA 0.190 4.530 4.340 -0.000 0.000 0.276 2087 R C -0.339 175.900 176.300 -0.100 0.000 0.931 2087 R CA 0.157 56.213 56.100 -0.073 0.000 1.061 2087 R CB 0.708 30.993 30.300 -0.026 0.000 1.432 2087 R HN 0.548 nan 8.270 nan 0.000 0.547 2088 T N 1.285 115.632 114.554 -0.345 0.000 2.879 2088 T HA 0.563 4.913 4.350 -0.000 0.000 0.290 2088 T C -1.038 173.386 174.700 -0.461 0.000 0.993 2088 T CA -0.291 61.676 62.100 -0.221 0.000 0.975 2088 T CB 1.198 69.992 68.868 -0.124 0.000 0.981 2088 T HN -0.143 nan 8.240 nan 0.000 0.439 2089 F N 2.842 122.788 119.950 -0.006 0.000 2.449 2089 F HA 0.556 5.083 4.527 -0.000 0.000 0.342 2089 F C -0.159 175.638 175.800 -0.005 0.000 1.127 2089 F CA -1.052 56.945 58.000 -0.005 0.000 0.975 2089 F CB 1.267 40.260 39.000 -0.012 0.000 1.146 2089 F HN 0.205 nan 8.300 nan 0.000 0.444 2090 L N 4.497 125.799 121.223 0.131 0.000 2.294 2090 L HA 0.519 4.859 4.340 -0.000 0.000 0.283 2090 L C -0.022 176.900 176.870 0.087 0.000 1.015 2090 L CA -0.657 54.232 54.840 0.083 0.000 0.831 2090 L CB 1.644 43.722 42.059 0.032 0.000 1.217 2090 L HN 0.604 nan 8.230 nan 0.000 0.420 2091 R N 4.300 124.846 120.500 0.077 0.000 2.297 2091 R HA 0.496 4.836 4.340 -0.000 0.000 0.308 2091 R C -1.059 175.264 176.300 0.039 0.000 1.029 2091 R CA -0.500 55.637 56.100 0.061 0.000 0.929 2091 R CB 1.360 31.689 30.300 0.049 0.000 1.046 2091 R HN 0.503 nan 8.270 nan 0.000 0.461 2092 I N 4.212 124.804 120.570 0.035 0.000 2.418 2092 I HA 0.520 4.690 4.170 -0.000 0.000 0.287 2092 I C -0.722 175.409 176.117 0.023 0.000 1.008 2092 I CA -0.070 61.245 61.300 0.024 0.000 1.104 2092 I CB 1.335 39.345 38.000 0.018 0.000 1.264 2092 I HN 0.883 nan 8.210 nan 0.000 0.438 2093 G N 4.612 113.425 108.800 0.022 0.000 2.798 2093 G HA2 0.671 4.631 3.960 -0.000 0.000 0.286 2093 G HA3 0.671 4.631 3.960 -0.000 0.000 0.286 2093 G C -0.895 174.019 174.900 0.024 0.000 1.389 2093 G CA -0.410 44.704 45.100 0.022 0.000 0.894 2093 G HN 0.576 nan 8.290 nan 0.000 0.488 2094 T N -2.684 111.887 114.554 0.027 0.000 2.925 2094 T HA 0.741 5.091 4.350 -0.000 0.000 0.285 2094 T C -0.277 174.449 174.700 0.044 0.000 1.021 2094 T CA -0.588 61.532 62.100 0.033 0.000 1.042 2094 T CB 2.019 70.907 68.868 0.033 0.000 1.037 2094 T HN 0.857 nan 8.240 nan 0.000 0.481 2095 T N -0.176 114.403 114.554 0.042 0.000 2.853 2095 T HA 0.657 5.006 4.350 -0.000 0.000 0.311 2095 T C -0.546 174.175 174.700 0.034 0.000 1.307 2095 T CA -0.434 61.690 62.100 0.040 0.000 1.019 2095 T CB 1.352 70.237 68.868 0.027 0.000 1.264 2095 T HN 1.155 nan 8.240 nan 0.000 0.497 2096 G N 1.536 110.356 108.800 0.033 0.000 2.335 2096 G HA2 0.645 4.605 3.960 -0.000 0.000 0.314 2096 G HA3 0.645 4.605 3.960 -0.000 0.000 0.314 2096 G C -0.003 174.903 174.900 0.011 0.000 1.129 2096 G CA -0.223 44.891 45.100 0.023 0.000 0.912 2096 G HN 0.987 nan 8.290 nan 0.000 0.443 2097 A N 2.184 124.991 122.820 -0.021 0.000 2.425 2097 A HA 0.517 4.837 4.320 -0.000 0.000 0.249 2097 A C 1.084 178.628 177.584 -0.067 0.000 1.084 2097 A CA -0.366 51.629 52.037 -0.071 0.000 0.781 2097 A CB 0.214 19.153 19.000 -0.102 0.000 1.019 2097 A HN 1.306 nan 8.150 nan 0.000 0.490 2098 I N -1.937 118.568 120.570 -0.108 0.000 4.154 2098 I HA 0.253 4.423 4.170 -0.000 0.000 0.334 2098 I C -0.173 175.895 176.117 -0.083 0.000 1.371 2098 I CA -0.311 60.943 61.300 -0.077 0.000 1.110 2098 I CB 0.227 38.161 38.000 -0.110 0.000 1.085 2098 I HN 0.332 nan 8.210 nan 0.000 0.398 2099 Q N 2.681 122.390 119.800 -0.152 0.000 2.256 2099 Q HA 0.393 4.733 4.340 -0.000 0.000 0.257 2099 Q C -1.828 174.060 176.000 -0.187 0.000 0.936 2099 Q CA -2.145 53.556 55.803 -0.170 0.000 0.903 2099 Q CB 1.840 30.387 28.738 -0.319 0.000 1.263 2099 Q HN 0.040 nan 8.270 nan 0.000 0.440 2100 P HA -0.143 nan 4.420 nan 0.000 0.223 2100 P C 0.737 178.029 177.300 -0.013 0.000 1.151 2100 P CA 1.393 64.484 63.100 -0.015 0.000 0.787 2100 P CB 0.151 31.876 31.700 0.043 0.000 0.788 2101 H N -1.286 117.752 119.070 -0.053 0.000 2.548 2101 H HA 0.225 4.781 4.556 -0.000 0.000 0.265 2101 H C 0.625 175.913 175.328 -0.066 0.000 0.969 2101 H CA -0.292 55.730 56.048 -0.043 0.000 1.155 2101 H CB -0.563 29.178 29.762 -0.035 0.000 1.394 2101 H HN 0.120 nan 8.280 nan 0.000 0.570 2102 I N 3.274 123.532 120.570 -0.521 0.000 2.352 2102 I HA 0.054 4.224 4.170 -0.000 0.000 0.290 2102 I C -0.167 175.886 176.117 -0.108 0.000 1.036 2102 I CA -0.408 60.670 61.300 -0.370 0.000 1.336 2102 I CB 0.726 38.409 38.000 -0.529 0.000 1.407 2102 I HN 0.082 nan 8.210 nan 0.000 0.497 2103 N N 5.085 123.794 118.700 0.016 0.000 2.492 2103 N HA 0.304 5.044 4.740 -0.000 0.000 0.289 2103 N C -0.465 175.063 175.510 0.031 0.000 1.133 2103 N CA -0.609 52.459 53.050 0.029 0.000 0.961 2103 N CB 1.976 40.496 38.487 0.055 0.000 1.186 2103 N HN 0.181 nan 8.380 nan 0.000 0.493 2104 V N 0.978 120.904 119.914 0.021 0.000 2.617 2104 V HA 0.199 4.319 4.120 -0.000 0.000 0.304 2104 V C 1.498 177.608 176.094 0.027 0.000 1.040 2104 V CA 1.616 63.929 62.300 0.021 0.000 1.149 2104 V CB 0.159 31.991 31.823 0.014 0.000 0.914 2104 V HN 1.058 nan 8.190 nan 0.000 0.487 2105 G N 3.904 112.722 108.800 0.030 0.000 2.232 2105 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 2105 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 2105 G C 0.010 174.955 174.900 0.076 0.000 0.996 2105 G CA 0.040 45.160 45.100 0.035 0.000 0.626 2105 G HN 0.665 nan 8.290 nan 0.000 0.509 2106 D N 0.123 120.573 120.400 0.084 0.000 2.361 2106 D HA 0.479 5.119 4.640 -0.000 0.000 0.239 2106 D C 0.545 176.901 176.300 0.093 0.000 1.200 2106 D CA 0.182 54.245 54.000 0.106 0.000 0.915 2106 D CB 1.511 42.414 40.800 0.172 0.000 1.170 2106 D HN 0.241 nan 8.370 nan 0.000 0.444 2107 V N 1.947 121.903 119.914 0.070 