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 3fqa_1_B DATA FIRST_RESID 2008 DATA SEQUENCE KTIKSDEIFA AAQKLMPGGV SSPVRAFKSV GGQPIVFDRV KDAYAWDVDG DATA SEQUENCE NRYIDYVGTW GPAICGHAHP EVIEALKVAM EKGTSFGAPC ALENVLAEMV DATA SEQUENCE NDAVPSIEMV RFVNSGTEAC MAVLRLMRAY TGRDKIIKFE GCYHGHADMF DATA SEQUENCE LVKAGSGVAT LGLPSSPGVP KKTTANTLTT PYNDLEAVKA LFAENPGEIA DATA SEQUENCE GVILEPIVGN SGFIVPDAGF LEGLREITLE HDALLVFDEV ITGFRIAYGG DATA SEQUENCE VQEKFGVTPD LTTLGKIIGG GLPVGAYGGK REIMQLVAPA GPMYQAGTLS DATA SEQUENCE GNPLAMTAGI KTLELLRQPG TYEYLDQITK RLSDGLLAIA QETGHAACGG DATA SEQUENCE QVSGMFGFFF TEGPVHNYED AKKSDLQKFS RFHRGMLEQG IYLAPSQFEA DATA SEQUENCE GFTSLAHTEE DIDATLAAAR TVMSAL 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 2008 K HA 0.000 nan 4.320 nan 0.000 0.191 2008 K C 0.000 176.628 176.600 0.047 0.000 0.988 2008 K CA 0.000 56.306 56.287 0.031 0.000 0.838 2008 K CB 0.000 32.513 32.500 0.021 0.000 1.064 2009 T N 0.386 114.971 114.554 0.051 0.000 3.442 2009 T HA 0.231 5.693 4.350 1.854 0.000 0.295 2009 T C 1.266 175.997 174.700 0.051 0.000 1.007 2009 T CA -0.572 61.564 62.100 0.060 0.000 0.962 2009 T CB -0.276 68.628 68.868 0.061 0.000 1.187 2009 T HN 0.494 nan 8.240 nan 0.000 0.490 2010 I N 2.218 122.815 120.570 0.045 0.000 2.118 2010 I HA -0.179 5.103 4.170 1.854 0.000 0.241 2010 I C 2.454 178.600 176.117 0.047 0.000 1.070 2010 I CA 1.638 62.964 61.300 0.042 0.000 1.327 2010 I CB -0.798 37.222 38.000 0.033 0.000 1.034 2010 I HN 0.430 nan 8.210 nan 0.000 0.405 2011 K N 0.284 120.713 120.400 0.048 0.000 2.147 2011 K HA -0.096 5.337 4.320 1.854 0.000 0.205 2011 K C 2.314 178.952 176.600 0.063 0.000 1.049 2011 K CA 1.375 57.693 56.287 0.051 0.000 0.936 2011 K CB -0.150 32.379 32.500 0.049 0.000 0.722 2011 K HN 0.203 nan 8.250 nan 0.000 0.446 2012 S N 1.464 117.203 115.700 0.065 0.000 2.355 2012 S HA -0.125 5.458 4.470 1.854 0.000 0.222 2012 S C 1.427 176.082 174.600 0.092 0.000 1.031 2012 S CA 1.356 59.594 58.200 0.064 0.000 0.993 2012 S CB -0.217 63.002 63.200 0.031 0.000 0.859 2012 S HN 0.265 nan 8.310 nan 0.000 0.453 2013 D N 1.028 121.478 120.400 0.083 0.000 2.149 2013 D HA -0.142 5.611 4.640 1.854 0.000 0.198 2013 D C 1.938 178.312 176.300 0.123 0.000 0.990 2013 D CA 0.986 55.057 54.000 0.119 0.000 0.839 2013 D CB -0.340 40.511 40.800 0.085 0.000 0.948 2013 D HN 0.574 nan 8.370 nan 0.000 0.460 2014 E N 0.408 120.658 120.200 0.085 0.000 2.047 2014 E HA -0.128 5.335 4.350 1.854 0.000 0.191 2014 E C 2.299 178.938 176.600 0.065 0.000 0.987 2014 E CA 0.597 57.035 56.400 0.062 0.000 0.799 2014 E CB -0.051 29.677 29.700 0.046 0.000 0.752 2014 E HN 0.220 nan 8.360 nan 0.000 0.449 2015 I N 0.311 120.932 120.570 0.085 0.000 2.315 2015 I HA -0.191 5.092 4.170 1.854 0.000 0.248 2015 I C 2.242 178.430 176.117 0.118 0.000 1.117 2015 I CA 0.608 61.959 61.300 0.085 0.000 1.404 2015 I CB -0.234 37.819 38.000 0.088 0.000 1.071 2015 I HN 0.191 nan 8.210 nan 0.000 0.419 2016 F N 1.901 121.847 119.950 -0.007 0.000 2.186 2016 F HA -0.124 5.522 4.527 1.864 0.000 0.299 2016 F C 2.427 178.224 175.800 -0.006 0.000 1.090 2016 F CA 1.048 59.039 58.000 -0.014 0.000 1.307 2016 F CB -0.397 38.584 39.000 -0.031 0.000 1.019 2016 F HN -0.015 nan 8.300 nan 0.000 0.489 2017 A N 0.450 123.239 122.820 -0.051 0.000 1.877 2017 A HA -0.073 5.359 4.320 1.854 0.000 0.216 2017 A C 2.454 179.946 177.584 -0.154 0.000 1.186 2017 A CA 1.941 53.895 52.037 -0.137 0.000 0.620 2017 A CB -1.566 17.422 19.000 -0.022 0.000 0.822 2017 A HN 0.459 nan 8.150 nan 0.000 0.443 2018 A N -0.249 122.522 122.820 -0.081 0.000 1.930 2018 A HA 0.192 5.624 4.320 1.854 0.000 0.217 2018 A C 2.485 180.013 177.584 -0.093 0.000 1.175 2018 A CA 1.966 53.964 52.037 -0.065 0.000 0.627 2018 A CB -0.987 17.999 19.000 -0.023 0.000 0.815 2018 A HN 1.096 nan 8.150 nan 0.000 0.443 2019 A N -0.446 122.305 122.820 -0.114 0.000 1.978 2019 A HA -0.232 5.200 4.320 1.854 0.000 0.220 2019 A C 2.027 179.503 177.584 -0.180 0.000 1.170 2019 A CA 1.616 53.585 52.037 -0.113 0.000 0.636 2019 A CB -0.587 18.379 19.000 -0.058 0.000 0.810 2019 A HN 0.675 nan 8.150 nan 0.000 0.448 2020 Q N -0.581 119.031 119.800 -0.314 0.000 2.364 2020 Q HA -0.105 5.348 4.340 1.854 0.000 0.207 2020 Q C 1.464 177.374 176.000 -0.151 0.000 0.970 2020 Q CA 1.240 56.873 55.803 -0.285 0.000 0.888 2020 Q CB -0.105 28.402 28.738 -0.385 0.000 0.951 2020 Q HN 0.656 nan 8.270 nan 0.000 0.469 2021 K N -0.227 120.103 120.400 -0.117 0.000 2.356 2021 K HA 0.098 5.531 4.320 1.854 0.000 0.195 2021 K C 1.524 178.093 176.600 -0.051 0.000 1.037 2021 K CA 0.299 56.543 56.287 -0.072 0.000 1.014 2021 K CB 0.531 32.996 32.500 -0.058 0.000 0.815 2021 K HN 0.148 nan 8.250 nan 0.000 0.507 2022 L N -0.280 120.911 121.223 -0.053 0.000 2.425 2022 L HA 0.254 5.706 4.340 1.854 0.000 0.215 2022 L C 0.721 177.575 176.870 -0.026 0.000 1.065 2022 L CA 0.176 54.997 54.840 -0.032 0.000 0.842 2022 L CB 0.223 42.267 42.059 -0.024 0.000 1.033 2022 L HN 0.037 nan 8.230 nan 0.000 0.474 2023 M N -0.486 119.093 119.600 -0.035 0.000 2.518 2023 M HA 0.430 6.022 4.480 1.854 0.000 0.300 2023 M C -2.613 173.670 176.300 -0.028 0.000 1.175 2023 M CA -1.896 53.391 55.300 -0.021 0.000 0.890 2023 M CB 1.947 34.543 32.600 -0.007 0.000 1.710 2023 M HN -0.387 nan 8.290 nan 0.000 0.453 2024 P HA 0.060 nan 4.420 nan 0.000 0.258 2024 P C 0.836 178.134 177.300 -0.004 0.000 1.187 2024 P CA 1.214 64.306 63.100 -0.013 0.000 0.767 2024 P CB 0.170 31.866 31.700 -0.008 0.000 0.770 2025 G N 3.598 112.391 108.800 -0.013 0.000 2.196 2025 G HA2 -0.223 4.849 3.960 1.854 0.000 0.268 2025 G HA3 -0.223 4.849 3.960 1.854 0.000 0.268 2025 G C 0.912 175.816 174.900 0.007 0.000 0.975 2025 G CA 0.509 45.619 45.100 0.017 0.000 0.648 2025 G HN 1.032 nan 8.290 nan 0.000 0.538 2026 G N -2.417 106.348 108.800 -0.057 0.000 2.160 2026 G HA2 0.146 5.218 3.960 1.854 0.000 0.251 2026 G HA3 0.146 5.218 3.960 1.854 0.000 0.251 2026 G C 0.771 175.737 174.900 0.110 0.000 1.008 2026 G CA 1.522 46.568 45.100 -0.089 0.000 0.724 2026 G HN 2.419 nan 8.290 nan 0.000 0.514 2027 V N -4.799 115.179 119.914 0.106 0.000 3.159 2027 V HA 0.896 6.128 4.120 1.854 0.000 0.308 2027 V C 0.763 176.888 176.094 0.052 0.000 1.190 2027 V CA 0.236 62.603 62.300 0.112 0.000 1.037 2027 V CB 1.499 33.407 31.823 0.142 0.000 1.060 2027 V HN 0.256 nan 8.190 nan 0.000 0.437 2028 S N 0.556 116.280 115.700 0.040 0.000 2.548 2028 S HA 0.313 5.896 4.470 1.854 0.000 0.215 2028 S C 0.625 175.220 174.600 -0.010 0.000 0.976 2028 S CA 0.835 59.044 58.200 0.017 0.000 0.908 2028 S CB 0.008 63.222 63.200 0.024 0.000 0.781 2028 S HN 1.008 nan 8.310 nan 0.000 0.519 2029 S N 0.221 115.913 115.700 -0.014 0.000 2.592 2029 S HA 0.394 5.976 4.470 1.854 0.000 0.275 2029 S C -2.411 172.155 174.600 -0.057 0.000 1.169 2029 S CA -1.301 56.859 58.200 -0.066 0.000 0.958 2029 S CB 1.285 64.420 63.200 -0.109 0.000 1.095 2029 S HN -0.178 nan 8.310 nan 0.000 0.471 2030 P HA -0.193 nan 4.420 nan 0.000 0.218 2030 P C 1.540 178.817 177.300 -0.038 0.000 1.165 2030 P CA 1.252 64.319 63.100 -0.057 0.000 0.922 2030 P CB 0.047 31.686 31.700 -0.103 0.000 0.794 2031 V N -0.160 119.685 119.914 -0.114 0.000 2.546 2031 V HA -0.286 4.947 4.120 1.854 0.000 0.254 2031 V C 2.139 178.282 176.094 0.082 0.000 1.076 2031 V CA 1.848 64.099 62.300 -0.081 0.000 1.087 2031 V CB -0.818 30.843 31.823 -0.271 0.000 0.674 2031 V HN 0.086 nan 8.190 nan 0.000 0.470 2032 R N 0.071 120.635 120.500 0.107 0.000 2.235 2032 R HA 0.063 5.515 4.340 1.854 0.000 0.213 2032 R C 2.179 178.633 176.300 0.256 0.000 1.059 2032 R CA 1.035 57.277 56.100 0.237 0.000 0.997 2032 R CB -0.438 29.947 30.300 0.142 0.000 0.884 2032 R HN 0.581 nan 8.270 nan 0.000 0.462 2033 A N 0.446 123.386 122.820 0.200 0.000 2.209 2033 A HA -0.051 5.381 4.320 1.854 0.000 0.212 2033 A C 0.249 177.974 177.584 0.235 0.000 1.158 2033 A CA 0.292 52.435 52.037 0.177 0.000 0.742 2033 A CB -0.356 18.777 19.000 0.221 0.000 0.790 2033 A HN 0.382 nan 8.150 nan 0.000 0.472 2034 F N -2.068 117.859 119.950 -0.039 0.000 3.034 2034 F HA -0.249 5.435 4.527 1.928 0.000 0.286 2034 F C 1.419 177.211 175.800 -0.013 0.000 0.804 2034 F CA 0.727 58.699 58.000 -0.048 0.000 1.161 2034 F CB -1.703 37.245 39.000 -0.087 0.000 1.317 2034 F HN 0.194 nan 8.300 nan 0.000 0.453 2035 K N -0.049 120.443 120.400 0.155 0.000 2.152 2035 K HA -0.107 5.325 4.320 1.854 0.000 0.206 2035 K C 1.913 178.563 176.600 0.082 0.000 1.048 2035 K CA 1.581 57.937 56.287 0.115 0.000 0.933 2035 K CB -0.458 32.098 32.500 0.094 0.000 0.721 2035 K HN 0.551 nan 8.250 nan 0.000 0.447 2036 S N -0.252 115.477 115.700 0.049 0.000 2.575 2036 S HA 0.038 5.621 4.470 1.854 0.000 0.215 2036 S C 1.161 175.785 174.600 0.040 0.000 0.966 2036 S CA 0.137 58.368 58.200 0.052 0.000 0.911 2036 S CB -0.031 63.205 63.200 0.060 0.000 0.780 2036 S HN 0.042 nan 8.310 nan 0.000 0.514 2037 V N -3.861 116.051 119.914 -0.004 0.000 3.070 2037 V HA 0.830 6.062 4.120 1.854 0.000 0.355 2037 V C 0.867 177.004 176.094 0.072 0.000 1.400 2037 V CA -0.087 62.197 62.300 -0.026 0.000 1.170 2037 V CB -0.338 31.290 31.823 -0.325 0.000 1.169 2037 V HN 0.522 nan 8.190 nan 0.000 0.554 2038 G N 0.050 108.916 108.800 0.109 0.000 2.796 2038 G HA2 0.255 5.328 3.960 1.854 0.000 0.198 2038 G HA3 0.255 5.328 3.960 1.854 0.000 0.198 2038 G C 1.336 176.322 174.900 0.143 0.000 1.062 2038 G CA 0.466 45.645 45.100 0.132 0.000 0.752 2038 G HN 1.963 nan 8.290 nan 0.000 0.487 2039 G N -0.356 108.556 108.800 0.187 0.000 2.141 2039 G HA2 -0.156 4.916 3.960 1.854 0.000 0.231 2039 G HA3 -0.156 4.916 3.960 1.854 0.000 0.231 2039 G C 0.076 174.999 174.900 0.038 0.000 0.984 2039 G CA 0.893 46.083 45.100 0.149 0.000 0.660 2039 G HN 1.144 nan 8.290 nan 0.000 0.525 2040 Q N 0.576 120.380 119.800 0.007 0.000 2.721 2040 Q HA 0.322 5.774 4.340 1.854 0.000 0.257 2040 Q C -2.635 173.050 176.000 -0.525 0.000 1.070 2040 Q CA -1.732 53.971 55.803 -0.167 0.000 0.910 2040 Q CB 1.711 30.441 28.738 -0.013 0.000 1.163 2040 Q HN 0.282 nan 8.270 nan 0.000 0.501 2041 P HA 0.063 nan 4.420 nan 0.000 0.272 2041 P C -0.356 176.481 177.300 -0.772 0.000 1.223 2041 P CA -0.132 62.078 63.100 -1.484 0.000 0.784 2041 P CB 0.578 31.525 31.700 -1.255 0.000 0.923 2042 I N -1.247 118.984 120.570 -0.566 0.000 2.460 2042 I HA 0.518 5.801 4.170 1.854 0.000 0.298 2042 I C -0.794 175.276 176.117 -0.078 0.000 0.989 2042 I CA -1.178 60.023 61.300 -0.164 0.000 1.173 2042 I CB 1.778 39.788 38.000 0.016 0.000 1.338 2042 I HN -0.098 nan 8.210 nan 0.000 0.456 2043 V N 6.672 126.605 119.914 0.031 0.000 2.406 2043 V HA 0.325 5.558 4.120 1.854 0.000 0.272 2043 V C 0.124 176.376 176.094 0.265 0.000 1.043 2043 V CA -0.164 62.187 62.300 0.086 0.000 0.915 2043 V CB 0.580 32.449 31.823 0.077 0.000 0.988 2043 V HN 0.559 nan 8.190 nan 0.000 0.466 2044 F N 2.671 122.593 119.950 -0.046 0.000 2.418 2044 F HA 0.138 5.775 4.527 1.851 0.000 0.341 2044 F C 1.239 177.047 175.800 0.014 0.000 1.120 2044 F CA -0.132 57.846 58.000 -0.036 0.000 1.232 2044 F CB 1.314 40.265 39.000 -0.081 0.000 1.175 2044 F HN 0.595 nan 8.300 nan 0.000 0.569 2045 D N 0.415 120.928 120.400 0.188 0.000 2.597 2045 D HA 0.101 5.853 4.640 1.854 0.000 0.261 2045 D C -0.178 176.177 176.300 0.092 0.000 1.023 2045 D CA 0.231 54.301 54.000 0.116 0.000 0.927 2045 D CB 0.568 41.416 40.800 0.079 0.000 1.168 2045 D HN 0.571 nan 8.370 nan 0.000 0.491 2046 R N -0.740 119.820 120.500 0.100 0.000 2.712 2046 R HA 0.573 6.026 4.340 1.854 0.000 0.272 2046 R C -1.649 174.734 176.300 0.138 0.000 1.032 2046 R CA -1.017 55.135 56.100 0.086 0.000 0.874 2046 R CB 1.331 31.637 30.300 0.009 0.000 1.256 2046 R HN -0.063 nan 8.270 nan 0.000 0.468 2047 V N -1.928 118.034 119.914 0.081 0.000 2.925 2047 V HA 0.830 6.063 4.120 1.854 0.000 0.311 2047 V C -0.881 175.317 176.094 0.173 0.000 1.104 2047 V CA -0.870 61.420 62.300 -0.017 0.000 0.954 2047 V CB 2.093 33.533 31.823 -0.639 0.000 1.022 2047 V HN 0.969 nan 8.190 nan 0.000 0.427 2048 K N 1.915 122.514 120.400 0.330 0.000 2.570 2048 K HA 0.397 5.830 4.320 1.854 0.000 0.256 2048 K C -0.689 176.060 176.600 0.247 0.000 0.939 2048 K CA -0.152 56.334 56.287 0.332 0.000 0.833 2048 K CB 1.891 34.616 32.500 0.375 0.000 1.318 2048 K HN 1.013 nan 8.250 nan 0.000 0.433 2049 D N 1.207 121.683 120.400 0.126 0.000 4.134 2049 D HA -0.301 5.452 4.640 1.854 0.000 0.141 2049 D C 0.446 176.603 176.300 -0.238 0.000 0.779 2049 D CA 2.337 56.303 54.000 -0.056 0.000 1.126 2049 D CB -0.978 39.780 40.800 -0.069 0.000 0.523 2049 D HN 0.646 nan 8.370 nan 0.000 0.513 2050 A N 0.170 122.581 122.820 -0.682 0.000 2.430 2050 A HA 0.384 5.817 4.320 1.854 0.000 0.243 2050 A C -0.131 176.854 177.584 -0.997 0.000 1.254 2050 A CA 0.004 51.436 52.037 -1.009 0.000 0.914 2050 A CB 0.076 18.148 19.000 -1.546 0.000 0.998 2050 A HN 0.353 nan 8.150 nan 0.000 0.515 2051 Y N -1.403 118.750 120.300 -0.245 0.000 2.587 2051 Y HA 0.719 6.380 4.550 1.852 0.000 0.337 2051 Y C 0.386 175.968 175.900 -0.530 0.000 1.065 2051 Y CA -0.901 56.901 58.100 -0.497 0.000 1.126 2051 Y CB 1.622 39.549 38.460 -0.888 0.000 1.279 2051 Y HN 0.113 nan 8.280 nan 0.000 0.489 2052 A N 1.000 123.479 122.820 -0.567 0.000 2.475 2052 A HA 0.682 6.115 4.320 1.854 0.000 0.301 2052 A C -1.933 175.243 177.584 -0.679 0.000 1.059 2052 A CA -0.649 50.991 52.037 -0.662 0.000 0.710 2052 A CB 1.261 19.631 19.000 -1.050 0.000 1.288 2052 A HN 0.735 nan 8.150 nan 0.000 0.408 2053 W N 1.328 122.401 121.300 -0.380 0.000 2.702 2053 W HA 0.296 6.072 4.660 1.859 0.000 0.331 2053 W C -0.785 175.622 176.519 -0.186 0.000 1.049 2053 W CA -0.483 56.738 57.345 -0.207 0.000 1.230 2053 W CB 1.923 31.296 29.460 -0.145 0.000 1.408 2053 W HN 0.737 nan 8.180 nan 0.000 0.492 2054 D N 0.619 121.118 120.400 0.165 0.000 2.361 2054 D HA -0.031 5.722 4.640 1.854 0.000 0.239 2054 D C 0.858 177.244 176.300 0.143 0.000 1.200 2054 D CA 0.154 54.262 54.000 0.179 0.000 0.915 