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 2hrd_1_C DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQQEIPNXX XXXXTESHAV KIVVEAARRL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.596 176.600 -0.007 0.000 0.988 2003 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 2003 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 2004 S N 0.627 116.315 115.700 -0.019 0.000 2.558 2004 S HA 0.021 4.506 4.470 0.024 0.000 0.288 2004 S C 0.012 174.610 174.600 -0.004 0.000 1.318 2004 S CA 0.089 58.277 58.200 -0.021 0.000 1.056 2004 S CB 0.143 63.303 63.200 -0.065 0.000 0.853 2004 S HN 0.586 nan 8.310 nan 0.000 0.505 2005 D N 1.571 121.974 120.400 0.005 0.000 2.333 2005 D HA 0.094 4.748 4.640 0.024 0.000 0.208 2005 D C 0.543 176.861 176.300 0.030 0.000 0.984 2005 D CA 0.670 54.679 54.000 0.017 0.000 0.873 2005 D CB 0.104 40.914 40.800 0.017 0.000 0.935 2005 D HN 0.429 nan 8.370 nan 0.000 0.521 2006 V N -2.341 117.589 119.914 0.026 0.000 2.914 2006 V HA 0.384 4.518 4.120 0.024 0.000 0.314 2006 V C 0.717 176.840 176.094 0.048 0.000 1.084 2006 V CA -1.013 61.318 62.300 0.052 0.000 0.963 2006 V CB 1.819 33.667 31.823 0.042 0.000 1.025 2006 V HN -0.162 nan 8.190 nan 0.000 0.432 2007 F N 1.473 121.368 119.950 -0.091 0.000 2.206 2007 F HA 0.095 4.636 4.527 0.023 0.000 0.298 2007 F C 1.839 177.434 175.800 -0.341 0.000 1.090 2007 F CA 2.287 60.152 58.000 -0.225 0.000 1.323 2007 F CB -0.078 38.749 39.000 -0.287 0.000 1.028 2007 F HN 0.840 nan 8.300 nan 0.000 0.492 2008 H N -1.293 117.682 119.070 -0.159 0.000 2.460 2008 H HA 0.223 4.794 4.556 0.025 0.000 0.297 2008 H C 2.095 177.315 175.328 -0.179 0.000 1.023 2008 H CA 1.040 56.951 56.048 -0.229 0.000 1.321 2008 H CB -0.188 29.466 29.762 -0.180 0.000 1.455 2008 H HN 0.114 nan 8.280 nan 0.000 0.539 2009 L N -0.283 120.906 121.223 -0.058 0.000 2.291 2009 L HA 0.104 4.459 4.340 0.024 0.000 0.214 2009 L C 1.151 178.092 176.870 0.118 0.000 1.120 2009 L CA 0.767 55.618 54.840 0.020 0.000 0.799 2009 L CB -0.340 41.702 42.059 -0.027 0.000 0.925 2009 L HN 0.563 nan 8.230 nan 0.000 0.446 2010 G N 1.185 109.950 108.800 -0.058 0.000 2.225 2010 G HA2 -0.264 3.711 3.960 0.024 0.000 0.264 2010 G HA3 -0.264 3.711 3.960 0.024 0.000 0.264 2010 G C -0.182 174.750 174.900 0.053 0.000 1.060 2010 G CA 0.022 45.076 45.100 -0.077 0.000 0.833 2010 G HN 0.241 nan 8.290 nan 0.000 0.498 2011 L N 0.069 121.307 121.223 0.025 0.000 2.354 2011 L HA 0.824 5.179 4.340 0.024 0.000 0.269 2011 L C 0.779 177.658 176.870 0.015 0.000 1.005 2011 L CA -0.563 54.295 54.840 0.030 0.000 0.819 2011 L CB 2.378 44.461 42.059 0.039 0.000 1.311 2011 L HN 0.362 nan 8.230 nan 0.000 0.423 2012 T N -2.961 111.600 114.554 0.012 0.000 2.950 2012 T HA 0.303 4.667 4.350 0.024 0.000 0.288 2012 T C 0.636 175.341 174.700 0.009 0.000 1.035 2012 T CA -0.816 61.289 62.100 0.009 0.000 1.028 2012 T CB 2.115 70.986 68.868 0.004 0.000 1.109 2012 T HN 0.612 nan 8.240 nan 0.000 0.514 2013 K N 0.328 120.733 120.400 0.009 0.000 2.147 2013 K HA -0.154 4.181 4.320 0.024 0.000 0.205 2013 K C 2.022 178.624 176.600 0.003 0.000 1.049 2013 K CA 1.453 57.745 56.287 0.008 0.000 0.936 2013 K CB -0.269 32.236 32.500 0.008 0.000 0.722 2013 K HN 0.659 nan 8.250 nan 0.000 0.446 2014 N N 1.056 119.756 118.700 0.001 0.000 2.188 2014 N HA -0.148 4.607 4.740 0.024 0.000 0.184 2014 N C 1.065 176.571 175.510 -0.006 0.000 1.018 2014 N CA 1.517 54.565 53.050 -0.003 0.000 0.858 2014 N CB -0.004 38.480 38.487 -0.004 0.000 0.989 2014 N HN 0.153 nan 8.380 nan 0.000 0.426 2015 D N -0.217 120.180 120.400 -0.006 0.000 2.190 2015 D HA -0.131 4.523 4.640 0.024 0.000 0.200 2015 D C 1.522 177.818 176.300 -0.007 0.000 0.992 2015 D CA 0.728 54.722 54.000 -0.010 0.000 0.854 2015 D CB -0.131 40.666 40.800 -0.006 0.000 0.936 2015 D HN 0.280 nan 8.370 nan 0.000 0.462 2016 L N 0.296 121.518 121.223 -0.001 0.000 2.395 2016 L HA 0.013 4.368 4.340 0.024 0.000 0.218 2016 L C 0.754 177.621 176.870 -0.005 0.000 1.130 2016 L CA 0.618 55.457 54.840 -0.001 0.000 0.826 2016 L CB -0.380 41.678 42.059 -0.002 0.000 0.941 2016 L HN 0.021 nan 8.230 nan 0.000 0.451 2017 Q N -0.207 119.589 119.800 -0.006 0.000 2.435 2017 Q HA -0.294 4.060 4.340 0.024 0.000 0.312 2017 Q C 1.143 177.139 176.000 -0.007 0.000 1.333 2017 Q CA 0.400 56.199 55.803 -0.006 0.000 0.883 2017 Q CB -1.998 26.736 28.738 -0.006 0.000 1.170 2017 Q HN 0.647 nan 8.270 nan 0.000 0.443 2018 G N -1.929 106.867 108.800 -0.008 0.000 2.179 2018 G HA2 -0.287 3.687 3.960 0.024 0.000 0.260 2018 G HA3 -0.287 3.687 3.960 0.024 0.000 0.260 2018 G C 0.297 175.187 174.900 -0.018 0.000 0.977 2018 G CA 0.235 45.329 45.100 -0.010 0.000 0.641 2018 G HN 1.151 nan 8.290 nan 0.000 0.533 2019 A N -0.384 122.424 122.820 -0.020 0.000 2.540 2019 A HA 0.551 4.886 4.320 0.024 0.000 0.239 2019 A C 1.050 178.601 177.584 -0.055 0.000 1.061 2019 A CA 1.455 53.472 52.037 -0.034 0.000 0.758 2019 A CB 0.214 19.196 19.000 -0.029 0.000 0.991 2019 A HN 0.594 nan 8.150 nan 0.000 0.502 2020 Q N 0.749 120.505 119.800 -0.073 0.000 2.164 2020 Q HA 0.328 4.682 4.340 0.024 0.000 0.226 2020 Q C -0.550 175.347 176.000 -0.171 0.000 0.813 2020 Q CA -0.015 55.727 55.803 -0.101 0.000 0.978 2020 Q CB 0.750 29.449 28.738 -0.066 0.000 1.149 2020 Q HN 0.729 nan 8.270 nan 0.000 0.489 2021 L N 0.715 121.841 121.223 -0.161 0.000 2.365 2021 L HA 0.808 5.162 4.340 0.024 0.000 0.273 2021 L C -1.671 175.080 176.870 -0.199 0.000 1.000 2021 L CA -0.656 54.061 54.840 -0.204 0.000 0.819 2021 L CB 1.675 43.664 42.059 -0.118 0.000 1.284 2021 L HN -0.082 nan 8.230 nan 0.000 0.418 2022 A N 5.724 128.373 122.820 -0.284 0.000 2.355 2022 A HA 0.712 5.047 4.320 0.024 0.000 0.317 2022 A C -0.959 176.601 177.584 -0.039 0.000 1.094 2022 A CA -0.555 51.396 52.037 -0.144 0.000 0.764 2022 A CB 1.062 19.977 19.000 -0.143 0.000 1.230 2022 A HN 0.671 nan 8.150 nan 0.000 0.448 2023 I N 2.547 123.127 120.570 0.016 0.000 2.331 2023 I HA 0.365 4.549 4.170 0.024 0.000 0.292 2023 I C -0.185 175.981 176.117 0.082 0.000 0.998 2023 I CA -0.597 60.730 61.300 0.045 0.000 1.267 2023 I CB 1.756 39.770 38.000 0.025 0.000 1.386 2023 I HN 0.463 nan 8.210 nan 0.000 0.476 2024 V N 5.618 125.595 119.914 0.104 0.000 2.276 2024 V HA 0.492 4.626 4.120 0.024 0.000 0.268 2024 V C -2.554 173.589 176.094 0.081 0.000 1.032 2024 V CA -1.929 60.444 62.300 0.121 0.000 0.810 2024 V CB 0.361 32.292 31.823 0.180 0.000 1.060 2024 V HN 0.456 nan 8.190 nan 0.000 0.446 2025 P HA 0.292 nan 4.420 nan 0.000 0.276 2025 P C 1.023 178.347 177.300 0.040 0.000 1.252 2025 P CA 0.297 63.419 63.100 0.037 0.000 0.802 2025 P CB 1.819 33.528 31.700 0.016 0.000 1.035 2026 G N 0.132 108.946 108.800 0.023 0.000 2.408 2026 G HA2 -0.093 3.881 3.960 0.024 0.000 0.215 2026 G HA3 -0.093 3.881 3.960 0.024 0.000 0.215 2026 G C 0.298 175.193 174.900 -0.007 0.000 1.156 2026 G CA 0.453 45.560 45.100 0.012 0.000 0.793 2026 G HN 0.508 nan 8.290 nan 0.000 0.535 2027 D N 0.415 120.807 120.400 -0.013 0.000 2.313 2027 D HA 0.258 4.913 4.640 0.024 0.000 0.239 2027 D C -1.143 175.144 176.300 -0.022 0.000 1.142 2027 D CA -2.561 51.422 54.000 -0.028 0.000 0.847 2027 D CB 2.041 42.821 40.800 -0.033 0.000 1.082 2027 D HN -0.021 nan 8.370 nan 0.000 0.480 2028 P HA -0.164 nan 4.420 nan 0.000 0.217 2028 P C 0.524 177.814 177.300 -0.016 0.000 1.148 2028 P CA 1.114 64.211 63.100 -0.005 0.000 0.828 2028 P CB 0.336 32.026 31.700 -0.016 0.000 0.783 2029 E N -0.931 119.249 120.200 -0.034 0.000 2.418 2029 E HA -0.115 4.250 4.350 0.024 0.000 0.197 2029 E C 2.004 178.558 176.600 -0.076 0.000 1.026 2029 E CA 0.330 56.701 56.400 -0.048 0.000 0.862 2029 E CB -0.238 29.436 29.700 -0.043 0.000 0.799 2029 E HN 0.014 nan 8.360 nan 0.000 0.518 2030 R N 0.250 120.707 120.500 -0.072 0.000 2.280 2030 R HA 0.057 4.412 4.340 0.024 0.000 0.195 2030 R C 1.630 177.853 176.300 -0.129 0.000 0.935 2030 R CA 0.228 56.275 56.100 -0.089 0.000 1.033 2030 R CB -0.110 30.157 30.300 -0.056 0.000 0.964 2030 R HN -0.001 nan 8.270 nan 0.000 0.489 2031 V N 0.603 120.440 119.914 -0.129 0.000 2.255 2031 V HA -0.259 3.875 4.120 0.024 0.000 0.247 2031 V C 2.194 178.035 176.094 -0.422 0.000 1.051 2031 V CA 2.338 64.539 62.300 -0.164 0.000 1.018 2031 V CB -0.470 31.329 31.823 -0.039 0.000 0.641 2031 V HN 0.466 nan 8.190 nan 0.000 0.445 2032 E N 0.185 119.971 120.200 -0.691 0.000 2.110 2032 E HA -0.260 4.104 4.350 0.024 0.000 0.193 2032 E C 2.246 178.470 176.600 -0.627 0.000 0.988 2032 E CA 1.391 57.095 56.400 -1.160 0.000 0.804 2032 E CB -0.058 28.992 29.700 -1.083 0.000 0.745 2032 E HN 0.601 nan 8.360 nan 0.000 0.458 2033 K N 0.131 120.312 120.400 -0.365 0.000 2.063 2033 K HA -0.148 4.186 4.320 0.024 0.000 0.208 2033 K C 2.218 