0.000 2.459 2107 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 2107 V C -0.032 176.094 176.094 0.054 0.000 1.029 2107 V CA -0.717 61.612 62.300 0.049 0.000 0.874 2107 V CB 1.295 33.127 31.823 0.014 0.000 0.985 2107 V HN 0.267 nan 8.190 nan 0.000 0.438 2108 L N 5.264 126.519 121.223 0.054 0.000 2.313 2108 L HA 0.640 4.980 4.340 -0.000 0.000 0.283 2108 L C -0.706 176.182 176.870 0.030 0.000 1.013 2108 L CA -0.787 54.088 54.840 0.059 0.000 0.816 2108 L CB 2.001 44.089 42.059 0.049 0.000 1.236 2108 L HN 0.332 nan 8.230 nan 0.000 0.419 2109 V N 1.885 121.815 119.914 0.027 0.000 2.370 2109 V HA 0.293 4.413 4.120 -0.000 0.000 0.283 2109 V C 0.272 176.375 176.094 0.015 0.000 1.023 2109 V CA -0.408 61.898 62.300 0.011 0.000 0.857 2109 V CB 1.792 33.613 31.823 -0.004 0.000 0.985 2109 V HN 0.733 nan 8.190 nan 0.000 0.443 2110 T N 3.556 118.115 114.554 0.009 0.000 2.749 2110 T HA 0.193 4.543 4.350 -0.000 0.000 0.295 2110 T C 1.347 176.054 174.700 0.011 0.000 0.936 2110 T CA 0.220 62.323 62.100 0.005 0.000 1.060 2110 T CB 1.205 70.072 68.868 -0.001 0.000 0.904 2110 T HN 0.966 nan 8.240 nan 0.000 0.500 2111 T N 0.792 115.356 114.554 0.015 0.000 2.937 2111 T HA 0.464 4.814 4.350 -0.000 0.000 0.260 2111 T C 0.738 175.451 174.700 0.023 0.000 1.051 2111 T CA 0.281 62.398 62.100 0.028 0.000 1.141 2111 T CB 0.166 69.056 68.868 0.037 0.000 0.879 2111 T HN 0.747 nan 8.240 nan 0.000 0.459 2112 A N -0.004 122.819 122.820 0.006 0.000 2.601 2112 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 2112 A C -1.008 176.562 177.584 -0.023 0.000 1.075 2112 A CA -0.844 51.193 52.037 -0.001 0.000 0.671 2112 A CB 1.345 20.342 19.000 -0.005 0.000 1.277 2112 A HN 0.213 nan 8.150 nan 0.000 0.417 2113 S N -0.423 115.261 115.700 -0.026 0.000 2.536 2113 S HA 0.609 5.079 4.470 -0.000 0.000 0.298 2113 S C -0.411 174.139 174.600 -0.085 0.000 1.083 2113 S CA -0.549 57.615 58.200 -0.060 0.000 0.995 2113 S CB 1.699 64.875 63.200 -0.041 0.000 1.058 2113 S HN 0.862 nan 8.310 nan 0.000 0.488 2114 V N 3.045 122.854 119.914 -0.175 0.000 2.508 2114 V HA 0.215 4.335 4.120 -0.000 0.000 0.281 2114 V C 0.497 176.507 176.094 -0.141 0.000 1.041 2114 V CA -0.121 62.035 62.300 -0.240 0.000 1.016 2114 V CB 0.036 31.508 31.823 -0.585 0.000 0.984 2114 V HN 0.693 nan 8.190 nan 0.000 0.478 2115 R N 5.421 125.895 120.500 -0.044 0.000 2.608 2115 R HA 0.336 4.676 4.340 -0.000 0.000 0.277 2115 R C -0.013 176.332 176.300 0.076 0.000 1.341 2115 R CA -0.133 55.984 56.100 0.028 0.000 1.199 2115 R CB 0.082 30.423 30.300 0.068 0.000 1.156 2115 R HN 0.669 nan 8.270 nan 0.000 0.558 2116 L N 2.379 123.653 121.223 0.085 0.000 2.912 2116 L HA 0.153 4.493 4.340 -0.000 0.000 0.240 2116 L C 0.208 177.174 176.870 0.159 0.000 1.262 2116 L CA -0.251 54.710 54.840 0.202 0.000 1.058 2116 L CB -0.648 41.572 42.059 0.269 0.000 1.383 2116 L HN 0.530 nan 8.230 nan 0.000 0.512 2117 D N -1.321 119.143 120.400 0.106 0.000 2.467 2117 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 2117 D C 0.719 177.060 176.300 0.068 0.000 1.038 2117 D CA -0.386 53.656 54.000 0.071 0.000 1.038 2117 D CB 2.073 42.899 40.800 0.043 0.000 1.278 2117 D HN -0.061 nan 8.370 nan 0.000 0.564 2118 G N -0.837 107.979 108.800 0.027 0.000 2.651 2118 G HA2 0.186 4.146 3.960 -0.000 0.000 0.207 2118 G HA3 0.186 4.146 3.960 -0.000 0.000 0.207 2118 G C 1.327 176.170 174.900 -0.096 0.000 1.131 2118 G CA 0.642 45.745 45.100 0.005 0.000 0.816 2118 G HN 0.612 nan 8.290 nan 0.000 0.534 2119 A N 1.749 124.479 122.820 -0.150 0.000 1.930 2119 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 2119 A C 2.702 180.296 177.584 0.017 0.000 1.175 2119 A CA 2.444 54.328 52.037 -0.256 0.000 0.627 2119 A CB -0.771 18.178 19.000 -0.085 0.000 0.815 2119 A HN 0.742 nan 8.150 nan 0.000 0.443 2120 S N 0.340 116.110 115.700 0.116 0.000 2.400 2120 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 2120 S C 1.735 176.467 174.600 0.219 0.000 1.025 2120 S CA 1.583 59.910 58.200 0.212 0.000 0.993 2120 S CB -0.834 62.444 63.200 0.130 0.000 0.808 2120 S HN 0.454 nan 8.310 nan 0.000 0.478 2121 L N 0.716 122.043 121.223 0.173 0.000 2.450 2121 L HA -0.020 4.320 4.340 -0.000 0.000 0.224 2121 L C 2.309 179.283 176.870 0.173 0.000 1.149 2121 L CA 1.142 56.087 54.840 0.175 0.000 0.816 2121 L CB -0.727 41.438 42.059 0.176 0.000 0.932 2121 L HN 0.521 nan 8.230 nan 0.000 0.449 2122 H N -1.999 116.996 119.070 -0.125 0.000 2.548 2122 H HA 0.035 4.591 4.556 -0.000 0.000 0.265 2122 H C 1.291 176.250 175.328 -0.615 0.000 0.969 2122 H CA 0.401 56.221 56.048 -0.379 0.000 1.155 2122 H CB 0.442 29.897 29.762 -0.512 0.000 1.394 2122 H HN 0.329 nan 8.280 nan 0.000 0.570 2123 F N -0.110 119.864 119.950 0.040 0.000 2.667 2123 F HA 0.427 4.954 4.527 -0.000 0.000 0.288 2123 F C 0.875 176.587 175.800 -0.147 0.000 1.086 2123 F CA 0.020 57.983 58.000 -0.062 0.000 1.297 2123 F CB 0.958 39.904 39.000 -0.091 0.000 1.059 2123 F HN -0.045 nan 8.300 nan 0.000 0.624 2124 A N 0.330 123.172 122.820 0.036 0.000 2.574 2124 A HA 0.644 4.964 4.320 -0.000 0.000 0.297 2124 A C -2.783 174.818 177.584 0.028 0.000 1.062 2124 A CA -1.435 50.545 52.037 -0.094 0.000 0.686 2124 A CB 0.712 19.432 19.000 -0.465 0.000 1.285 2124 A HN -0.178 nan 8.150 nan 0.000 0.403 2125 P HA 0.146 nan 4.420 nan 0.000 0.273 2125 P C 0.858 178.238 177.300 0.133 0.000 1.250 2125 P CA -0.347 62.803 63.100 0.083 0.000 0.793 2125 P CB 0.652 32.397 31.700 0.074 0.000 1.011 2126 L N 1.247 122.538 121.223 0.114 0.000 2.127 2126 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 2126 L C 2.186 179.139 176.870 0.139 0.000 1.089 2126 L CA 1.849 56.763 54.840 0.123 0.000 0.757 2126 L CB -1.369 40.748 42.059 0.097 0.000 0.899 2126 L HN 0.449 nan 