2054 D CB 2.020 42.947 40.800 0.213 0.000 1.170 2054 D HN 0.134 nan 8.370 nan 0.000 0.444 2055 V N 1.265 121.256 119.914 0.129 0.000 3.461 2055 V HA -0.059 5.174 4.120 1.854 0.000 0.267 2055 V C 0.744 176.881 176.094 0.072 0.000 1.186 2055 V CA 1.263 63.618 62.300 0.093 0.000 1.154 2055 V CB -0.111 31.766 31.823 0.090 0.000 0.802 2055 V HN 0.409 nan 8.190 nan 0.000 0.474 2056 D N -0.203 120.246 120.400 0.082 0.000 2.398 2056 D HA 0.240 5.993 4.640 1.854 0.000 0.210 2056 D C 1.601 177.929 176.300 0.047 0.000 1.094 2056 D CA 0.933 54.968 54.000 0.058 0.000 0.839 2056 D CB 1.040 41.877 40.800 0.062 0.000 0.963 2056 D HN 0.558 nan 8.370 nan 0.000 0.506 2057 G N 1.616 110.457 108.800 0.068 0.000 2.175 2057 G HA2 -0.257 4.816 3.960 1.854 0.000 0.244 2057 G HA3 -0.257 4.816 3.960 1.854 0.000 0.244 2057 G C 0.099 175.036 174.900 0.063 0.000 0.982 2057 G CA -0.351 44.791 45.100 0.071 0.000 0.641 2057 G HN 0.303 nan 8.290 nan 0.000 0.527 2058 N N 0.634 119.332 118.700 -0.002 0.000 2.520 2058 N HA 0.470 6.322 4.740 1.854 0.000 0.273 2058 N C 0.313 175.602 175.510 -0.368 0.000 1.155 2058 N CA -0.238 52.682 53.050 -0.217 0.000 0.967 2058 N CB 0.638 38.943 38.487 -0.303 0.000 1.092 2058 N HN 0.259 nan 8.380 nan 0.000 0.457 2059 R N 2.536 122.705 120.500 -0.552 0.000 2.532 2059 R HA 0.360 5.813 4.340 1.854 0.000 0.295 2059 R C -1.526 174.264 176.300 -0.849 0.000 0.968 2059 R CA -0.309 55.326 56.100 -0.775 0.000 0.916 2059 R CB 0.556 30.467 30.300 -0.649 0.000 1.124 2059 R HN 0.579 nan 8.270 nan 0.000 0.463 2060 Y N 2.522 122.518 120.300 -0.508 0.000 2.545 2060 Y HA 0.468 6.133 4.550 1.859 0.000 0.348 2060 Y C 0.292 176.084 175.900 -0.180 0.000 1.002 2060 Y CA -0.925 57.017 58.100 -0.263 0.000 1.039 2060 Y CB 1.895 40.248 38.460 -0.178 0.000 1.271 2060 Y HN 0.338 nan 8.280 nan 0.000 0.467 2061 I N 2.395 123.036 120.570 0.120 0.000 2.312 2061 I HA 0.123 5.405 4.170 1.854 0.000 0.291 2061 I C -0.505 175.583 176.117 -0.049 0.000 1.031 2061 I CA -0.349 60.966 61.300 0.026 0.000 1.293 2061 I CB 0.612 38.655 38.000 0.072 0.000 1.403 2061 I HN 0.547 nan 8.210 nan 0.000 0.484 2062 D N 5.948 126.253 120.400 -0.160 0.000 2.317 2062 D HA 0.082 5.834 4.640 1.854 0.000 0.252 2062 D C -0.312 175.910 176.300 -0.130 0.000 1.174 2062 D CA 0.228 54.227 54.000 -0.001 0.000 0.866 2062 D CB 0.687 41.551 40.800 0.108 0.000 1.127 2062 D HN 0.309 nan 8.370 nan 0.000 0.467 2063 Y N 2.335 122.795 120.300 0.268 0.000 2.660 2063 Y HA 0.168 5.830 4.550 1.852 0.000 0.254 2063 Y C 1.424 177.382 175.900 0.097 0.000 1.176 2063 Y CA -0.198 58.019 58.100 0.196 0.000 1.195 2063 Y CB 0.790 39.363 38.460 0.189 0.000 1.190 2063 Y HN 0.289 nan 8.280 nan 0.000 0.535 2064 V N -1.570 118.449 119.914 0.174 0.000 3.212 2064 V HA 0.215 5.448 4.120 1.854 0.000 0.244 2064 V C 1.578 177.709 176.094 0.061 0.000 1.151 2064 V CA 0.764 63.047 62.300 -0.029 0.000 1.119 2064 V CB -0.229 31.421 31.823 -0.289 0.000 0.838 2064 V HN 0.428 nan 8.190 nan 0.000 0.470 2065 G N 1.535 110.407 108.800 0.120 0.000 2.393 2065 G HA2 -0.362 4.711 3.960 1.854 0.000 0.299 2065 G HA3 -0.362 4.711 3.960 1.854 0.000 0.299 2065 G C 0.581 175.529 174.900 0.079 0.000 0.990 2065 G CA 1.327 46.450 45.100 0.039 0.000 1.118 2065 G HN 0.839 nan 8.290 nan 0.000 0.513 2066 T N -1.726 112.932 114.554 0.172 0.000 3.935 2066 T HA -0.310 5.152 4.350 1.854 0.000 0.346 2066 T C 1.107 175.975 174.700 0.279 0.000 0.758 2066 T CA 2.287 64.511 62.100 0.207 0.000 1.874 2066 T CB -1.713 67.328 68.868 0.288 0.000 1.875 2066 T HN 2.101 nan 8.240 nan 0.000 0.802 2067 W N -2.927 118.480 121.300 0.178 0.000 3.653 2067 W HA -0.119 5.638 4.660 1.829 0.000 0.339 2067 W C 1.279 177.693 176.519 -0.175 0.000 1.296 2067 W CA 0.743 58.180 57.345 0.152 0.000 0.693 2067 W CB -1.945 27.610 29.460 0.158 0.000 2.388 2067 W HN 1.257 nan 8.180 nan 0.000 1.300 2068 G N -4.042 104.530 108.800 -0.380 0.000 2.612 2068 G HA2 -0.252 4.820 3.960 1.854 0.000 0.200 2068 G HA3 -0.252 4.820 3.960 1.854 0.000 0.200 2068 G C -0.557 174.174 174.900 -0.281 0.000 1.053 2068 G CA 0.004 44.696 45.100 -0.679 0.000 0.707 2068 G HN 0.182 nan 8.290 nan 0.000 0.497 2069 P HA 0.109 nan 4.420 nan 0.000 0.216 2069 P C 1.542 178.810 177.300 -0.052 0.000 1.153 2069 P CA 2.254 65.332 63.100 -0.037 0.000 0.858 2069 P CB -0.097 31.622 31.700 0.031 0.000 0.789 2070 A N -0.913 121.862 122.820 -0.075 0.000 2.604 2070 A HA 0.052 5.485 4.320 1.854 0.000 0.248 2070 A C 1.591 179.102 177.584 -0.122 0.000 1.466 2070 A CA -0.093 51.869 52.037 -0.126 0.000 1.222 2070 A CB -1.951 16.850 19.000 -0.331 0.000 0.945 2070 A HN 0.193 nan 8.150 nan 0.000 0.600 2071 I N -1.349 119.177 120.570 -0.072 0.000 2.454 2071 I HA -0.243 5.039 4.170 1.854 0.000 0.254 2071 I C 1.445 177.551 176.117 -0.018 0.000 1.156 2071 I CA 1.451 62.730 61.300 -0.034 0.000 1.433 2071 I CB 0.117 38.113 38.000 -0.007 0.000 1.082 2071 I HN 0.479 nan 8.210 nan 0.000 0.432 2072 C N 1.975 121.261 119.300 -0.024 0.000 2.697 2072 C HA 0.473 6.046 4.460 1.854 0.000 0.267 2072 C C 1.020 176.058 174.990 0.080 0.000 1.278 2072 C CA 0.356 59.380 59.018 0.010 0.000 1.708 2072 C CB -1.817 25.884 27.740 -0.065 0.000 1.860 2072 C HN 0.782 nan 8.230 nan 0.000 0.589 2073 G N -0.187 108.610 108.800 -0.006 0.000 2.650 2073 G HA2 -0.069 5.003 3.960 1.854 0.000 0.686 2073 G HA3 -0.069 5.003 3.960 1.854 0.000 0.686 2073 G C -0.931 173.951 174.900 -0.030 0.000 1.205 2073 G CA -0.935 44.133 45.100 -0.053 0.000 0.781 2073 G HN 0.574 nan 8.290 nan 0.000 0.648 2074 H N 0.333 119.416 119.070 0.022 0.000 2.790 2074 H HA 0.455 6.122 4.556 1.852 0.000 0.358 2074 H C 1.357 176.721 175.328 0.061 0.000 1.103 2074 H CA 1.092 57.169 56.048 0.048 0.000 1.426 2074 H CB 1.120 30.910 29.762 0.047 0.000 1.424 2074 H HN 2.097 nan 8.280 nan 0.000 0.599 2075 A N 2.064 125.014 122.820 0.216 0.000 2.511 2075 A HA -0.261 5.171 4.320 1.854 0.000 0.297 2075 A C 0.311 177.958 177.584 0.104 0.000 1.476 2075 A CA 0.630 52.747 52.037 0.134 0.000 0.757 2075 A CB -2.177 16.885 19.000 0.103 0.000 1.072 2075 A HN 0.815 nan 8.150 nan 0.000 0.413 2076 H N 0.336 119.432 119.070 0.043 0.000 3.034 2076 H HA 0.115 5.783 4.556 1.853 0.000 0.324 2076 H C -1.190 174.146 175.328 0.013 0.000 1.015 2076 H CA -0.469 55.590 56.048 0.018 0.000 1.429 2076 H CB 0.709 30.472 29.762 0.001 0.000 1.429 2076 H HN 0.210 nan 8.280 nan 0.000 0.585 2077 P HA -0.157 nan 4.420 nan 0.000 0.216 2077 P C 0.979 178.347 177.300 0.115 0.000 1.150 2077 P CA 1.588 64.671 63.100 -0.029 0.000 0.843 2077 P CB 0.294 31.918 31.700 -0.127 0.000 0.787 2078 E N -1.021 119.376 120.200 0.328 0.000 2.158 2078 E HA -0.068 5.395 4.350 1.854 0.000 0.191 2078 E C 1.908 178.581 176.600 0.121 0.000 0.982 2078 E CA 0.673 57.197 56.400 0.207 0.000 0.823 2078 E CB -0.329 29.487 29.700 0.192 0.000 0.766 2078 E HN 0.066 nan 8.360 nan 0.000 0.468 2079 V N 1.619 121.623 119.914 0.149 0.000 2.323 2079 V HA -0.224 5.008 4.120 1.854 0.000 0.244 2079 V C 2.210 178.334 176.094 0.050 0.000 1.041 2079 V CA 1.073 63.405 62.300 0.054 0.000 1.025 2079 V CB -0.282 31.570 31.823 0.048 0.000 0.656 2079 V HN 0.266 nan 8.190 nan 0.000 0.451 2080 I N 0.419 121.031 120.570 0.071 0.000 2.163 2080 I HA -0.217 5.065 4.170 1.854 0.000 0.243 2080 I C 2.612 178.746 176.117 0.029 0.000 1.085 2080 I CA 1.889 63.215 61.300 0.043 0.000 1.347 2080 I CB -1.230 36.795 38.000 0.041 0.000 1.044 2080 I HN 0.420 nan 8.210 nan 0.000 0.408 2081 E N 1.437 121.658 120.200 0.034 0.000 2.085 2081 E HA -0.182 5.280 4.350 1.854 0.000 0.194 2081 E C 2.184 178.794 176.600 0.016 0.000 0.994 2081 E CA 1.885 58.299 56.400 0.023 0.000 0.801 2081 E CB -0.250 29.466 29.700 0.027 0.000 0.743 2081 E HN 0.391 nan 8.360 nan 0.000 0.453 2082 A N 0.224 123.053 122.820 0.016 0.000 1.972 2082 A HA -0.090 5.343 4.320 1.854 0.000 0.219 2082 A C 2.322 179.903 177.584 -0.004 0.000 1.169 2082 A CA 1.303 53.342 52.037 0.004 0.000 0.635 2082 A CB -0.590 18.407 19.000 -0.004 0.000 0.810 2082 A HN 0.349 nan 8.150 nan 0.000 0.446 2083 L N -0.943 120.278 121.223 -0.003 0.000 2.072 2083 L HA -0.143 5.310 4.340 1.854 0.000 0.205 2083 L C 2.548 179.415 176.870 -0.006 0.000 1.079 2083 L CA 1.381 56.215 54.840 -0.010 0.000 0.752 2083 L CB -0.379 41.676 42.059 -0.007 0.000 0.906 2083 L HN 0.338 nan 8.230 nan 0.000 0.436 2084 K N -0.357 120.044 120.400 0.002 0.000 2.057 2084 K HA -0.145 5.288 4.320 1.854 0.000 0.207 2084 K C 2.031 178.633 176.600 0.004 0.000 1.049 2084 K CA 1.202 57.491 56.287 0.003 0.000 0.931 2084 K CB -0.195 32.307 32.500 0.005 0.000 0.714 2084 K HN 0.099 nan 8.250 nan 0.000 0.440 2085 V N 1.205 121.122 119.914 0.005 0.000 2.307 2085 V HA -0.233 5.000 4.120 1.854 0.000 0.245 2085 V C 2.325 178.425 176.094 0.011 0.000 1.045 2085 V CA 2.016 64.321 62.300 0.009 0.000 1.024 2085 V CB -0.574 31.254 31.823 0.009 0.000 0.651 2085 V HN 0.356 nan 8.190 nan 0.000 0.449 2086 A N 1.015 123.837 122.820 0.003 0.000 1.902 2086 A HA -0.241 5.191 4.320 1.854 0.000 0.217 2086 A C 2.241 179.826 177.584 0.001 0.000 1.181 2086 A CA 2.209 54.246 52.037 0.000 0.000 0.623 2086 A CB -0.556 18.430 19.000 -0.024 0.000 0.818 2086 A HN 0.682 nan 8.150 nan 0.000 0.443 2087 M N -1.688 117.908 119.600 -0.007 0.000 2.549 2087 M HA 0.010 5.602 4.480 1.854 0.000 0.260 2087 M C 1.314 177.625 176.300 0.018 0.000 1.076 2087 M CA 2.060 57.357 55.300 -0.005 0.000 1.090 2087 M CB -0.434 32.159 32.600 -0.011 0.000 1.418 2087 M HN 0.196 nan 8.290 nan 0.000 0.486 2088 E N 1.869 122.083 120.200 0.024 0.000 2.268 2088 E HA -0.054 5.409 4.350 1.854 0.000 0.195 2088 E C 1.308 177.939 176.600 0.052 0.000 0.995 2088 E CA 1.123 57.541 56.400 0.031 0.000 0.836 2088 E CB -0.002 29.713 29.700 0.025 0.000 0.763 2088 E HN 0.588 nan 8.360 nan 0.000 0.491 2089 K N -0.778 119.667 120.400 0.075 0.000 2.404 2089 K HA 0.256 5.688 4.320 1.854 0.000 0.194 2089 K C 0.060 176.787 176.600 0.213 0.000 1.023 2089 K CA 0.439 56.807 56.287 0.134 0.000 1.094 2089 K CB 0.776 33.382 32.500 0.176 0.000 0.841 2089 K HN 0.157 nan 8.250 nan 0.000 0.523 2090 G N 0.733 109.611 108.800 0.130 0.000 2.640 2090 G HA2 -0.205 4.868 3.960 1.854 0.000 0.686 2090 G HA3 -0.205 4.868 3.960 1.854 0.000 0.686 2090 G C 0.392 175.285 174.900 -0.011 0.000 1.229 2090 G CA -0.268 44.909 45.100 0.129 0.000 0.796 2090 G HN 0.054 nan 8.290 nan 0.000 0.654 2091 T N -2.494 112.034 114.554 -0.045 0.000 3.051 2091 T HA 0.563 6.025 4.350 1.854 0.000 0.255 2091 T C 1.119 175.687 174.700 -0.220 0.000 1.085 2091 T CA 1.472 63.498 62.100 -0.123 0.000 1.109 2091 T CB 0.357 69.188 68.868 -0.063 0.000 0.921 2091 T HN 1.842 nan 8.240 nan 0.000 0.488 2092 S N -0.820 114.774 115.700 -0.177 0.000 2.546 2092 S HA 0.625 6.207 4.470 1.854 0.000 0.272 2092 S C -0.875 173.743 174.600 0.029 0.000 1.140 2092 S CA -0.807 57.287 58.200 -0.177 0.000 0.920 2092 S CB 0.929 64.094 63.200 -0.058 0.000 1.083 2092 S HN 0.077 nan 8.310 nan 0.000 0.476 2093 F N 2.319 122.270 119.950 0.000 0.000 2.514 2093 F HA 0.413 6.053 4.527 1.855 0.000 0.281 2093 F C 2.226 178.031 175.800 0.008 0.000 1.060 2093 F CA 0.489 58.491 58.000 0.003 0.000 1.397 2093 F CB -0.785 38.216 39.000 0.001 0.000 1.129 2093 F HN 0.925 nan 8.300 nan 0.000 0.620 2094 G N 0.577 109.495 108.800 0.197 0.000 2.143 2094 G HA2 0.056 5.129 3.960 1.854 0.000 0.249 2094 G HA3 0.056 5.129 3.960 1.854 0.000 0.249 2094 G C 0.144 175.114 174.900 0.117 0.000 0.981 2094 G CA 0.268 45.440 45.100 0.120 0.000 0.665 2094 G HN 0.805 nan 8.290 nan 0.000 0.528 2095 A N -0.940 121.976 122.820 0.160 0.000 2.593 2095 A HA 0.919 6.351 4.320 1.854 0.000 0.290 2095 A C -2.769 174.904 177.584 0.149 0.000 1.126 2095 A CA -1.018 51.089 52.037 0.117 0.000 0.695 2095 A CB 0.922 19.964 19.000 0.070 0.000 1.290 2095 A HN 0.152 nan 8.150 nan 0.000 0.414 2096 P HA 0.423 nan 4.420 nan 0.000 0.269 2096 P C -0.456 176.931 177.300 0.144 0.000 1.209 2096 P CA -0.049 63.115 63.100 0.106 0.000 0.776 2096 P CB 0.249 31.989 31.700 0.067 0.000 0.876 2097 C N -0.311 119.084 119.300 0.158 0.000 2.994 2097 C HA 0.806 6.378 4.460 1.854 0.000 0.305 2097 C C 1.596 176.652 174.990 0.110 0.000 1.251 2097 C CA -0.136 58.995 59.018 0.189 0.000 1.478 2097 C CB 1.044 28.996 27.740 0.354 0.000 1.922 2097 C HN 0.654 nan 8.230 nan 0.000 0.472 2098 A N 1.268 124.144 122.820 0.093 0.000 1.940 2098 A HA -0.045 5.387 4.320 1.854 0.000 0.219 2098 A C 1.918 179.533 177.584 0.051 0.000 1.176 2098 A CA 1.921 53.996 52.037 0.062 0.000 0.631 2098 A CB -0.711 18.320 19.000 0.052 0.000 0.814 2098 A HN 0.969 nan 8.150 nan 0.000 0.446 2099 L N -0.895 120.354 121.223 0.043 0.000 2.191 2099 L HA -0.217 5.235 4.340 1.854 0.000 0.212 2099 L C 2.463 179.322 176.870 -0.017 0.000 1.103 2099 L CA 1.486 56.326 54.840 0.001 0.000 0.769 2099 L CB -0.614 41.425 42.059 -0.033 0.000 0.908 2099 L HN 0.499 nan 8.230 nan 0.000 0.438 2100 E N 0.100 120.305 120.200 0.009 0.000 2.106 2100 E HA -0.191 5.272 4.350 1.854 0.000 0.192 2100 E C 1.876 178.566 176.600 0.150 0.000 0.984 2100 E CA 1.124 57.556 56.400 0.053 0.000 0.806 2100 E CB -0.009 29.753 29.700 0.103 0.000 0.750 2100 E HN 0.458 nan 8.360 nan 0.000 0.458 2101 N N 0.091 118.851 118.700 0.100 0.000 2.120 2101 N HA -0.139 5.714 4.740 1.854 0.000 0.188 2101 N C 1.794 177.357 175.510 0.089 0.000 1.024 2101 N CA 0.889 53.994 53.050 0.090 0.000 0.852 2101 N CB -0.327 38.196 38.487 0.060 0.000 1.003 2101 N HN -0.034 nan 8.380 nan 0.000 0.424 2102 V N 1.194 121.148 119.914 0.066 0.000 2.237 2102 V HA -0.180 5.053 4.120 1.854 0.000 0.245 2102 V C 2.339 178.479 176.094 0.077 0.000 1.046 2102 V CA 1.306 63.640 62.300 0.056 0.000 1.007 2102 V CB -0.620 31.221 31.823 0.030 0.000 0.638 2102 V HN 0.342 nan 8.190 nan 0.000 0.445 2103 L N -0.192 121.074 121.223 0.072 0.000 2.046 2103 L HA -0.186 5.266 4.340 1.854 0.000 0.208 2103 L C 2.628 179.666 176.870 0.279 0.000 1.077 2103 L CA 1.901 56.807 54.840 0.109 0.000 0.747 2103 