178.710 176.600 -0.180 0.000 1.048 2033 K CA 1.537 57.689 56.287 -0.225 0.000 0.928 2033 K CB -0.165 32.244 32.500 -0.151 0.000 0.713 2033 K HN 0.263 nan 8.250 nan 0.000 0.442 2034 I N 1.043 121.512 120.570 -0.170 0.000 2.286 2034 I HA -0.220 3.964 4.170 0.024 0.000 0.245 2034 I C 2.562 178.616 176.117 -0.105 0.000 1.104 2034 I CA 0.946 62.182 61.300 -0.108 0.000 1.397 2034 I CB -0.390 37.567 38.000 -0.072 0.000 1.072 2034 I HN 0.109 nan 8.210 nan 0.000 0.417 2035 A N 0.881 123.602 122.820 -0.164 0.000 1.933 2035 A HA -0.160 4.174 4.320 0.024 0.000 0.218 2035 A C 2.482 180.024 177.584 -0.070 0.000 1.175 2035 A CA 1.801 53.784 52.037 -0.089 0.000 0.628 2035 A CB -0.837 18.105 19.000 -0.095 0.000 0.814 2035 A HN 0.428 nan 8.150 nan 0.000 0.444 2036 A N -0.572 122.155 122.820 -0.155 0.000 2.178 2036 A HA 0.095 4.429 4.320 0.024 0.000 0.218 2036 A C 1.856 179.412 177.584 -0.047 0.000 1.157 2036 A CA 1.098 53.080 52.037 -0.092 0.000 0.689 2036 A CB -0.507 18.413 19.000 -0.134 0.000 0.787 2036 A HN 0.490 nan 8.150 nan 0.000 0.465 2037 L N -1.467 119.728 121.223 -0.047 0.000 2.554 2037 L HA 0.151 4.505 4.340 0.024 0.000 0.226 2037 L C 0.884 177.748 176.870 -0.009 0.000 1.137 2037 L CA 0.063 54.887 54.840 -0.027 0.000 0.863 2037 L CB -0.322 41.720 42.059 -0.029 0.000 0.985 2037 L HN 0.425 nan 8.230 nan 0.000 0.451 2038 M N -1.443 118.157 119.600 0.001 0.000 2.852 2038 M HA 0.281 4.775 4.480 0.024 0.000 0.301 2038 M C -0.607 175.710 176.300 0.028 0.000 1.229 2038 M CA -0.794 54.515 55.300 0.015 0.000 0.832 2038 M CB 1.499 34.111 32.600 0.020 0.000 1.726 2038 M HN -0.251 nan 8.290 nan 0.000 0.497 2039 D N 0.778 121.196 120.400 0.029 0.000 2.304 2039 D HA 0.135 4.790 4.640 0.024 0.000 0.247 2039 D C -0.488 175.842 176.300 0.050 0.000 1.089 2039 D CA 0.450 54.470 54.000 0.033 0.000 0.910 2039 D CB 0.665 41.479 40.800 0.023 0.000 1.199 2039 D HN 0.361 nan 8.370 nan 0.000 0.426 2040 K N 1.083 121.514 120.400 0.052 0.000 3.451 2040 K HA -0.113 4.221 4.320 0.024 0.000 0.273 2040 K C -2.284 174.375 176.600 0.099 0.000 0.944 2040 K CA 0.256 56.579 56.287 0.060 0.000 0.734 2040 K CB -1.560 30.962 32.500 0.037 0.000 1.437 2040 K HN 0.504 nan 8.250 nan 0.000 0.454 2041 P HA 0.204 nan 4.420 nan 0.000 0.276 2041 P C -0.207 177.275 177.300 0.304 0.000 1.230 2041 P CA -0.170 63.112 63.100 0.304 0.000 0.776 2041 P CB 1.133 33.042 31.700 0.347 0.000 0.888 2042 V N 3.429 123.440 119.914 0.161 0.000 2.733 2042 V HA 0.273 4.408 4.120 0.024 0.000 0.306 2042 V C 0.310 175.879 176.094 -0.876 0.000 1.084 2042 V CA -0.994 61.127 62.300 -0.297 0.000 0.905 2042 V CB 2.144 33.867 31.823 -0.167 0.000 1.010 2042 V HN 0.494 nan 8.190 nan 0.000 0.424 2043 K N 3.309 122.733 120.400 -1.628 0.000 2.401 2043 K HA 0.383 4.717 4.320 0.024 0.000 0.278 2043 K C 0.162 176.341 176.600 -0.702 0.000 1.018 2043 K CA 0.031 55.287 56.287 -1.719 0.000 0.981 2043 K CB 0.694 32.445 32.500 -1.249 0.000 0.933 2043 K HN 0.642 nan 8.250 nan 0.000 0.477 2044 L N 2.381 123.327 121.223 -0.461 0.000 2.356 2044 L HA 0.393 4.747 4.340 0.024 0.000 0.193 2044 L C 0.459 177.251 176.870 -0.129 0.000 1.087 2044 L CA 0.142 54.861 54.840 -0.201 0.000 0.817 2044 L CB 0.160 42.170 42.059 -0.082 0.000 1.035 2044 L HN 0.784 nan 8.230 nan 0.000 0.482 2045 A N -0.990 121.779 122.820 -0.085 0.000 2.612 2045 A HA 0.638 4.973 4.320 0.024 0.000 0.293 2045 A C -1.230 176.312 177.584 -0.070 0.000 1.075 2045 A CA -0.282 51.719 52.037 -0.060 0.000 0.680 2045 A CB 1.826 20.881 19.000 0.092 0.000 1.279 2045 A HN -0.095 nan 8.150 nan 0.000 0.411 2046 S N 0.644 116.184 115.700 -0.268 0.000 2.776 2046 S HA 0.658 5.143 4.470 0.024 0.000 0.284 2046 S C -1.705 172.617 174.600 -0.463 0.000 1.160 2046 S CA -0.487 57.598 58.200 -0.192 0.000 1.051 2046 S CB 0.361 63.507 63.200 -0.091 0.000 1.037 2046 S HN 0.709 nan 8.310 nan 0.000 0.485 2047 H N 3.535 122.675 119.070 0.116 0.000 2.856 2047 H HA 0.518 5.088 4.556 0.024 0.000 0.355 2047 H C 0.531 175.934 175.328 0.125 0.000 1.079 2047 H CA -0.485 55.628 56.048 0.107 0.000 1.240 2047 H CB 1.555 31.384 29.762 0.113 0.000 1.701 2047 H HN 0.780 nan 8.280 nan 0.000 0.527 2048 R N 0.498 121.082 120.500 0.141 0.000 3.750 2048 R HA -0.229 4.126 4.340 0.024 0.000 0.495 2048 R C 1.104 177.308 176.300 -0.161 0.000 0.241 2048 R CA 1.878 57.975 56.100 -0.005 0.000 1.551 2048 R CB -0.729 29.586 30.300 0.024 0.000 0.956 2048 R HN 0.769 nan 8.270 nan 0.000 0.584 2049 E N 2.031 121.942 120.200 -0.481 0.000 2.463 2049 E HA -0.007 4.357 4.350 0.024 0.000 0.191 2049 E C -0.126 176.181 176.600 -0.488 0.000 1.083 2049 E CA 0.724 56.816 56.400 -0.513 0.000 0.872 2049 E CB 0.030 29.389 29.700 -0.568 0.000 0.966 2049 E HN 0.373 nan 8.360 nan 0.000 0.491 2050 F N 1.585 121.575 119.950 0.066 0.000 2.291 2050 F HA 0.292 4.832 4.527 0.022 0.000 0.368 2050 F C 0.125 175.977 175.800 0.086 0.000 1.085 2050 F CA -0.770 57.280 58.000 0.083 0.000 1.165 2050 F CB 1.371 40.436 39.000 0.108 0.000 1.429 2050 F HN -0.308 nan 8.300 nan 0.000 0.503 2051 T N 1.823 116.505 114.554 0.213 0.000 2.767 2051 T HA 0.459 4.824 4.350 0.024 0.000 0.284 2051 T C -0.175 174.675 174.700 0.250 0.000 0.973 2051 T CA -0.708 61.509 62.100 0.196 0.000 0.996 2051 T CB 1.091 70.055 68.868 0.160 0.000 0.927 2051 T HN 0.506 nan 8.240 nan 0.000 0.456 2052 S N 2.304 118.158 115.700 0.257 0.000 2.532 2052 S HA 0.748 5.232 4.470 0.024 0.000 0.299 2052 S C -1.537 173.242 174.600 0.297 0.000 1.105 2052 S CA -1.024 57.328 58.200 0.254 0.000 1.018 2052 S CB 1.133 64.431 63.200 0.164 0.000 1.021 2052 S HN 0.649 nan 8.310 nan 0.000 0.483 2053 W N 1.279 122.597 121.300 0.029 0.000 2.799 2053 W HA 0.673 5.347 4.660 0.023 0.000 0.349 2053 W C 0.256 176.783 176.519 0.013 0.000 1.100 2053 W CA -0.877 56.478 57.345 0.016 0.000 1.174 2053 W CB 1.793 31.259 29.460 0.011 0.000 1.427 2053 W HN 0.727 nan 8.180 nan 0.000 0.547 2054 R N 1.445 122.056 120.500 0.185 0.000 2.637 2054 R HA 0.871 5.226 4.340 0.024 0.000 0.291 2054 R C -0.719 175.673 176.300 0.153 0.000 0.963 2054 R CA -0.382 55.790 56.100 0.120 0.000 0.901 2054 R CB 1.560 31.883 30.300 0.038 0.000 1.160 2054 R HN 0.635 nan 8.270 nan 0.000 0.457 2055 A N 2.295 125.181 122.820 0.112 0.000 2.524 2055 A HA 0.503 4.838 4.320 0.024 0.000 0.289 2055 A C -1.554 176.061 177.584 0.052 0.000 1.248 2055 A CA -0.676 51.419 52.037 0.096 0.000 0.712 2055 A CB 1.776 20.836 19.000 0.101 0.000 1.312 2055 A HN 0.722 nan 8.150 nan 0.000 0.441 2056 E N -0.089 120.136 120.200 0.041 0.000 2.234 2056 E HA 0.640 5.004 4.350 0.024 0.000 0.266 2056 E C -2.111 174.499 176.600 0.017 0.000 0.877 2056 E CA -0.402 56.012 56.400 0.024 0.000 0.758 2056 E CB 1.618 31.330 29.700 0.021 0.000 1.170 2056 E HN 0.537 nan 8.360 nan 0.000 0.415 2057 L N 4.392 125.620 121.223 0.009 0.000 2.404 2057 L HA 0.299 4.653 4.340 0.024 0.000 0.272 2057 L C -1.050 175.820 176.870 0.001 0.000 0.980 2057 L CA -0.515 54.327 54.840 0.004 0.000 0.836 2057 L CB 1.504 43.563 42.059 0.000 0.000 1.238 2057 L HN 0.752 nan 8.230 nan 0.000 0.408 2058 D N 4.066 124.467 120.400 0.001 0.000 2.686 2058 D HA -0.202 4.452 4.640 0.024 0.000 0.235 2058 D C 1.118 177.418 176.300 -0.000 0.000 1.160 2058 D CA 1.482 55.482 54.000 -0.000 0.000 0.645 2058 D CB -0.657 40.141 40.800 -0.003 0.000 1.039 2058 D HN 1.113 nan 8.370 nan 0.000 0.423 2059 G N -0.643 108.158 108.800 0.002 0.000 2.189 2059 G HA2 -0.370 3.604 3.960 0.024 0.000 0.267 2059 G HA3 -0.370 3.604 3.960 0.024 0.000 0.267 2059 G C 0.322 175.223 174.900 0.000 0.000 0.975 2059 G CA 0.850 45.951 45.100 0.002 0.000 0.644 2059 G HN 0.485 nan 8.290 nan 0.000 0.537 2060 K N 0.533 120.932 120.400 -0.001 0.000 2.221 2060 K HA 0.686 5.020 4.320 0.024 0.000 0.258 2060 K C 0.447 177.046 176.600 -0.002 0.000 0.944 2060 K CA -0.098 56.187 56.287 -0.004 0.000 0.823 2060 K CB 1.874 34.368 32.500 -0.009 0.000 1.113 2060 K HN 0.431 nan 8.250 nan 0.000 0.431 2061 A N 2.173 124.991 122.820 -0.003 0.000 2.477 2061 A HA 0.349 4.684 4.320 0.024 0.000 0.246 2061 A C -0.003 177.577 177.584 -0.006 0.000 1.078 2061 A CA -0.356 51.681 52.037 0.000 0.000 0.770 2061 A CB 0.017 19.016 19.000 -0.001 0.000 1.011 2061 A HN 0.493 nan 8.150 nan 0.000 0.494 2062 V N 0.980 120.898 119.914 0.005 0.000 2.789 2062 V HA 0.680 4.814 4.120 0.024 0.000 0.311 2062 V C -0.558 175.549 176.094 0.020 0.000 1.073 2062 V CA -1.088 61.211 62.300 -0.002 0.000 0.921 2062 V CB 1.637 33.460 31.823 -0.001 0.000 1.009 2062 V HN 0.635 nan 8.190 nan 0.000 0.426 2063 I N 3.509 124.083 120.570 0.007 0.000 2.437 2063 I HA 0.576 4.760 4.170 0.024 0.000 0.298 2063 I C -0.120 176.034 176.117 0.060 0.000 0.984 2063 I CA -0.622 60.703 61.300 0.042 0.000 1.214 2063 I CB 1.804 