8.230 nan 0.000 0.434 2127 E N -1.029 119.250 120.200 0.132 0.000 2.409 2127 E HA -0.240 4.110 4.350 -0.000 0.000 0.198 2127 E C 0.743 177.421 176.600 0.131 0.000 1.024 2127 E CA 0.100 56.566 56.400 0.110 0.000 0.861 2127 E CB -0.745 29.008 29.700 0.087 0.000 0.788 2127 E HN 0.444 nan 8.360 nan 0.000 0.521 2128 F N 3.912 123.885 119.950 0.039 0.000 2.412 2128 F HA 0.263 4.790 4.527 -0.000 0.000 0.348 2128 F C -2.098 173.722 175.800 0.033 0.000 1.102 2128 F CA -2.713 55.309 58.000 0.036 0.000 1.196 2128 F CB 0.866 39.894 39.000 0.045 0.000 1.144 2128 F HN -0.190 nan 8.300 nan 0.000 0.541 2129 P HA 0.153 nan 4.420 nan 0.000 0.281 2129 P C -1.168 176.166 177.300 0.057 0.000 1.252 2129 P CA -0.378 62.647 63.100 -0.125 0.000 0.778 2129 P CB 1.294 32.846 31.700 -0.246 0.000 0.895 2130 A N 4.099 126.980 122.820 0.101 0.000 3.048 2130 A HA 0.236 4.556 4.320 -0.000 0.000 0.264 2130 A C 0.329 177.949 177.584 0.060 0.000 1.796 2130 A CA -0.293 51.812 52.037 0.114 0.000 1.445 2130 A CB -1.003 18.040 19.000 0.072 0.000 1.074 2130 A HN 0.475 nan 8.150 nan 0.000 0.621 2131 V N 1.756 121.706 119.914 0.060 0.000 2.481 2131 V HA 0.683 4.803 4.120 -0.000 0.000 0.286 2131 V C 0.653 176.782 176.094 0.059 0.000 1.042 2131 V CA -0.179 62.141 62.300 0.034 0.000 0.928 2131 V CB 1.298 33.116 31.823 -0.007 0.000 0.986 2131 V HN 0.889 nan 8.190 nan 0.000 0.462 2132 A N 4.292 127.144 122.820 0.053 0.000 2.332 2132 A HA 0.398 4.718 4.320 -0.000 0.000 0.258 2132 A C 0.052 177.686 177.584 0.084 0.000 1.087 2132 A CA -0.224 51.849 52.037 0.060 0.000 0.802 2132 A CB 0.188 19.215 19.000 0.044 0.000 1.042 2132 A HN 1.034 nan 8.150 nan 0.000 0.489 2133 D N -0.175 120.275 120.400 0.084 0.000 2.389 2133 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 2133 D C 0.648 177.021 176.300 0.123 0.000 1.128 2133 D CA -0.037 54.028 54.000 0.108 0.000 0.884 2133 D CB 0.190 41.043 40.800 0.089 0.000 1.194 2133 D HN 0.401 nan 8.370 nan 0.000 0.441 2134 F N 2.633 122.592 119.950 0.016 0.000 2.186 2134 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 2134 F C 1.810 177.615 175.800 0.009 0.000 1.090 2134 F CA 1.250 59.256 58.000 0.009 0.000 1.307 2134 F CB 0.193 39.197 39.000 0.006 0.000 1.019 2134 F HN 0.528 nan 8.300 nan 0.000 0.489 2135 E N -0.525 119.647 120.200 -0.048 0.000 2.072 2135 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 2135 E C 2.334 178.841 176.600 -0.156 0.000 0.982 2135 E CA 1.422 57.736 56.400 -0.143 0.000 0.803 2135 E CB -0.422 29.276 29.700 -0.004 0.000 0.755 2135 E HN 0.438 nan 8.360 nan 0.000 0.453 2136 C N 0.563 119.818 119.300 -0.075 0.000 2.413 2136 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 2136 C C 2.880 177.813 174.990 -0.094 0.000 1.236 2136 C CA 1.236 60.219 59.018 -0.058 0.000 1.735 2136 C CB -1.030 26.708 27.740 -0.004 0.000 2.031 2136 C HN 0.510 nan 8.230 nan 0.000 0.474 2137 T N 0.633 115.119 114.554 -0.112 0.000 2.684 2137 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 2137 T C 1.789 176.371 174.700 -0.196 0.000 1.036 2137 T CA 2.258 64.285 62.100 -0.121 0.000 1.148 2137 T CB -0.623 68.195 68.868 -0.083 0.000 0.863 2137 T HN 0.606 nan 8.240 nan 0.000 0.436 2138 T N 2.066 116.400 114.554 -0.367 0.000 2.652 2138 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 2138 T C 2.391 176.970 174.700 -0.201 0.000 1.039 2138 T CA 1.356 63.239 62.100 -0.363 0.000 1.153 2138 T CB -0.697 67.832 68.868 -0.565 0.000 0.863 2138 T HN 0.454 nan 8.240 nan 0.000 0.428 2139 A N 1.124 123.843 122.820 -0.168 0.000 1.917 2139 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 2139 A C 2.337 179.870 177.584 -0.085 0.000 1.182 2139 A CA 1.469 53.443 52.037 -0.106 0.000 0.633 2139 A CB -0.942 18.010 19.000 -0.081 0.000 0.819 2139 A HN 0.493 nan 8.150 nan 0.000 0.448 2140 L N -0.853 120.321 121.223 -0.081 0.000 2.046 2140 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 2140 L C 2.552 179.383 176.870 -0.065 0.000 1.077 2140 L CA 1.088 55.892 54.840 -0.061 0.000 0.747 2140 L CB -0.527 41.504 42.059 -0.046 0.000 0.896 2140 L HN 0.256 nan 8.230 nan 0.000 0.432 2141 V N -0.324 119.544 119.914 -0.077 0.000 2.307 2141 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 2141 V C 2.386 178.438 176.094 -0.070 0.000 1.045 2141 V CA 1.814 64.072 62.300 -0.070 0.000 1.024 2141 V CB -0.305 31.475 31.823 -0.073 0.000 0.651 2141 V HN 0.400 nan 8.190 nan 0.000 0.449 2142 E N -0.187 119.967 120.200 -0.077 0.000 2.106 2142 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 2142 E C 2.276 178.839 176.600 -0.062 0.000 0.984 2142 E CA 1.214 57.574 56.400 -0.067 0.000 0.806 2142 E CB -0.342 29.316 29.700 -0.070 0.000 0.750 2142 E HN 0.576 nan 8.360 nan 0.000 0.458 2143 A N 1.098 123.881 122.820 -0.063 0.000 1.865 2143 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 2143 A C 2.395 179.936 177.584 -0.071 0.000 1.191 2143 A CA 2.037 54.038 52.037 -0.060 0.000 0.623 2143 A CB -0.990 17.978 19.000 -0.054 0.000 0.826 2143 A HN 0.356 nan 8.150 nan 0.000 0.444 2144 A N -0.813 121.961 122.820 -0.077 0.000 1.940 2144 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 2144 A C 2.079 179.603 177.584 -0.100 0.000 1.176 2144 A CA 2.329 54.308 52.037 -0.097 0.000 0.631 2144 A CB -0.397 18.551 19.000 -0.087 0.000 0.814 2144 A HN 0.436 nan 8.150 nan 0.000 0.446 2145 K N 0.389 120.742 120.400 -0.079 0.000 2.057 2145 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 2145 K C 2.382 178.942 176.600 -0.067 0.000 1.049 2145 K CA 1.686 57.932 56.287 -0.069 0.000 0.931 2145 K CB -0.320 32.147 32.500 -0.055 0.000 0.714 2145 K HN 0.606 nan 8.250 nan 0.000 0.440 2146 S N 0.139 115.800 115.700 -0.063 0.000 2.453 2146 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 