L CB -0.646 41.381 42.059 -0.052 0.000 0.896 2103 L HN 0.414 nan 8.230 nan 0.000 0.432 2104 A N -0.400 122.636 122.820 0.360 0.000 1.883 2104 A HA -0.304 5.128 4.320 1.854 0.000 0.217 2104 A C 2.170 179.816 177.584 0.104 0.000 1.186 2104 A CA 2.024 54.195 52.037 0.224 0.000 0.624 2104 A CB -0.597 18.484 19.000 0.135 0.000 0.822 2104 A HN 0.559 nan 8.150 nan 0.000 0.444 2105 E N -0.776 119.483 120.200 0.099 0.000 2.077 2105 E HA -0.177 5.286 4.350 1.854 0.000 0.193 2105 E C 2.075 178.730 176.600 0.092 0.000 0.989 2105 E CA 1.300 57.743 56.400 0.073 0.000 0.800 2105 E CB -0.186 29.552 29.700 0.065 0.000 0.746 2105 E HN 0.669 nan 8.360 nan 0.000 0.452 2106 M N -0.106 119.564 119.600 0.115 0.000 2.159 2106 M HA -0.162 5.431 4.480 1.854 0.000 0.263 2106 M C 2.268 178.668 176.300 0.165 0.000 1.063 2106 M CA 0.999 56.386 55.300 0.145 0.000 1.110 2106 M CB 0.039 32.718 32.600 0.132 0.000 1.374 2106 M HN 0.075 nan 8.290 nan 0.000 0.411 2107 V N 0.724 120.732 119.914 0.157 0.000 2.358 2107 V HA -0.233 5.000 4.120 1.854 0.000 0.246 2107 V C 1.989 178.136 176.094 0.089 0.000 1.047 2107 V CA 1.537 63.940 62.300 0.171 0.000 1.035 2107 V CB -0.825 31.095 31.823 0.163 0.000 0.658 2107 V HN 0.468 nan 8.190 nan 0.000 0.452 2108 N N 0.422 119.153 118.700 0.052 0.000 2.120 2108 N HA -0.160 5.693 4.740 1.854 0.000 0.188 2108 N C 1.543 177.075 175.510 0.037 0.000 1.024 2108 N CA 1.639 54.700 53.050 0.018 0.000 0.852 2108 N CB -0.382 38.107 38.487 0.004 0.000 1.003 2108 N HN 0.475 nan 8.380 nan 0.000 0.424 2109 D N 0.734 121.179 120.400 0.075 0.000 2.144 2109 D HA -0.019 5.734 4.640 1.854 0.000 0.200 2109 D C 1.776 178.148 176.300 0.121 0.000 0.978 2109 D CA 0.781 54.838 54.000 0.095 0.000 0.833 2109 D CB -0.113 40.761 40.800 0.124 0.000 0.961 2109 D HN 0.223 nan 8.370 nan 0.000 0.470 2110 A N 0.520 123.419 122.820 0.133 0.000 1.897 2110 A HA 0.007 5.440 4.320 1.854 0.000 0.215 2110 A C 1.234 178.772 177.584 -0.076 0.000 1.181 2110 A CA 0.510 52.588 52.037 0.070 0.000 0.620 2110 A CB -0.013 18.914 19.000 -0.121 0.000 0.821 2110 A HN 0.087 nan 8.150 nan 0.000 0.443 2111 V N 1.042 120.904 119.914 -0.086 0.000 2.350 2111 V HA 0.188 5.420 4.120 1.854 0.000 0.276 2111 V C -1.624 174.433 176.094 -0.062 0.000 1.028 2111 V CA -1.173 61.057 62.300 -0.117 0.000 0.860 2111 V CB 1.069 32.817 31.823 -0.125 0.000 0.990 2111 V HN 0.196 nan 8.190 nan 0.000 0.453 2112 P HA -0.243 nan 4.420 nan 0.000 0.214 2112 P C 1.854 179.121 177.300 -0.054 0.000 1.172 2112 P CA 2.200 65.275 63.100 -0.041 0.000 0.925 2112 P CB 0.066 31.744 31.700 -0.037 0.000 0.793 2113 S N -1.545 114.111 115.700 -0.074 0.000 2.507 2113 S HA -0.042 5.540 4.470 1.854 0.000 0.235 2113 S C 0.876 175.427 174.600 -0.082 0.000 0.988 2113 S CA 0.436 58.581 58.200 -0.092 0.000 0.944 2113 S CB -1.192 61.930 63.200 -0.130 0.000 0.762 2113 S HN 0.045 nan 8.310 nan 0.000 0.526 2114 I N 2.111 122.639 120.570 -0.069 0.000 2.301 2114 I HA 0.237 5.519 4.170 1.854 0.000 0.292 2114 I C 0.796 176.875 176.117 -0.064 0.000 1.046 2114 I CA -0.151 61.106 61.300 -0.071 0.000 1.282 2114 I CB 1.061 39.021 38.000 -0.065 0.000 1.409 2114 I HN 0.277 nan 8.210 nan 0.000 0.484 2115 E N 5.429 125.585 120.200 -0.073 0.000 2.447 2115 E HA 0.237 5.699 4.350 1.854 0.000 0.204 2115 E C 0.113 176.669 176.600 -0.073 0.000 0.977 2115 E CA 0.220 56.584 56.400 -0.061 0.000 0.950 2115 E CB 1.181 30.847 29.700 -0.057 0.000 0.975 2115 E HN 0.552 nan 8.360 nan 0.000 0.496 2116 M N 1.553 121.092 119.600 -0.102 0.000 2.371 2116 M HA 0.283 5.876 4.480 1.854 0.000 0.287 2116 M C -1.955 174.225 176.300 -0.200 0.000 1.149 2116 M CA -0.721 54.500 55.300 -0.131 0.000 0.929 2116 M CB 2.200 34.732 32.600 -0.114 0.000 1.683 2116 M HN -0.201 nan 8.290 nan 0.000 0.470 2117 V N 1.698 121.445 119.914 -0.278 0.000 2.864 2117 V HA 0.848 6.080 4.120 1.854 0.000 0.314 2117 V C -1.035 174.700 176.094 -0.597 0.000 1.073 2117 V CA -0.864 61.166 62.300 -0.450 0.000 0.956 2117 V CB 1.829 33.319 31.823 -0.555 0.000 1.023 2117 V HN 0.905 nan 8.190 nan 0.000 0.435 2118 R N 1.559 121.587 120.500 -0.787 0.000 2.502 2118 R HA 0.593 6.045 4.340 1.854 0.000 0.300 2118 R C -1.768 174.137 176.300 -0.658 0.000 0.984 2118 R CA -0.739 54.912 56.100 -0.749 0.000 0.882 2118 R CB 0.949 30.692 30.300 -0.928 0.000 1.180 2118 R HN 0.605 nan 8.270 nan 0.000 0.444 2119 F N 4.593 124.435 119.950 -0.180 0.000 2.384 2119 F HA 0.490 6.129 4.527 1.853 0.000 0.338 2119 F C 0.894 176.672 175.800 -0.036 0.000 1.103 2119 F CA -0.201 57.746 58.000 -0.087 0.000 1.157 2119 F CB 1.335 40.299 39.000 -0.060 0.000 1.167 2119 F HN 0.379 nan 8.300 nan 0.000 0.529 2120 V N -0.147 119.901 119.914 0.224 0.000 3.119 2120 V HA 0.498 5.730 4.120 1.854 0.000 0.309 2120 V C -0.418 175.752 176.094 0.126 0.000 1.304 2120 V CA -0.928 61.468 62.300 0.159 0.000 1.057 2120 V CB 1.845 33.775 31.823 0.178 0.000 1.150 2120 V HN 0.669 nan 8.190 nan 0.000 0.474 2121 N N 0.445 119.200 118.700 0.092 0.000 2.236 2121 N HA 0.371 6.224 4.740 1.854 0.000 0.196 2121 N C -0.012 175.541 175.510 0.072 0.000 1.114 2121 N CA 0.629 53.720 53.050 0.068 0.000 0.859 2121 N CB 0.549 39.066 38.487 0.051 0.000 0.982 2121 N HN 0.966 nan 8.380 nan 0.000 0.493 2122 S N -3.031 112.719 115.700 0.083 0.000 2.615 2122 S HA 0.449 6.031 4.470 1.854 0.000 0.268 2122 S C 0.814 175.465 174.600 0.085 0.000 1.146 2122 S CA -0.592 57.659 58.200 0.085 0.000 0.818 2122 S CB 0.754 64.004 63.200 0.084 0.000 1.111 2122 S HN -0.027 nan 8.310 nan 0.000 0.465 2123 G N 0.595 109.448 108.800 0.089 0.000 2.422 2123 G HA2 -0.007 5.065 3.960 1.854 0.000 0.218 2123 G HA3 -0.007 5.065 3.960 1.854 0.000 0.218 2123 G C 1.037 175.954 174.900 0.028 0.000 1.140 2123 G CA 1.478 46.625 45.100 0.079 0.000 0.775 2123 G HN 0.773 nan 8.290 nan 0.000 0.545 2124 T N 0.892 115.454 114.554 0.013 0.000 2.746 2124 T HA -0.065 5.397 4.350 1.854 0.000 0.267 2124 T C 2.214 176.856 174.700 -0.097 0.000 1.039 2124 T CA 1.464 63.515 62.100 -0.082 0.000 1.142 2124 T CB -0.140 68.659 68.868 -0.116 0.000 0.866 2124 T HN 0.468 nan 8.240 nan 0.000 0.444 2125 E N 1.053 121.230 120.200 -0.038 0.000 2.072 2125 E HA -0.056 5.407 4.350 1.854 0.000 0.191 2125 E C 2.597 179.167 176.600 -0.050 0.000 0.985 2125 E CA 0.968 57.347 56.400 -0.034 0.000 0.801 2125 E CB -0.212 29.502 29.700 0.024 0.000 0.750 2125 E HN 0.468 nan 8.360 nan 0.000 0.452 2126 A N 1.089 123.915 122.820 0.009 0.000 1.877 2126 A HA -0.197 5.236 4.320 1.854 0.000 0.216 2126 A C 2.472 179.967 177.584 -0.149 0.000 1.186 2126 A CA 1.304 53.349 52.037 0.014 0.000 0.620 2126 A CB -0.910 18.170 19.000 0.134 0.000 0.822 2126 A HN 0.355 nan 8.150 nan 0.000 0.443 2127 C N -1.206 118.034 119.300 -0.100 0.000 2.425 2127 C HA -0.075 5.498 4.460 1.854 0.000 0.277 2127 C C 2.771 177.627 174.990 -0.223 0.000 1.280 2127 C CA 1.341 60.277 59.018 -0.135 0.000 1.744 2127 C CB -1.211 26.498 27.740 -0.052 0.000 1.989 2127 C HN 0.752 nan 8.230 nan 0.000 0.491 2128 M N 1.189 120.667 119.600 -0.202 0.000 2.132 2128 M HA -0.096 5.496 4.480 1.854 0.000 0.263 2128 M C 2.280 178.420 176.300 -0.266 0.000 1.065 2128 M CA 2.059 57.235 55.300 -0.207 0.000 1.122 2128 M CB -0.259 32.245 32.600 -0.160 0.000 1.365 2128 M HN 0.328 nan 8.290 nan 0.000 0.411 2129 A N -0.663 121.941 122.820 -0.360 0.000 1.898 2129 A HA -0.098 5.335 4.320 1.854 0.000 0.216 2129 A C 2.066 179.299 177.584 -0.584 0.000 1.181 2129 A CA 1.585 53.305 52.037 -0.530 0.000 0.620 2129 A CB -1.099 17.352 19.000 -0.915 0.000 0.819 2129 A HN 0.393 nan 8.150 nan 0.000 0.442 2130 V N 0.056 119.623 119.914 -0.579 0.000 2.626 2130 V HA -0.189 5.044 4.120 1.854 0.000 0.252 2130 V C 2.456 178.369 176.094 -0.302 0.000 1.067 2130 V CA 1.638 63.698 62.300 -0.401 0.000 1.081 2130 V CB -0.422 31.233 31.823 -0.281 0.000 0.686 2130 V HN 0.573 nan 8.190 nan 0.000 0.468 2131 L N -0.713 120.311 121.223 -0.333 0.000 2.005 2131 L HA -0.162 5.291 4.340 1.854 0.000 0.207 2131 L C 2.666 179.398 176.870 -0.231 0.000 1.072 2131 L CA 1.950 56.587 54.840 -0.339 0.000 0.744 2131 L CB -0.595 41.202 42.059 -0.436 0.000 0.895 2131 L HN 0.230 nan 8.230 nan 0.000 0.433 2132 R N 0.097 120.474 120.500 -0.204 0.000 2.091 2132 R HA -0.229 5.223 4.340 1.854 0.000 0.238 2132 R C 2.259 178.499 176.300 -0.100 0.000 1.136 2132 R CA 1.489 57.509 56.100 -0.133 0.000 0.959 2132 R CB -0.277 29.953 30.300 -0.117 0.000 0.856 2132 R HN 0.156 nan 8.270 nan 0.000 0.437 2133 L N 0.421 121.567 121.223 -0.129 0.000 2.056 2133 L HA -0.090 5.362 4.340 1.854 0.000 0.207 2133 L C 2.056 178.910 176.870 -0.025 0.000 1.078 2133 L CA 1.727 56.526 54.840 -0.068 0.000 0.749 2133 L CB -0.323 41.678 42.059 -0.097 0.000 0.901 2133 L HN 0.294 nan 8.230 nan 0.000 0.433 2134 M N -1.207 118.351 119.600 -0.071 0.000 2.080 2134 M HA -0.263 5.329 4.480 1.854 0.000 0.260 2134 M C 2.430 178.739 176.300 0.016 0.000 1.068 2134 M CA 1.843 57.124 55.300 -0.031 0.000 1.109 2134 M CB -0.370 32.174 32.600 -0.092 0.000 1.342 2134 M HN 0.201 nan 8.290 nan 0.000 0.405 2135 R N -0.236 120.247 120.500 -0.028 0.000 2.075 2135 R HA -0.041 5.411 4.340 1.854 0.000 0.232 2135 R C 2.343 178.647 176.300 0.006 0.000 1.126 2135 R CA 1.380 57.468 56.100 -0.020 0.000 0.963 2135 R CB -0.471 29.801 30.300 -0.046 0.000 0.858 2135 R HN 0.373 nan 8.270 nan 0.000 0.435 2136 A N 0.273 123.104 122.820 0.019 0.000 1.933 2136 A HA -0.220 5.213 4.320 1.854 0.000 0.218 2136 A C 1.955 179.577 177.584 0.065 0.000 1.175 2136 A CA 1.203 53.260 52.037 0.034 0.000 0.628 2136 A CB -0.614 18.410 19.000 0.040 0.000 0.814 2136 A HN 0.462 nan 8.150 nan 0.000 0.444 2137 Y N 1.349 121.633 120.300 -0.027 0.000 2.286 2137 Y HA -0.126 5.536 4.550 1.854 0.000 0.293 2137 Y C 2.746 178.636 175.900 -0.016 0.000 1.124 2137 Y CA 2.190 60.279 58.100 -0.019 0.000 1.178 2137 Y CB -0.221 38.227 38.460 -0.021 0.000 1.010 2137 Y HN 0.418 nan 8.280 nan 0.000 0.536 2138 T N -4.090 110.463 114.554 -0.002 0.000 3.051 2138 T HA 0.252 5.714 4.350 1.854 0.000 0.255 2138 T C 1.772 176.422 174.700 -0.083 0.000 1.085 2138 T CA 0.643 62.699 62.100 -0.073 0.000 1.109 2138 T CB -0.362 68.529 68.868 0.038 0.000 0.921 2138 T HN 0.582 nan 8.240 nan 0.000 0.488 2139 G N 1.720 110.487 108.800 -0.055 0.000 2.159 2139 G HA2 -0.248 4.825 3.960 1.854 0.000 0.256 2139 G HA3 -0.248 4.825 3.960 1.854 0.000 0.256 2139 G C 0.110 174.990 174.900 -0.034 0.000 0.977 2139 G CA 0.097 45.169 45.100 -0.048 0.000 0.652 2139 G HN 0.728 nan 8.290 nan 0.000 0.531 2140 R N -0.440 120.044 120.500 -0.027 0.000 2.720 2140 R HA 0.600 6.052 4.340 1.854 0.000 0.272 2140 R C 0.071 176.350 176.300 -0.035 0.000 0.991 2140 R CA -0.660 55.423 56.100 -0.028 0.000 1.010 2140 R CB 0.920 31.207 30.300 -0.023 0.000 1.141 2140 R HN 0.013 nan 8.270 nan 0.000 0.494 2141 D N 0.651 121.026 120.400 -0.041 0.000 2.380 2141 D HA 0.031 5.784 4.640 1.854 0.000 0.212 2141 D C -0.260 176.007 176.300 -0.055 0.000 1.021 2141 D CA 0.746 54.719 54.000 -0.044 0.000 0.884 2141 D CB 0.509 41.288 40.800 -0.035 0.000 1.001 2141 D HN 0.239 nan 8.370 nan 0.000 0.506 2142 K N 0.987 121.345 120.400 -0.069 0.000 2.218 2142 K HA 0.321 5.753 4.320 1.854 0.000 0.276 2142 K C -0.083 176.455 176.600 -0.103 0.000 1.022 2142 K CA -0.204 56.032 56.287 -0.085 0.000 0.946 2142 K CB 1.787 34.217 32.500 -0.116 0.000 1.000 2142 K HN -0.120 nan 8.250 nan 0.000 0.468 2143 I N 3.468 123.992 120.570 -0.077 0.000 2.689 2143 I HA 0.387 5.669 4.170 1.854 0.000 0.299 2143 I C -0.133 175.955 176.117 -0.050 0.000 1.059 2143 I CA -0.803 60.454 61.300 -0.072 0.000 1.055 2143 I CB 1.843 39.800 38.000 -0.072 0.000 1.243 2143 I HN 0.527 nan 8.210 nan 0.000 0.425 2144 I N 5.020 125.537 120.570 -0.087 0.000 2.378 2144 I HA 0.338 5.621 4.170 1.854 0.000 0.291 2144 I C -0.204 175.833 176.117 -0.134 0.000 0.992 2144 I CA -0.607 60.602 61.300 -0.152 0.000 1.154 2144 I CB 1.586 39.444 38.000 -0.236 0.000 1.315 2144 I HN 0.575 nan 8.210 nan 0.000 0.448 2145 K N 4.985 125.286 120.400 -0.165 0.000 2.444 2145 K HA 0.697 6.130 4.320 1.854 0.000 0.252 2145 K C -1.506 174.905 176.600 -0.316 0.000 0.993 2145 K CA -0.741 55.491 56.287 -0.091 0.000 0.847 2145 K CB 1.780 34.346 32.500 0.111 0.000 1.340 2145 K HN 0.170 nan 8.250 nan 0.000 0.446 2146 F N 0.946 121.035 119.950 0.231 0.000 2.458 2146 F HA 0.306 5.945 4.527 1.853 0.000 0.330 2146 F C 0.241 176.099 175.800 0.096 0.000 1.082 2146 F CA -0.755 57.368 58.000 0.206 0.000 0.995 2146 F CB 1.606 40.823 39.000 0.362 0.000 1.170 2146 F HN 0.485 nan 8.300 nan 0.000 0.478 2147 E N 0.751 121.101 120.200 0.250 0.000 2.376 2147 E HA 0.343 5.806 4.350 1.854 0.000 0.266 2147 E C 0.808 177.388 176.600 -0.033 0.000 1.009 2147 E CA 0.852 57.304 56.400 0.088 0.000 0.902 2147 E CB 0.465 30.264 29.700 0.165 0.000 0.972 2147 E HN 0.919 nan 8.360 nan 0.000 0.439 2148 G N 2.337 110.918 108.800 -0.366 0.000 2.194 2148 G HA2 -0.272 4.800 3.960 1.854 0.000 0.236 2148 G HA3 -0.272 4.800 3.960 1.854 0.000 0.236 2148 G C 0.280 174.986 174.900 -0.324 0.000 0.987 2148 G CA -0.178 44.539 45.100 -0.638 0.000 0.635 2148 G HN 0.593 nan 8.290 nan 0.000 0.520 2149 C N 0.020 119.224 119.300 -0.161 0.000 2.398 2149 C HA 0.754 6.327 4.460 1.854 0.000 0.364 2149 C C -0.035 174.819 174.990 -0.226 0.000 1.219 2149 C CA -0.612 58.315 59.018 -0.151 0.000 2.312 2149 C CB 0.831 28.590 27.740 0.031 0.000 2.428 2149 C HN 0.422 nan 8.230 nan 0.000 0.564 2150 Y N 1.732 121.736 120.300 -0.493 0.000 2.361 2150 Y HA 0.444 6.112 4.550 1.863 0.000 0.337 2150 Y C 0.287 175.876 175.900 -0.518 0.000 0.965 2150 Y CA -0.482 57.376 58.100 -0.405 0.000 1.091 2150 Y CB 0.592 38.930 38.460 -0.203 0.000 1.182 2150 Y HN 0.776 nan 8.280 nan 0.000 0.450 2151 H N 4.333 123.163 119.070 -0.400 0.000 2.651 2151 H HA 0.431 6.101 4.556 1.858 0.000 0.241 2151 H C 0.589 175.654 175.328 -0.439 0.000 1.225 2151 H CA 0.051 55.952 56.048 -0.244 0.000 0.942 2151 H CB 0.454 30.323 29.762 0.178 