39.817 38.000 0.023 0.000 1.365 2063 I HN 0.534 nan 8.210 nan 0.000 0.469 2064 V N 5.298 125.279 119.914 0.112 0.000 2.448 2064 V HA 0.455 4.590 4.120 0.024 0.000 0.295 2064 V C -0.384 175.800 176.094 0.150 0.000 1.025 2064 V CA -0.485 61.880 62.300 0.109 0.000 0.859 2064 V CB 2.020 33.892 31.823 0.082 0.000 0.988 2064 V HN 0.903 nan 8.190 nan 0.000 0.431 2065 C N 4.894 124.278 119.300 0.140 0.000 2.551 2065 C HA 0.683 5.158 4.460 0.024 0.000 0.332 2065 C C 0.478 175.572 174.990 0.173 0.000 1.139 2065 C CA -0.405 58.718 59.018 0.175 0.000 1.328 2065 C CB 1.139 28.985 27.740 0.178 0.000 1.903 2065 C HN 1.057 nan 8.230 nan 0.000 0.459 2066 S N 3.308 119.117 115.700 0.181 0.000 2.576 2066 S HA 0.361 4.846 4.470 0.024 0.000 0.276 2066 S C 0.945 175.687 174.600 0.237 0.000 1.339 2066 S CA 0.414 58.703 58.200 0.149 0.000 1.039 2066 S CB 1.316 64.567 63.200 0.084 0.000 0.902 2066 S HN 1.043 nan 8.310 nan 0.000 0.516 2067 T N -1.204 113.449 114.554 0.165 0.000 3.015 2067 T HA 0.514 4.878 4.350 0.024 0.000 0.250 2067 T C 1.192 175.945 174.700 0.090 0.000 1.057 2067 T CA 0.270 62.499 62.100 0.215 0.000 1.066 2067 T CB -0.933 68.010 68.868 0.125 0.000 0.959 2067 T HN 1.936 nan 8.240 nan 0.000 0.488 2068 G N 1.515 110.294 108.800 -0.036 0.000 2.829 2068 G HA2 -0.124 3.851 3.960 0.024 0.000 0.628 2068 G HA3 -0.124 3.851 3.960 0.024 0.000 0.628 2068 G C -0.562 174.312 174.900 -0.044 0.000 1.412 2068 G CA -0.537 44.498 45.100 -0.108 0.000 0.864 2068 G HN 0.645 nan 8.290 nan 0.000 0.544 2069 I N 2.076 122.614 120.570 -0.054 0.000 2.496 2069 I HA 0.501 4.685 4.170 0.024 0.000 0.285 2069 I C 1.149 177.257 176.117 -0.015 0.000 1.080 2069 I CA 1.247 62.530 61.300 -0.028 0.000 1.404 2069 I CB 0.573 38.550 38.000 -0.038 0.000 1.403 2069 I HN 1.966 nan 8.210 nan 0.000 0.539 2070 G N 3.883 112.684 108.800 0.000 0.000 2.650 2070 G HA2 -0.066 3.908 3.960 0.024 0.000 0.686 2070 G HA3 -0.066 3.908 3.960 0.024 0.000 0.686 2070 G C 0.516 175.420 174.900 0.007 0.000 1.205 2070 G CA -0.497 44.605 45.100 0.003 0.000 0.781 2070 G HN 0.924 nan 8.290 nan 0.000 0.648 2071 G N 0.671 109.472 108.800 0.002 0.000 2.476 2071 G HA2 0.013 3.988 3.960 0.024 0.000 0.218 2071 G HA3 0.013 3.988 3.960 0.024 0.000 0.218 2071 G C 0.154 175.057 174.900 0.005 0.000 1.164 2071 G CA 2.202 47.301 45.100 -0.001 0.000 0.768 2071 G HN 0.694 nan 8.290 nan 0.000 0.560 2072 P HA -0.150 nan 4.420 nan 0.000 0.213 2072 P C 2.503 179.830 177.300 0.044 0.000 1.170 2072 P CA 2.577 65.678 63.100 0.001 0.000 0.902 2072 P CB -0.295 31.402 31.700 -0.005 0.000 0.789 2073 S N -2.021 113.723 115.700 0.073 0.000 2.383 2073 S HA -0.128 4.356 4.470 0.024 0.000 0.227 2073 S C 1.953 176.693 174.600 0.233 0.000 1.026 2073 S CA 1.827 60.145 58.200 0.197 0.000 0.981 2073 S CB -1.994 61.268 63.200 0.103 0.000 0.818 2073 S HN 0.100 nan 8.310 nan 0.000 0.472 2074 T N 3.165 117.786 114.554 0.111 0.000 2.684 2074 T HA -0.143 4.221 4.350 0.024 0.000 0.267 2074 T C 2.351 177.040 174.700 -0.017 0.000 1.036 2074 T CA 2.016 64.148 62.100 0.053 0.000 1.148 2074 T CB -0.817 68.051 68.868 -0.000 0.000 0.863 2074 T HN 0.803 nan 8.240 nan 0.000 0.436 2075 S N 1.222 116.918 115.700 -0.008 0.000 2.399 2075 S HA -0.047 4.437 4.470 0.024 0.000 0.231 2075 S C 2.074 176.668 174.600 -0.010 0.000 1.022 2075 S CA 0.844 59.042 58.200 -0.002 0.000 0.983 2075 S CB -0.775 62.523 63.200 0.163 0.000 0.803 2075 S HN 0.508 nan 8.310 nan 0.000 0.480 2076 I N 2.157 122.705 120.570 -0.037 0.000 2.163 2076 I HA -0.111 4.073 4.170 0.024 0.000 0.240 2076 I C 3.123 179.104 176.117 -0.227 0.000 1.081 2076 I CA 1.162 62.370 61.300 -0.153 0.000 1.353 2076 I CB -0.708 37.105 38.000 -0.311 0.000 1.054 2076 I HN 0.431 nan 8.210 nan 0.000 0.407 2077 A N 0.406 123.083 122.820 -0.238 0.000 1.877 2077 A HA -0.152 4.183 4.320 0.024 0.000 0.216 2077 A C 2.420 179.958 177.584 -0.076 0.000 1.186 2077 A CA 1.805 53.719 52.037 -0.205 0.000 0.620 2077 A CB -0.992 18.009 19.000 0.002 0.000 0.822 2077 A HN 0.238 nan 8.150 nan 0.000 0.443 2078 V N 0.201 120.024 119.914 -0.151 0.000 2.295 2078 V HA -0.250 3.884 4.120 0.024 0.000 0.246 2078 V C 2.635 178.620 176.094 -0.182 0.000 1.049 2078 V CA 2.464 64.544 62.300 -0.367 0.000 1.024 2078 V CB -0.791 30.614 31.823 -0.697 0.000 0.648 2078 V HN 0.752 nan 8.190 nan 0.000 0.447 2079 E N 0.982 121.114 120.200 -0.113 0.000 2.038 2079 E HA -0.258 4.107 4.350 0.024 0.000 0.195 2079 E C 2.087 178.710 176.600 0.038 0.000 1.000 2079 E CA 2.123 58.517 56.400 -0.010 0.000 0.803 2079 E CB -0.332 29.395 29.700 0.046 0.000 0.750 2079 E HN 0.686 nan 8.360 nan 0.000 0.448 2080 E N -0.205 120.006 120.200 0.019 0.000 2.152 2080 E HA -0.092 4.272 4.350 0.024 0.000 0.192 2080 E C 2.297 178.938 176.600 0.067 0.000 0.983 2080 E CA 0.866 57.287 56.400 0.035 0.000 0.818 2080 E CB -0.119 29.580 29.700 -0.001 0.000 0.758 2080 E HN 0.303 nan 8.360 nan 0.000 0.467 2081 L N 0.658 121.948 121.223 0.112 0.000 2.083 2081 L HA -0.168 4.186 4.340 0.024 0.000 0.209 2081 L C 2.585 179.579 176.870 0.206 0.000 1.083 2081 L CA 0.944 55.892 54.840 0.181 0.000 0.752 2081 L CB -0.431 41.827 42.059 0.333 0.000 0.899 2081 L HN 0.144 nan 8.230 nan 0.000 0.433 2082 A N -0.527 122.462 122.820 0.282 0.000 1.902 2082 A HA -0.252 4.082 4.320 0.024 0.000 0.217 2082 A C 2.208 179.863 177.584 0.118 0.000 1.181 2082 A CA 1.492 53.669 52.037 0.234 0.000 0.623 2082 A CB -0.467 18.655 19.000 0.204 0.000 0.818 2082 A HN 0.466 nan 8.150 nan 0.000 0.443 2083 Q N -0.667 119.188 119.800 0.092 0.000 2.181 2083 Q HA -0.080 4.274 4.340 0.024 0.000 0.205 2083 Q C 1.584 177.614 176.000 0.050 0.000 0.980 2083 Q CA 1.271 57.112 55.803 0.063 0.000 0.862 2083 Q CB -0.262 28.510 28.738 0.056 0.000 0.905 2083 Q HN 0.683 nan 8.270 nan 0.000 0.429 2084 L N -1.379 119.876 121.223 0.053 0.000 2.591 2084 L HA 0.156 4.511 4.340 0.024 0.000 0.228 2084 L C 1.116 178.000 176.870 0.022 0.000 1.133 2084 L CA 0.467 55.327 54.840 0.034 0.000 0.880 2084 L CB 0.333 42.412 42.059 0.033 0.000 1.033 2084 L HN 0.403 nan 8.230 nan 0.000 0.450 2085 G N -0.375 108.441 108.800 0.027 0.000 2.205 2085 G HA2 -0.175 3.800 3.960 0.024 0.000 0.180 2085 G HA3 -0.175 3.800 3.960 0.024 0.000 0.180 2085 G C 0.215 175.100 174.900 -0.024 0.000 1.004 2085 G CA -0.717 44.388 45.100 0.008 0.000 0.670 2085 G HN 0.051 nan 8.290 nan 0.000 0.496 2086 I N 1.198 121.741 120.570 -0.046 0.000 2.556 2086 I HA 0.325 4.510 4.170 0.024 0.000 0.284 2086 I C 1.287 177.300 176.117 -0.173 0.000 1.114 2086 I CA 0.255 61.431 61.300 -0.206 0.000 1.418 2086 I CB 0.992 38.746 38.000 -0.409 0.000 1.394 2086 I HN 0.089 nan 8.210 nan 0.000 0.552 2087 R N 2.901 123.270 120.500 -0.219 0.000 2.469 2087 R HA 0.198 4.552 4.340 0.024 0.000 0.250 2087 R C -0.220 176.035 176.300 -0.076 0.000 0.909 2087 R CA 0.199 56.264 56.100 -0.058 0.000 1.050 2087 R CB 0.578 30.867 30.300 -0.017 0.000 1.256 2087 R HN 0.537 nan 8.270 nan 0.000 0.550 2088 T N 1.210 115.588 114.554 -0.293 0.000 2.841 2088 T HA 0.591 4.956 4.350 0.024 0.000 0.285 2088 T C -1.033 173.416 174.700 -0.420 0.000 0.991 2088 T CA -0.287 61.702 62.100 -0.185 0.000 0.966 2088 T CB 1.312 70.118 68.868 -0.103 0.000 0.962 2088 T HN -0.164 nan 8.240 nan 0.000 0.438 2089 F N 2.586 122.533 119.950 -0.004 0.000 2.507 2089 F HA 0.557 5.100 4.527 0.027 0.000 0.328 2089 F C -0.295 175.502 175.800 -0.005 0.000 1.136 2089 F CA -1.054 56.943 58.000 -0.005 0.000 0.930 2089 F CB 1.389 40.380 39.000 -0.014 0.000 1.166 2089 F HN 0.221 nan 8.300 nan 0.000 0.436 2090 L N 4.284 125.587 121.223 0.133 0.000 2.318 2090 L HA 0.507 4.862 4.340 0.024 0.000 0.277 2090 L C 0.007 176.928 176.870 0.085 0.000 1.008 2090 L CA -0.684 54.205 54.840 0.082 0.000 0.846 2090 L CB 1.614 43.693 42.059 0.034 0.000 1.220 2090 L HN 0.593 nan 8.230 nan 0.000 0.423 2091 R N 3.240 123.786 120.500 0.076 0.000 2.340 2091 R HA 0.447 4.801 4.340 0.024 0.000 0.300 2091 R C -0.874 175.449 176.300 0.038 0.000 1.069 2091 R CA -0.474 55.661 56.100 0.058 0.000 0.984 2091 R CB 1.043 31.369 30.300 0.043 0.000 1.003 2091 R HN 0.529 nan 8.270 nan 0.000 0.459 2092 I N 4.255 124.845 120.570 0.034 0.000 2.382 2092 I HA 0.563 4.747 4.170 0.024 0.000 0.286 2092 I C -0.616 175.514 176.117 0.021 0.000 1.002 2092 I CA -0.068 61.246 61.300 0.024 0.000 1.135 2092 I CB 1.604 39.615 38.000 0.017 0.000 1.288 2092 I HN 0.743 nan 8.210 nan 0.000 0.448 2093 G N 4.162 112.974 108.800 0.021 0.000 3.015 2093 G HA2 0.709 4.684 3.960 0.024 0.000 0.281 2093 G HA3 0.709 4.684 3.960 0.024 0.000 0.281 2093 G C -1.018 173.896 174.900 0.023 0.000 1.386 2093 G CA -0.329 44.783 45.100 0.021 0.000 0.959 2093 G HN 0.621 nan 8.290 nan 0.000 0.522 2094 T N -2.859 111.711 114.554 