2146 S C 1.706 176.268 174.600 -0.064 0.000 1.005 2146 S CA 0.893 59.060 58.200 -0.055 0.000 0.949 2146 S CB -0.457 62.716 63.200 -0.046 0.000 0.774 2146 S HN 0.415 nan 8.310 nan 0.000 0.510 2147 I N -2.008 118.508 120.570 -0.090 0.000 3.956 2147 I HA 0.582 4.752 4.170 -0.000 0.000 0.333 2147 I C 1.289 177.316 176.117 -0.149 0.000 1.302 2147 I CA 0.310 61.544 61.300 -0.111 0.000 1.122 2147 I CB -0.212 37.710 38.000 -0.130 0.000 1.013 2147 I HN 0.267 nan 8.210 nan 0.000 0.405 2148 G N 1.387 110.110 108.800 -0.128 0.000 2.160 2148 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 2148 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 2148 G C 0.460 175.270 174.900 -0.149 0.000 1.008 2148 G CA 0.117 45.151 45.100 -0.110 0.000 0.724 2148 G HN 1.021 nan 8.290 nan 0.000 0.514 2149 A N 0.168 122.838 122.820 -0.249 0.000 2.425 2149 A HA 0.680 5.000 4.320 -0.000 0.000 0.249 2149 A C 1.049 178.555 177.584 -0.129 0.000 1.084 2149 A CA 1.047 52.924 52.037 -0.266 0.000 0.781 2149 A CB 0.356 19.113 19.000 -0.404 0.000 1.019 2149 A HN 1.863 nan 8.150 nan 0.000 0.490 2150 T N 1.105 115.618 114.554 -0.068 0.000 2.834 2150 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 2150 T C 0.028 174.625 174.700 -0.173 0.000 0.966 2150 T CA 0.193 62.230 62.100 -0.105 0.000 1.141 2150 T CB -0.227 68.607 68.868 -0.057 0.000 0.905 2150 T HN 0.579 nan 8.240 nan 0.000 0.535 2151 T N 5.129 119.519 114.554 -0.273 0.000 2.861 2151 T HA 0.432 4.782 4.350 -0.000 0.000 0.287 2151 T C -0.929 173.526 174.700 -0.409 0.000 1.003 2151 T CA -0.764 61.185 62.100 -0.252 0.000 0.977 2151 T CB 0.940 69.728 68.868 -0.133 0.000 0.996 2151 T HN 0.726 nan 8.240 nan 0.000 0.448 2152 H N 0.937 120.016 119.070 0.014 0.000 2.524 2152 H HA 0.627 5.183 4.556 -0.000 0.000 0.353 2152 H C -0.897 174.439 175.328 0.013 0.000 1.136 2152 H CA -0.599 55.464 56.048 0.026 0.000 1.193 2152 H CB 1.928 31.710 29.762 0.033 0.000 1.558 2152 H HN 0.259 nan 8.280 nan 0.000 0.515 2153 V N 1.957 121.949 119.914 0.131 0.000 2.487 2153 V HA 0.681 4.801 4.120 -0.000 0.000 0.298 2153 V C 0.502 176.638 176.094 0.069 0.000 1.028 2153 V CA -0.134 62.208 62.300 0.070 0.000 0.860 2153 V CB 1.374 33.221 31.823 0.040 0.000 0.991 2153 V HN 1.122 nan 8.190 nan 0.000 0.427 2154 G N 3.376 112.204 108.800 0.046 0.000 2.452 2154 G HA2 0.347 4.307 3.960 -0.000 0.000 0.224 2154 G HA3 0.347 4.307 3.960 -0.000 0.000 0.224 2154 G C -1.407 173.497 174.900 0.007 0.000 1.208 2154 G CA -0.338 44.781 45.100 0.031 0.000 0.946 2154 G HN 0.519 nan 8.290 nan 0.000 0.481 2155 V N 0.834 120.741 119.914 -0.010 0.000 2.567 2155 V HA 0.678 4.798 4.120 -0.000 0.000 0.289 2155 V C 0.254 176.301 176.094 -0.078 0.000 1.049 2155 V CA -0.023 62.253 62.300 -0.041 0.000 0.969 2155 V CB 1.390 33.187 31.823 -0.043 0.000 0.995 2155 V HN 0.788 nan 8.190 nan 0.000 0.471 2156 T N 3.348 117.842 114.554 -0.100 0.000 2.876 2156 T HA 0.657 5.007 4.350 -0.000 0.000 0.289 2156 T C -0.230 174.354 174.700 -0.194 0.000 1.014 2156 T CA -0.305 61.718 62.100 -0.129 0.000 0.986 2156 T CB 1.662 70.488 68.868 -0.071 0.000 1.021 2156 T HN 0.901 nan 8.240 nan 0.000 0.458 2157 A N 2.172 124.829 122.820 -0.272 0.000 2.260 2157 A HA 0.650 4.970 4.320 -0.000 0.000 0.308 2157 A C 0.281 177.822 177.584 -0.071 0.000 1.254 2157 A CA -0.472 51.366 52.037 -0.332 0.000 0.874 2157 A CB 0.461 19.083 19.000 -0.631 0.000 1.153 2157 A HN 0.626 nan 8.150 nan 0.000 0.527 2158 S N 2.090 117.754 115.700 -0.060 0.000 2.498 2158 S HA 0.529 4.999 4.470 -0.000 0.000 0.324 2158 S C -0.177 174.439 174.600 0.026 0.000 1.071 2158 S CA -0.329 57.872 58.200 0.002 0.000 1.113 2158 S CB 0.421 63.614 63.200 -0.012 0.000 0.976 2158 S HN 0.983 nan 8.310 nan 0.000 0.462 2159 S N 3.463 119.178 115.700 0.024 0.000 2.454 2159 S HA 0.340 4.810 4.470 -0.000 0.000 0.306 2159 S C 0.477 175.060 174.600 -0.027 0.000 1.100 2159 S CA -0.638 57.555 58.200 -0.012 0.000 1.087 2159 S CB 1.133 64.261 63.200 -0.120 0.000 1.019 2159 S HN 0.714 nan 8.310 nan 0.000 0.480 2160 D N 2.350 122.744 120.400 -0.010 0.000 2.351 2160 D HA 0.049 4.689 4.640 -0.000 0.000 0.216 2160 D C 0.845 177.129 176.300 -0.026 0.000 0.968 2160 D CA 1.054 55.050 54.000 -0.007 0.000 0.899 2160 D CB 0.081 40.891 40.800 0.018 0.000 0.907 2160 D HN 0.732 nan 8.370 nan 0.000 0.514 2161 T N -4.071 110.434 114.554 -0.081 0.000 2.906 2161 T HA 0.315 4.665 4.350 -0.000 0.000 0.295 2161 T C 0.449 175.087 174.700 -0.104 0.000 1.075 2161 T CA -0.914 61.150 62.100 -0.059 0.000 1.005 2161 T CB 1.290 70.111 68.868 -0.080 0.000 1.136 2161 T HN -0.108 nan 8.240 nan 0.000 0.498 2162 F N 0.002 119.817 119.950 -0.225 0.000 2.387 2162 F HA 0.220 4.747 4.527 -0.000 0.000 0.294 2162 F C 0.947 176.405 175.800 -0.570 0.000 1.093 2162 F CA 0.570 58.322 58.000 -0.414 0.000 1.420 2162 F CB -0.023 38.686 39.000 -0.485 0.000 1.086 2162 F HN 0.664 nan 8.300 nan 0.000 0.531 2163 Y N 0.972 121.252 120.300 -0.034 0.000 2.380 2163 Y HA 0.143 4.693 4.550 -0.000 0.000 0.255 2163 Y C -0.396 175.333 175.900 -0.285 0.000 1.051 2163 Y CA 0.444 58.469 58.100 -0.125 0.000 1.097 2163 Y CB -2.120 36.345 38.460 0.008 0.000 1.034 2163 Y HN -0.211 nan 8.280 nan 0.000 0.479 2164 P HA -0.106 nan 4.420 nan 0.000 0.216 2164 P C 1.506 178.509 177.300 -0.495 0.000 1.153 2164 P CA 2.252 65.205 63.100 -0.244 0.000 0.848 2164 P CB -0.288 31.327 31.700 -0.142 0.000 0.787 2165 G N -0.260 108.135 108.800 -0.675 0.000 2.559 2165 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 2165 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 2165 G C 1.295 175.757 174.900 -0.731 0.000 1.126 2165 G CA 0.282 44.727 45.100 -1.092 0.000 0.778 2165 G HN 0.386 nan 8.290 nan 0.000 0.543 2166 Q N -0.662 