0.000 1.996 2151 H HN 0.928 nan 8.280 nan 0.000 0.600 2152 G N 1.945 110.095 108.800 -1.085 0.000 2.758 2152 G HA2 -0.234 4.838 3.960 1.854 0.000 0.686 2152 G HA3 -0.234 4.838 3.960 1.854 0.000 0.686 2152 G C -0.069 174.678 174.900 -0.256 0.000 1.389 2152 G CA -0.688 44.049 45.100 -0.605 0.000 0.845 2152 G HN 0.648 nan 8.290 nan 0.000 0.572 2153 H N -0.398 118.665 119.070 -0.012 0.000 2.966 2153 H HA 0.552 6.221 4.556 1.855 0.000 0.217 2153 H C 0.799 176.168 175.328 0.067 0.000 1.906 2153 H CA 0.093 56.194 56.048 0.089 0.000 1.351 2153 H CB -0.942 28.895 29.762 0.124 0.000 1.722 2153 H HN 1.249 nan 8.280 nan 0.000 0.562 2154 A N 2.147 124.986 122.820 0.031 0.000 2.396 2154 A HA 0.085 5.518 4.320 1.854 0.000 0.279 2154 A C 0.426 178.074 177.584 0.108 0.000 1.165 2154 A CA -0.450 51.617 52.037 0.049 0.000 0.824 2154 A CB 0.073 19.155 19.000 0.138 0.000 1.100 2154 A HN 0.491 nan 8.150 nan 0.000 0.516 2155 D N 2.361 122.801 120.400 0.067 0.000 2.605 2155 D HA -0.228 5.524 4.640 1.854 0.000 0.219 2155 D C 1.569 177.920 176.300 0.084 0.000 1.132 2155 D CA 2.402 56.444 54.000 0.070 0.000 0.968 2155 D CB -0.270 40.558 40.800 0.046 0.000 1.330 2155 D HN 0.677 nan 8.370 nan 0.000 0.512 2156 M N -0.198 119.451 119.600 0.081 0.000 3.709 2156 M HA 0.294 5.886 4.480 1.854 0.000 0.197 2156 M C -0.474 175.946 176.300 0.200 0.000 1.511 2156 M CA 0.558 55.914 55.300 0.093 0.000 1.688 2156 M CB -0.354 32.279 32.600 0.054 0.000 1.109 2156 M HN 0.357 nan 8.290 nan 0.000 0.561 2157 F N 0.335 120.276 119.950 -0.015 0.000 2.405 2157 F HA 0.207 5.848 4.527 1.856 0.000 0.432 2157 F C -0.617 175.190 175.800 0.011 0.000 0.846 2157 F CA -0.484 57.507 58.000 -0.015 0.000 0.820 2157 F CB 0.074 39.055 39.000 -0.032 0.000 1.191 2157 F HN 0.185 nan 8.300 nan 0.000 0.569 2158 L N 4.064 125.266 121.223 -0.034 0.000 2.617 2158 L HA 0.450 5.902 4.340 1.854 0.000 0.282 2158 L C -0.659 176.144 176.870 -0.112 0.000 1.174 2158 L CA 0.559 55.346 54.840 -0.089 0.000 1.016 2158 L CB -0.230 41.865 42.059 0.060 0.000 1.337 2158 L HN 0.072 nan 8.230 nan 0.000 0.460 2159 V N 6.084 125.874 119.914 -0.208 0.000 2.777 2159 V HA 0.374 5.606 4.120 1.854 0.000 0.306 2159 V C -0.004 175.999 176.094 -0.151 0.000 1.112 2159 V CA -0.754 61.459 62.300 -0.144 0.000 0.917 2159 V CB 1.848 33.591 31.823 -0.133 0.000 1.018 2159 V HN 0.757 nan 8.190 nan 0.000 0.426 2160 K N 2.820 123.157 120.400 -0.105 0.000 3.077 2160 K HA -0.167 5.265 4.320 1.854 0.000 0.264 2160 K C 0.146 176.638 176.600 -0.179 0.000 1.008 2160 K CA 1.229 57.448 56.287 -0.114 0.000 0.740 2160 K CB -1.723 30.732 32.500 -0.075 0.000 1.273 2160 K HN 1.353 nan 8.250 nan 0.000 0.477 2161 A N -0.433 122.295 122.820 -0.152 0.000 2.287 2161 A HA 0.731 6.163 4.320 1.854 0.000 0.273 2161 A C 1.379 178.814 177.584 -0.248 0.000 1.091 2161 A CA 0.126 52.089 52.037 -0.124 0.000 0.817 2161 A CB 0.516 19.567 19.000 0.084 0.000 1.069 2161 A HN 0.401 nan 8.150 nan 0.000 0.492 2162 G N -0.418 108.235 108.800 -0.245 0.000 3.286 2162 G HA2 0.488 5.560 3.960 1.854 0.000 0.173 2162 G HA3 0.488 5.560 3.960 1.854 0.000 0.173 2162 G C 0.791 175.482 174.900 -0.348 0.000 1.704 2162 G CA 1.276 46.165 45.100 -0.351 0.000 1.041 2162 G HN 2.364 nan 8.290 nan 0.000 0.561 2163 S N -1.498 114.027 115.700 -0.292 0.000 3.416 2163 S HA -0.237 5.346 4.470 1.854 0.000 0.627 2163 S C 1.971 176.382 174.600 -0.316 0.000 2.746 2163 S CA 1.683 59.666 58.200 -0.362 0.000 3.896 2163 S CB -1.555 61.180 63.200 -0.774 0.000 0.264 2163 S HN 2.006 nan 8.310 nan 0.000 1.229 2164 G N 0.636 109.199 108.800 -0.394 0.000 2.479 2164 G HA2 0.065 5.138 3.960 1.854 0.000 0.220 2164 G HA3 0.065 5.138 3.960 1.854 0.000 0.220 2164 G C 1.413 176.185 174.900 -0.212 0.000 1.115 2164 G CA 1.334 46.274 45.100 -0.266 0.000 0.757 2164 G HN 1.120 nan 8.290 nan 0.000 0.560 2165 V N 1.396 121.147 119.914 -0.272 0.000 2.237 2165 V HA -0.133 5.100 4.120 1.854 0.000 0.245 2165 V C 3.207 179.195 176.094 -0.177 0.000 1.046 2165 V CA 2.061 64.241 62.300 -0.200 0.000 1.007 2165 V CB -0.996 30.704 31.823 -0.205 0.000 0.638 2165 V HN 0.424 nan 8.190 nan 0.000 0.445 2166 A N -0.557 122.117 122.820 -0.244 0.000 2.168 2166 A HA -0.101 5.331 4.320 1.854 0.000 0.215 2166 A C 2.262 179.701 177.584 -0.242 0.000 1.152 2166 A CA 1.614 53.463 52.037 -0.314 0.000 0.716 2166 A CB -0.805 17.882 19.000 -0.522 0.000 0.794 2166 A HN 0.517 nan 8.150 nan 0.000 0.465 2167 T N 0.651 115.172 114.554 -0.056 0.000 2.759 2167 T HA -0.128 5.335 4.350 1.854 0.000 0.269 2167 T C 1.384 176.147 174.700 0.106 0.000 1.042 2167 T CA 1.692 63.858 62.100 0.110 0.000 1.140 2167 T CB -0.369 68.510 68.868 0.018 0.000 0.864 2167 T HN 0.693 nan 8.240 nan 0.000 0.455 2168 L N -2.231 119.007 121.223 0.024 0.000 3.014 2168 L HA 0.694 6.147 4.340 1.854 0.000 0.263 2168 L C 1.134 178.011 176.870 0.012 0.000 1.207 2168 L CA -0.080 54.781 54.840 0.036 0.000 1.017 2168 L CB -0.191 41.882 42.059 0.023 0.000 1.360 2168 L HN 0.276 nan 8.230 nan 0.000 0.560 2169 G N 0.968 109.753 108.800 -0.025 0.000 2.155 2169 G HA2 -0.264 4.809 3.960 1.854 0.000 0.257 2169 G HA3 -0.264 4.809 3.960 1.854 0.000 0.257 2169 G C 0.094 174.974 174.900 -0.033 0.000 0.983 2169 G CA 0.379 45.457 45.100 -0.037 0.000 0.676 2169 G HN 0.360 nan 8.290 nan 0.000 0.528 2170 L N 1.497 122.693 121.223 -0.045 0.000 2.453 2170 L HA 0.281 5.734 4.340 1.854 0.000 0.272 2170 L C 0.170 177.009 176.870 -0.051 0.000 1.182 2170 L CA -0.651 54.164 54.840 -0.042 0.000 0.858 2170 L CB 0.777 42.806 42.059 -0.050 0.000 1.120 2170 L HN 0.078 nan 8.230 nan 0.000 0.474 2171 P HA -0.013 nan 4.420 nan 0.000 0.206 2171 P C -0.255 177.016 177.300 -0.049 0.000 1.212 2171 P CA 0.850 63.929 63.100 -0.035 0.000 0.919 2171 P CB 0.435 32.123 31.700 -0.021 0.000 0.755 2172 S N -4.023 111.657 115.700 -0.034 0.000 2.655 2172 S HA 0.382 5.965 4.470 1.854 0.000 0.263 2172 S C -0.275 174.320 174.600 -0.009 0.000 1.091 2172 S CA -0.082 58.103 58.200 -0.025 0.000 0.865 2172 S CB 0.336 63.514 63.200 -0.036 0.000 1.146 2172 S HN 0.271 nan 8.310 nan 0.000 0.482 2173 S N 0.989 116.694 115.700 0.007 0.000 3.118 2173 S HA -0.123 5.460 4.470 1.854 0.000 0.631 2173 S C -1.985 172.621 174.600 0.010 0.000 2.944 2173 S CA 0.947 59.156 58.200 0.016 0.000 3.398 2173 S CB -2.562 60.644 63.200 0.008 0.000 0.312 2173 S HN 0.983 nan 8.310 nan 0.000 1.625 2174 P HA 0.468 nan 4.420 nan 0.000 0.342 2174 P C 1.375 178.686 177.300 0.018 0.000 1.397 2174 P CA 0.628 63.734 63.100 0.010 0.000 0.838 2174 P CB -0.527 31.177 31.700 0.007 0.000 2.030 2175 G N -1.752 107.058 108.800 0.016 0.000 4.039 2175 G HA2 -0.264 4.809 3.960 1.854 0.000 0.220 2175 G HA3 -0.264 4.809 3.960 1.854 0.000 0.220 2175 G C 0.240 175.153 174.900 0.021 0.000 1.391 2175 G CA 0.274 45.386 45.100 0.020 0.000 0.920 2175 G HN 0.814 nan 8.290 nan 0.000 0.599 2176 V N 1.125 121.054 119.914 0.025 0.000 2.540 2176 V HA 0.542 5.774 4.120 1.854 0.000 0.297 2176 V C -1.232 174.872 176.094 0.016 0.000 1.024 2176 V CA -1.200 61.114 62.300 0.024 0.000 1.105 2176 V CB 0.317 32.159 31.823 0.031 0.000 0.938 2176 V HN 0.409 nan 8.190 nan 0.000 0.482 2177 P HA 0.223 nan 4.420 nan 0.000 0.269 2177 P C 0.212 177.517 177.300 0.008 0.000 1.217 2177 P CA -0.298 62.808 63.100 0.009 0.000 0.783 2177 P CB 0.493 32.198 31.700 0.009 0.000 0.898 2178 K N 0.946 121.348 120.400 0.004 0.000 2.283 2178 K HA -0.077 5.355 4.320 1.854 0.000 0.202 2178 K C 1.499 178.099 176.600 0.001 0.000 1.048 2178 K CA 1.437 57.725 56.287 0.001 0.000 0.948 2178 K CB -0.203 32.296 32.500 -0.001 0.000 0.742 2178 K HN 0.363 nan 8.250 nan 0.000 0.458 2179 K N -0.236 120.165 120.400 0.002 0.000 2.103 2179 K HA -0.068 5.365 4.320 1.854 0.000 0.204 2179 K C 2.079 178.681 176.600 0.003 0.000 1.052 2179 K CA 1.694 57.981 56.287 0.000 0.000 0.945 2179 K CB -0.225 32.275 32.500 0.000 0.000 0.722 2179 K HN 0.350 nan 8.250 nan 0.000 0.443 2180 T N -0.777 113.782 114.554 0.008 0.000 2.867 2180 T HA -0.115 5.347 4.350 1.854 0.000 0.268 2180 T C 2.001 176.714 174.700 0.021 0.000 1.057 2180 T CA 1.582 63.690 62.100 0.013 0.000 1.136 2180 T CB -0.631 68.248 68.868 0.018 0.000 0.874 2180 T HN 0.258 nan 8.240 nan 0.000 0.466 2181 T N -1.083 113.482 114.554 0.019 0.000 3.169 2181 T HA 0.569 6.031 4.350 1.854 0.000 0.250 2181 T C 1.840 176.546 174.700 0.010 0.000 1.111 2181 T CA 0.262 62.375 62.100 0.021 0.000 1.010 2181 T CB -0.257 68.616 68.868 0.008 0.000 0.984 2181 T HN 0.463 nan 8.240 nan 0.000 0.537 2182 A N 1.865 124.687 122.820 0.003 0.000 2.208 2182 A HA 0.173 5.606 4.320 1.854 0.000 0.209 2182 A C 1.871 179.449 177.584 -0.010 0.000 1.161 2182 A CA 0.116 52.149 52.037 -0.007 0.000 0.782 2182 A CB -0.291 18.703 19.000 -0.010 0.000 0.816 2182 A HN 0.474 nan 8.150 nan 0.000 0.477 2183 N N 0.411 119.112 118.700 0.002 0.000 2.276 2183 N HA 0.050 5.903 4.740 1.854 0.000 0.212 2183 N C -0.775 174.745 175.510 0.016 0.000 1.127 2183 N CA 0.383 53.430 53.050 -0.005 0.000 0.834 2183 N CB 0.592 39.076 38.487 -0.006 0.000 1.014 2183 N HN 0.177 nan 8.380 nan 0.000 0.491 2184 T N 1.732 116.303 114.554 0.028 0.000 2.847 2184 T HA 0.379 5.841 4.350 1.854 0.000 0.291 2184 T C -0.433 174.259 174.700 -0.014 0.000 0.998 2184 T CA -0.538 61.599 62.100 0.061 0.000 0.967 2184 T CB 1.752 70.688 68.868 0.113 0.000 0.954 2184 T HN -0.167 nan 8.240 nan 0.000 0.441 2185 L N 4.008 125.205 121.223 -0.045 0.000 2.322 2185 L HA 0.698 6.151 4.340 1.854 0.000 0.279 2185 L C 0.880 177.685 176.870 -0.108 0.000 1.036 2185 L CA -0.568 54.220 54.840 -0.086 0.000 0.807 2185 L CB 1.232 43.214 42.059 -0.129 0.000 1.226 2185 L HN 0.806 nan 8.230 nan 0.000 0.433 2186 T N -1.455 113.042 114.554 -0.095 0.000 2.863 2186 T HA 0.728 6.190 4.350 1.854 0.000 0.285 2186 T C -0.209 174.453 174.700 -0.062 0.000 1.009 2186 T CA -0.678 61.363 62.100 -0.098 0.000 0.989 2186 T CB 2.428 71.262 68.868 -0.057 0.000 1.004 2186 T HN 0.643 nan 8.240 nan 0.000 0.455 2187 T N 1.516 116.039 114.554 -0.051 0.000 2.868 2187 T HA 0.646 6.109 4.350 1.854 0.000 0.306 2187 T C -3.141 171.730 174.700 0.286 0.000 1.224 2187 T CA -1.779 60.370 62.100 0.082 0.000 1.012 2187 T CB 1.596 70.510 68.868 0.078 0.000 1.221 2187 T HN 0.440 nan 8.240 nan 0.000 0.499 2188 P HA 0.212 nan 4.420 nan 0.000 0.271 2188 P C -1.148 176.390 177.300 0.397 0.000 1.216 2188 P CA -0.244 63.035 63.100 0.299 0.000 0.771 2188 P CB 0.020 31.816 31.700 0.161 0.000 0.864 2189 Y N 3.533 123.934 120.300 0.168 0.000 2.683 2189 Y HA -0.108 5.557 4.550 1.859 0.000 0.340 2189 Y C 1.336 176.954 175.900 -0.469 0.000 1.245 2189 Y CA 1.175 59.144 58.100 -0.219 0.000 1.485 2189 Y CB -0.365 37.967 38.460 -0.214 0.000 1.328 2189 Y HN 0.606 nan 8.280 nan 0.000 0.603 2190 N N 1.458 119.087 118.700 -1.785 0.000 2.800 2190 N HA -0.267 5.586 4.740 1.854 0.000 0.250 2190 N C -1.484 173.629 175.510 -0.662 0.000 1.078 2190 N CA 0.862 52.870 53.050 -1.735 0.000 0.804 2190 N CB -0.687 37.344 38.487 -0.760 0.000 1.135 2190 N HN 0.534 nan 8.380 nan 0.000 0.565 2191 D N 0.818 121.090 120.400 -0.213 0.000 2.462 2191 D HA 0.235 5.988 4.640 1.854 0.000 0.249 2191 D C 0.949 177.425 176.300 0.294 0.000 1.117 2191 D CA -0.376 53.671 54.000 0.079 0.000 0.900 2191 D CB 0.494 41.356 40.800 0.103 0.000 1.039 2191 D HN 0.157 nan 8.370 nan 0.000 0.516 2192 L N 2.049 123.450 121.223 0.296 0.000 2.017 2192 L HA -0.143 5.310 4.340 1.854 0.000 0.208 2192 L C 2.116 179.090 176.870 0.173 0.000 1.073 2192 L CA 0.884 55.881 54.840 0.261 0.000 0.745 2192 L CB 0.023 42.191 42.059 0.181 0.000 0.894 2192 L HN 0.338 nan 8.230 nan 0.000 0.432 2193 E N 0.168 120.443 120.200 0.124 0.000 2.097 2193 E HA -0.253 5.210 4.350 1.854 0.000 0.196 2193 E C 2.221 178.884 176.600 0.105 0.000 1.000 2193 E CA 1.501 57.956 56.400 0.092 0.000 0.804 2193 E CB -0.331 29.407 29.700 0.062 0.000 0.740 2193 E HN 0.494 nan 8.360 nan 0.000 0.454 2194 A N 0.951 123.844 122.820 0.122 0.000 1.933 2194 A HA -0.138 5.295 4.320 1.854 0.000 0.218 2194 A C 2.624 180.289 177.584 0.134 0.000 1.175 2194 A CA 1.516 53.623 52.037 0.116 0.000 0.628 2194 A CB -0.556 18.522 19.000 0.130 0.000 0.814 2194 A HN 0.148 nan 8.150 nan 0.000 0.444 2195 V N 0.065 120.096 119.914 0.194 0.000 2.358 2195 V HA -0.251 4.982 4.120 1.854 0.000 0.246 2195 V C 2.383 178.634 176.094 0.262 0.000 1.047 2195 V CA 2.253 64.689 62.300 0.228 0.000 1.035 2195 V CB -0.701 31.299 31.823 0.295 0.000 0.658 2195 V HN 0.546 nan 8.190 nan 0.000 0.452 2196 K N 0.690 121.199 120.400 0.181 0.000 2.063 2196 K HA -0.139 5.293 4.320 1.854 0.000 0.208 2196 K C 2.331 179.018 176.600 0.145 0.000 1.048 2196 K CA 1.527 57.898 56.287 0.141 0.000 0.928 2196 K CB -0.482 32.066 32.500 0.081 0.000 0.713 2196 K HN 0.463 nan 8.250 nan 0.000 0.442 2197 A N 1.545 124.430 122.820 0.108 0.000 1.908 2197 A HA -0.146 5.286 4.320 1.854 0.000 0.218 2197 A C 2.131 179.749 177.584 0.056 0.000 1.181 2197 A CA 1.298 53.378 52.037 0.073 0.000 0.627 2197 A CB -0.671 18.361 19.000 0.054 0.000 0.818 2197 A HN 0.171 nan 8.150 nan 0.000 0.445 2198 L N -2.241 119.013 121.223 0.050 0.000 2.083 2198 L HA -0.172 5.281 4.340 1.854 0.000 0.209 2198 L C 2.458 179.262 176.870 -0.109 0.000 1.083 2198 L CA 1.221 56.033 54.840 -0.047 0.000 0.752 2198 L CB -0.477 41.519 42.059 -0.106 0.000 0.899 2198 L HN 0.400 nan 8.230 nan 0.000 0.433 2199 F N -0.271 119.602 119.950 -0.129 0.000 2.098 2199 F HA -0.114 5.525 4.527 1.854 0.000 0.294 2199 F C 2.630 178.336 175.800 -0.157 0.000 1.107 2199 F CA 1.169 59.031 58.000 -0.230 0.000 1.234 2199 F CB -0.697 38.008 39.000 -0.493 0.000 1.002 2199 F HN -0.035 nan 8.300 nan 0.000 0.472 2200 A N -0.469 122.417 122.820 0.110 0.000 1.948 2200 A HA -0.281 5.152 4.320 1.854 0.000 0.220 2200 A C 2.071 179.681 177.584 0.045 0.000 1.177 2200 A CA 2.132 54.218 52.037 0.082 0.000 0.636 2200 A CB -0.863 18.183 19.000 0.076 0.000 0.815 2200 A HN 0.490 nan 8.150 nan 0.000 0.449 2201 E N -0.616 