0.028 0.000 2.918 2094 T HA 0.735 5.100 4.350 0.024 0.000 0.286 2094 T C -0.404 174.323 174.700 0.045 0.000 1.026 2094 T CA -0.660 61.461 62.100 0.035 0.000 1.031 2094 T CB 2.033 70.923 68.868 0.037 0.000 1.046 2094 T HN 0.834 nan 8.240 nan 0.000 0.479 2095 T N -0.162 114.420 114.554 0.046 0.000 2.889 2095 T HA 0.633 4.997 4.350 0.024 0.000 0.315 2095 T C -0.502 174.223 174.700 0.041 0.000 1.291 2095 T CA -0.444 61.682 62.100 0.044 0.000 1.028 2095 T CB 1.292 70.178 68.868 0.030 0.000 1.235 2095 T HN 1.157 nan 8.240 nan 0.000 0.491 2096 G N 1.873 110.698 108.800 0.042 0.000 2.335 2096 G HA2 0.634 4.609 3.960 0.024 0.000 0.314 2096 G HA3 0.634 4.609 3.960 0.024 0.000 0.314 2096 G C 0.092 175.013 174.900 0.035 0.000 1.129 2096 G CA -0.197 44.925 45.100 0.037 0.000 0.912 2096 G HN 0.997 nan 8.290 nan 0.000 0.443 2097 A N 2.250 125.076 122.820 0.009 0.000 2.425 2097 A HA 0.524 4.858 4.320 0.024 0.000 0.249 2097 A C 1.137 178.707 177.584 -0.024 0.000 1.084 2097 A CA -0.329 51.692 52.037 -0.026 0.000 0.781 2097 A CB 0.244 19.222 19.000 -0.037 0.000 1.019 2097 A HN 1.273 nan 8.150 nan 0.000 0.490 2098 I N -2.057 118.476 120.570 -0.061 0.000 4.154 2098 I HA 0.227 4.412 4.170 0.024 0.000 0.334 2098 I C -0.135 175.952 176.117 -0.049 0.000 1.371 2098 I CA -0.300 60.973 61.300 -0.044 0.000 1.110 2098 I CB 0.190 38.139 38.000 -0.084 0.000 1.085 2098 I HN 0.342 nan 8.210 nan 0.000 0.398 2099 Q N 2.250 122.005 119.800 -0.074 0.000 2.243 2099 Q HA 0.351 4.705 4.340 0.024 0.000 0.252 2099 Q C -1.846 174.096 176.000 -0.097 0.000 0.909 2099 Q CA -1.997 53.761 55.803 -0.075 0.000 0.922 2099 Q CB 1.573 30.255 28.738 -0.093 0.000 1.215 2099 Q HN -0.017 nan 8.270 nan 0.000 0.427 2100 P HA -0.179 nan 4.420 nan 0.000 0.216 2100 P C 0.522 177.616 177.300 -0.343 0.000 1.157 2100 P CA 1.665 64.602 63.100 -0.272 0.000 0.880 2100 P CB 0.238 31.696 31.700 -0.404 0.000 0.791 2101 H N -2.210 116.836 119.070 -0.038 0.000 2.549 2101 H HA 0.254 4.825 4.556 0.024 0.000 0.279 2101 H C 0.660 175.962 175.328 -0.043 0.000 1.018 2101 H CA -0.165 55.870 56.048 -0.021 0.000 1.175 2101 H CB -0.050 29.713 29.762 0.002 0.000 1.485 2101 H HN 0.209 nan 8.280 nan 0.000 0.543 2102 I N 3.003 123.541 120.570 -0.053 0.000 2.294 2102 I HA -0.005 4.179 4.170 0.024 0.000 0.295 2102 I C 0.126 176.237 176.117 -0.009 0.000 1.098 2102 I CA -0.198 61.032 61.300 -0.115 0.000 1.277 2102 I CB 0.177 38.016 38.000 -0.268 0.000 1.434 2102 I HN 0.031 nan 8.210 nan 0.000 0.498 2103 N N 5.258 123.994 118.700 0.060 0.000 2.493 2103 N HA 0.232 4.986 4.740 0.024 0.000 0.275 2103 N C -0.248 175.296 175.510 0.056 0.000 1.186 2103 N CA -0.546 52.538 53.050 0.057 0.000 0.978 2103 N CB 1.666 40.200 38.487 0.077 0.000 1.184 2103 N HN 0.157 nan 8.380 nan 0.000 0.487 2104 V N 0.868 120.809 119.914 0.044 0.000 2.617 2104 V HA 0.162 4.296 4.120 0.024 0.000 0.304 2104 V C 1.528 177.657 176.094 0.059 0.000 1.040 2104 V CA 1.415 63.742 62.300 0.045 0.000 1.149 2104 V CB 0.031 31.875 31.823 0.034 0.000 0.914 2104 V HN 1.064 nan 8.190 nan 0.000 0.487 2105 G N 3.749 112.588 108.800 0.065 0.000 2.213 2105 G HA2 -0.190 3.785 3.960 0.024 0.000 0.236 2105 G HA3 -0.190 3.785 3.960 0.024 0.000 0.236 2105 G C -0.039 174.936 174.900 0.125 0.000 0.991 2105 G CA 0.041 45.196 45.100 0.090 0.000 0.629 2105 G HN 0.682 nan 8.290 nan 0.000 0.517 2106 D N 0.126 120.590 120.400 0.108 0.000 2.368 2106 D HA 0.467 5.121 4.640 0.024 0.000 0.240 2106 D C 0.567 176.929 176.300 0.104 0.000 1.169 2106 D CA 0.175 54.246 54.000 0.119 0.000 0.906 2106 D CB 1.558 42.463 40.800 0.175 0.000 1.187 2106 D HN 0.229 nan 8.370 nan 0.000 0.435 2107 V N 2.518 122.482 119.914 0.083 0.000 2.417 2107 V HA 0.344 4.478 4.120 0.024 0.000 0.291 2107 V C -0.003 176.133 176.094 0.069 0.000 1.024 2107 V CA -0.716 61.619 62.300 0.058 0.000 0.861 2107 V CB 1.143 32.977 31.823 0.018 0.000 0.985 2107 V HN 0.279 nan 8.190 nan 0.000 0.436 2108 L N 5.433 126.692 121.223 0.061 0.000 2.305 2108 L HA 0.608 4.962 4.340 0.024 0.000 0.284 2108 L C -0.617 176.271 176.870 0.030 0.000 1.013 2108 L CA -0.758 54.119 54.840 0.061 0.000 0.819 2108 L CB 1.929 44.017 42.059 0.048 0.000 1.227 2108 L HN 0.339 nan 8.230 nan 0.000 0.417 2109 V N 2.001 121.929 119.914 0.023 0.000 2.370 2109 V HA 0.287 4.421 4.120 0.024 0.000 0.279 2109 V C 0.358 176.454 176.094 0.004 0.000 1.029 2109 V CA -0.344 61.959 62.300 0.004 0.000 0.870 2109 V CB 1.638 33.453 31.823 -0.012 0.000 0.984 2109 V HN 0.722 nan 8.190 nan 0.000 0.451 2110 T N 3.567 118.120 114.554 -0.002 0.000 2.743 2110 T HA 0.206 4.571 4.350 0.024 0.000 0.293 2110 T C 1.327 176.025 174.700 -0.004 0.000 0.945 2110 T CA 0.165 62.261 62.100 -0.007 0.000 1.030 2110 T CB 1.230 70.091 68.868 -0.012 0.000 0.912 2110 T HN 0.969 nan 8.240 nan 0.000 0.483 2111 T N 0.906 115.459 114.554 -0.002 0.000 2.894 2111 T HA 0.452 4.816 4.350 0.024 0.000 0.258 2111 T C 0.760 175.464 174.700 0.007 0.000 1.043 2111 T CA 0.325 62.430 62.100 0.009 0.000 1.141 2111 T CB 0.144 69.022 68.868 0.017 0.000 0.873 2111 T HN 0.744 nan 8.240 nan 0.000 0.449 2112 A N -0.064 122.751 122.820 -0.009 0.000 2.601 2112 A HA 0.689 5.024 4.320 0.024 0.000 0.291 2112 A C -1.065 176.496 177.584 -0.038 0.000 1.075 2112 A CA -0.846 51.181 52.037 -0.015 0.000 0.671 2112 A CB 1.326 20.315 19.000 -0.018 0.000 1.277 2112 A HN 0.216 nan 8.150 nan 0.000 0.417 2113 S N -0.304 115.372 115.700 -0.042 0.000 2.513 2113 S HA 0.581 5.065 4.470 0.024 0.000 0.299 2113 S C -0.398 174.140 174.600 -0.102 0.000 1.087 2113 S CA -0.540 57.615 58.200 -0.075 0.000 1.012 2113 S CB 1.677 64.845 63.200 -0.053 0.000 1.044 2113 S HN 0.872 nan 8.310 nan 0.000 0.485 2114 V N 3.354 123.150 119.914 -0.196 0.000 2.521 2114 V HA 0.158 4.293 4.120 0.024 0.000 0.286 2114 V C 0.600 176.596 176.094 -0.164 0.000 1.034 2114 V CA 0.086 62.225 62.300 -0.269 0.000 1.045 2114 V CB -0.124 31.314 31.823 -0.641 0.000 0.974 2114 V HN 0.696 nan 8.190 nan 0.000 0.480 2115 R N 5.307 125.765 120.500 -0.070 0.000 2.891 2115 R HA 0.332 4.686 4.340 0.024 0.000 0.248 2115 R C 0.076 176.407 176.300 0.052 0.000 1.439 2115 R CA -0.136 55.969 56.100 0.007 0.000 1.288 2115 R CB 0.054 30.385 30.300 0.051 0.000 1.212 2115 R HN 0.672 nan 8.270 nan 0.000 0.605 2116 L N 1.994 123.253 121.223 0.061 0.000 2.783 2116 L HA 0.129 4.484 4.340 0.024 0.000 0.236 2116 L C 0.304 177.263 176.870 0.148 0.000 1.225 2116 L CA -0.250 54.699 54.840 0.181 0.000 1.026 2116 L CB -0.673 41.540 42.059 0.257 0.000 1.314 2116 L HN 0.505 nan 8.230 nan 0.000 0.489 2117 D N -1.239 119.221 120.400 0.099 0.000 2.506 2117 D HA 0.307 4.961 4.640 0.024 0.000 0.254 2117 D C 0.781 177.132 176.300 0.086 0.000 1.089 2117 D CA -0.342 53.703 54.000 0.075 0.000 1.050 2117 D CB 1.857 42.684 40.800 0.044 0.000 1.221 2117 D HN -0.071 nan 8.370 nan 0.000 0.589 2118 G N -1.202 107.632 108.800 0.056 0.000 2.724 2118 G HA2 0.231 4.205 3.960 0.024 0.000 0.205 2118 G HA3 0.231 4.205 3.960 0.024 0.000 0.205 2118 G C 1.292 176.191 174.900 -0.001 0.000 1.112 2118 G CA 0.575 45.711 45.100 0.059 0.000 0.793 2118 G HN 0.612 nan 8.290 nan 0.000 0.526 2119 A N 1.766 124.534 122.820 -0.087 0.000 1.969 2119 A HA 0.010 4.345 4.320 0.024 0.000 0.218 2119 A C 2.666 180.328 177.584 0.130 0.000 1.169 2119 A CA 2.325 54.260 52.037 -0.170 0.000 0.635 2119 A CB -0.660 18.300 19.000 -0.067 0.000 0.810 2119 A HN 0.708 nan 8.150 nan 0.000 0.445 2120 S N 0.359 116.154 115.700 0.158 0.000 2.383 2120 S HA -0.148 4.337 4.470 0.024 0.000 0.229 2120 S C 1.720 176.471 174.600 0.251 0.000 1.030 2120 S CA 1.553 59.888 58.200 0.224 0.000 1.002 2120 S CB -0.787 62.493 63.200 0.134 0.000 0.829 2120 S HN 0.456 nan 8.310 nan 0.000 0.467 2121 L N 0.791 122.143 121.223 0.216 0.000 2.362 2121 L HA -0.006 4.349 4.340 0.024 0.000 0.219 2121 L C 2.296 179.262 176.870 0.160 0.000 1.134 2121 L CA 1.063 56.016 54.840 0.188 0.000 0.807 2121 L CB -0.679 41.489 42.059 0.181 0.000 0.927 2121 L HN 0.508 nan 8.230 nan 0.000 0.447 2122 H N -1.911 117.108 119.070 -0.085 0.000 2.547 2122 H HA 0.034 4.601 4.556 0.020 0.000 0.266 2122 H C 1.240 176.198 175.328 -0.617 0.000 0.988 2122 H CA 0.506 56.353 56.048 -0.334 0.000 1.147 2122 H CB 0.436 29.942 29.762 -0.426 0.000 1.365 2122 H HN 0.351 nan 8.280 nan 0.000 0.589 2123 F N -0.247 119.722 119.950 0.033 0.000 2.667 2123 F HA 0.429 4.969 4.527 0.022 0.000 0.288 2123 F C 0.865 176.566 175.800 -0.166 0.000 1.086 2123 F CA -0.020 57.937 58.000 -0.072 0.000 1.297 2123 F CB 1.026 39.969 39.000 -0.095 0.000 1.059 2123 F HN -0.037 nan 8.300 nan 0.000 0.624 2124 A N 0.349 123.178 122.820 0.016 0.000 2.574 2124 A HA 0.633 4.967 4.320 0.024 0.000 0.297 2124 A C -2.799 174.802 177.584 0.028 0.000 1.062 