118.688 119.800 -0.751 0.000 2.175 2166 Q HA 0.225 4.565 4.340 -0.000 0.000 0.225 2166 Q C 0.039 175.689 176.000 -0.582 0.000 0.837 2166 Q CA -0.303 54.796 55.803 -1.173 0.000 1.032 2166 Q CB 0.505 28.440 28.738 -1.338 0.000 1.137 2166 Q HN 0.546 nan 8.270 nan 0.000 0.483 2167 E N 1.558 121.544 120.200 -0.356 0.000 2.328 2167 E HA -0.242 4.108 4.350 -0.000 0.000 0.233 2167 E C -0.867 175.547 176.600 -0.310 0.000 1.219 2167 E CA 0.168 56.408 56.400 -0.267 0.000 0.717 2167 E CB -0.340 29.354 29.700 -0.011 0.000 1.210 2167 E HN 0.352 nan 8.360 nan 0.000 0.381 2168 R N -0.194 120.121 120.500 -0.309 0.000 2.308 2168 R HA 0.179 4.519 4.340 -0.000 0.000 0.305 2168 R C 0.402 176.582 176.300 -0.201 0.000 1.053 2168 R CA -0.075 55.943 56.100 -0.138 0.000 0.957 2168 R CB 0.438 30.726 30.300 -0.020 0.000 1.022 2168 R HN 0.192 nan 8.270 nan 0.000 0.461 2169 Y N -0.255 120.081 120.300 0.061 0.000 2.507 2169 Y HA 0.069 4.619 4.550 -0.000 0.000 0.263 2169 Y C 0.220 176.150 175.900 0.049 0.000 1.093 2169 Y CA -0.091 58.038 58.100 0.049 0.000 1.285 2169 Y CB 0.565 39.043 38.460 0.030 0.000 1.115 2169 Y HN 0.487 nan 8.280 nan 0.000 0.533 2170 D N 1.562 122.080 120.400 0.196 0.000 2.541 2170 D HA 0.101 4.741 4.640 -0.000 0.000 0.231 2170 D C 0.208 176.563 176.300 0.090 0.000 1.163 2170 D CA 0.389 54.470 54.000 0.135 0.000 1.077 2170 D CB -0.201 40.684 40.800 0.142 0.000 1.110 2170 D HN 0.233 nan 8.370 nan 0.000 0.499 2171 T N -2.858 111.719 114.554 0.038 0.000 2.838 2171 T HA 0.164 4.514 4.350 -0.000 0.000 0.292 2171 T C 0.899 175.593 174.700 -0.009 0.000 1.113 2171 T CA -0.873 61.198 62.100 -0.048 0.000 1.008 2171 T CB 0.741 69.571 68.868 -0.064 0.000 1.259 2171 T HN 0.079 nan 8.240 nan 0.000 0.520 2172 Y N 1.762 121.991 120.300 -0.119 0.000 2.151 2172 Y HA -0.169 4.381 4.550 -0.000 0.000 0.284 2172 Y C 2.595 178.473 175.900 -0.035 0.000 1.166 2172 Y CA 2.767 60.822 58.100 -0.074 0.000 1.163 2172 Y CB -0.476 37.932 38.460 -0.088 0.000 0.974 2172 Y HN 0.759 nan 8.280 nan 0.000 0.511 2173 S N -1.456 114.141 115.700 -0.171 0.000 2.492 2173 S HA 0.229 4.699 4.470 -0.000 0.000 0.218 2173 S C 1.888 176.430 174.600 -0.096 0.000 1.016 2173 S CA 0.486 58.558 58.200 -0.213 0.000 0.916 2173 S CB -0.344 62.835 63.200 -0.035 0.000 0.791 2173 S HN 0.985 nan 8.310 nan 0.000 0.513 2174 G N 2.129 110.917 108.800 -0.020 0.000 2.186 2174 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.266 2174 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.266 2174 G C 0.067 175.066 174.900 0.165 0.000 0.982 2174 G CA 0.656 45.802 45.100 0.077 0.000 0.670 2174 G HN 0.899 nan 8.290 nan 0.000 0.533 2175 R N -1.333 119.225 120.500 0.097 0.000 2.828 2175 R HA 0.840 5.180 4.340 -0.000 0.000 0.264 2175 R C -0.931 175.394 176.300 0.043 0.000 1.022 2175 R CA -1.082 55.097 56.100 0.132 0.000 1.021 2175 R CB 2.089 32.445 30.300 0.094 0.000 1.163 2175 R HN 0.175 nan 8.270 nan 0.000 0.494 2176 V N 1.593 121.546 119.914 0.065 0.000 2.577 2176 V HA 0.184 4.304 4.120 -0.000 0.000 0.303 2176 V C -0.085 176.071 176.094 0.104 0.000 1.042 2176 V CA -1.090 61.204 62.300 -0.011 0.000 0.872 2176 V CB 1.988 33.690 31.823 -0.202 0.000 0.998 2176 V HN 0.639 nan 8.190 nan 0.000 0.423 2177 V N 6.157 126.151 119.914 0.134 0.000 2.843 2177 V HA -0.034 4.086 4.120 -0.000 0.000 0.305 2177 V C 1.953 178.156 176.094 0.181 0.000 1.120 2177 V CA 1.073 63.475 62.300 0.170 0.000 1.254 2177 V CB 0.691 32.643 31.823 0.216 0.000 0.901 2177 V HN 0.993 nan 8.190 nan 0.000 0.503 2178 R N 3.683 124.262 120.500 0.132 0.000 2.159 2178 R HA -0.296 4.044 4.340 -0.000 0.000 0.252 2178 R C 1.970 178.319 176.300 0.082 0.000 1.144 2178 R CA 2.868 59.026 56.100 0.097 0.000 0.961 2178 R CB -0.652 29.693 30.300 0.076 0.000 0.877 2178 R HN 1.010 nan 8.270 nan 0.000 0.444 2179 H N -1.030 118.029 119.070 -0.018 0.000 2.426 2179 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 2179 H C 1.175 176.320 175.328 -0.304 0.000 1.107 2179 H CA 2.353 58.293 56.048 -0.180 0.000 1.298 2179 H CB -0.176 29.431 29.762 -0.259 0.000 1.377 2179 H HN 0.302 nan 8.280 nan 0.000 0.519 2180 F N -0.119 119.819 119.950 -0.021 0.000 2.695 2180 F HA 0.234 4.761 4.527 0.000 0.000 0.303 2180 F C 0.895 176.661 175.800 -0.055 0.000 1.091 2180 F CA -0.261 57.696 58.000 -0.071 0.000 1.300 2180 F CB 0.326 39.338 39.000 0.020 0.000 1.071 2180 F HN -0.173 nan 8.300 nan 0.000 0.578 2181 K N 0.780 121.245 120.400 0.108 0.000 2.436 2181 K HA 0.208 4.528 4.320 -0.000 0.000 0.282 2181 K C 1.124 177.749 176.600 0.041 0.000 1.044 2181 K CA 0.928 57.285 56.287 0.118 0.000 1.028 2181 K CB 0.080 32.643 32.500 0.106 0.000 0.919 2181 K HN 0.396 nan 8.250 nan 0.000 0.474 2182 G N 1.958 110.802 108.800 0.073 0.000 2.159 2182 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 2182 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 2182 G C 0.876 175.713 174.900 -0.105 0.000 0.977 2182 G CA 0.771 45.867 45.100 -0.006 0.000 0.652 2182 G HN 0.692 nan 8.290 nan 0.000 0.531 2183 S N -0.611 115.029 115.700 -0.101 0.000 2.387 2183 S HA 0.065 4.535 4.470 -0.000 0.000 0.226 2183 S C 2.271 176.674 174.600 -0.329 0.000 1.026 2183 S CA 1.584 59.598 58.200 -0.310 0.000 0.972 2183 S CB -0.290 62.866 63.200 -0.075 0.000 0.814 2183 S HN 0.611 nan 8.310 nan 0.000 0.477 2184 M N 1.665 121.304 119.600 0.064 0.000 2.108 2184 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 2184 M C 2.397 178.718 176.300 0.034 0.000 1.066 2184 M CA 2.239 57.661 55.300 0.203 0.000 1.107 2184 M CB -0.289 32.483 32.600 0.286 0.000 1.356 2184 M HN 0.572 nan 8.290 nan 0.000 0.406 2185 E N -0.205 119.982 120.200 -0.022 0.000 2.150 2185 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 2185 E C 1.793 178.333 