119.595 120.200 0.019 0.000 2.435 2201 E HA -0.024 5.439 4.350 1.854 0.000 0.195 2201 E C -0.200 176.385 176.600 -0.024 0.000 1.029 2201 E CA 0.235 56.633 56.400 -0.003 0.000 0.865 2201 E CB 0.062 29.755 29.700 -0.011 0.000 0.833 2201 E HN 0.578 nan 8.360 nan 0.000 0.510 2202 N N 2.020 120.693 118.700 -0.045 0.000 2.679 2202 N HA 0.165 6.018 4.740 1.854 0.000 0.302 2202 N C -2.741 172.743 175.510 -0.044 0.000 1.941 2202 N CA -0.991 52.018 53.050 -0.068 0.000 0.875 2202 N CB 1.490 39.895 38.487 -0.137 0.000 1.278 2202 N HN 0.148 nan 8.380 nan 0.000 0.490 2203 P HA -0.012 nan 4.420 nan 0.000 0.261 2203 P C 0.876 178.202 177.300 0.044 0.000 1.183 2203 P CA 0.967 64.102 63.100 0.059 0.000 0.761 2203 P CB 0.504 32.244 31.700 0.066 0.000 0.785 2204 G N 3.221 112.068 108.800 0.078 0.000 2.249 2204 G HA2 -0.264 4.809 3.960 1.854 0.000 0.273 2204 G HA3 -0.264 4.809 3.960 1.854 0.000 0.273 2204 G C 0.433 175.341 174.900 0.012 0.000 1.036 2204 G CA 0.380 45.513 45.100 0.056 0.000 0.824 2204 G HN 0.656 nan 8.290 nan 0.000 0.504 2205 E N -1.235 118.952 120.200 -0.021 0.000 2.639 2205 E HA 0.179 5.642 4.350 1.854 0.000 0.225 2205 E C 0.432 176.975 176.600 -0.094 0.000 0.921 2205 E CA -0.544 55.824 56.400 -0.054 0.000 1.184 2205 E CB 0.812 30.473 29.700 -0.065 0.000 1.160 2205 E HN 0.418 nan 8.360 nan 0.000 0.547 2206 I N 1.846 122.335 120.570 -0.136 0.000 2.301 2206 I HA 0.178 5.460 4.170 1.854 0.000 0.292 2206 I C 1.296 177.376 176.117 -0.062 0.000 1.046 2206 I CA -0.056 61.117 61.300 -0.212 0.000 1.282 2206 I CB 0.625 38.269 38.000 -0.594 0.000 1.409 2206 I HN -0.013 nan 8.210 nan 0.000 0.484 2207 A N 5.223 128.010 122.820 -0.054 0.000 1.930 2207 A HA 0.388 5.821 4.320 1.854 0.000 0.217 2207 A C 1.141 178.747 177.584 0.036 0.000 1.175 2207 A CA 1.296 53.333 52.037 -0.001 0.000 0.627 2207 A CB -0.179 18.805 19.000 -0.027 0.000 0.815 2207 A HN 0.918 nan 8.150 nan 0.000 0.443 2208 G N -3.266 105.537 108.800 0.006 0.000 2.317 2208 G HA2 0.427 5.499 3.960 1.854 0.000 0.293 2208 G HA3 0.427 5.499 3.960 1.854 0.000 0.293 2208 G C -1.642 173.276 174.900 0.030 0.000 1.287 2208 G CA -0.038 45.099 45.100 0.063 0.000 0.850 2208 G HN 0.576 nan 8.290 nan 0.000 0.515 2209 V N 0.702 120.668 119.914 0.087 0.000 2.604 2209 V HA 0.735 5.968 4.120 1.854 0.000 0.305 2209 V C -0.226 175.939 176.094 0.119 0.000 1.043 2209 V CA -0.703 61.655 62.300 0.096 0.000 0.888 2209 V CB 1.625 33.564 31.823 0.194 0.000 0.995 2209 V HN 0.815 nan 8.190 nan 0.000 0.429 2210 I N 6.454 127.085 120.570 0.102 0.000 2.509 2210 I HA 0.796 6.079 4.170 1.854 0.000 0.293 2210 I C -1.153 175.114 176.117 0.251 0.000 1.020 2210 I CA -0.640 60.706 61.300 0.076 0.000 1.088 2210 I CB 1.569 39.455 38.000 -0.190 0.000 1.267 2210 I HN 0.776 nan 8.210 nan 0.000 0.430 2211 L N 3.338 124.779 121.223 0.363 0.000 2.720 2211 L HA 0.600 6.052 4.340 1.854 0.000 0.261 2211 L C -1.602 175.523 176.870 0.426 0.000 1.046 2211 L CA -0.964 54.225 54.840 0.582 0.000 0.886 2211 L CB 1.989 44.441 42.059 0.655 0.000 1.493 2211 L HN 0.476 nan 8.230 nan 0.000 0.407 2212 E N 1.580 122.006 120.200 0.377 0.000 2.105 2212 E HA 0.237 5.699 4.350 1.854 0.000 0.285 2212 E C -1.952 174.678 176.600 0.050 0.000 1.055 2212 E CA -1.630 54.867 56.400 0.162 0.000 0.843 2212 E CB 1.428 31.171 29.700 0.071 0.000 1.067 2212 E HN 0.467 nan 8.360 nan 0.000 0.398 2213 P HA -0.164 nan 4.420 nan 0.000 0.217 2213 P C -0.122 177.146 177.300 -0.053 0.000 1.151 2213 P CA 1.389 64.264 63.100 -0.375 0.000 0.849 2213 P CB 0.332 31.645 31.700 -0.645 0.000 0.787 2214 I N -1.507 119.034 120.570 -0.048 0.000 2.512 2214 I HA 0.127 5.409 4.170 1.854 0.000 0.287 2214 I C -0.546 175.500 176.117 -0.118 0.000 1.069 2214 I CA -1.172 60.092 61.300 -0.061 0.000 1.056 2214 I CB 2.850 40.814 38.000 -0.059 0.000 1.229 2214 I HN -0.435 nan 8.210 nan 0.000 0.429 2215 V N 5.366 125.111 119.914 -0.282 0.000 2.637 2215 V HA 0.273 5.506 4.120 1.854 0.000 0.296 2215 V C 1.085 177.105 176.094 -0.124 0.000 1.046 2215 V CA 0.581 62.708 62.300 -0.288 0.000 1.066 2215 V CB 1.212 32.705 31.823 -0.551 0.000 0.968 2215 V HN 1.049 nan 8.190 nan 0.000 0.483 2216 G N 2.186 110.979 108.800 -0.012 0.000 2.797 2216 G HA2 0.012 5.084 3.960 1.854 0.000 0.209 2216 G HA3 0.012 5.084 3.960 1.854 0.000 0.209 2216 G C 0.650 175.591 174.900 0.068 0.000 1.080 2216 G CA -0.180 44.971 45.100 0.085 0.000 0.897 2216 G HN 0.583 nan 8.290 nan 0.000 0.641 2217 N N 1.271 119.987 118.700 0.028 0.000 2.268 2217 N HA 0.055 5.908 4.740 1.854 0.000 0.204 2217 N C 0.858 176.358 175.510 -0.017 0.000 1.124 2217 N CA 0.785 53.838 53.050 0.005 0.000 0.838 2217 N CB 0.818 39.297 38.487 -0.013 0.000 0.994 2217 N HN 0.373 nan 8.380 nan 0.000 0.489 2218 S N -1.331 114.402 115.700 0.054 0.000 2.949 2218 S HA 0.481 6.063 4.470 1.854 0.000 0.246 2218 S C 0.409 175.243 174.600 0.389 0.000 0.899 2218 S CA -0.006 58.314 58.200 0.201 0.000 1.091 2218 S CB 0.349 63.564 63.200 0.025 0.000 1.199 2218 S HN 0.339 nan 8.310 nan 0.000 0.507 2219 G N 1.421 110.379 108.800 0.264 0.000 2.710 2219 G HA2 0.000 5.073 3.960 1.854 0.000 0.668 2219 G HA3 0.000 5.073 3.960 1.854 0.000 0.668 2219 G C -0.830 174.201 174.900 0.218 0.000 1.320 2219 G CA -0.616 44.607 45.100 0.204 0.000 0.860 2219 G HN 0.993 nan 8.290 nan 0.000 0.538 2220 F N 1.049 121.016 119.950 0.027 0.000 2.444 2220 F HA 0.730 6.366 4.527 1.848 0.000 0.360 2220 F C 0.591 176.491 175.800 0.166 0.000 1.106 2220 F CA -0.925 57.090 58.000 0.026 0.000 1.170 2220 F CB 0.185 39.136 39.000 -0.081 0.000 1.113 2220 F HN 0.434 nan 8.300 nan 0.000 0.521 2221 I N 7.209 127.504 120.570 -0.457 0.000 2.478 2221 I HA 0.306 5.589 4.170 1.854 0.000 0.287 2221 I C -0.976 174.851 176.117 -0.483 0.000 1.042 2221 I CA -1.070 59.987 61.300 -0.405 0.000 1.067 2221 I CB 1.859 39.681 38.000 -0.296 0.000 1.233 2221 I HN 0.161 nan 8.210 nan 0.000 0.431 2222 V N 7.175 126.878 119.914 -0.352 0.000 2.644 2222 V HA 0.390 5.622 4.120 1.854 0.000 0.295 2222 V C -1.962 174.166 176.094 0.056 0.000 1.053 2222 V CA -1.562 60.655 62.300 -0.139 0.000 0.987 2222 V CB 1.485 33.266 31.823 -0.070 0.000 1.006 2222 V HN 0.592 nan 8.190 nan 0.000 0.472 2223 P HA 0.202 nan 4.420 nan 0.000 0.279 2223 P C -0.795 176.518 177.300 0.021 0.000 1.239 2223 P CA -0.405 62.758 63.100 0.106 0.000 0.789 2223 P CB 0.846 32.693 31.700 0.245 0.000 0.933 2224 D N 0.772 121.143 120.400 -0.049 0.000 2.361 2224 D HA 0.174 5.927 4.640 1.854 0.000 0.239 2224 D C 0.574 176.885 176.300 0.019 0.000 1.200 2224 D CA 0.219 54.218 54.000 -0.002 0.000 0.915 2224 D CB 0.469 41.263 40.800 -0.009 0.000 1.170 2224 D HN 0.389 nan 8.370 nan 0.000 0.444 2225 A N 0.052 122.870 122.820 -0.003 0.000 2.546 2225 A HA 0.408 5.840 4.320 1.854 0.000 0.243 2225 A C 1.448 179.046 177.584 0.023 0.000 1.063 2225 A CA 0.659 52.685 52.037 -0.018 0.000 0.757 2225 A CB -0.341 18.645 19.000 -0.024 0.000 0.991 2225 A HN 0.808 nan 8.150 nan 0.000 0.503 2226 G N 1.215 110.025 108.800 0.016 0.000 2.189 2226 G HA2 -0.359 4.713 3.960 1.854 0.000 0.267 2226 G HA3 -0.359 4.713 3.960 1.854 0.000 0.267 2226 G C 0.773 175.717 174.900 0.073 0.000 0.975 2226 G CA 1.077 46.196 45.100 0.032 0.000 0.644 2226 G HN 1.331 nan 8.290 nan 0.000 0.537 2227 F N 1.016 120.927 119.950 -0.065 0.000 2.084 2227 F HA 0.195 5.836 4.527 1.856 0.000 0.296 2227 F C 2.546 178.316 175.800 -0.050 0.000 1.111 2227 F CA 2.102 60.048 58.000 -0.090 0.000 1.224 2227 F CB -0.430 38.460 39.000 -0.183 0.000 0.991 2227 F HN 0.184 nan 8.300 nan 0.000 0.471 2228 L N -0.141 121.033 121.223 -0.082 0.000 2.046 2228 L HA -0.200 5.252 4.340 1.854 0.000 0.208 2228 L C 2.338 179.180 176.870 -0.048 0.000 1.077 2228 L CA 1.633 56.419 54.840 -0.089 0.000 0.747 2228 L CB -0.837 41.302 42.059 0.134 0.000 0.896 2228 L HN 0.097 nan 8.230 nan 0.000 0.432 2229 E N 0.425 120.619 120.200 -0.011 0.000 2.085 2229 E HA -0.160 5.303 4.350 1.854 0.000 0.194 2229 E C 2.179 178.750 176.600 -0.049 0.000 0.994 2229 E CA 1.250 57.643 56.400 -0.010 0.000 0.801 2229 E CB -0.609 29.091 29.700 -0.001 0.000 0.743 2229 E HN 0.470 nan 8.360 nan 0.000 0.453 2230 G N 0.778 109.531 108.800 -0.077 0.000 2.446 2230 G HA2 -0.255 4.818 3.960 1.854 0.000 0.217 2230 G HA3 -0.255 4.818 3.960 1.854 0.000 0.217 2230 G C 1.534 176.364 174.900 -0.118 0.000 1.168 2230 G CA 0.804 45.853 45.100 -0.084 0.000 0.771 2230 G HN 0.170 nan 8.290 nan 0.000 0.551 2231 L N -0.309 120.791 121.223 -0.204 0.000 2.083 2231 L HA -0.053 5.399 4.340 1.854 0.000 0.209 2231 L C 3.045 179.876 176.870 -0.066 0.000 1.083 2231 L CA 0.768 55.521 54.840 -0.145 0.000 0.752 2231 L CB -0.375 41.561 42.059 -0.205 0.000 0.899 2231 L HN 0.093 nan 8.230 nan 0.000 0.433 2232 R N 0.629 121.095 120.500 -0.055 0.000 2.081 2232 R HA -0.201 5.252 4.340 1.854 0.000 0.235 2232 R C 2.059 178.326 176.300 -0.055 0.000 1.131 2232 R CA 1.827 57.900 56.100 -0.045 0.000 0.960 2232 R CB -0.345 29.934 30.300 -0.034 0.000 0.856 2232 R HN 0.478 nan 8.270 nan 0.000 0.436 2233 E N 0.421 120.584 120.200 -0.061 0.000 2.047 2233 E HA -0.149 5.314 4.350 1.854 0.000 0.191 2233 E C 2.122 178.667 176.600 -0.090 0.000 0.987 2233 E CA 1.575 57.935 56.400 -0.066 0.000 0.799 2233 E CB -0.241 29.424 29.700 -0.057 0.000 0.752 2233 E HN 0.496 nan 8.360 nan 0.000 0.449 2234 I N -0.192 120.309 120.570 -0.114 0.000 2.315 2234 I HA -0.167 5.116 4.170 1.854 0.000 0.248 2234 I C 2.477 178.460 176.117 -0.223 0.000 1.117 2234 I CA 1.714 62.904 61.300 -0.183 0.000 1.404 2234 I CB -0.938 36.898 38.000 -0.274 0.000 1.071 2234 I HN 0.082 nan 8.210 nan 0.000 0.419 2235 T N 0.292 114.760 114.554 -0.143 0.000 2.821 2235 T HA -0.040 5.422 4.350 1.854 0.000 0.267 2235 T C 1.972 176.668 174.700 -0.007 0.000 1.046 2235 T CA 1.237 63.314 62.100 -0.039 0.000 1.139 2235 T CB -0.828 68.067 68.868 0.045 0.000 0.871 2235 T HN 0.433 nan 8.240 nan 0.000 0.454 2236 L N 0.808 122.007 121.223 -0.039 0.000 2.046 2236 L HA -0.024 5.429 4.340 1.854 0.000 0.208 2236 L C 3.073 179.903 176.870 -0.067 0.000 1.077 2236 L CA 1.783 56.600 54.840 -0.038 0.000 0.747 2236 L CB -0.572 41.458 42.059 -0.048 0.000 0.896 2236 L HN 0.383 nan 8.230 nan 0.000 0.432 2237 E N -0.337 119.788 120.200 -0.125 0.000 2.160 2237 E HA -0.238 5.225 4.350 1.854 0.000 0.195 2237 E C 1.004 177.370 176.600 -0.389 0.000 0.991 2237 E CA 1.305 57.550 56.400 -0.258 0.000 0.810 2237 E CB 0.130 29.632 29.700 -0.330 0.000 0.742 2237 E HN 0.606 nan 8.360 nan 0.000 0.466 2238 H N -0.310 118.697 119.070 -0.105 0.000 2.528 2238 H HA 0.152 5.821 4.556 1.855 0.000 0.282 2238 H C -0.648 174.710 175.328 0.050 0.000 1.097 2238 H CA 0.150 56.191 56.048 -0.012 0.000 1.121 2238 H CB 0.641 30.423 29.762 0.034 0.000 1.590 2238 H HN 0.082 nan 8.280 nan 0.000 0.553 2239 D N 0.107 120.561 120.400 0.090 0.000 2.772 2239 D HA -0.167 5.585 4.640 1.854 0.000 0.233 2239 D C 0.056 176.438 176.300 0.137 0.000 1.143 2239 D CA 0.957 55.010 54.000 0.088 0.000 0.700 2239 D CB -1.166 39.670 40.800 0.060 0.000 1.076 2239 D HN 0.552 nan 8.370 nan 0.000 0.430 2240 A N -0.257 122.666 122.820 0.171 0.000 2.299 2240 A HA 0.677 6.110 4.320 1.854 0.000 0.332 2240 A C -0.045 177.619 177.584 0.134 0.000 1.131 2240 A CA -0.587 51.567 52.037 0.196 0.000 0.844 2240 A CB 1.171 20.381 19.000 0.351 0.000 1.251 2240 A HN 0.078 nan 8.150 nan 0.000 0.486 2241 L N 0.498 121.787 121.223 0.110 0.000 2.357 2241 L HA 0.490 5.942 4.340 1.854 0.000 0.273 2241 L C -0.336 176.555 176.870 0.036 0.000 1.080 2241 L CA -0.273 54.596 54.840 0.048 0.000 0.803 2241 L CB 1.233 43.302 42.059 0.018 0.000 1.174 2241 L HN 0.624 nan 8.230 nan 0.000 0.443 2242 L N 3.865 125.076 121.223 -0.019 0.000 2.280 2242 L HA 0.608 6.060 4.340 1.854 0.000 0.287 2242 L C -0.921 175.905 176.870 -0.073 0.000 1.023 2242 L CA -0.159 54.669 54.840 -0.021 0.000 0.819 2242 L CB 1.379 43.384 42.059 -0.089 0.000 1.212 2242 L HN 0.273 nan 8.230 nan 0.000 0.420 2243 V N 5.819 125.756 119.914 0.039 0.000 2.409 2243 V HA 0.461 5.693 4.120 1.854 0.000 0.291 2243 V C -0.564 175.712 176.094 0.304 0.000 1.020 2243 V CA -0.502 61.832 62.300 0.056 0.000 0.848 2243 V CB 1.339 33.160 31.823 -0.004 0.000 0.990 2243 V HN 0.446 nan 8.190 nan 0.000 0.430 2244 F N 2.754 122.720 119.950 0.027 0.000 2.415 2244 F HA 0.400 6.041 4.527 1.857 0.000 0.348 2244 F C 0.467 176.309 175.800 0.070 0.000 1.119 2244 F CA -1.593 56.444 58.000 0.062 0.000 1.069 2244 F CB 1.354 40.379 39.000 0.042 0.000 1.124 2244 F HN 0.495 nan 8.300 nan 0.000 0.472 2245 D N 3.750 124.314 120.400 0.274 0.000 2.441 2245 D HA 0.087 5.840 4.640 1.854 0.000 0.221 2245 D C 0.086 176.494 176.300 0.180 0.000 1.156 2245 D CA 0.109 54.246 54.000 0.229 0.000 0.896 2245 D CB 0.360 41.370 40.800 0.350 0.000 1.028 2245 D HN 0.574 nan 8.370 nan 0.000 0.509 2246 E N 2.862 123.156 120.200 0.157 0.000 2.499 2246 E HA 0.057 5.520 4.350 1.854 0.000 0.207 2246 E C 1.533 178.210 176.600 0.129 0.000 1.034 2246 E CA -0.175 56.294 56.400 0.115 0.000 1.098 2246 E CB 1.050 30.799 29.700 0.081 0.000 1.148 2246 E HN 0.316 nan 8.360 nan 0.000 0.447 2247 V N 0.613 120.614 119.914 0.145 0.000 2.392 2247 V HA -0.270 4.963 4.120 1.854 0.000 0.249 2247 V C 2.002 178.182 176.094 0.143 0.000 1.059 2247 V CA 1.686 64.074 62.300 0.147 0.000 1.051 2247 V CB -0.218 31.691 31.823 0.143 0.000 0.658 2247 V HN 0.413 nan 8.190 nan 0.000 0.455 2248 I N 0.013 120.673 120.570 0.151 0.000 2.628 2248 I HA -0.105 5.177 4.170 1.854 0.000 0.255 2248 I C 2.619 178.825 176.117 0.149 0.000 1.119 2248 I CA 1.523 62.917 61.300 0.156 0.000 1.448 2248 I CB -0.505 37.648 38.000 0.255 0.000 1.133 2248 I HN 0.449 nan 8.210 nan 0.000 0.438 2249 T N -0.862 113.774 114.554 0.137 0.000 2.951 2249 T HA 0.034 5.496 4.350 1.854 0.000 0.268 2249 T C 1.342 176.078 174.700 0.060 0.000 1.073 2249 T CA 0.368 62.529 62.100 0.102 0.000 1.134 2249 T CB -1.004 67.888 68.868 0.040 0.000 0.884 2249 T HN 0.289 nan 8.240 nan 0.000 0.479 