2124 A CA -1.452 50.521 52.037 -0.107 0.000 0.686 2124 A CB 0.740 19.457 19.000 -0.472 0.000 1.285 2124 A HN -0.182 nan 8.150 nan 0.000 0.403 2125 P HA 0.143 nan 4.420 nan 0.000 0.273 2125 P C 0.819 178.201 177.300 0.136 0.000 1.250 2125 P CA -0.257 62.894 63.100 0.084 0.000 0.793 2125 P CB 0.478 32.223 31.700 0.075 0.000 1.011 2126 M N 1.107 120.774 119.600 0.112 0.000 2.202 2126 M HA -0.186 4.309 4.480 0.024 0.000 0.262 2126 M C 1.874 178.250 176.300 0.126 0.000 1.063 2126 M CA 1.738 57.108 55.300 0.116 0.000 1.097 2126 M CB -1.234 31.419 32.600 0.089 0.000 1.382 2126 M HN 0.446 nan 8.290 nan 0.000 0.413 2127 E N -1.198 119.075 120.200 0.122 0.000 2.204 2127 E HA -0.205 4.160 4.350 0.024 0.000 0.195 2127 E C 0.433 177.106 176.600 0.120 0.000 0.990 2127 E CA 0.384 56.845 56.400 0.102 0.000 0.821 2127 E CB -0.901 28.850 29.700 0.085 0.000 0.750 2127 E HN 0.469 nan 8.360 nan 0.000 0.477 2128 F N 4.046 124.016 119.950 0.034 0.000 2.495 2128 F HA 0.155 4.691 4.527 0.015 0.000 0.365 2128 F C -2.013 173.804 175.800 0.029 0.000 1.090 2128 F CA -2.662 55.358 58.000 0.033 0.000 1.235 2128 F CB 0.672 39.698 39.000 0.044 0.000 1.119 2128 F HN -0.121 nan 8.300 nan 0.000 0.562 2129 P HA 0.140 nan 4.420 nan 0.000 0.281 2129 P C -1.204 176.117 177.300 0.035 0.000 1.252 2129 P CA -0.370 62.643 63.100 -0.145 0.000 0.778 2129 P CB 1.195 32.743 31.700 -0.253 0.000 0.895 2130 A N 4.140 127.012 122.820 0.086 0.000 3.048 2130 A HA 0.237 4.572 4.320 0.024 0.000 0.264 2130 A C 0.317 177.928 177.584 0.046 0.000 1.796 2130 A CA -0.278 51.819 52.037 0.099 0.000 1.445 2130 A CB -1.008 18.028 19.000 0.060 0.000 1.074 2130 A HN 0.473 nan 8.150 nan 0.000 0.621 2131 V N 1.713 121.655 119.914 0.046 0.000 2.532 2131 V HA 0.691 4.825 4.120 0.024 0.000 0.295 2131 V C 0.649 176.771 176.094 0.047 0.000 1.041 2131 V CA -0.223 62.090 62.300 0.022 0.000 0.926 2131 V CB 1.353 33.166 31.823 -0.017 0.000 0.992 2131 V HN 0.892 nan 8.190 nan 0.000 0.457 2132 A N 4.298 127.142 122.820 0.040 0.000 2.332 2132 A HA 0.382 4.717 4.320 0.024 0.000 0.258 2132 A C 0.071 177.697 177.584 0.070 0.000 1.087 2132 A CA -0.172 51.892 52.037 0.046 0.000 0.802 2132 A CB 0.148 19.165 19.000 0.028 0.000 1.042 2132 A HN 1.037 nan 8.150 nan 0.000 0.489 2133 D N 0.042 120.486 120.400 0.073 0.000 2.424 2133 D HA 0.118 4.773 4.640 0.024 0.000 0.244 2133 D C 0.675 177.040 176.300 0.109 0.000 1.134 2133 D CA -0.030 54.030 54.000 0.099 0.000 0.881 2133 D CB 0.174 41.026 40.800 0.086 0.000 1.191 2133 D HN 0.384 nan 8.370 nan 0.000 0.445 2134 F N 4.006 123.964 119.950 0.013 0.000 2.134 2134 F HA -0.095 4.446 4.527 0.023 0.000 0.299 2134 F C 2.013 177.818 175.800 0.008 0.000 1.097 2134 F CA 1.744 59.748 58.000 0.007 0.000 1.264 2134 F CB -0.350 38.652 39.000 0.004 0.000 1.001 2134 F HN 0.488 nan 8.300 nan 0.000 0.479 2135 A N -0.524 122.300 122.820 0.007 0.000 1.902 2135 A HA -0.197 4.138 4.320 0.024 0.000 0.217 2135 A C 2.351 179.856 177.584 -0.131 0.000 1.181 2135 A CA 1.751 53.736 52.037 -0.088 0.000 0.623 2135 A CB -1.652 17.370 19.000 0.036 0.000 0.818 2135 A HN 0.569 nan 8.150 nan 0.000 0.443 2136 C N -1.088 118.173 119.300 -0.066 0.000 2.432 2136 C HA -0.075 4.399 4.460 0.024 0.000 0.277 2136 C C 3.054 177.988 174.990 -0.093 0.000 1.249 2136 C CA 1.522 60.507 59.018 -0.054 0.000 1.725 2136 C CB -1.520 26.217 27.740 -0.005 0.000 2.028 2136 C HN 0.649 nan 8.230 nan 0.000 0.477 2137 T N 0.663 115.144 114.554 -0.122 0.000 2.708 2137 T HA -0.174 4.190 4.350 0.024 0.000 0.266 2137 T C 1.800 176.377 174.700 -0.205 0.000 1.037 2137 T CA 2.211 64.229 62.100 -0.136 0.000 1.146 2137 T CB -0.637 68.163 68.868 -0.114 0.000 0.865 2137 T HN 0.588 nan 8.240 nan 0.000 0.435 2138 T N 2.090 116.424 114.554 -0.368 0.000 2.665 2138 T HA -0.119 4.246 4.350 0.024 0.000 0.268 2138 T C 2.379 176.959 174.700 -0.200 0.000 1.035 2138 T CA 1.358 63.234 62.100 -0.372 0.000 1.151 2138 T CB -0.623 67.893 68.868 -0.587 0.000 0.862 2138 T HN 0.458 nan 8.240 nan 0.000 0.438 2139 A N 0.890 123.614 122.820 -0.160 0.000 1.933 2139 A HA 0.028 4.363 4.320 0.024 0.000 0.218 2139 A C 2.312 179.851 177.584 -0.076 0.000 1.175 2139 A CA 1.188 53.167 52.037 -0.097 0.000 0.628 2139 A CB -0.776 18.180 19.000 -0.072 0.000 0.814 2139 A HN 0.481 nan 8.150 nan 0.000 0.444 2140 L N -0.772 120.406 121.223 -0.076 0.000 2.056 2140 L HA -0.137 4.217 4.340 0.024 0.000 0.207 2140 L C 2.528 179.362 176.870 -0.060 0.000 1.078 2140 L CA 0.930 55.737 54.840 -0.055 0.000 0.749 2140 L CB -0.529 41.503 42.059 -0.044 0.000 0.901 2140 L HN 0.232 nan 8.230 nan 0.000 0.433 2141 V N -0.096 119.772 119.914 -0.077 0.000 2.295 2141 V HA -0.281 3.853 4.120 0.024 0.000 0.246 2141 V C 2.377 178.429 176.094 -0.069 0.000 1.049 2141 V CA 1.894 64.150 62.300 -0.074 0.000 1.024 2141 V CB -0.448 31.324 31.823 -0.084 0.000 0.648 2141 V HN 0.455 nan 8.190 nan 0.000 0.447 2142 E N 0.118 120.274 120.200 -0.073 0.000 2.106 2142 E HA -0.164 4.200 4.350 0.024 0.000 0.192 2142 E C 2.312 178.881 176.600 -0.051 0.000 0.984 2142 E CA 1.206 57.570 56.400 -0.060 0.000 0.806 2142 E CB -0.334 29.330 29.700 -0.061 0.000 0.750 2142 E HN 0.600 nan 8.360 nan 0.000 0.458 2143 A N 1.522 124.313 122.820 -0.049 0.000 1.902 2143 A HA -0.127 4.207 4.320 0.024 0.000 0.217 2143 A C 2.392 179.949 177.584 -0.044 0.000 1.181 2143 A CA 1.678 53.691 52.037 -0.040 0.000 0.623 2143 A CB -0.610 18.370 19.000 -0.033 0.000 0.818 2143 A HN 0.295 nan 8.150 nan 0.000 0.443 2144 A N -0.271 122.517 122.820 -0.053 0.000 1.933 2144 A HA -0.144 4.190 4.320 0.024 0.000 0.218 2144 A C 2.105 179.642 177.584 -0.079 0.000 1.175 2144 A CA 1.774 53.771 52.037 -0.068 0.000 0.628 2144 A CB -0.386 18.572 19.000 -0.069 0.000 0.814 2144 A HN 0.541 nan 8.150 nan 0.000 0.444 2145 K N 0.282 120.641 120.400 -0.068 0.000 2.155 2145 K HA -0.094 4.240 4.320 0.024 0.000 0.203 2145 K C 2.358 178.925 176.600 -0.055 0.000 1.052 2145 K CA 1.378 57.627 56.287 -0.065 0.000 0.948 2145 K CB -0.148 32.319 32.500 -0.055 0.000 0.728 2145 K HN 0.658 nan 8.250 nan 0.000 0.448 2146 S N 1.456 117.128 115.700 -0.047 0.000 2.402 2146 S HA -0.116 4.368 4.470 0.024 0.000 0.229 2146 S C 1.932 176.510 174.600 -0.036 0.000 1.021 2146 S CA 1.038 59.217 58.200 -0.037 0.000 0.974 2146 S CB -0.516 62.667 63.200 -0.029 0.000 0.800 2146 S HN 0.465 nan 8.310 nan 0.000 0.484 2147 I N -2.501 118.040 120.570 -0.048 0.000 3.956 2147 I HA 0.567 4.751 4.170 0.024 0.000 0.333 2147 I C 1.328 177.394 176.117 -0.084 0.000 1.302 2147 I CA 0.152 61.423 61.300 -0.047 0.000 1.122 2147 I CB -0.350 37.633 38.000 -0.029 0.000 1.013 2147 I HN 0.318 nan 8.210 nan 0.000 0.405 2148 G N 1.778 110.520 108.800 -0.096 0.000 2.198 2148 G HA2 -0.221 3.753 3.960 0.024 0.000 0.260 2148 G HA3 -0.221 3.753 3.960 0.024 0.000 0.260 2148 G C 0.366 175.158 174.900 -0.180 0.000 1.025 2148 G CA 0.135 45.170 45.100 -0.110 0.000 0.769 2148 G HN 0.967 nan 8.290 nan 0.000 0.507 2149 A N -0.161 122.506 122.820 -0.256 0.000 2.371 2149 A HA 0.695 5.029 4.320 0.024 0.000 0.257 2149 A C 0.909 178.361 177.584 -0.220 0.000 1.089 2149 A CA 0.733 52.542 52.037 -0.380 0.000 0.794 2149 A CB 0.419 19.146 19.000 -0.455 0.000 1.029 2149 A HN 0.845 nan 8.150 nan 0.000 0.488 2150 T N 2.985 117.431 114.554 -0.179 0.000 2.751 2150 T HA 0.381 4.745 4.350 0.024 0.000 0.290 2150 T C 0.064 174.674 174.700 -0.151 0.000 0.919 2150 T CA 0.664 62.681 62.100 -0.138 0.000 1.136 2150 T CB -0.325 68.510 68.868 -0.055 0.000 0.875 2150 T HN 0.626 nan 8.240 nan 0.000 0.532 2151 T N 4.596 119.000 114.554 -0.250 0.000 2.861 2151 T HA 0.400 4.765 4.350 0.024 0.000 0.287 2151 T C -0.630 173.843 174.700 -0.378 0.000 1.003 2151 T CA -0.800 61.178 62.100 -0.203 0.000 0.977 2151 T CB 1.091 69.881 68.868 -0.129 0.000 0.996 2151 T HN 0.543 nan 8.240 nan 0.000 0.448 2152 H N 0.839 119.900 119.070 -0.015 0.000 2.572 2152 H HA 0.615 5.185 4.556 0.024 0.000 0.359 2152 H C -0.994 174.325 175.328 -0.015 0.000 1.134 2152 H CA -0.595 55.446 56.048 -0.011 0.000 1.187 2152 H CB 2.090 31.849 29.762 -0.004 0.000 1.597 2152 H HN 0.275 nan 8.280 nan 0.000 0.524 2153 V N 1.852 121.822 119.914 0.093 0.000 2.540 2153 V HA 0.706 4.841 4.120 0.024 0.000 0.302 2153 V C 0.498 176.618 176.094 0.043 0.000 1.035 2153 V CA -0.163 62.163 62.300 0.043 0.000 0.873 2153 V CB 1.424 33.254 31.823 0.011 0.000 0.992 2153 V HN 1.120 nan 8.190 nan 0.000 0.428 2154 G N 3.152 111.966 108.800 0.023 0.000 2.404 2154 G HA2 0.326 4.300 3.960 0.024 0.000 0.253 2154 G HA3 0.326 4.300 3.960 0.024 0.000 0.253 2154 G C -1.386 173.508 174.900 -0.011 0.000 1.253 2154 G CA -0.343 44.763 45.100 0.011 0.000 0.917 2154 G HN 0.553 nan 8.290 nan 0.000 0.480 2155 V N 0.855 120.753 119.914 -0.026 0.000 2.607 2155 V HA 0.654 4.788 4.120 0.024 0.000 0.289 2155 V C 0.284 176.323 176.094 -0.092 0.000 1.053 2155 V CA 0.008 62.275 62.300 -0.056 0.000 0.996 2155 V CB 1.344 33.132 31.823 -0.059 0.000 0.995 2155 V HN 0.793 nan 8.190 nan 0.000 0.476 2156 T N 3.468 117.953 114.554 -0.115 0.000 2.841 2156 T HA 0.638 5.002 4.350 0.024 0.000 0.283 2156 T C -0.120 174.449 174.700 -0.217 0.000 1.000 2156 T CA -0.296 61.718 62.100 -0.144 0.000 0.977 2156 T CB 1.633 70.451 68.868 -0.084 0.000 0.979 2156 T HN 0.911 nan 8.240 nan 0.000 0.446 2157 A N 2.333 124.967 122.820 -0.311 0.000 2.309 2157 A HA 0.617 4.951 4.320 0.024 0.000 0.290 2157 A C 0.388 177.907 177.584 -0.109 0.000 1.206 2157 A CA -0.418 51.393 52.037 -0.377 0.000 0.850 2157 A CB 0.321 18.917 19.000 -0.673 0.000 1.118 2157 A HN 0.632 nan 8.150 nan 0.000 0.523 2158 S N 2.139 117.787 115.700 -0.087 0.000 2.498 2158 S HA 0.527 5.011 4.470 0.024 0.000 0.324 2158 S C -0.159 174.448 174.600 0.011 0.000 1.071 2158 S CA -0.339 57.852 58.200 -0.015 0.000 1.113 2158 S CB 0.419 63.604 63.200 -0.025 0.000 0.976 2158 S HN 0.945 nan 8.310 nan 0.000 0.462 2159 S N 3.243 118.952 115.700 0.016 0.000 2.501 2159 S HA 0.367 4.851 4.470 0.024 0.000 0.301 2159 S C 0.380 174.961 174.600 -0.032 0.000 1.096 2159 S CA -0.624 57.563 58.200 -0.022 0.000 1.063 2159 S CB 1.194 64.317 63.200 -0.129 0.000 1.042 2159 S HN 0.715 nan 8.310 nan 0.000 0.494 2160 D N 1.994 122.384 120.400 -0.018 0.000 2.371 2160 D HA 0.098 4.752 4.640 0.024 0.000 0.221 2160 D C 0.716 177.001 176.300 -0.026 0.000 0.986 2160 D CA 0.845 54.842 54.000 -0.006 0.000 0.899 2160 D CB 0.175 40.991 40.800 0.026 0.000 0.902 2160 D HN 0.707 nan 8.370 nan 0.000 0.530 2161 T N -4.042 110.460 114.554 -0.087 0.000 2.906 2161 T HA 0.290 4.654 4.350 0.024 0.000 0.295 2161 T C 0.515 175.144 174.700 -0.119 0.000 1.061 2161 T CA -0.887 61.173 62.100 -0.067 0.000 1.000 2161 T CB 1.218 70.036 68.868 -0.084 0.000 1.103 2161 T HN -0.120 nan 8.240 nan 0.000 0.486 2162 F N 0.186 119.995 119.950 -0.236 0.000 2.335 2162 F HA 0.173 4.714 4.527 0.024 0.000 0.296 2162 F C 0.988 176.437 175.800 -0.585 0.000 1.091 2162 F CA 0.825 58.562 58.000 -0.439 0.000 1.399 2162 F CB -0.028 38.645 39.000 -0.545 0.000 1.067 2162 F HN 0.692 nan 8.300 nan 0.000 0.520 2163 Y N 0.433 120.683 120.300 -0.084 0.000 2.344 2163 Y HA 0.148 4.711 4.550 0.022 0.000 0.261 2163 Y C -0.509 175.208 175.900 -0.306 0.000 1.080 2163 Y CA 0.314 58.320 58.100 -0.157 0.000 1.151 2163 Y CB -1.857 36.599 38.460 -0.008 0.000 1.059 2163 Y HN -0.237 nan 8.280 nan 0.000 0.490 2164 P HA -0.083 nan 4.420 nan 0.000 0.217 2164 P C 1.441 178.434 177.300 -0.512 0.000 1.151 2164 P CA 2.134 65.089 63.100 -0.242 0.000 0.828 2164 P CB -0.206 31.421 31.700 -0.121 0.000 0.788 2165 G N -0.061 108.296 108.800 -0.739 0.000 2.559 2165 G HA2 -0.184 3.790 3.960 0.024 0.000 0.216 2165 G HA3 -0.184 3.790 3.960 0.024 0.000 0.216 2165 G C 1.308 175.713 174.900 -0.825 0.000 1.126 2165 G CA 0.245 44.555 45.100 -1.316 0.000 0.778 2165 G HN 0.377 nan 8.290 nan 0.000 0.543 2166 Q N -0.551 118.784 119.800 -0.775 0.000 2.188 2166 Q HA 0.203 4.557 4.340 0.024 0.000 0.212 2166 Q C 0.032 175.687 176.000 -0.575 0.000 0.846 2166 Q CA -0.288 54.820 55.803 -1.158 0.000 0.989 2166 Q CB 0.511 28.420 28.738 -1.382 0.000 1.114 2166 Q HN 0.579 nan 8.270 nan 0.000 0.488 2167 E N 1.757 121.746 120.200 -0.352 0.000 2.269 2167 E HA -0.235 4.129 4.350 0.024 0.000 0.223 2167 E C -0.891 175.518 176.600 -0.317 0.000 1.244 2167 E CA 0.161 56.400 56.400 -0.269 0.000 0.713 2167 E CB -0.330 29.362 29.700 -0.013 0.000 1.178 2167 E HN 0.343 nan 8.360 nan 0.000 0.370 2168 R N 0.065 120.372 120.500 -0.323 0.000 2.308 2168 R HA 0.176 4.531 4.340 0.024 0.000 0.305 2168 R C 0.305 176.482 176.300 -0.206 0.000 1.053 2168 R CA -0.098 55.910 56.100 -0.152 0.000 0.957 2168 R CB 0.461 30.736 30.300 -0.042 0.000 1.022 2168 R HN 0.220 nan 8.270 nan 0.000 0.461 2169 Y N -0.239 120.094 120.300 0.055 0.000 2.458 2169 Y HA 0.073 4.638 4.550 0.025 0.000 0.254 2169 Y C 0.264 176.189 175.900 0.042 0.000 1.120 2169 Y CA -0.163 57.963 58.100 0.042 0.000 1.282 2169 Y CB 0.679 39.155 38.460 0.025 0.000 1.109 2169 Y HN 0.453 nan 8.280 nan 0.000 0.526 2170 D N 1.557 122.072 120.400 0.190 0.000 2.688 2170 D HA 0.076 4.731 4.640 0.024 0.000 0.228 2170 D C 0.378 176.728 176.300 0.085 0.000 1.116 2170 D CA 0.351 54.433 54.000 0.135 0.000 1.023 2170 D CB -0.252 40.633 40.800 0.141 0.000 1.100 2170 D HN 0.248 nan 8.370 nan 0.000 0.487 2171 T N -3.726 110.849 114.554 0.035 0.000 2.864 2171 T HA 0.201 4.566 4.350 0.024 0.000 0.289 2171 T C 1.020 175.717 174.700 -0.005 0.000 1.082 2171 T CA -0.878 61.188 62.100 -0.056 0.000 1.009 2171 T CB 0.993 69.807 68.868 -0.090 0.000 1.234 2171 T HN 0.100 nan 8.240 nan 0.000 0.526 2172 Y N 1.514 121.740 120.300 -0.122 0.000 2.114 2172 Y HA -0.199 4.364 4.550 0.023 0.000 0.282 2172 Y C 2.745 178.623 175.900 -0.037 0.000 1.165 2172 Y CA 2.799 60.854 58.100 -0.075 0.000 1.148 2172 Y CB -0.280 38.128 38.460 -0.088 0.000 0.972 2172 Y HN 0.762 nan 8.280 nan 0.000 0.504 2173 S N -1.171 114.458 115.700 -0.117 0.000 2.458 2173 S HA 0.144 4.628 4.470 0.024 0.000 0.223 2173 S C 1.870 176.417 174.600 -0.088 0.000 1.019 2173 S CA 0.588 58.688 58.200 -0.166 0.000 0.937 2173 S CB -0.411 62.784 63.200 -0.008 0.000 0.788 2173 S HN 0.971 nan 8.310 nan 0.000 0.511 2174 G N 1.575 110.366 108.800 -0.015 0.000 2.166 2174 G HA2 -0.341 3.634 3.960 0.024 0.000 0.260 2174 G HA3 -0.341 3.634 3.960 0.024 0.000 0.260 2174 G C 0.064 175.062 174.900 0.163 0.000 0.986 2174 G CA 0.576 45.722 45.100 0.077 0.000 0.683 2174 G HN 0.842 nan 8.290 nan 0.000 0.527 2175 R N -0.543 120.012 120.500 0.093 0.000 2.532 2175 R HA 0.669 5.023 4.340 0.024 0.000 0.295 2175 R C -0.857 175.471 176.300 0.048 0.000 0.968 2175 R CA -0.635 55.531 56.100 0.110 0.000 0.916 2175 R CB 1.670 32.008 30.300 0.063 0.000 1.124 2175 R HN 0.104 nan 8.270 nan 0.000 0.463 2176 V N 4.833 124.789 119.914 0.071 0.000 2.483 2176 V HA 0.207 4.341 4.120 0.024 0.000 0.297 2176 V C 0.007 176.157 176.094 0.094 0.000 1.027 2176 V CA -0.886 61.405 62.300 -0.014 0.000 0.855 2176 V CB 1.647 33.328 31.823 -0.237 0.000 0.995 2176 V HN 0.677 nan 8.190 nan 0.000 0.424 2177 V N 6.127 126.112 119.914 0.119 0.000 2.928 2177 V HA 0.021 4.155 4.120 0.024 0.000 0.307 2177 V C 1.876 178.038 176.094 0.114 0.000 1.105 2177 V CA 0.827 63.203 62.300 0.126 0.000 1.223 2177 V CB 0.824 32.741 31.823 0.157 0.000 0.930 2177 V HN 0.980 nan 8.190 nan 0.000 0.499 2178 R N 3.754 124.292 120.500 0.063 0.000 2.134 2178 R HA -0.242 4.113 4.340 0.024 0.000 0.248 2178 R C 2.334 178.621 176.300 -0.022 0.000 1.143 2178 R CA 2.625 58.741 56.100 0.027 0.000 0.957 2178 R CB -0.379 29.927 30.300 0.009 0.000 0.867 2178 R HN 0.847 nan 8.270 nan 0.000 0.441 2179 R N -0.678 119.772 120.500 -0.083 0.000 2.133 2179 R HA -0.189 4.166 4.340 0.024 0.000 0.247 2179 R C 1.386 177.441 176.300 -0.408 0.000 1.151 2179 R CA 2.134 58.059 56.100 -0.291 0.000 0.971 2179 R CB -0.222 29.812 30.300 -0.444 0.000 0.866 2179 R HN 0.325 nan 8.270 nan 0.000 0.447 2180 F N 0.325 120.291 119.950 0.026 0.000 2.695 2180 F HA 0.211 4.760 4.527 0.037 0.000 0.303 2180 F C 0.608 176.407 175.800 -0.002 0.000 1.091 2180 F CA -0.422 57.590 58.000 0.020 0.000 1.300 2180 F CB 0.343 39.357 39.000 0.023 0.000 1.071 2180 F HN -0.147 nan 8.300 nan 0.000 0.578 2181 K N 1.019 121.498 120.400 0.131 0.000 2.436 2181 K HA 0.223 4.557 4.320 0.024 0.000 0.282 2181 K C 1.195 177.831 176.600 0.060 0.000 1.044 2181 K CA 0.970 57.334 56.287 0.129 0.000 1.028 2181 K CB 0.112 32.675 32.500 0.105 0.000 0.919 2181 K HN 0.399 nan 8.250 nan 0.000 0.474 2182 G N 2.689 111.541 108.800 0.086 0.000 2.162 2182 G HA2 -0.362 3.613 3.960 0.024 0.000 0.260 2182 G HA3 -0.362 3.613 3.960 0.024 0.000 0.260 2182 G C 0.770 175.616 174.900 -0.089 0.000 0.976 2182 G CA 0.851 45.956 45.100 0.007 0.000 0.655 2182 G HN 0.805 nan 8.290 nan 0.000 0.533 2183 S N -0.671 114.981 115.700 -0.079 0.000 2.387 2183 S HA 0.036 4.521 4.470 0.024 0.000 0.226 2183 S C 2.269 176.630 174.600 -0.399 0.000 1.026 2183 S CA 1.650 59.657 58.200 -0.322 0.000 0.972 2183 S CB -0.275 62.916 63.200 -0.014 0.000 0.814 2183 S HN 0.685 nan 8.310 nan 0.000 0.477 2184 M N 1.615 121.233 119.600 0.031 0.000 2.086 2184 M HA -0.140 4.354 4.480 0.024 0.000 0.261 2184 M C 2.138 178.456 176.300 0.030 0.000 1.067 2184 M CA 1.912 57.321 55.300 0.181 0.000 1.116 2184 M CB -0.325 32.444 32.600 0.281 0.000 1.348 2184 M HN 0.364 nan 8.290 nan 0.000 0.407 2185 E N -0.015 120.174 120.200 -0.018 0.000 2.085 2185 E HA -0.291 4.074 4.350 0.024 0.000 0.194 2185 E C 1.871 