176.600 -0.100 0.000 0.985 2185 E CA 1.155 57.532 56.400 -0.039 0.000 0.814 2185 E CB -0.005 29.677 29.700 -0.031 0.000 0.752 2185 E HN 0.535 nan 8.360 nan 0.000 0.466 2186 E N -0.079 119.973 120.200 -0.246 0.000 2.047 2186 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 2186 E C 1.808 178.306 176.600 -0.169 0.000 0.987 2186 E CA 1.254 57.468 56.400 -0.312 0.000 0.799 2186 E CB -0.279 29.078 29.700 -0.572 0.000 0.752 2186 E HN 0.505 nan 8.360 nan 0.000 0.449 2187 W N 1.764 123.052 121.300 -0.020 0.000 2.338 2187 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 2187 W C 2.551 179.028 176.519 -0.069 0.000 1.212 2187 W CA 0.655 57.965 57.345 -0.058 0.000 1.264 2187 W CB -0.266 29.122 29.460 -0.120 0.000 1.142 2187 W HN 0.154 nan 8.180 nan 0.000 0.512 2188 Q N 0.597 120.471 119.800 0.123 0.000 2.084 2188 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 2188 Q C 2.423 178.454 176.000 0.052 0.000 0.978 2188 Q CA 1.512 57.351 55.803 0.061 0.000 0.844 2188 Q CB -0.951 27.806 28.738 0.032 0.000 0.898 2188 Q HN 0.309 nan 8.270 nan 0.000 0.426 2189 A N 1.151 123.992 122.820 0.035 0.000 2.024 2189 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 2189 A C 1.943 179.554 177.584 0.044 0.000 1.164 2189 A CA 1.290 53.341 52.037 0.024 0.000 0.643 2189 A CB -0.435 18.564 19.000 -0.002 0.000 0.806 2189 A HN 0.341 nan 8.150 nan 0.000 0.451 2190 M N -1.408 118.240 119.600 0.081 0.000 2.494 2190 M HA 0.194 4.674 4.480 -0.000 0.000 0.232 2190 M C 1.308 177.657 176.300 0.081 0.000 1.137 2190 M CA 0.719 56.078 55.300 0.098 0.000 1.012 2190 M CB 0.342 33.049 32.600 0.178 0.000 1.567 2190 M HN 0.602 nan 8.290 nan 0.000 0.486 2191 G N 0.446 109.286 108.800 0.067 0.000 2.179 2191 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 2191 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 2191 G C 0.131 175.051 174.900 0.032 0.000 0.977 2191 G CA -0.059 45.072 45.100 0.052 0.000 0.641 2191 G HN 0.318 nan 8.290 nan 0.000 0.533 2192 V N 1.659 121.591 119.914 0.031 0.000 2.673 2192 V HA 0.181 4.301 4.120 -0.000 0.000 0.303 2192 V C 1.833 177.880 176.094 -0.079 0.000 1.046 2192 V CA 1.263 63.541 62.300 -0.038 0.000 1.126 2192 V CB 1.218 33.001 31.823 -0.067 0.000 0.934 2192 V HN 0.395 nan 8.190 nan 0.000 0.487 2193 M N 3.049 122.586 119.600 -0.104 0.000 2.357 2193 M HA 0.119 4.599 4.480 -0.000 0.000 0.266 2193 M C 0.612 176.816 176.300 -0.159 0.000 1.095 2193 M CA 0.954 56.180 55.300 -0.123 0.000 1.156 2193 M CB 0.067 32.615 32.600 -0.087 0.000 1.365 2193 M HN 0.962 nan 8.290 nan 0.000 0.447 2194 N N -1.739 116.850 118.700 -0.184 0.000 3.046 2194 N HA 0.176 4.916 4.740 -0.000 0.000 0.243 2194 N C -1.981 173.393 175.510 -0.227 0.000 1.452 2194 N CA -0.652 52.296 53.050 -0.170 0.000 0.882 2194 N CB 1.165 39.606 38.487 -0.077 0.000 1.425 2194 N HN -0.119 nan 8.380 nan 0.000 0.517 2195 Y N -0.263 119.989 120.300 -0.080 0.000 2.409 2195 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 2195 Y C 0.320 176.167 175.900 -0.089 0.000 1.033 2195 Y CA -0.137 57.901 58.100 -0.103 0.000 1.094 2195 Y CB 1.584 39.964 38.460 -0.133 0.000 1.210 2195 Y HN 0.804 nan 8.280 nan 0.000 0.456 2196 E N -0.162 120.102 120.200 0.107 0.000 2.368 2196 E HA 0.503 4.853 4.350 -0.000 0.000 0.257 2196 E C -0.984 175.637 176.600 0.036 0.000 1.022 2196 E CA -0.709 55.724 56.400 0.054 0.000 0.886 2196 E CB 1.114 30.837 29.700 0.038 0.000 1.740 2196 E HN 0.441 nan 8.360 nan 0.000 0.456 2197 M N -0.640 118.979 119.600 0.030 0.000 2.300 2197 M HA 0.342 4.822 4.480 -0.000 0.000 0.313 2197 M C -0.035 176.274 176.300 0.015 0.000 0.988 2197 M CA 0.243 55.555 55.300 0.020 0.000 1.012 2197 M CB 0.668 33.285 32.600 0.027 0.000 1.586 2197 M HN 0.493 nan 8.290 nan 0.000 0.562 2198 E N -0.621 119.587 120.200 0.013 0.000 2.536 2198 E HA 0.071 4.421 4.350 -0.000 0.000 0.220 2198 E C 1.797 178.396 176.600 -0.002 0.000 0.876 2198 E CA 0.461 56.864 56.400 0.007 0.000 1.190 2198 E CB 0.452 30.158 29.700 0.010 0.000 1.191 2198 E HN 0.310 nan 8.360 nan 0.000 0.557 2199 S N 0.691 116.391 115.700 -0.000 0.000 2.383 2199 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 2199 S C 2.227 176.823 174.600 -0.007 0.000 1.026 2199 S CA 0.863 59.060 58.200 -0.005 0.000 0.981 2199 S CB -0.247 62.951 63.200 -0.003 0.000 0.818 2199 S HN 0.224 nan 8.310 nan 0.000 0.472 2200 A N 1.951 124.770 122.820 -0.001 0.000 1.883 2200 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 2200 A C 2.446 180.038 177.584 0.012 0.000 1.186 2200 A CA 2.222 54.266 52.037 0.011 0.000 0.624 2200 A CB -1.741 17.270 19.000 0.018 0.000 0.822 2200 A HN 0.565 nan 8.150 nan 0.000 0.444 2201 T N 0.013 114.568 114.554 0.001 0.000 2.674 2201 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 2201 T C 1.881 176.523 174.700 -0.097 0.000 1.039 2201 T CA 1.553 63.644 62.100 -0.015 0.000 1.150 2201 T CB -0.455 68.410 68.868 -0.004 0.000 0.864 2201 T HN 0.348 nan 8.240 nan 0.000 0.427 2202 L N 1.163 122.329 121.223 -0.096 0.000 1.970 2202 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 2202 L C 2.238 179.024 176.870 -0.140 0.000 1.071 2202 L CA 1.716 56.465 54.840 -0.153 0.000 0.751 2202 L CB -0.800 41.202 42.059 -0.095 0.000 0.889 2202 L HN 0.248 nan 8.230 nan 0.000 0.432 2203 L N -1.177 120.011 121.223 -0.058 0.000 2.042 2203 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 2203 L C 2.367 179.238 176.870 0.003 0.000 1.076 2203 L CA 1.817 56.650 54.840 -0.011 0.000 0.749 2203 L CB -1.277 40.798 42.059 0.025 0.000 0.893 2203 L HN 0.330 nan 8.230 nan 0.000 0.432 2204 T N 0.460 115.013 114.554 -0.003 0.000 2.737 2204 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 2204 T C 1.874 176.485 174.700 -0.149 0.000 1.038 2204 T CA 