2250 G N 0.388 109.222 108.800 0.057 0.000 2.272 2250 G HA2 0.336 5.409 3.960 1.854 0.000 0.247 2250 G HA3 0.336 5.409 3.960 1.854 0.000 0.247 2250 G C -0.045 174.924 174.900 0.115 0.000 1.272 2250 G CA -0.462 44.618 45.100 -0.032 0.000 0.921 2250 G HN 0.407 nan 8.290 nan 0.000 0.495 2251 F N -0.685 119.271 119.950 0.009 0.000 2.825 2251 F HA -0.275 5.364 4.527 1.853 0.000 0.358 2251 F C 1.959 177.912 175.800 0.256 0.000 0.639 2251 F CA 1.605 59.655 58.000 0.084 0.000 1.153 2251 F CB -0.983 38.035 39.000 0.029 0.000 1.610 2251 F HN 0.589 nan 8.300 nan 0.000 0.305 2252 R N 0.344 121.026 120.500 0.304 0.000 2.119 2252 R HA 0.204 5.656 4.340 1.854 0.000 0.202 2252 R C 2.017 178.516 176.300 0.332 0.000 1.114 2252 R CA 0.579 56.873 56.100 0.323 0.000 1.089 2252 R CB 0.062 30.489 30.300 0.211 0.000 1.000 2252 R HN 0.199 nan 8.270 nan 0.000 0.487 2253 I N 1.340 122.009 120.570 0.165 0.000 2.394 2253 I HA 0.053 5.335 4.170 1.854 0.000 0.251 2253 I C 0.835 176.940 176.117 -0.020 0.000 1.136 2253 I CA 1.049 62.397 61.300 0.080 0.000 1.425 2253 I CB -0.740 37.230 38.000 -0.050 0.000 1.079 2253 I HN 0.315 nan 8.210 nan 0.000 0.425 2254 A N -2.011 120.708 122.820 -0.170 0.000 2.567 2254 A HA 0.291 5.724 4.320 1.854 0.000 0.291 2254 A C 0.077 177.330 177.584 -0.551 0.000 1.048 2254 A CA -0.575 51.110 52.037 -0.586 0.000 0.661 2254 A CB -0.192 18.602 19.000 -0.344 0.000 1.288 2254 A HN 0.039 nan 8.150 nan 0.000 0.424 2255 Y N 0.925 120.728 120.300 -0.829 0.000 2.207 2255 Y HA -0.007 5.656 4.550 1.854 0.000 0.287 2255 Y C 2.005 177.686 175.900 -0.364 0.000 1.156 2255 Y CA 3.099 61.037 58.100 -0.270 0.000 1.182 2255 Y CB 0.052 38.467 38.460 -0.075 0.000 0.979 2255 Y HN 0.745 nan 8.280 nan 0.000 0.521 2256 G N -0.798 107.842 108.800 -0.267 0.000 3.284 2256 G HA2 0.410 5.483 3.960 1.854 0.000 0.236 2256 G HA3 0.410 5.483 3.960 1.854 0.000 0.236 2256 G C 0.664 175.375 174.900 -0.315 0.000 1.158 2256 G CA 0.306 45.218 45.100 -0.314 0.000 0.774 2256 G HN 0.808 nan 8.290 nan 0.000 0.545 2257 G N -0.674 107.919 108.800 -0.345 0.000 2.698 2257 G HA2 -0.231 4.841 3.960 1.854 0.000 0.233 2257 G HA3 -0.231 4.841 3.960 1.854 0.000 0.233 2257 G C 0.971 175.757 174.900 -0.189 0.000 1.352 2257 G CA -0.192 44.765 45.100 -0.238 0.000 0.879 2257 G HN 0.566 nan 8.290 nan 0.000 0.567 2258 V N 1.580 121.390 119.914 -0.173 0.000 2.427 2258 V HA -0.214 5.019 4.120 1.854 0.000 0.248 2258 V C 3.044 179.073 176.094 -0.107 0.000 1.051 2258 V CA 3.132 65.262 62.300 -0.284 0.000 1.048 2258 V CB -0.774 30.865 31.823 -0.308 0.000 0.666 2258 V HN 0.850 nan 8.190 nan 0.000 0.456 2259 Q N 0.642 120.498 119.800 0.093 0.000 2.181 2259 Q HA -0.292 5.161 4.340 1.854 0.000 0.205 2259 Q C 2.093 178.143 176.000 0.082 0.000 0.980 2259 Q CA 2.192 58.121 55.803 0.211 0.000 0.862 2259 Q CB -0.423 28.439 28.738 0.207 0.000 0.905 2259 Q HN 0.794 nan 8.270 nan 0.000 0.429 2260 E N 1.291 121.489 120.200 -0.004 0.000 2.051 2260 E HA -0.186 5.276 4.350 1.854 0.000 0.189 2260 E C 1.980 178.586 176.600 0.011 0.000 0.979 2260 E CA 0.935 57.327 56.400 -0.013 0.000 0.803 2260 E CB 0.116 29.778 29.700 -0.064 0.000 0.761 2260 E HN 0.184 nan 8.360 nan 0.000 0.451 2261 K N 0.323 120.693 120.400 -0.049 0.000 2.032 2261 K HA -0.110 5.323 4.320 1.854 0.000 0.209 2261 K C 1.500 178.264 176.600 0.274 0.000 1.048 2261 K CA 1.742 58.024 56.287 -0.008 0.000 0.927 2261 K CB -0.323 32.024 32.500 -0.255 0.000 0.712 2261 K HN 0.235 nan 8.250 nan 0.000 0.441 2262 F N -0.743 119.237 119.950 0.049 0.000 2.693 2262 F HA 0.202 5.841 4.527 1.853 0.000 0.303 2262 F C 1.173 177.009 175.800 0.061 0.000 1.097 2262 F CA -0.210 57.825 58.000 0.057 0.000 1.330 2262 F CB 0.520 39.559 39.000 0.065 0.000 1.067 2262 F HN 0.351 nan 8.300 nan 0.000 0.565 2263 G N 1.508 110.445 108.800 0.228 0.000 2.168 2263 G HA2 -0.297 4.775 3.960 1.854 0.000 0.257 2263 G HA3 -0.297 4.775 3.960 1.854 0.000 0.257 2263 G C -0.183 174.790 174.900 0.122 0.000 0.997 2263 G CA 0.138 45.321 45.100 0.139 0.000 0.708 2263 G HN 0.173 nan 8.290 nan 0.000 0.520 2264 V N 0.869 120.889 119.914 0.176 0.000 2.384 2264 V HA 0.589 5.822 4.120 1.854 0.000 0.287 2264 V C 0.432 176.556 176.094 0.049 0.000 1.020 2264 V CA -0.216 62.165 62.300 0.135 0.000 0.850 2264 V CB 1.851 33.817 31.823 0.238 0.000 0.987 2264 V HN 0.257 nan 8.190 nan 0.000 0.436 2265 T N 8.035 122.550 114.554 -0.065 0.000 2.753 2265 T HA 0.378 5.840 4.350 1.854 0.000 0.297 2265 T C -2.154 172.359 174.700 -0.312 0.000 0.981 2265 T CA -0.836 61.166 62.100 -0.163 0.000 0.956 2265 T CB 1.372 70.180 68.868 -0.099 0.000 0.936 2265 T HN 0.540 nan 8.240 nan 0.000 0.463 2266 P HA 0.331 nan 4.420 nan 0.000 0.279 2266 P C -0.057 177.052 177.300 -0.319 0.000 1.282 2266 P CA -0.354 62.375 63.100 -0.619 0.000 0.788 2266 P CB 1.254 32.322 31.700 -1.053 0.000 1.139 2267 D N -1.230 119.022 120.400 -0.246 0.000 2.301 2267 D HA 0.151 5.903 4.640 1.854 0.000 0.206 2267 D C 0.236 176.440 176.300 -0.161 0.000 0.979 2267 D CA 1.021 54.915 54.000 -0.178 0.000 0.874 2267 D CB 0.227 40.936 40.800 -0.151 0.000 0.968 2267 D HN 0.072 nan 8.370 nan 0.000 0.510 2268 L N -0.026 121.109 121.223 -0.146 0.000 2.466 2268 L HA 0.369 5.822 4.340 1.854 0.000 0.258 2268 L C -0.478 176.364 176.870 -0.048 0.000 0.973 2268 L CA -0.597 54.190 54.840 -0.088 0.000 0.826 2268 L CB 2.111 44.124 42.059 -0.076 0.000 1.372 2268 L HN -0.131 nan 8.230 nan 0.000 0.409 2269 T N -1.049 113.508 114.554 0.004 0.000 2.916 2269 T HA 0.804 6.267 4.350 1.854 0.000 0.305 2269 T C -0.578 174.177 174.700 0.092 0.000 1.119 2269 T CA -0.186 61.953 62.100 0.066 0.000 1.008 2269 T CB 1.757 70.668 68.868 0.071 0.000 1.129 2269 T HN 0.743 nan 8.240 nan 0.000 0.480 2270 T N 2.015 116.639 114.554 0.117 0.000 2.895 2270 T HA 0.789 6.252 4.350 1.854 0.000 0.283 2270 T C -0.317 174.466 174.700 0.138 0.000 1.014 2270 T CA -0.832 61.346 62.100 0.130 0.000 1.037 2270 T CB 0.912 69.845 68.868 0.108 0.000 1.006 2270 T HN 0.680 nan 8.240 nan 0.000 0.468 2271 L N 1.121 122.435 121.223 0.152 0.000 2.327 2271 L HA 0.924 6.376 4.340 1.854 0.000 0.258 2271 L C 0.598 177.569 176.870 0.168 0.000 1.024 2271 L CA -0.929 54.017 54.840 0.176 0.000 0.825 2271 L CB 2.306 44.500 42.059 0.224 0.000 1.386 2271 L HN 1.083 nan 8.230 nan 0.000 0.417 2272 G N -0.817 108.082 108.800 0.166 0.000 2.500 2272 G HA2 0.354 5.426 3.960 1.854 0.000 0.299 2272 G HA3 0.354 5.426 3.960 1.854 0.000 0.299 2272 G C -0.778 174.187 174.900 0.108 0.000 1.242 2272 G CA -0.119 45.059 45.100 0.131 0.000 0.859 2272 G HN 0.535 nan 8.290 nan 0.000 0.481 2273 K N -1.087 119.364 120.400 0.086 0.000 4.822 2273 K HA -0.353 5.080 4.320 1.854 0.000 0.252 2273 K C 2.087 178.701 176.600 0.023 0.000 0.687 2273 K CA 2.336 58.659 56.287 0.060 0.000 0.808 2273 K CB -1.342 31.189 32.500 0.052 0.000 0.777 2273 K HN 0.374 nan 8.250 nan 0.000 0.840 2274 I N 0.980 121.559 120.570 0.015 0.000 2.236 2274 I HA -0.287 4.995 4.170 1.854 0.000 0.249 2274 I C 2.550 178.593 176.117 -0.123 0.000 1.102 2274 I CA 1.740 63.019 61.300 -0.035 0.000 1.365 2274 I CB -0.303 37.708 38.000 0.018 0.000 1.051 2274 I HN 0.347 nan 8.210 nan 0.000 0.420 2275 I N 0.608 121.104 120.570 -0.124 0.000 2.700 2275 I HA -0.191 5.092 4.170 1.854 0.000 0.261 2275 I C 2.025 178.066 176.117 -0.125 0.000 1.219 2275 I CA 1.349 62.533 61.300 -0.194 0.000 1.463 2275 I CB -0.174 37.791 38.000 -0.058 0.000 1.092 2275 I HN 0.223 nan 8.210 nan 0.000 0.452 2276 G N -0.662 108.096 108.800 -0.070 0.000 2.986 2276 G HA2 0.138 5.211 3.960 1.854 0.000 0.213 2276 G HA3 0.138 5.211 3.960 1.854 0.000 0.213 2276 G C 1.263 176.128 174.900 -0.059 0.000 1.156 2276 G CA 0.390 45.453 45.100 -0.062 0.000 0.763 2276 G HN 0.536 nan 8.290 nan 0.000 0.547 2277 G N -0.532 108.230 108.800 -0.064 0.000 2.212 2277 G HA2 0.133 5.205 3.960 1.854 0.000 0.267 2277 G HA3 0.133 5.205 3.960 1.854 0.000 0.267 2277 G C 1.220 176.116 174.900 -0.006 0.000 1.002 2277 G CA 1.388 46.459 45.100 -0.048 0.000 0.729 2277 G HN 1.832 nan 8.290 nan 0.000 0.517 2278 G N -2.669 106.139 108.800 0.013 0.000 2.380 2278 G HA2 0.029 5.102 3.960 1.854 0.000 0.197 2278 G HA3 0.029 5.102 3.960 1.854 0.000 0.197 2278 G C 0.197 175.123 174.900 0.043 0.000 1.001 2278 G CA 0.250 45.378 45.100 0.048 0.000 0.668 2278 G HN 1.027 nan 8.290 nan 0.000 0.483 2279 L N 1.746 122.977 121.223 0.015 0.000 2.416 2279 L HA 0.635 6.087 4.340 1.854 0.000 0.262 2279 L C -2.058 174.820 176.870 0.013 0.000 1.093 2279 L CA -2.096 52.749 54.840 0.008 0.000 0.801 2279 L CB 0.568 42.614 42.059 -0.020 0.000 1.191 2279 L HN -0.146 nan 8.230 nan 0.000 0.459 2280 P HA 0.223 nan 4.420 nan 0.000 0.269 2280 P C -1.326 175.984 177.300 0.018 0.000 1.252 2280 P CA 0.181 63.298 63.100 0.029 0.000 0.780 2280 P CB 0.455 32.174 31.700 0.032 0.000 0.829 2281 V N 3.015 122.948 119.914 0.032 0.000 3.048 2281 V HA 0.848 6.081 4.120 1.854 0.000 0.303 2281 V C 0.255 176.401 176.094 0.086 0.000 1.214 2281 V CA -0.609 61.713 62.300 0.038 0.000 0.984 2281 V CB 2.466 34.283 31.823 -0.010 0.000 1.054 2281 V HN 0.629 nan 8.190 nan 0.000 0.430 2282 G N 1.008 109.886 108.800 0.130 0.000 2.695 2282 G HA2 1.021 6.093 3.960 1.854 0.000 0.290 2282 G HA3 1.021 6.093 3.960 1.854 0.000 0.290 2282 G C -1.313 173.720 174.900 0.221 0.000 1.410 2282 G CA -0.200 44.995 45.100 0.158 0.000 0.844 2282 G HN 1.505 nan 8.290 nan 0.000 0.478 2283 A N -0.704 122.234 122.820 0.197 0.000 2.605 2283 A HA 0.812 6.245 4.320 1.854 0.000 0.294 2283 A C -1.710 175.961 177.584 0.145 0.000 1.062 2283 A CA -0.659 51.451 52.037 0.121 0.000 0.682 2283 A CB 1.167 20.227 19.000 0.100 0.000 1.278 2283 A HN 2.171 nan 8.150 nan 0.000 0.410 2284 Y N -0.768 119.488 120.300 -0.074 0.000 2.479 2284 Y HA 0.864 6.526 4.550 1.854 0.000 0.338 2284 Y C -0.044 175.785 175.900 -0.118 0.000 1.055 2284 Y CA -0.425 57.630 58.100 -0.074 0.000 1.023 2284 Y CB 1.248 39.668 38.460 -0.067 0.000 1.287 2284 Y HN 1.572 nan 8.280 nan 0.000 0.447 2285 G N 0.121 108.914 108.800 -0.011 0.000 2.600 2285 G HA2 0.732 5.804 3.960 1.854 0.000 0.293 2285 G HA3 0.732 5.804 3.960 1.854 0.000 0.293 2285 G C -0.894 173.973 174.900 -0.055 0.000 1.408 2285 G CA -0.409 44.628 45.100 -0.104 0.000 0.782 2285 G HN 1.603 nan 8.290 nan 0.000 0.482 2286 G N -1.100 107.647 108.800 -0.088 0.000 2.392 2286 G HA2 0.407 5.480 3.960 1.854 0.000 0.260 2286 G HA3 0.407 5.480 3.960 1.854 0.000 0.260 2286 G C -1.124 173.710 174.900 -0.109 0.000 1.226 2286 G CA -0.873 44.168 45.100 -0.097 0.000 0.913 2286 G HN 0.634 nan 8.290 nan 0.000 0.483 2287 K N 0.750 121.073 120.400 -0.129 0.000 2.524 2287 K HA 0.080 5.513 4.320 1.854 0.000 0.279 2287 K C 1.508 178.038 176.600 -0.117 0.000 0.993 2287 K CA -0.053 56.161 56.287 -0.121 0.000 1.030 2287 K CB 1.319 33.733 32.500 -0.143 0.000 0.891 2287 K HN 0.574 nan 8.250 nan 0.000 0.488 2288 R N 2.647 123.097 120.500 -0.084 0.000 2.096 2288 R HA -0.238 5.214 4.340 1.854 0.000 0.240 2288 R C 1.075 177.339 176.300 -0.060 0.000 1.139 2288 R CA 2.128 58.188 56.100 -0.067 0.000 0.952 2288 R CB 0.062 30.335 30.300 -0.045 0.000 0.854 2288 R HN 0.610 nan 8.270 nan 0.000 0.436 2289 E N 0.181 120.349 120.200 -0.053 0.000 2.209 2289 E HA -0.173 5.289 4.350 1.854 0.000 0.196 2289 E C 1.812 178.387 176.600 -0.041 0.000 0.993 2289 E CA 1.444 57.838 56.400 -0.010 0.000 0.819 2289 E CB -0.118 29.606 29.700 0.040 0.000 0.745 2289 E HN 0.509 nan 8.360 nan 0.000 0.477 2290 I N -0.280 120.166 120.570 -0.206 0.000 2.494 2290 I HA -0.116 5.167 4.170 1.854 0.000 0.250 2290 I C 1.829 177.877 176.117 -0.115 0.000 1.112 2290 I CA 0.500 61.602 61.300 -0.330 0.000 1.438 2290 I CB -0.175 37.493 38.000 -0.553 0.000 1.111 2290 I HN 0.103 nan 8.210 nan 0.000 0.431 2291 M N 0.435 119.979 119.600 -0.093 0.000 2.446 2291 M HA -0.151 5.442 4.480 1.854 0.000 0.263 2291 M C 2.020 178.306 176.300 -0.025 0.000 1.066 2291 M CA 1.297 56.567 55.300 -0.050 0.000 1.087 2291 M CB -1.023 31.525 32.600 -0.087 0.000 1.406 2291 M HN 0.269 nan 8.290 nan 0.000 0.459 2292 Q N -0.119 119.673 119.800 -0.013 0.000 2.437 2292 Q HA -0.026 5.426 4.340 1.854 0.000 0.210 2292 Q C 1.800 177.818 176.000 0.030 0.000 0.972 2292 Q CA 0.927 56.735 55.803 0.007 0.000 0.903 2292 Q CB -0.301 28.447 28.738 0.018 0.000 0.967 2292 Q HN 0.406 nan 8.270 nan 0.000 0.486 2293 L N -0.752 120.499 121.223 0.047 0.000 2.492 2293 L HA 0.011 5.464 4.340 1.854 0.000 0.223 2293 L C 0.501 177.403 176.870 0.053 0.000 1.132 2293 L CA 0.371 55.249 54.840 0.062 0.000 0.850 2293 L CB 0.031 42.145 42.059 0.092 0.000 0.966 2293 L HN -0.173 nan 8.230 nan 0.000 0.454 2294 V N 0.908 120.848 119.914 0.044 0.000 2.521 2294 V HA 0.343 5.575 4.120 1.854 0.000 0.286 2294 V C 0.933 177.038 176.094 0.019 0.000 1.034 2294 V CA -0.814 61.511 62.300 0.042 0.000 1.045 2294 V CB 0.502 32.354 31.823 0.049 0.000 0.974 2294 V HN 0.261 nan 8.190 nan 0.000 0.480 2295 A N 8.223 131.053 122.820 0.016 0.000 2.483 2295 A HA 0.357 5.790 4.320 1.854 0.000 0.238 2295 A C -0.566 177.009 177.584 -0.015 0.000 1.070 2295 A CA -0.679 51.373 52.037 0.026 0.000 0.770 2295 A CB -0.097 18.943 19.000 0.068 0.000 1.008 2295 A HN 0.792 nan 8.150 nan 0.000 0.497 2296 P HA 0.075 nan 4.420 nan 0.000 0.249 2296 P C 0.994 178.317 177.300 0.037 0.000 1.229 2296 P CA 1.022 64.150 63.100 0.047 0.000 0.788 2296 P CB 0.295 32.023 31.700 0.048 0.000 1.072 2297 A N 0.192 123.025 122.820 0.021 0.000 1.929 2297 A HA 0.288 5.720 4.320 1.854 0.000 0.216 2297 A C 1.459 179.060 177.584 0.029 0.000 1.176 2297 A CA 1.388 53.436 52.037 0.018 0.000 0.628 2297 A CB -0.976 18.027 19.000 0.004 0.000 0.816 2297 A HN 0.373 nan 8.150 nan 0.000 0.444 2298 G N -2.349 106.474 108.800 0.037 0.000 3.140 2298 G HA2 0.493 5.566 3.960 1.854 0.000 0.271 2298 G HA3 0.493 5.566 3.960 1.854 0.000 0.271 2298 G C -2.038 172.899 174.900 0.062 0.000 1.370 2298 G CA -0.221 44.906 45.100 0.046 0.000 1.014 2298 G HN -0.036 nan 