178.419 176.600 -0.086 0.000 0.994 2185 E CA 1.821 58.200 56.400 -0.035 0.000 0.801 2185 E CB -0.317 29.362 29.700 -0.034 0.000 0.743 2185 E HN 0.664 nan 8.360 nan 0.000 0.453 2186 E N 0.437 120.504 120.200 -0.223 0.000 2.038 2186 E HA -0.217 4.147 4.350 0.024 0.000 0.195 2186 E C 1.826 178.338 176.600 -0.145 0.000 1.000 2186 E CA 1.459 57.681 56.400 -0.297 0.000 0.803 2186 E CB -0.231 29.113 29.700 -0.593 0.000 0.750 2186 E HN 0.397 nan 8.360 nan 0.000 0.448 2187 W N 1.002 122.303 121.300 0.003 0.000 2.358 2187 W HA -0.152 4.513 4.660 0.009 0.000 0.303 2187 W C 2.714 179.194 176.519 -0.065 0.000 1.208 2187 W CA 0.514 57.831 57.345 -0.046 0.000 1.274 2187 W CB -0.195 29.198 29.460 -0.111 0.000 1.138 2187 W HN 0.214 nan 8.180 nan 0.000 0.515 2188 Q N 0.500 120.381 119.800 0.136 0.000 2.061 2188 Q HA -0.218 4.136 4.340 0.024 0.000 0.204 2188 Q C 2.521 178.548 176.000 0.046 0.000 0.984 2188 Q CA 1.939 57.776 55.803 0.057 0.000 0.846 2188 Q CB -0.668 28.087 28.738 0.028 0.000 0.902 2188 Q HN 0.339 nan 8.270 nan 0.000 0.421 2189 A N 0.464 123.305 122.820 0.035 0.000 2.019 2189 A HA -0.134 4.200 4.320 0.024 0.000 0.219 2189 A C 1.844 179.455 177.584 0.045 0.000 1.164 2189 A CA 1.229 53.282 52.037 0.026 0.000 0.644 2189 A CB -0.364 18.639 19.000 0.004 0.000 0.805 2189 A HN 0.320 nan 8.150 nan 0.000 0.449 2190 M N -1.206 118.443 119.600 0.082 0.000 2.561 2190 M HA 0.173 4.667 4.480 0.024 0.000 0.238 2190 M C 1.313 177.658 176.300 0.075 0.000 1.131 2190 M CA 0.721 56.081 55.300 0.098 0.000 1.046 2190 M CB 0.189 32.897 32.600 0.179 0.000 1.532 2190 M HN 0.604 nan 8.290 nan 0.000 0.497 2191 G N 0.632 109.466 108.800 0.055 0.000 2.159 2191 G HA2 -0.212 3.763 3.960 0.024 0.000 0.256 2191 G HA3 -0.212 3.763 3.960 0.024 0.000 0.256 2191 G C 0.107 175.012 174.900 0.008 0.000 0.977 2191 G CA -0.162 44.955 45.100 0.028 0.000 0.652 2191 G HN 0.321 nan 8.290 nan 0.000 0.531 2192 V N 1.713 121.637 119.914 0.017 0.000 2.599 2192 V HA 0.161 4.296 4.120 0.024 0.000 0.300 2192 V C 1.876 177.920 176.094 -0.084 0.000 1.034 2192 V CA 1.206 63.477 62.300 -0.048 0.000 1.115 2192 V CB 1.173 32.954 31.823 -0.070 0.000 0.934 2192 V HN 0.409 nan 8.190 nan 0.000 0.485 2193 M N 3.255 122.793 119.600 -0.104 0.000 2.287 2193 M HA 0.104 4.598 4.480 0.024 0.000 0.266 2193 M C 0.591 176.810 176.300 -0.135 0.000 1.079 2193 M CA 1.000 56.236 55.300 -0.107 0.000 1.146 2193 M CB -0.008 32.546 32.600 -0.077 0.000 1.374 2193 M HN 0.953 nan 8.290 nan 0.000 0.435 2194 N N -1.687 116.904 118.700 -0.181 0.000 3.185 2194 N HA 0.158 4.912 4.740 0.024 0.000 0.238 2194 N C -2.022 173.342 175.510 -0.244 0.000 1.451 2194 N CA -0.662 52.286 53.050 -0.169 0.000 0.888 2194 N CB 1.082 39.527 38.487 -0.069 0.000 1.413 2194 N HN -0.109 nan 8.380 nan 0.000 0.511 2195 Y N -0.127 120.128 120.300 -0.075 0.000 2.377 2195 Y HA 0.502 5.064 4.550 0.020 0.000 0.339 2195 Y C 0.351 176.197 175.900 -0.090 0.000 1.011 2195 Y CA -0.130 57.908 58.100 -0.103 0.000 1.093 2195 Y CB 1.545 39.923 38.460 -0.136 0.000 1.201 2195 Y HN 0.808 nan 8.280 nan 0.000 0.455 2196 E N 0.066 120.328 120.200 0.103 0.000 2.368 2196 E HA 0.532 4.896 4.350 0.024 0.000 0.257 2196 E C -1.074 175.546 176.600 0.033 0.000 1.022 2196 E CA -0.732 55.699 56.400 0.052 0.000 0.886 2196 E CB 1.153 30.873 29.700 0.034 0.000 1.740 2196 E HN 0.445 nan 8.360 nan 0.000 0.456 2197 M N -0.524 119.091 119.600 0.025 0.000 2.410 2197 M HA 0.336 4.830 4.480 0.024 0.000 0.376 2197 M C -0.289 176.016 176.300 0.009 0.000 1.051 2197 M CA 0.221 55.530 55.300 0.015 0.000 0.949 2197 M CB 0.703 33.318 32.600 0.025 0.000 1.577 2197 M HN 0.529 nan 8.290 nan 0.000 0.560 2198 E N -0.953 119.251 120.200 0.007 0.000 2.603 2198 E HA 0.069 4.433 4.350 0.024 0.000 0.218 2198 E C 1.740 178.333 176.600 -0.012 0.000 0.878 2198 E CA 0.528 56.927 56.400 -0.001 0.000 1.348 2198 E CB 0.412 30.114 29.700 0.004 0.000 1.318 2198 E HN 0.296 nan 8.360 nan 0.000 0.673 2199 S N 0.846 116.540 115.700 -0.010 0.000 2.383 2199 S HA -0.079 4.405 4.470 0.024 0.000 0.227 2199 S C 2.220 176.809 174.600 -0.019 0.000 1.026 2199 S CA 0.942 59.133 58.200 -0.015 0.000 0.981 2199 S CB -0.258 62.934 63.200 -0.013 0.000 0.818 2199 S HN 0.225 nan 8.310 nan 0.000 0.472 2200 A N 1.822 124.635 122.820 -0.013 0.000 1.883 2200 A HA -0.050 4.285 4.320 0.024 0.000 0.217 2200 A C 2.448 180.033 177.584 0.001 0.000 1.186 2200 A CA 2.203 54.240 52.037 -0.000 0.000 0.624 2200 A CB -1.720 17.284 19.000 0.008 0.000 0.822 2200 A HN 0.574 nan 8.150 nan 0.000 0.444 2201 T N -0.006 114.541 114.554 -0.012 0.000 2.674 2201 T HA -0.127 4.238 4.350 0.024 0.000 0.265 2201 T C 1.877 176.497 174.700 -0.134 0.000 1.039 2201 T CA 1.513 63.591 62.100 -0.037 0.000 1.150 2201 T CB -0.440 68.413 68.868 -0.024 0.000 0.864 2201 T HN 0.338 nan 8.240 nan 0.000 0.427 2202 L N 1.078 122.228 121.223 -0.122 0.000 1.989 2202 L HA -0.041 4.314 4.340 0.024 0.000 0.211 2202 L C 2.214 178.992 176.870 -0.153 0.000 1.071 2202 L CA 1.733 56.471 54.840 -0.172 0.000 0.749 2202 L CB -0.728 41.268 42.059 -0.105 0.000 0.890 2202 L HN 0.253 nan 8.230 nan 0.000 0.431 2203 L N -1.378 119.804 121.223 -0.069 0.000 2.056 2203 L HA -0.187 4.168 4.340 0.024 0.000 0.207 2203 L C 2.364 179.237 176.870 0.005 0.000 1.078 2203 L CA 1.733 56.563 54.840 -0.018 0.000 0.749 2203 L CB -1.224 40.844 42.059 0.014 0.000 0.901 2203 L HN 0.311 nan 8.230 nan 0.000 0.433 2204 T N 0.677 115.234 114.554 0.005 0.000 2.708 2204 T HA -0.218 4.147 4.350 0.024 0.000 0.266 2204 T C 1.864 176.485 174.700 -0.132 0.000 1.037 2204 T CA 1.933 64.062 62.100 0.048 0.000 1.146 2204 T CB -0.276 68.644 68.868 0.088 0.000 0.865 2204 T HN 0.444 nan 8.240 nan 0.000 0.435 2205 M N 0.317 119.697 119.600 -0.367 0.000 2.229 2205 M HA -0.016 4.479 4.480 0.024 0.000 0.264 2205 M C 2.256 178.285 176.300 -0.452 0.000 1.063 2205 M CA 1.494 56.317 55.300 -0.796 0.000 1.114 2205 M CB -1.115 30.512 32.600 -1.623 0.000 1.387 2205 M HN 0.178 nan 8.290 nan 0.000 0.420 2206 C N 1.359 120.488 119.300 -0.285 0.000 2.500 2206 C HA 0.160 4.634 4.460 0.024 0.000 0.279 2206 C C 3.289 178.268 174.990 -0.018 0.000 1.288 2206 C CA 1.004 59.941 59.018 -0.135 0.000 1.710 2206 C CB -1.166 26.529 27.740 -0.076 0.000 2.052 2206 C HN 0.763 nan 8.230 nan 0.000 0.488 2207 A N 0.967 123.815 122.820 0.047 0.000 2.019 2207 A HA -0.123 4.211 4.320 0.024 0.000 0.219 2207 A C 2.123 179.828 177.584 0.202 0.000 1.164 2207 A CA 2.087 54.230 52.037 0.177 0.000 0.644 2207 A CB -0.565 18.617 19.000 0.303 0.000 0.805 2207 A HN 0.718 nan 8.150 nan 0.000 0.449 2208 S N -2.025 113.671 115.700 -0.007 0.000 2.556 2208 S HA 0.191 4.676 4.470 0.024 0.000 0.216 2208 S C 0.877 175.441 174.600 -0.061 0.000 0.970 2208 S CA 0.182 58.276 58.200 -0.177 0.000 0.912 2208 S CB 0.100 62.957 63.200 -0.570 0.000 0.790 2208 S HN 0.622 nan 8.310 nan 0.000 0.504 2209 Q N 0.224 120.013 119.800 -0.018 0.000 2.057 2209 Q HA 0.337 4.691 4.340 0.024 0.000 0.216 2209 Q C 0.639 176.660 176.000 0.035 0.000 0.788 2209 Q CA 0.058 55.866 55.803 0.009 0.000 1.053 2209 Q CB 1.088 29.822 28.738 -0.007 0.000 1.210 2209 Q HN 0.628 nan 8.270 nan 0.000 0.455 2210 G N 1.479 110.310 108.800 0.052 0.000 2.160 2210 G HA2 -0.276 3.698 3.960 0.024 0.000 0.251 2210 G HA3 -0.276 3.698 3.960 0.024 0.000 0.251 2210 G C -0.091 174.855 174.900 0.075 0.000 1.008 2210 G CA 0.246 45.385 45.100 0.064 0.000 0.724 2210 G HN 0.263 nan 8.290 nan 0.000 0.514 2211 L N -0.397 120.876 121.223 0.083 0.000 2.331 2211 L HA 0.627 4.982 4.340 0.024 0.000 0.275 2211 L C 0.955 177.905 176.870 0.134 0.000 1.022 2211 L CA -1.112 53.809 54.840 0.135 0.000 0.812 2211 L CB 1.335 43.503 42.059 0.182 0.000 1.257 2211 L HN 0.052 nan 8.230 nan 0.000 0.435 2212 R N 1.943 122.535 120.500 0.153 0.000 2.254 2212 R HA 0.728 5.082 4.340 0.024 0.000 0.318 2212 R C -0.691 175.710 176.300 0.168 0.000 1.031 2212 R CA -0.471 55.703 56.100 0.125 0.000 0.905 2212 R CB 1.522 31.871 30.300 0.081 0.000 1.050 2212 R HN 0.697 nan 8.270 nan 0.000 0.456 2213 A N 1.656 124.550 122.820 0.123 0.000 2.414 2213 A HA 0.784 5.118 4.320 0.024 0.000 0.306 2213 A C -0.571 177.055 177.584 0.071 0.000 1.054 2213 A CA -0.669 51.440 52.037 0.121 0.000 0.724 2213 A CB 2.089 21.136 19.000 0.079 0.000 1.267 2213 A HN 0.761 nan 8.150 nan 0.000 0.418 2214 G N -0.090 108.748 108.800 0.063 0.000 2.533 2214 G HA2 0.668 4.643 3.960 0.024 0.000 0.304 2214 G HA3 0.668 4.643 3.960 0.024 0.000 0.304 2214 G C -1.114 173.804 174.900 0.030 0.000 1.263 2214 G CA -0.579 44.540 45.100 0.030 0.000 0.964 2214 G HN 1.038 nan 8.290 nan 0.000 0.479 2215 M N 1.806 121.414 119.600 0.015 0.000 2.213 2215 M HA 0.682 5.176 4.480 0.024 0.000 0.286 2215 M C -1.837 174.468 