1.797 63.914 62.100 0.028 0.000 1.144 2204 T CB -0.220 68.692 68.868 0.074 0.000 0.866 2204 T HN 0.447 nan 8.240 nan 0.000 0.434 2205 M N 0.363 119.750 119.600 -0.356 0.000 2.159 2205 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 2205 M C 2.271 178.291 176.300 -0.466 0.000 1.063 2205 M CA 1.573 56.407 55.300 -0.776 0.000 1.110 2205 M CB -1.135 30.552 32.600 -1.522 0.000 1.374 2205 M HN 0.184 nan 8.290 nan 0.000 0.411 2206 C N 1.397 120.519 119.300 -0.296 0.000 2.489 2206 C HA 0.125 4.585 4.460 -0.000 0.000 0.279 2206 C C 3.316 178.286 174.990 -0.033 0.000 1.266 2206 C CA 1.018 59.946 59.018 -0.150 0.000 1.707 2206 C CB -1.291 26.396 27.740 -0.089 0.000 2.059 2206 C HN 0.771 nan 8.230 nan 0.000 0.481 2207 A N 1.171 124.012 122.820 0.035 0.000 1.978 2207 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 2207 A C 2.172 179.853 177.584 0.162 0.000 1.170 2207 A CA 2.312 54.445 52.037 0.160 0.000 0.636 2207 A CB -0.722 18.459 19.000 0.302 0.000 0.810 2207 A HN 0.732 nan 8.150 nan 0.000 0.448 2208 S N -1.695 113.985 115.700 -0.032 0.000 2.593 2208 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 2208 S C 0.914 175.468 174.600 -0.077 0.000 0.966 2208 S CA 0.406 58.498 58.200 -0.180 0.000 0.914 2208 S CB -0.009 62.868 63.200 -0.539 0.000 0.776 2208 S HN 0.655 nan 8.310 nan 0.000 0.523 2209 Q N 0.198 119.974 119.800 -0.040 0.000 2.084 2209 Q HA 0.347 4.687 4.340 -0.000 0.000 0.230 2209 Q C 0.708 176.721 176.000 0.023 0.000 0.806 2209 Q CA 0.004 55.800 55.803 -0.012 0.000 1.083 2209 Q CB 0.960 29.675 28.738 -0.039 0.000 1.208 2209 Q HN 0.609 nan 8.270 nan 0.000 0.462 2210 G N 1.488 110.314 108.800 0.044 0.000 2.179 2210 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 2210 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 2210 G C -0.027 174.915 174.900 0.070 0.000 1.010 2210 G CA 0.302 45.437 45.100 0.058 0.000 0.736 2210 G HN 0.284 nan 8.290 nan 0.000 0.513 2211 L N -0.372 120.897 121.223 0.077 0.000 2.322 2211 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 2211 L C 1.055 178.005 176.870 0.134 0.000 1.036 2211 L CA -1.039 53.882 54.840 0.134 0.000 0.807 2211 L CB 1.219 43.394 42.059 0.195 0.000 1.226 2211 L HN 0.049 nan 8.230 nan 0.000 0.433 2212 R N 1.945 122.534 120.500 0.148 0.000 2.308 2212 R HA 0.742 5.082 4.340 -0.000 0.000 0.305 2212 R C -0.628 175.774 176.300 0.169 0.000 1.053 2212 R CA -0.390 55.784 56.100 0.122 0.000 0.957 2212 R CB 1.477 31.823 30.300 0.077 0.000 1.022 2212 R HN 0.744 nan 8.270 nan 0.000 0.461 2213 A N 1.439 124.336 122.820 0.128 0.000 2.515 2213 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 2213 A C -0.801 176.829 177.584 0.078 0.000 1.059 2213 A CA -0.609 51.507 52.037 0.132 0.000 0.698 2213 A CB 2.217 21.273 19.000 0.094 0.000 1.289 2213 A HN 0.764 nan 8.150 nan 0.000 0.404 2214 G N -0.401 108.440 108.800 0.068 0.000 2.680 2214 G HA2 0.731 4.691 3.960 -0.000 0.000 0.290 2214 G HA3 0.731 4.691 3.960 -0.000 0.000 0.290 2214 G C -1.246 173.675 174.900 0.035 0.000 1.355 2214 G CA -0.501 44.621 45.100 0.036 0.000 0.903 2214 G HN 1.417 nan 8.290 nan 0.000 0.474 2215 M N 1.167 120.779 119.600 0.020 0.000 2.277 2215 M HA 0.708 5.188 4.480 -0.000 0.000 0.282 2215 M C -1.985 174.323 176.300 0.012 0.000 1.074 2215 M CA -0.807 54.505 55.300 0.019 0.000 0.954 2215 M CB 1.883 34.493 32.600 0.016 0.000 1.672 2215 M HN 0.890 nan 8.290 nan 0.000 0.471 2216 V N 3.982 123.905 119.914 0.014 0.000 2.888 2216 V HA 1.052 5.172 4.120 -0.000 0.000 0.309 2216 V C -1.787 174.317 176.094 0.018 0.000 1.114 2216 V CA 0.263 62.570 62.300 0.012 0.000 0.940 2216 V CB 2.010 33.836 31.823 0.005 0.000 1.021 2216 V HN 1.339 nan 8.190 nan 0.000 0.426 2217 A N 3.689 126.522 122.820 0.021 0.000 2.549 2217 A HA 0.909 5.229 4.320 -0.000 0.000 0.297 2217 A C -0.250 177.353 177.584 0.032 0.000 1.061 2217 A CA -0.144 51.908 52.037 0.025 0.000 0.690 2217 A CB 1.840 20.854 19.000 0.024 0.000 1.287 2217 A HN 1.680 nan 8.150 nan 0.000 0.402 2218 G N 0.096 108.916 108.800 0.034 0.000 2.356 2218 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 2218 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 2218 G C -0.450 174.471 174.900 0.035 0.000 1.145 2218 G CA -0.340 44.785 45.100 0.041 0.000 0.850 2218 G HN 0.911 nan 8.290 nan 0.000 0.487 2219 V N 3.379 123.316 119.914 0.038 0.000 2.470 2219 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 2219 V C 1.252 177.361 176.094 0.026 0.000 1.040 2219 V CA 0.160 62.477 62.300 0.029 0.000 1.008 2219 V CB 0.730 32.569 31.823 0.027 0.000 0.990 2219 V HN 0.765 nan 8.190 nan 0.000 0.477 2220 I N 3.384 123.970 120.570 0.027 0.000 4.139 2220 I HA 0.546 4.716 4.170 -0.000 0.000 0.335 2220 I C 0.172 176.306 176.117 0.029 0.000 1.327 2220 I CA 0.257 61.573 61.300 0.027 0.000 1.112 2220 I CB 1.011 39.031 38.000 0.032 0.000 1.058 2220 I HN 0.402 nan 8.210 nan 0.000 0.396 2221 V N 1.185 121.114 119.914 0.025 0.000 3.077 2221 V HA 0.432 4.552 4.120 -0.000 0.000 0.299 2221 V C -1.802 174.298 176.094 0.010 0.000 1.276 2221 V CA -0.599 61.715 62.300 0.023 0.000 0.993 2221 V CB 2.374 34.217 31.823 0.033 0.000 1.076 2221 V HN 0.347 nan 8.190 nan 0.000 0.434 2222 N N 4.651 123.355 118.700 0.007 0.000 2.424 2222 N HA 0.393 5.133 4.740 -0.000 0.000 0.271 2222 N C 0.496 176.011 175.510 0.009 0.000 0.985 2222 N CA -0.564 52.484 53.050 -0.004 0.000 0.921 2222 N CB 1.715 40.193 38.487 -0.014 0.000 1.149 2222 N HN 0.594 nan 8.380 nan 0.000 0.492 2223 R N 1.025 121.534 120.500 0.015 0.000 2.307 2223 R HA -0.016 4.324 4.340 -0.000 0.000 0.199 2223 R C 1.332 177.655 176.300 0.039 0.000 1.000 2223 R CA 0.666 56.788 56.100 0.036 0.000 1.023 2223 R CB -0.612 29.732 30.300 0.073 0.000 0.908 2223 R HN 0.685 nan 8.270 nan 0.000 0.473 2224 T N -3.084 111.482 114.554 0.022 0.000 3.160 2224 T HA 0.029 4.379 4.350 -0.000 0.000 0.257 2224 T C 1.481 176.195 174.700 0.023 0.000 1.147 2224 T CA 0.634 62.747 62.100 0.023 0.000 1.064 2224 T CB 0.247 69.122 68.868 0.011 0.000 0.949 2224 T HN 0.202 nan 8.240 nan 0.000 0.526 2225 Q N -0.535 119.279 119.800 0.023 0.000 2.422 2225 Q HA 0.382 4.722 4.340 -0.000 0.000 0.255 2225 Q C 0.354 176.372 176.000 0.030 0.000 0.864 2225 Q CA 0.062 55.879 55.803 0.023 0.000 0.968 2225 Q CB 0.965 29.714 28.738 0.019 0.000 1.130 2225 Q HN 0.481 nan 8.270 nan 0.000 0.556 2226 Q N -1.078 118.742 119.800 0.034 0.000 2.472 2226 Q HA 0.179 4.519 4.340 -0.000 0.000 0.281 2226 Q C -0.697 175.329 176.000 0.043 0.000 0.997 2226 Q CA -0.147 55.680 55.803 0.041 0.000 0.828 2226 Q CB 1.949 30.709 28.738 0.037 0.000 1.443 2226 Q HN 0.016 nan 8.270 nan 0.000 0.390 2227 E N 0.601 120.834 120.200 0.055 0.000 2.162 2227 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 2227 E C 0.088 176.723 176.600 0.057 0.000 0.953 2227 E CA 0.461 56.888 56.400 0.045 0.000 0.849 2227 E CB 0.670 30.417 29.700 0.078 0.000 0.810 2227 E HN 0.317 nan 8.360 nan 0.000 0.470 2228 I N 2.756 123.381 120.570 0.092 0.000 2.336 2228 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 2228 I C -2.317 173.854 176.117 0.089 0.000 0.991 2228 I CA -3.190 58.183 61.300 0.122 0.000 1.227 2228 I CB 0.590 38.671 38.000 0.135 0.000 1.366 2228 I HN -0.208 nan 8.210 nan 0.000 0.466 2229 P HA 0.077 nan 4.420 nan 0.000 0.267 2229 P C 0.042 177.371 177.300 0.048 0.000 1.200 2229 P CA -0.073 63.066 63.100 0.065 0.000 0.772 2229 P CB 0.529 32.272 31.700 0.072 0.000 0.855 2240 H N 2.073 121.135 119.070 -0.013 0.000 2.357 2240 H HA 0.332 4.888 4.556 -0.000 0.000 0.301 2240 H C 2.260 177.580 175.328 -0.014 0.000 1.082 2240 H CA 1.840 57.880 56.048 -0.013 0.000 1.342 2240 H CB -0.545 29.210 29.762 -0.011 0.000 1.389 2240 H HN 0.494 nan 8.280 nan 0.000 0.511 2241 A N 0.062 122.954 122.820 0.121 0.000 1.930 2241 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 2241 A C 2.763 180.365 177.584 0.029 0.000 1.175 2241 A CA 1.475 53.544 52.037 0.053 0.000 0.627 2241 A CB -0.741 18.285 19.000 0.044 0.000 0.815 2241 A HN 0.240 nan 8.150 nan 0.000 0.443 2242 V N -0.089 119.843 119.914 0.029 0.000 2.295 2242 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 2242 V C 2.465 178.563 176.094 0.007 0.000 1.049 2242 V CA 2.410 64.716 62.300 0.010 0.000 1.024 2242 V CB -0.679 31.143 31.823 -0.001 0.000 0.648 2242 V HN 0.535 nan 8.190 nan 0.000 0.447 2243 K N -0.240 120.173 120.400 0.021 0.000 2.074 2243 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 2243 K C 1.924 178.518 176.600 -0.010 0.000 1.048 2243 K CA 1.720 58.014 56.287 0.011 0.000 0.926 2243 K CB -0.333 32.188 32.500 0.035 0.000 0.713 2243 K HN 0.418 nan 8.250 nan 0.000 0.444 2244 I N -0.559 120.002 120.570 -0.014 0.000 2.202 2244 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 2244 I C 2.165 178.268 176.117 -0.024 0.000 1.091 2244 I CA 0.789 62.071 61.300 -0.031 0.000 1.368 2244 I CB -0.212 37.764 38.000 -0.040 0.000 1.058 2244 I HN 0.002 nan 8.210 nan 0.000 0.410 2245 V N 0.487 120.393 119.914 -0.013 0.000 2.407 2245 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 2245 V C 2.394 178.480 176.094 -0.013 0.000 1.055 2245 V CA 1.772 64.066 62.300 -0.010 0.000 1.049 2245 V CB 0.061 31.884 31.823 -0.000 0.000 0.662 2245 V HN 0.218 nan 8.190 nan 0.000 0.455 2246 V N -0.007 119.899 119.914 -0.013 0.000 2.358 2246 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 2246 V C 2.518 178.601 176.094 -0.019 0.000 1.047 2246 V CA 2.250 64.541 62.300 -0.015 0.000 1.035 2246 V CB -0.688 31.126 31.823 -0.014 0.000 0.658 2246 V HN 0.679 nan 8.190 nan 0.000 0.452 2247 E N 0.845 121.032 120.200 -0.022 0.000 2.153 2247 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 2247 E C 2.047 178.629 176.600 -0.030 0.000 0.988 2247 E CA 1.608 57.992 56.400 -0.026 0.000 0.811 2247 E CB -0.393 29.288 29.700 -0.032 0.000 0.746 2247 E HN 0.517 nan 8.360 nan 0.000 0.466 2248 A N 0.774 123.575 122.820 -0.032 0.000 1.897 2248 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 2248 A C 2.465 180.029 177.584 -0.033 0.000 1.181 2248 A CA 1.709 53.724 52.037 -0.036 0.000 0.620 2248 A CB -1.019 17.959 19.000 -0.037 0.000 0.821 2248 A HN 0.375 nan 8.150 nan 0.000 0.443 2249 A N -0.051 122.753 122.820 -0.027 0.000 1.917 2249 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 2249 A C 2.213 179.780 177.584 -0.028 0.000 1.182 2249 A CA 2.106 54.126 52.037 -0.028 0.000 0.633 2249 A CB -0.552 18.433 19.000 -0.024 0.000 0.819 2249 A HN 0.541 nan 8.150 nan 0.000 0.448 2250 R N -0.655 119.830 120.500 -0.025 0.000 2.096 2250 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 2250 R C 2.301 178.586 176.300 -0.024 0.000 1.139 2250 R CA 1.995 58.081 56.100 -0.022 0.000 0.952 2250 R CB -0.212 30.075 30.300 -0.020 0.000 0.854 2250 R HN 0.529 nan 8.270 nan 0.000 0.436 2251 R N -0.345 120.138 120.500 -0.029 0.000 2.235 2251 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 2251 R C 1.505 177.786 176.300 -0.031 0.000 1.059 2251 R CA 0.700 56.781 56.100 -0.031 0.000 0.997 2251 R CB 0.084 30.360 30.300 -0.040 0.000 0.884 2251 R HN 0.257 nan 8.270 nan 0.000 0.462 2252 L N 0.177 121.381 121.223 -0.032 0.000 2.607 2252 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 2252 L C 0.449 177.302 176.870 -0.028 0.000 1.123 2252 L CA -0.203 54.618 54.840 -0.031 0.000 0.890 2252 L CB 0.164 42.202 42.059 -0.034 0.000 1.103 2252 L HN 0.083 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 2253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502