176.300 0.008 0.000 1.008 2215 M CA -0.873 54.435 55.300 0.014 0.000 0.937 2215 M CB 1.834 34.438 32.600 0.008 0.000 1.600 2215 M HN 0.676 nan 8.290 nan 0.000 0.450 2216 V N 4.152 124.074 119.914 0.012 0.000 2.841 2216 V HA 1.048 5.183 4.120 0.024 0.000 0.310 2216 V C -1.648 174.457 176.094 0.018 0.000 1.090 2216 V CA 0.139 62.446 62.300 0.012 0.000 0.930 2216 V CB 1.983 33.811 31.823 0.008 0.000 1.014 2216 V HN 1.217 nan 8.190 nan 0.000 0.425 2217 A N 3.680 126.513 122.820 0.022 0.000 2.549 2217 A HA 0.906 5.240 4.320 0.024 0.000 0.297 2217 A C -0.277 177.328 177.584 0.036 0.000 1.061 2217 A CA -0.140 51.913 52.037 0.027 0.000 0.690 2217 A CB 1.866 20.880 19.000 0.024 0.000 1.287 2217 A HN 1.592 nan 8.150 nan 0.000 0.402 2218 G N 0.103 108.926 108.800 0.038 0.000 2.332 2218 G HA2 0.526 4.500 3.960 0.024 0.000 0.310 2218 G HA3 0.526 4.500 3.960 0.024 0.000 0.310 2218 G C -0.492 174.435 174.900 0.045 0.000 1.123 2218 G CA -0.356 44.773 45.100 0.048 0.000 0.873 2218 G HN 0.904 nan 8.290 nan 0.000 0.460 2219 V N 3.671 123.615 119.914 0.051 0.000 2.470 2219 V HA 0.087 4.221 4.120 0.024 0.000 0.276 2219 V C 1.378 177.497 176.094 0.041 0.000 1.040 2219 V CA 0.134 62.459 62.300 0.043 0.000 1.008 2219 V CB 0.727 32.576 31.823 0.043 0.000 0.990 2219 V HN 0.769 nan 8.190 nan 0.000 0.477 2220 I N 3.350 123.944 120.570 0.039 0.000 4.070 2220 I HA 0.505 4.689 4.170 0.024 0.000 0.328 2220 I C 0.260 176.400 176.117 0.039 0.000 1.298 2220 I CA 0.380 61.703 61.300 0.038 0.000 1.173 2220 I CB 0.951 38.977 38.000 0.042 0.000 1.051 2220 I HN 0.416 nan 8.210 nan 0.000 0.409 2221 V N 1.261 121.197 119.914 0.035 0.000 3.147 2221 V HA 0.420 4.555 4.120 0.024 0.000 0.299 2221 V C -1.739 174.367 176.094 0.020 0.000 1.302 2221 V CA -0.652 61.666 62.300 0.030 0.000 1.015 2221 V CB 2.373 34.217 31.823 0.034 0.000 1.086 2221 V HN 0.357 nan 8.190 nan 0.000 0.437 2222 N N 4.346 123.054 118.700 0.014 0.000 2.424 2222 N HA 0.394 5.148 4.740 0.024 0.000 0.271 2222 N C 0.532 176.046 175.510 0.008 0.000 0.985 2222 N CA -0.564 52.488 53.050 0.003 0.000 0.921 2222 N CB 1.751 40.231 38.487 -0.011 0.000 1.149 2222 N HN 0.586 nan 8.380 nan 0.000 0.492 2223 R N 1.040 121.550 120.500 0.017 0.000 2.276 2223 R HA -0.023 4.331 4.340 0.024 0.000 0.203 2223 R C 1.396 177.713 176.300 0.028 0.000 1.017 2223 R CA 0.788 56.908 56.100 0.033 0.000 1.010 2223 R CB -0.602 29.743 30.300 0.076 0.000 0.900 2223 R HN 0.695 nan 8.270 nan 0.000 0.469 2224 T N -2.788 111.769 114.554 0.005 0.000 3.085 2224 T HA -0.021 4.344 4.350 0.024 0.000 0.263 2224 T C 1.568 176.263 174.700 -0.008 0.000 1.127 2224 T CA 0.743 62.838 62.100 -0.008 0.000 1.103 2224 T CB 0.216 69.059 68.868 -0.041 0.000 0.921 2224 T HN 0.214 nan 8.240 nan 0.000 0.510 2225 Q N 0.452 120.251 119.800 -0.002 0.000 2.462 2225 Q HA 0.260 4.614 4.340 0.024 0.000 0.224 2225 Q C 0.674 176.683 176.000 0.015 0.000 0.911 2225 Q CA 0.134 55.938 55.803 0.002 0.000 0.925 2225 Q CB 0.527 29.264 28.738 -0.002 0.000 1.063 2225 Q HN 0.789 nan 8.270 nan 0.000 0.572 2226 Q N -1.379 118.434 119.800 0.022 0.000 2.522 2226 Q HA 0.317 4.672 4.340 0.024 0.000 0.285 2226 Q C -0.449 175.571 176.000 0.034 0.000 0.982 2226 Q CA -0.559 55.263 55.803 0.032 0.000 0.805 2226 Q CB 1.048 29.806 28.738 0.034 0.000 1.457 2226 Q HN -0.085 nan 8.270 nan 0.000 0.394 2227 E N 0.346 120.574 120.200 0.046 0.000 2.060 2227 E HA 0.083 4.448 4.350 0.024 0.000 0.189 2227 E C 0.323 176.945 176.600 0.038 0.000 0.974 2227 E CA 0.699 57.121 56.400 0.036 0.000 0.808 2227 E CB 0.406 30.149 29.700 0.072 0.000 0.768 2227 E HN 0.435 nan 8.360 nan 0.000 0.453 2228 I N 2.621 123.243 120.570 0.087 0.000 2.336 2228 I HA 0.249 4.433 4.170 0.024 0.000 0.292 2228 I C -2.312 173.863 176.117 0.096 0.000 0.991 2228 I CA -2.830 58.549 61.300 0.131 0.000 1.227 2228 I CB 0.760 38.855 38.000 0.158 0.000 1.366 2228 I HN -0.204 nan 8.210 nan 0.000 0.466 2229 P HA 0.142 nan 4.420 nan 0.000 0.269 2229 P C -0.224 177.110 177.300 0.057 0.000 1.215 2229 P CA -0.282 62.863 63.100 0.074 0.000 0.780 2229 P CB 0.497 32.248 31.700 0.085 0.000 0.898 2238 E N 0.828 121.015 120.200 -0.021 0.000 2.007 2238 E HA -0.019 4.346 4.350 0.024 0.000 0.194 2238 E C 2.439 179.017 176.600 -0.037 0.000 0.999 2238 E CA 2.084 58.466 56.400 -0.031 0.000 0.811 2238 E CB -0.689 28.984 29.700 -0.045 0.000 0.762 2238 E HN 0.641 nan 8.360 nan 0.000 0.450 2239 S N -0.908 114.744 115.700 -0.080 0.000 2.388 2239 S HA 0.018 4.502 4.470 0.024 0.000 0.223 2239 S C 1.961 176.560 174.600 -0.001 0.000 1.034 2239 S CA 0.677 58.834 58.200 -0.071 0.000 0.963 2239 S CB -0.339 62.787 63.200 -0.123 0.000 0.827 2239 S HN 0.702 nan 8.310 nan 0.000 0.481 2240 H N 1.219 120.284 119.070 -0.009 0.000 2.265 2240 H HA -0.114 4.457 4.556 0.024 0.000 0.295 2240 H C 2.445 177.767 175.328 -0.009 0.000 1.084 2240 H CA 1.254 57.297 56.048 -0.008 0.000 1.261 2240 H CB -0.152 29.608 29.762 -0.004 0.000 1.360 2240 H HN 0.434 nan 8.280 nan 0.000 0.487 2241 A N 0.400 123.298 122.820 0.130 0.000 1.933 2241 A HA -0.124 4.210 4.320 0.024 0.000 0.218 2241 A C 2.598 180.204 177.584 0.037 0.000 1.175 2241 A CA 1.493 53.569 52.037 0.065 0.000 0.628 2241 A CB -0.618 18.413 19.000 0.051 0.000 0.814 2241 A HN 0.220 nan 8.150 nan 0.000 0.444 2242 V N 0.050 119.981 119.914 0.028 0.000 2.358 2242 V HA -0.247 3.887 4.120 0.024 0.000 0.246 2242 V C 2.391 178.491 176.094 0.009 0.000 1.047 2242 V CA 2.247 64.551 62.300 0.007 0.000 1.035 2242 V CB -0.683 31.133 31.823 -0.011 0.000 0.658 2242 V HN 0.533 nan 8.190 nan 0.000 0.452 2243 K N -0.096 120.318 120.400 0.023 0.000 2.063 2243 K HA -0.147 4.187 4.320 0.024 0.000 0.208 2243 K C 2.043 178.653 176.600 0.016 0.000 1.048 2243 K CA 1.687 57.987 56.287 0.023 0.000 0.928 2243 K CB -0.339 32.189 32.500 0.047 0.000 0.713 2243 K HN 0.384 nan 8.250 nan 0.000 0.442 2244 I N 0.210 120.792 120.570 0.020 0.000 2.179 2244 I HA -0.263 3.921 4.170 0.024 0.000 0.242 2244 I C 2.334 178.450 176.117 -0.003 0.000 1.088 2244 I CA 0.884 62.186 61.300 0.003 0.000 1.357 2244 I CB -0.200 37.801 38.000 0.001 0.000 1.051 2244 I HN -0.003 nan 8.210 nan 0.000 0.409 2245 V N 0.295 120.210 119.914 0.002 0.000 2.407 2245 V HA -0.204 3.930 4.120 0.024 0.000 0.248 2245 V C 2.339 178.431 176.094 -0.004 0.000 1.055 2245 V CA 1.675 63.975 62.300 -0.000 0.000 1.049 2245 V CB 0.145 31.972 31.823 0.006 0.000 0.662 2245 V HN 0.215 nan 8.190 nan 0.000 0.455 2246 V N 0.031 119.942 119.914 -0.004 0.000 2.358 2246 V HA -0.186 3.948 4.120 0.024 0.000 0.246 2246 V C 2.514 178.603 176.094 -0.008 0.000 1.047 2246 V CA 2.204 64.501 62.300 -0.006 0.000 1.035 2246 V CB -0.656 31.163 31.823 -0.006 0.000 0.658 2246 V HN 0.670 nan 8.190 nan 0.000 0.452 2247 E N 0.923 121.119 120.200 -0.008 0.000 2.110 2247 E HA -0.159 4.205 4.350 0.024 0.000 0.193 2247 E C 2.081 178.670 176.600 -0.017 0.000 0.988 2247 E CA 1.618 58.011 56.400 -0.012 0.000 0.804 2247 E CB -0.438 29.255 29.700 -0.011 0.000 0.745 2247 E HN 0.504 nan 8.360 nan 0.000 0.458 2248 A N 0.861 123.669 122.820 -0.019 0.000 1.902 2248 A HA -0.018 4.316 4.320 0.024 0.000 0.217 2248 A C 2.474 180.044 177.584 -0.024 0.000 1.181 2248 A CA 2.014 54.035 52.037 -0.026 0.000 0.623 2248 A CB -1.095 17.889 19.000 -0.027 0.000 0.818 2248 A HN 0.391 nan 8.150 nan 0.000 0.443 2249 A N -0.295 122.514 122.820 -0.019 0.000 1.917 2249 A HA -0.235 4.099 4.320 0.024 0.000 0.219 2249 A C 2.226 179.798 177.584 -0.020 0.000 1.182 2249 A CA 1.934 53.959 52.037 -0.020 0.000 0.633 2249 A CB -0.561 18.429 19.000 -0.017 0.000 0.819 2249 A HN 0.542 nan 8.150 nan 0.000 0.448 2250 R N -0.489 120.002 120.500 -0.016 0.000 2.103 2250 R HA -0.160 4.194 4.340 0.024 0.000 0.242 2250 R C 2.126 178.417 176.300 -0.016 0.000 1.142 2250 R CA 1.926 58.018 56.100 -0.014 0.000 0.960 2250 R CB -0.172 30.121 30.300 -0.011 0.000 0.858 2250 R HN 0.570 nan 8.270 nan 0.000 0.439 2251 R N -0.476 120.012 120.500 -0.019 0.000 2.299 2251 R HA 0.062 4.416 4.340 0.024 0.000 0.197 2251 R C 1.287 177.575 176.300 -0.020 0.000 0.971 2251 R CA 0.412 56.500 56.100 -0.020 0.000 1.030 2251 R CB 0.288 30.572 30.300 -0.027 0.000 0.932 2251 R HN 0.233 nan 8.270 nan 0.000 0.477 2252 L N 0.354 121.564 121.223 -0.022 0.000 2.693 2252 L HA 0.243 4.597 4.340 0.024 0.000 0.235 2252 L C 0.397 177.255 176.870 -0.021 0.000 1.127 2252 L CA -0.184 54.644 54.840 -0.021 0.000 0.914 2252 L CB 0.251 42.295 42.059 -0.025 0.000 1.193 2252 L HN 0.046 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.211 121.223 -0.019 0.000 2.949 2253 L HA 0.000 4.354 4.340 0.024 0.000 0.249 2253 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 2253 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502