8.290 nan 0.000 0.541 2299 P HA 0.031 nan 4.420 nan 0.000 0.227 2299 P C 0.897 178.254 177.300 0.095 0.000 1.161 2299 P CA 0.389 63.532 63.100 0.072 0.000 0.788 2299 P CB 0.376 32.106 31.700 0.050 0.000 0.822 2300 M N 0.723 120.372 119.600 0.082 0.000 2.292 2300 M HA 0.079 5.672 4.480 1.854 0.000 0.342 2300 M C -0.812 175.553 176.300 0.108 0.000 1.538 2300 M CA -0.456 54.894 55.300 0.083 0.000 1.163 2300 M CB -0.209 32.422 32.600 0.051 0.000 1.823 2300 M HN -0.161 nan 8.290 nan 0.000 0.462 2301 Y N 5.131 125.441 120.300 0.017 0.000 2.319 2301 Y HA 0.252 5.915 4.550 1.854 0.000 0.328 2301 Y C -0.239 175.675 175.900 0.024 0.000 1.133 2301 Y CA 0.565 58.678 58.100 0.022 0.000 1.265 2301 Y CB 0.538 39.007 38.460 0.015 0.000 1.218 2301 Y HN 0.597 nan 8.280 nan 0.000 0.508 2302 Q N 4.793 124.233 119.800 -0.600 0.000 2.364 2302 Q HA 0.603 6.055 4.340 1.854 0.000 0.251 2302 Q C -2.226 173.484 176.000 -0.483 0.000 0.927 2302 Q CA -0.429 55.165 55.803 -0.348 0.000 0.924 2302 Q CB 1.418 30.096 28.738 -0.099 0.000 1.419 2302 Q HN 0.873 nan 8.270 nan 0.000 0.427 2303 A N 1.496 124.118 122.820 -0.330 0.000 2.437 2303 A HA 1.063 6.495 4.320 1.854 0.000 0.292 2303 A C -0.622 176.939 177.584 -0.038 0.000 1.173 2303 A CA -0.237 51.682 52.037 -0.196 0.000 0.785 2303 A CB 2.054 20.979 19.000 -0.125 0.000 1.351 2303 A HN 0.843 nan 8.150 nan 0.000 0.431 2304 G N -0.896 107.904 108.800 -0.001 0.000 2.334 2304 G HA2 0.450 5.522 3.960 1.854 0.000 0.290 2304 G HA3 0.450 5.522 3.960 1.854 0.000 0.290 2304 G C 0.103 175.024 174.900 0.035 0.000 1.310 2304 G CA 0.508 45.624 45.100 0.028 0.000 1.308 2304 G HN 0.627 nan 8.290 nan 0.000 0.612 2305 T N 2.211 116.790 114.554 0.040 0.000 2.635 2305 T HA -0.158 5.305 4.350 1.854 0.000 0.267 2305 T C 2.151 176.869 174.700 0.031 0.000 1.040 2305 T CA 1.447 63.571 62.100 0.040 0.000 1.156 2305 T CB -0.105 68.788 68.868 0.041 0.000 0.863 2305 T HN 0.227 nan 8.240 nan 0.000 0.430 2306 L N 1.225 122.462 121.223 0.023 0.000 2.611 2306 L HA 0.244 5.697 4.340 1.854 0.000 0.229 2306 L C 0.717 177.586 176.870 -0.002 0.000 1.137 2306 L CA 0.084 54.927 54.840 0.004 0.000 0.901 2306 L CB -0.178 41.880 42.059 -0.002 0.000 1.098 2306 L HN -0.004 nan 8.230 nan 0.000 0.456 2307 S N 0.504 116.216 115.700 0.021 0.000 2.537 2307 S HA 0.351 5.934 4.470 1.854 0.000 0.286 2307 S C 1.303 175.914 174.600 0.019 0.000 1.299 2307 S CA 0.327 58.549 58.200 0.037 0.000 1.067 2307 S CB 0.480 63.720 63.200 0.066 0.000 0.864 2307 S HN 0.575 nan 8.310 nan 0.000 0.494 2308 G N 2.878 111.666 108.800 -0.021 0.000 2.198 2308 G HA2 -0.292 4.781 3.960 1.854 0.000 0.260 2308 G HA3 -0.292 4.781 3.960 1.854 0.000 0.260 2308 G C -0.175 174.644 174.900 -0.135 0.000 1.025 2308 G CA 0.150 45.191 45.100 -0.098 0.000 0.769 2308 G HN 0.979 nan 8.290 nan 0.000 0.507 2309 N N 0.022 118.632 118.700 -0.150 0.000 2.518 2309 N HA 0.476 6.329 4.740 1.854 0.000 0.266 2309 N C -0.414 174.934 175.510 -0.270 0.000 1.196 2309 N CA -1.086 51.836 53.050 -0.212 0.000 0.947 2309 N CB 1.117 39.497 38.487 -0.177 0.000 1.098 2309 N HN 0.113 nan 8.380 nan 0.000 0.450 2310 P HA -0.229 nan 4.420 nan 0.000 0.217 2310 P C 1.133 178.296 177.300 -0.227 0.000 1.148 2310 P CA 1.313 64.213 63.100 -0.334 0.000 0.828 2310 P CB 0.212 31.585 31.700 -0.544 0.000 0.783 2311 L N -0.760 120.336 121.223 -0.212 0.000 2.072 2311 L HA -0.093 5.359 4.340 1.854 0.000 0.205 2311 L C 2.828 179.621 176.870 -0.128 0.000 1.079 2311 L CA 1.533 56.289 54.840 -0.140 0.000 0.752 2311 L CB -1.084 40.908 42.059 -0.111 0.000 0.906 2311 L HN -0.041 nan 8.230 nan 0.000 0.436 2312 A N -0.348 122.385 122.820 -0.146 0.000 1.898 2312 A HA -0.201 5.232 4.320 1.854 0.000 0.216 2312 A C 2.285 179.753 177.584 -0.193 0.000 1.181 2312 A CA 1.366 53.315 52.037 -0.147 0.000 0.620 2312 A CB -0.311 18.600 19.000 -0.148 0.000 0.819 2312 A HN 0.253 nan 8.150 nan 0.000 0.442 2313 M N -0.392 119.065 119.600 -0.238 0.000 2.086 2313 M HA -0.105 5.487 4.480 1.854 0.000 0.261 2313 M C 2.223 178.419 176.300 -0.175 0.000 1.067 2313 M CA 2.077 57.217 55.300 -0.268 0.000 1.116 2313 M CB -2.112 30.329 32.600 -0.264 0.000 1.348 2313 M HN 0.414 nan 8.290 nan 0.000 0.407 2314 T N 1.415 115.888 114.554 -0.135 0.000 2.684 2314 T HA -0.107 5.355 4.350 1.854 0.000 0.267 2314 T C 1.908 176.556 174.700 -0.086 0.000 1.036 2314 T CA 1.856 63.901 62.100 -0.092 0.000 1.148 2314 T CB -0.365 68.459 68.868 -0.073 0.000 0.863 2314 T HN 0.504 nan 8.240 nan 0.000 0.436 2315 A N 1.202 123.967 122.820 -0.092 0.000 1.933 2315 A HA 0.138 5.571 4.320 1.854 0.000 0.218 2315 A C 2.613 180.136 177.584 -0.102 0.000 1.175 2315 A CA 1.845 53.834 52.037 -0.079 0.000 0.628 2315 A CB -1.296 17.665 19.000 -0.065 0.000 0.814 2315 A HN 0.517 nan 8.150 nan 0.000 0.444 2316 G N 0.050 108.771 108.800 -0.133 0.000 2.404 2316 G HA2 -0.167 4.905 3.960 1.854 0.000 0.215 2316 G HA3 -0.167 4.905 3.960 1.854 0.000 0.215 2316 G C 1.533 176.345 174.900 -0.146 0.000 1.174 2316 G CA 1.086 46.089 45.100 -0.163 0.000 0.780 2316 G HN 0.456 nan 8.290 nan 0.000 0.537 2317 I N 0.164 120.665 120.570 -0.115 0.000 2.127 2317 I HA -0.164 5.119 4.170 1.854 0.000 0.241 2317 I C 2.827 178.909 176.117 -0.059 0.000 1.075 2317 I CA 1.138 62.395 61.300 -0.071 0.000 1.334 2317 I CB -0.117 37.850 38.000 -0.054 0.000 1.040 2317 I HN -0.004 nan 8.210 nan 0.000 0.405 2318 K N 0.500 120.860 120.400 -0.067 0.000 2.097 2318 K HA -0.125 5.308 4.320 1.854 0.000 0.206 2318 K C 2.118 178.661 176.600 -0.096 0.000 1.049 2318 K CA 1.692 57.938 56.287 -0.068 0.000 0.933 2318 K CB -0.571 31.891 32.500 -0.064 0.000 0.717 2318 K HN 0.300 nan 8.250 nan 0.000 0.442 2319 T N 1.576 116.064 114.554 -0.109 0.000 2.777 2319 T HA -0.108 5.355 4.350 1.854 0.000 0.266 2319 T C 1.762 176.413 174.700 -0.082 0.000 1.040 2319 T CA 0.828 62.854 62.100 -0.123 0.000 1.141 2319 T CB -0.070 68.719 68.868 -0.131 0.000 0.868 2319 T HN 0.001 nan 8.240 nan 0.000 0.444 2320 L N 1.205 122.383 121.223 -0.075 0.000 2.093 2320 L HA 0.021 5.473 4.340 1.854 0.000 0.208 2320 L C 2.420 179.372 176.870 0.138 0.000 1.085 2320 L CA 1.516 56.384 54.840 0.046 0.000 0.755 2320 L CB -0.737 41.318 42.059 -0.007 0.000 0.904 2320 L HN 0.329 nan 8.230 nan 0.000 0.435 2321 E N -0.666 119.561 120.200 0.044 0.000 2.110 2321 E HA -0.207 5.256 4.350 1.854 0.000 0.193 2321 E C 2.295 178.895 176.600 -0.000 0.000 0.988 2321 E CA 0.959 57.376 56.400 0.028 0.000 0.804 2321 E CB -0.221 29.479 29.700 -0.001 0.000 0.745 2321 E HN 0.432 nan 8.360 nan 0.000 0.458 2322 L N 0.683 121.880 121.223 -0.043 0.000 2.083 2322 L HA -0.181 5.272 4.340 1.854 0.000 0.209 2322 L C 2.425 179.274 176.870 -0.036 0.000 1.083 2322 L CA 0.866 55.658 54.840 -0.081 0.000 0.752 2322 L CB -0.302 41.636 42.059 -0.201 0.000 0.899 2322 L HN 0.170 nan 8.230 nan 0.000 0.433 2323 L N -0.778 120.466 121.223 0.034 0.000 2.275 2323 L HA -0.147 5.306 4.340 1.854 0.000 0.215 2323 L C 2.517 179.445 176.870 0.098 0.000 1.119 2323 L CA 0.759 55.660 54.840 0.101 0.000 0.790 2323 L CB -0.360 41.892 42.059 0.322 0.000 0.919 2323 L HN 0.191 nan 8.230 nan 0.000 0.443 2324 R N -0.444 120.066 120.500 0.018 0.000 2.307 2324 R HA -0.023 5.430 4.340 1.854 0.000 0.199 2324 R C 0.633 176.888 176.300 -0.074 0.000 1.000 2324 R CA 0.109 56.120 56.100 -0.147 0.000 1.023 2324 R CB 0.232 30.447 30.300 -0.142 0.000 0.908 2324 R HN 0.325 nan 8.270 nan 0.000 0.473 2325 Q N 0.746 120.526 119.800 -0.034 0.000 2.454 2325 Q HA 0.114 5.567 4.340 1.854 0.000 0.247 2325 Q C -2.216 173.778 176.000 -0.011 0.000 1.028 2325 Q CA -1.594 54.194 55.803 -0.026 0.000 0.910 2325 Q CB 0.058 28.779 28.738 -0.029 0.000 1.276 2325 Q HN 0.000 nan 8.270 nan 0.000 0.489 2326 P HA 0.029 nan 4.420 nan 0.000 0.268 2326 P C 0.425 177.738 177.300 0.022 0.000 1.204 2326 P CA 0.777 63.885 63.100 0.013 0.000 0.768 2326 P CB 0.332 32.037 31.700 0.009 0.000 0.842 2327 G N 1.940 110.773 108.800 0.055 0.000 2.168 2327 G HA2 -0.322 4.751 3.960 1.854 0.000 0.263 2327 G HA3 -0.322 4.751 3.960 1.854 0.000 0.263 2327 G C 1.183 176.132 174.900 0.083 0.000 0.977 2327 G CA 0.793 45.939 45.100 0.077 0.000 0.659 2327 G HN 0.479 nan 8.290 nan 0.000 0.533 2328 T N -0.280 114.294 114.554 0.034 0.000 2.595 2328 T HA -0.158 5.304 4.350 1.854 0.000 0.264 2328 T C 1.930 176.562 174.700 -0.114 0.000 1.058 2328 T CA 2.106 64.156 62.100 -0.083 0.000 1.166 2328 T CB -0.291 68.447 68.868 -0.217 0.000 0.863 2328 T HN 0.487 nan 8.240 nan 0.000 0.415 2329 Y N 1.277 121.652 120.300 0.125 0.000 2.373 2329 Y HA 0.003 5.665 4.550 1.853 0.000 0.293 2329 Y C 2.527 178.495 175.900 0.113 0.000 1.129 2329 Y CA 0.605 58.780 58.100 0.124 0.000 1.226 2329 Y CB -0.280 38.247 38.460 0.112 0.000 1.000 2329 Y HN 0.228 nan 8.280 nan 0.000 0.549 2330 E N -0.769 119.563 120.200 0.221 0.000 2.072 2330 E HA -0.221 5.241 4.350 1.854 0.000 0.191 2330 E C 1.827 178.508 176.600 0.135 0.000 0.985 2330 E CA 1.302 57.798 56.400 0.161 0.000 0.801 2330 E CB -0.613 29.171 29.700 0.140 0.000 0.750 2330 E HN 0.546 nan 8.360 nan 0.000 0.452 2331 Y N 0.849 121.171 120.300 0.037 0.000 2.181 2331 Y HA -0.187 5.476 4.550 1.855 0.000 0.288 2331 Y C 1.798 177.709 175.900 0.019 0.000 1.146 2331 Y CA 1.459 59.570 58.100 0.019 0.000 1.164 2331 Y CB -0.192 38.268 38.460 0.001 0.000 0.982 2331 Y HN -0.014 nan 8.280 nan 0.000 0.515 2332 L N -0.235 121.018 121.223 0.051 0.000 2.017 2332 L HA -0.242 5.211 4.340 1.854 0.000 0.208 2332 L C 2.257 179.102 176.870 -0.042 0.000 1.073 2332 L CA 1.857 56.692 54.840 -0.008 0.000 0.745 2332 L CB -0.677 41.423 42.059 0.068 0.000 0.894 2332 L HN 0.200 nan 8.230 nan 0.000 0.432 2333 D N -0.511 119.903 120.400 0.024 0.000 2.117 2333 D HA -0.250 5.503 4.640 1.854 0.000 0.197 2333 D C 2.187 178.459 176.300 -0.047 0.000 0.987 2333 D CA 1.280 55.294 54.000 0.024 0.000 0.829 2333 D CB 0.056 40.901 40.800 0.076 0.000 0.961 2333 D HN 0.271 nan 8.370 nan 0.000 0.460 2334 Q N 0.153 119.901 119.800 -0.088 0.000 2.002 2334 Q HA -0.170 5.283 4.340 1.854 0.000 0.204 2334 Q C 2.508 178.394 176.000 -0.190 0.000 0.988 2334 Q CA 2.255 57.982 55.803 -0.127 0.000 0.843 2334 Q CB -0.364 28.292 28.738 -0.137 0.000 0.908 2334 Q HN 0.584 nan 8.270 nan 0.000 0.420 2335 I N -1.832 118.547 120.570 -0.318 0.000 2.493 2335 I HA -0.111 5.172 4.170 1.854 0.000 0.254 2335 I C 1.663 177.649 176.117 -0.218 0.000 1.160 2335 I CA 1.483 62.609 61.300 -0.289 0.000 1.445 2335 I CB -0.513 37.252 38.000 -0.391 0.000 1.086 2335 I HN 0.057 nan 8.210 nan 0.000 0.433 2336 T N 1.067 115.506 114.554 -0.191 0.000 2.896 2336 T HA -0.107 5.356 4.350 1.854 0.000 0.263 2336 T C 1.853 176.429 174.700 -0.207 0.000 1.050 2336 T CA 1.497 63.477 62.100 -0.199 0.000 1.140 2336 T CB -0.135 68.674 68.868 -0.098 0.000 0.877 2336 T HN 0.412 nan 8.240 nan 0.000 0.457 2337 K N 1.207 121.526 120.400 -0.134 0.000 2.057 2337 K HA -0.048 5.385 4.320 1.854 0.000 0.206 2337 K C 2.500 179.022 176.600 -0.130 0.000 1.050 2337 K CA 0.998 57.223 56.287 -0.103 0.000 0.935 2337 K CB -0.049 32.419 32.500 -0.053 0.000 0.715 2337 K HN 0.112 nan 8.250 nan 0.000 0.439 2338 R N 0.753 121.170 120.500 -0.138 0.000 2.096 2338 R HA -0.081 5.372 4.340 1.854 0.000 0.235 2338 R C 2.372 178.562 176.300 -0.184 0.000 1.127 2338 R CA 1.168 57.188 56.100 -0.133 0.000 0.968 2338 R CB -0.210 30.018 30.300 -0.120 0.000 0.861 2338 R HN 0.296 nan 8.270 nan 0.000 0.440 2339 L N -0.230 120.836 121.223 -0.263 0.000 2.027 2339 L HA -0.151 5.302 4.340 1.854 0.000 0.206 2339 L C 2.337 178.949 176.870 -0.430 0.000 1.074 2339 L CA 1.789 56.397 54.840 -0.387 0.000 0.745 2339 L CB -0.492 41.226 42.059 -0.568 0.000 0.898 2339 L HN 0.318 nan 8.230 nan 0.000 0.433 2340 S N -0.145 115.312 115.700 -0.405 0.000 2.351 2340 S HA -0.230 5.353 4.470 1.854 0.000 0.220 2340 S C 1.571 176.071 174.600 -0.167 0.000 1.035 2340 S CA 1.861 59.882 58.200 -0.299 0.000 1.031 2340 S CB -0.275 62.813 63.200 -0.186 0.000 0.928 2340 S HN 0.491 nan 8.310 nan 0.000 0.433 2341 D N 0.670 120.999 120.400 -0.119 0.000 2.123 2341 D HA -0.056 5.696 4.640 1.854 0.000 0.196 2341 D C 2.103 178.355 176.300 -0.080 0.000 0.992 2341 D CA 1.341 55.301 54.000 -0.066 0.000 0.833 2341 D CB -1.141 39.628 40.800 -0.051 0.000 0.954 2341 D HN 0.544 nan 8.370 nan 0.000 0.455 2342 G N 0.677 109.403 108.800 -0.123 0.000 2.440 2342 G HA2 -0.236 4.836 3.960 1.854 0.000 0.218 2342 G HA3 -0.236 4.836 3.960 1.854 0.000 0.218 2342 G C 1.616 176.430 174.900 -0.144 0.000 1.154 2342 G CA 0.413 45.440 45.100 -0.122 0.000 0.767 2342 G HN 0.171 nan 8.290 nan 0.000 0.552 2343 L N 0.284 121.364 121.223 -0.239 0.000 2.046 2343 L HA 0.090 5.543 4.340 1.854 0.000 0.208 2343 L C 2.878 179.669 176.870 -0.131 0.000 1.077 2343 L CA 1.120 55.745 54.840 -0.358 0.000 0.747 2343 L CB -0.600 41.024 42.059 -0.725 0.000 0.896 2343 L HN 0.191 nan 8.230 nan 0.000 0.432 2344 L N -1.560 119.670 121.223 0.011 0.000 2.201 2344 L HA -0.137 5.315 4.340 1.854 0.000 0.212 2344 L C 2.535 179.455 176.870 0.083 0.000 1.105 2344 L CA 0.898 55.825 54.840 0.144 0.000 0.775 2344 L CB -0.710 41.420 42.059 0.118 0.000 0.913 2344 L HN 0.256 nan 8.230 nan 0.000 0.440 2345 A N 0.349 123.185 122.820 0.027 0.000 1.897 2345 A HA -0.103 5.330 4.320 1.854 0.000 0.215 2345 A C 2.185 179.791 177.584 0.037 0.000 1.181 2345 A CA 1.148 53.199 52.037 0.023 0.000 0.620 2345 A CB -0.477 18.522 19.000 -0.001 0.000 0.821 2345 A HN 0.324 nan 8.150 nan 0.000 0.443 2346 I N -0.216 120.369 120.570 0.024 0.000 2.394 2346 I HA -0.229 5.054 4.170 1.854 0.000 0.251 2346 I C 2.881 179.064 176.117 0.111 0.000 1.136 2346 I CA 0.898 62.225 61.300 0.044 0.000 1.425 2346 I CB -0.250 37.754 38.000 0.006 0.000 1.079 2346 I HN 0.349 nan 8.210 nan 0.000 0.425 2347 A N 0.100 123.012 122.820 0.154 0.000 1.930 2347 A HA -0.259 5.173 4.320 1.854 0.000 0.217 2347 A C 2.291 179.997 177.584 0.204 0.000 1.175 2347 A CA 1.653 53.846 52.037 0.260 0.000 0.627 2347 A CB -0.561 18.642 19.000 0.338 0.000 0.815 2347 A HN 0.454 nan 8.150 nan 0.000 0.443 2348 Q N -0.530 119.348 119.800 0.130 0.000 2.016 2348 Q HA -0.205 5.247 4.340 1.854 0.000 0.200 2348 Q C 2.091 178.128 176.000 0.061 0.000 0.978 2348 Q CA 1.761 57.613 55.803 0.082 0.000 0.833 2348 Q CB -0.205 28.568 28.738 0.058 0.000 0.895 2348 Q HN 0.768 nan 8.270 nan 0.000 0.427 2349 E N -0.744 119.492 120.200 0.060 0.000 2.160 2349 E HA -0.181 5.282 4.350 1.854 0.000 0.195 2349 E C 1.245 177.874 176.600 0.048 0.000 0.991 2349 E CA 1.644 58.070 56.400 0.044 0.000 0.810 2349 E CB 0.078 29.802 29.700 0.040 0.000 0.742 2349 E HN 0.539 nan 8.360 nan 0.000 0.466 2350 T N -3.647 110.961 114.554 0.090 0.000 3.086 2350 T HA 0.303 5.765 4.350 1.854 0.000 0.250 2350 T C 1.238 175.915 174.700 -0.039 0.000 1.074 2350 T CA 0.318 62.476 62.100 0.095 0.000 0.988 2350 T CB 0.711 69.723 68.868 0.240 0.000 0.988 2350 T HN 0.279 nan 8.240 nan 0.000 0.530 2351 G N 1.253 110.026 108.800 -0.045 0.000 2.137 2351 G HA2 -0.204 4.869 3.960 1.854 0.000 0.237 2351 G HA3 -0.204 4.869 3.960 1.854 0.000 0.237 2351 G C -0.346 174.394 174.900 -0.266 0.000 1.002 2351 G CA -0.150 44.856 45.100 -0.157 0.000 0.702 2351 G HN 0.758 nan 8.290 nan 0.000 0.515 2352 H N 0.155 119.257 119.070 0.054 0.000 2.459 2352 H HA 0.664 6.339 4.556 1.865 0.000 0.332 2352 H C 0.649 176.029 175.328 0.087 0.000 1.094 2352 H CA 0.135 56.222 56.048 0.064 0.000 1.224 2352 H CB 1.683 31.511 29.762 0.109 0.000 1.449 2352 H HN 0.551 nan 8.280 nan 0.000 0.484 2353 A N 2.685 125.604 122.820 0.165 0.000 2.492 2353 A HA 0.586 6.019 4.320 1.854 0.000 0.254 2353 A C -0.056 177.598 177.584 0.117 0.000 1.091 2353 A CA 0.485 52.584 52.037 0.103 0.000 0.768 2353 A CB -0.471 18.564 19.000 0.058 0.000 1.028 2353 A HN 0.830 nan 8.150 nan 0.000 0.498 2354 A N 1.344 124.179 122.820 0.024 0.000 2.610 2354 A HA 0.753 6.186 4.320 1.854 0.000 0.291 2354 A C -0.425 177.083 177.584 -0.128 0.000 1.086 2354 A CA 0.014 51.959 52.037 -0.153 0.000 0.677 2354 A CB 0.636 19.428 19.000 -0.345 0.000 1.278 2354 A HN 2.519 nan 8.150 nan 0.000 0.414 2355 C N -1.147 118.039 119.300 -0.191 0.000 3.318 2355 C HA 1.084 6.657 4.460 1.854 0.000 0.322 2355 C C 0.333 175.357 174.990 0.056 0.000 1.398 2355 C CA 0.188 59.185 59.018 -0.035 0.000 1.339 2355 C CB 1.162 28.886 27.740 -0.026 0.000 1.668 2355 C HN 2.784 nan 8.230 nan 0.000 0.462 2356 G N -0.672 108.226 108.800 0.163 0.000 2.360 2356 G HA2 0.907 5.980 3.960 1.854 0.000 0.276 2356 G HA3 0.907 5.980 3.960 1.854 0.000 0.276 2356 G C -0.455 174.597 174.900 0.253 0.000 1.256 2356 G CA 0.322 45.588 45.100 0.276 0.000 0.890 2356 G HN 2.815 nan 8.290 nan 0.000 0.486 2357 G N -1.571 107.381 108.800 0.253 0.000 2.327 2357 G HA2 0.753 5.826 3.960 1.854 0.000 0.291 2357 G HA3 0.753 5.826 3.960 1.854 0.000 0.291 2357 G C -1.629 173.313 174.900 0.072 0.000 1.290 2357 G CA 1.002 46.234 45.100 0.221 0.000 0.857 2357 G HN 2.015 nan 8.290 nan 0.000 0.520 2358 Q N -2.060 117.802 119.800 0.105 0.000 2.578 2358 Q HA 0.718 6.171 4.340 1.854 0.000 0.284 2358 Q C -1.764 174.337 176.000 0.169 0.000 0.960 2358 Q CA -0.985 54.748 55.803 -0.118 0.000 0.809 2358 Q CB 2.002 30.673 28.738 -0.111 0.000 1.462 2358 Q HN 1.234 nan 8.270 nan 0.000 0.392 2359 V N 1.666 121.704 119.914 0.206 0.000 2.567 2359 V HA 0.702 5.935 4.120 1.854 0.000 0.298 2359 V C 0.228 176.435 176.094 0.187 0.000 1.047 2359 V CA 0.381 62.842 62.300 0.267 0.000 0.880 2359 V CB 0.921 32.975 31.823 0.384 0.000 1.009 2359 V HN 1.091 nan 8.190 nan 0.000 0.429 2360 S N 4.336 120.130 115.700 0.158 0.000 3.762 2360 S HA -0.198 5.384 4.470 1.854 0.000 0.627 2360 S C 1.240 175.919 174.600 0.133 0.000 2.389 2360 S CA 1.451 59.752 58.200 0.169 0.000 3.978 2360 S CB -1.276 62.064 63.200 0.232 0.000 0.234 2360 S HN 2.077 nan 8.310 nan 0.000 0.960 2361 G N 1.140 110.041 108.800 0.168 0.000 3.530 2361 G HA2 0.479 5.552 3.960 1.854 0.000 0.269 2361 G HA3 0.479 5.552 3.960 1.854 0.000 0.269 2361 G C -0.155 174.873 174.900 0.213 0.000 1.314 2361 G CA 0.464 45.657 45.100 0.154 0.000 1.441 2361 G HN 0.672 nan 8.290 nan 0.000 0.595 2362 M N 1.027 120.705 119.600 0.130 0.000 2.267 2362 M HA 0.653 6.246 4.480 1.854 0.000 0.289 2362 M C -1.593 174.433 176.300 -0.457 0.000 1.043 2362 M CA -1.133 54.159 55.300 -0.014 0.000 0.928 2362 M CB 1.715 34.431 32.600 0.194 0.000 1.613 2362 M HN 0.131 nan 8.290 nan 0.000 0.450 2363 F N 2.301 121.803 119.950 -0.747 0.000 2.650 2363 F HA 1.054 6.691 4.527 1.850 0.000 0.320 2363 F C -0.674 174.634 175.800 -0.820 0.000 1.091 2363 F CA -0.764 56.646 58.000 -0.982 0.000 0.962 2363 F CB 1.448 40.132 39.000 -0.527 0.000 1.363 2363 F HN 0.535 nan 8.300 nan 0.000 0.482 2364 G N 0.330 108.883 108.800 -0.410 0.000 2.659 2364 G HA2 0.637 5.710 3.960 1.854 0.000 0.296 2364 G HA3 0.637 5.710 3.960 1.854 0.000 0.296 2364 G C -2.717 172.180 174.900 -0.005 0.000 1.369 2364 G CA -0.846 44.119 45.100 -0.225 0.000 0.937 2364 G HN 0.873 nan 8.290 nan 0.000 0.485 2365 F N 1.187 120.845 119.950 -0.486 0.000 2.689 2365 F HA 0.691 6.316 4.527 1.830 0.000 0.332 2365 F C -1.927 173.500 175.800 -0.621 0.000 1.209 2365 F CA -1.587 56.189 58.000 -0.374 0.000 1.028 2365 F CB 1.245 40.092 39.000 -0.256 0.000 1.291 2365 F HN 0.338 nan 8.300 nan 0.000 0.500 2366 F N 5.546 125.070 119.950 -0.710 0.000 2.508 2366 F HA 0.450 6.092 4.527 1.858 0.000 0.325 2366 F C -0.372 174.976 175.800 -0.753 0.000 1.090 2366 F CA -0.817 56.817 58.000 -0.611 0.000 0.945 2366 F CB 1.387 40.186 39.000 -0.336 0.000 1.156 2366 F HN 0.296 nan 8.300 nan 0.000 0.463 2367 F N 2.019 121.831 119.950 -0.230 0.000 2.626 2367 F HA 0.366 5.965 4.527 1.787 0.000 0.353 2367 F C 0.483 176.219 175.800 -0.106 0.000 1.230 2367 F CA 0.043 57.917 58.000 -0.209 0.000 1.298 2367 F CB 0.194 39.132 39.000 -0.103 0.000 1.670 2367 F HN 0.438 nan 8.300 nan 0.000 0.633 2368 T N 0.056 114.635 114.554 0.042 0.000 2.893 2368 T HA 0.081 5.543 4.350 1.854 0.000 0.337 2368 T C 0.659 175.340 174.700 -0.032 0.000 1.587 2368 T CA -0.625 61.480 62.100 0.007 0.000 1.066 2368 T CB 1.040 69.889 68.868 -0.032 0.000 1.414 2368 T HN 0.592 nan 8.240 nan 0.000 0.488 2369 E N 1.916 122.102 120.200 -0.023 0.000 2.204 2369 E HA 0.316 5.778 4.350 1.854 0.000 0.194 2369 E C 1.412 177.983 176.600 -0.048 0.000 0.989 2369 E CA 0.601 56.986 56.400 -0.026 0.000 0.824 2369 E CB -0.420 29.272 29.700 -0.012 0.000 0.756 2369 E HN 1.181 nan 8.360 nan 0.000 0.477 2370 G N 2.008 110.764 108.800 -0.073 0.000 2.564 2370 G HA2 -0.294 4.779 3.960 1.854 0.000 0.273 2370 G HA3 -0.294 4.779 3.960 1.854 0.000 0.273 2370 G C -2.024 172.850 174.900 -0.043 0.000 1.242 2370 G CA 0.001 45.042 45.100 -0.098 0.000 0.951 2370 G HN 0.375 nan 8.290 nan 0.000 0.564 2371 P HA 0.504 nan 4.420 nan 0.000 0.273 2371 P C -0.334 176.858 177.300 -0.180 0.000 1.250 2371 P CA -0.623 62.407 63.100 -0.117 0.000 0.793 2371 P CB 0.827 32.457 31.700 -0.118 0.000 1.011 2372 V N 1.622 121.329 119.914 -0.346 0.000 2.350 2372 V HA 0.140 5.372 4.120 1.854 0.000 0.276 2372 V C 0.355 176.220 176.094 -0.383 0.000 1.028 2372 V CA 0.115 62.181 62.300 -0.392 0.000 0.860 2372 V CB 0.466 31.837 31.823 -0.753 0.000 0.990 2372 V HN 0.615 nan 8.190 nan 0.000 0.453 2373 H N 2.675 121.658 119.070 -0.145 0.000 2.885 2373 H HA 0.293 5.962 4.556 1.855 0.000 0.260 2373 H C 0.777 176.078 175.328 -0.045 0.000 0.985 2373 H CA 0.201 56.191 56.048 -0.095 0.000 1.210 2373 H CB 0.554 30.257 29.762 -0.099 0.000 1.466 2373 H HN 0.751 nan 8.280 nan 0.000 0.493 2374 N N -1.756 116.977 118.700 0.056 0.000 3.039 2374 N HA -0.078 5.774 4.740 1.854 0.000 0.257 2374 N C 0.003 175.562 175.510 0.082 0.000 1.497 2374 N CA -0.607 52.496 53.050 0.089 0.000 0.861 2374 N CB 1.093 39.647 38.487 0.112 0.000 1.479 2374 N HN -0.097 nan 8.380 nan 0.000 0.547 2375 Y N 0.548 120.841 120.300 -0.011 0.000 2.181 2375 Y HA -0.128 5.529 4.550 1.844 0.000 0.288 2375 Y C 2.432 178.324 175.900 -0.013 0.000 1.146 2375 Y CA 2.316 60.405 58.100 -0.017 0.000 1.164 2375 Y CB -0.278 38.165 38.460 -0.029 0.000 0.982 2375 Y HN 0.819 nan 8.280 nan 0.000 0.515 2376 E N -0.302 119.841 120.200 -0.094 0.000 2.085 2376 E HA -0.240 5.222 4.350 1.854 0.000 0.194 2376 E C 1.662 178.170 176.600 -0.154 0.000 0.994 2376 E CA 1.661 57.953 56.400 -0.182 0.000 0.801 2376 E CB -0.115 29.542 29.700 -0.072 0.000 0.743 2376 E HN 0.508 nan 8.360 nan 0.000 0.453 2377 D N 0.308 120.646 120.400 -0.102 0.000 2.097 2377 D HA -0.158 5.595 4.640 1.854 0.000 0.195 2377 D C 1.906 178.103 176.300 -0.172 0.000 0.989 2377 D CA 1.407 55.334 54.000 -0.122 0.000 0.827 2377 D CB -0.492 40.239 40.800 -0.116 0.000 0.966 2377 D HN 0.305 nan 8.370 nan 0.000 0.456 2378 A N 1.271 123.983 122.820 -0.179 0.000 1.986 2378 A HA -0.235 5.198 4.320 1.854 0.000 0.220 2378 A C 1.952 179.578 177.584 0.068 0.000 1.171 2378 A CA 1.501 53.466 52.037 -0.119 0.000 0.640 2378 A CB -0.512 18.587 19.000 0.165 0.000 0.811 2378 A HN 0.176 nan 8.150 nan 0.000 0.451 2379 K N -0.437 119.948 120.400 -0.025 0.000 2.504 2379 K HA -0.027 5.405 4.320 1.854 0.000 0.195 2379 K C 1.245 177.845 176.600 0.000 0.000 1.036 2379 K CA 0.796 57.087 56.287 0.007 0.000 0.984 2379 K CB -0.033 32.312 32.500 -0.259 0.000 0.788 2379 K HN 0.460 nan 8.250 nan 0.000 0.488 2380 K N 0.618 120.996 120.400 -0.036 0.000 2.459 2380 K HA 0.068 5.500 4.320 1.854 0.000 0.193 2380 K C 0.270 176.868 176.600 -0.004 0.000 1.030 2380 K CA -0.021 56.249 56.287 -0.029 0.000 1.026 2380 K CB 0.381 32.850 32.500 -0.051 0.000 0.809 2380 K HN -0.055 nan 8.250 nan 0.000 0.504 2381 S N 1.902 117.606 115.700 0.007 0.000 2.568 2381 S HA -0.064 5.518 4.470 1.854 0.000 0.282 2381 S C 0.046 174.679 174.600 0.055 0.000 1.338 2381 S CA -0.218 58.002 58.200 0.034 0.000 1.045 2381 S CB 0.541 63.745 63.200 0.007 0.000 0.873 2381 S HN 0.164 nan 8.310 nan 0.000 0.516 2382 D N 2.196 122.653 120.400 0.094 0.000 2.435 2382 D HA 0.106 5.859 4.640 1.854 0.000 0.230 2382 D C 0.739 177.109 176.300 0.117 0.000 1.215 2382 D CA -0.414 53.630 54.000 0.073 0.000 0.947 2382 D CB 0.099 40.914 40.800 0.026 0.000 1.048 2382 D HN 0.188 nan 8.370 nan 0.000 0.512 2383 L N 3.145 124.428 121.223 0.099 0.000 2.131 2383 L HA -0.152 5.300 4.340 1.854 0.000 0.210 2383 L C 2.291 179.262 176.870 0.169 0.000 1.092 2383 L CA 1.520 56.440 54.840 0.134 0.000 0.759 2383 L CB -0.738 41.382 42.059 0.102 0.000 0.903 2383 L HN 0.508 nan 8.230 nan 0.000 0.435 2384 Q N -0.894 118.967 119.800 0.101 0.000 2.119 2384 Q HA -0.224 5.228 4.340 1.854 0.000 0.201 2384 Q C 2.211 178.244 176.000 0.055 0.000 0.972 2384 Q CA 1.299 57.147 55.803 0.076 0.000 0.847 2384 Q CB -0.064 28.699 28.738 0.042 0.000 0.903 2384 Q HN 0.442 nan 8.270 nan 0.000 0.433 2385 K N 0.262 120.663 120.400 0.002 0.000 2.103 2385 K HA -0.148 5.285 4.320 1.854 0.000 0.204 2385 K C 1.834 178.422 176.600 -0.020 0.000 1.052 2385 K CA 0.791 56.984 56.287 -0.156 0.000 0.945 2385 K CB -0.104 32.120 32.500 -0.461 0.000 0.722 2385 K HN 0.090 nan 8.250 nan 0.000 0.443 2386 F N 1.286 121.316 119.950 0.132 0.000 2.134 2386 F HA -0.204 4.287 4.527 -0.059 0.000 0.299 2386 F C 2.474 178.458 175.800 0.306 0.000 1.097 2386 F CA 1.713 59.964 58.000 0.419 0.000 1.264 2386 F CB -0.614 38.553 39.000 0.279 0.000 1.001 2386 F HN 0.028 nan 8.300 nan 0.000 0.479 2387 S N 0.265 116.089 115.700 0.207 0.000 2.359 2387 S HA -0.206 5.377 4.470 1.854 0.000 0.224 2387 S C 2.276 176.900 174.600 0.039 0.000 1.035 2387 S CA 1.479 59.736 58.200 0.094 0.000 1.018 2387 S CB -0.296 62.972 63.200 0.114 0.000 0.876 2387 S HN 0.439 nan 8.310 nan 0.000 0.448 2388 R N -0.710 119.818 120.500 0.047 0.000 2.092 2388 R HA -0.038 5.414 4.340 1.854 0.000 0.231 2388 R C 2.133 178.450 176.300 0.029 0.000 1.119 2388 R CA 1.410 57.528 56.100 0.031 0.000 0.970 2388 R CB -0.673 29.637 30.300 0.017 0.000 0.864 2388 R HN 0.547 nan 8.270 nan 0.000 0.440 2389 F N 1.669 121.558 119.950 -0.102 0.000 2.069 2389 F HA -0.261 5.339 4.527 1.789 0.000 0.298 2389 F C 2.532 178.230 175.800 -0.170 0.000 1.113 2389 F CA 1.761 59.710 58.000 -0.086 0.000 1.214 2389 F CB -0.660 38.403 39.000 0.105 0.000 0.978 2389 F HN 0.087 nan 8.300 nan 0.000 0.474 2390 H N 0.204 118.959 119.070 -0.525 0.000 2.319 2390 H HA -0.191 5.510 4.556 1.908 0.000 0.299 2390 H C 2.421 177.536 175.328 -0.356 0.000 1.092 2390 H CA 2.080 57.759 56.048 -0.616 0.000 1.302 2390 H CB -0.179 29.216 29.762 -0.613 0.000 1.373 2390 H HN 0.165 nan 8.280 nan 0.000 0.497 2391 R N 0.406 120.852 120.500 -0.090 0.000 2.081 2391 R HA -0.045 5.407 4.340 1.854 0.000 0.235 2391 R C 2.756 178.990 176.300 -0.110 0.000 1.131 2391 R CA 1.546 57.629 56.100 -0.028 0.000 0.960 2391 R CB -1.147 29.182 30.300 0.050 0.000 0.856 2391 R HN 0.431 nan 8.270 nan 0.000 0.436 2392 G N -0.003 108.712 108.800 -0.143 0.000 2.418 2392 G HA2 -0.235 4.837 3.960 1.854 0.000 0.217 2392 G HA3 -0.235 4.837 3.960 1.854 0.000 0.217 2392 G C 1.294 176.076 174.900 -0.196 0.000 1.158 2392 G CA 0.931 45.953 45.100 -0.130 0.000 0.771 2392 G HN 0.195 nan 8.290 nan 0.000 0.545 2393 M N -0.249 119.122 119.600 -0.381 0.000 2.175 2393 M HA 0.091 5.684 4.480 1.854 0.000 0.264 2393 M C 2.480 178.655 176.300 -0.208 0.000 1.063 2393 M CA 0.695 55.765 55.300 -0.383 0.000 1.119 2393 M CB -1.028 31.162 32.600 -0.682 0.000 1.377 2393 M HN 0.255 nan 8.290 nan 0.000 0.415 2394 L N 0.844 121.934 121.223 -0.221 0.000 2.046 2394 L HA -0.163 5.289 4.340 1.854 0.000 0.208 2394 L C 2.078 179.024 176.870 0.126 0.000 1.077 2394 L CA 1.893 56.736 54.840 0.005 0.000 0.747 2394 L CB -0.582 41.464 42.059 -0.023 0.000 0.896 2394 L HN 0.324 nan 8.230 nan 0.000 0.432 2395 E N -1.408 118.806 120.200 0.025 0.000 2.268 2395 E HA -0.229 5.234 4.350 1.854 0.000 0.195 2395 E C 1.692 178.278 176.600 -0.022 0.000 0.995 2395 E CA 0.581 56.991 56.400 0.017 0.000 0.836 2395 E CB 0.050 29.750 29.700 -0.001 0.000 0.763 2395 E HN 0.402 nan 8.360 nan 0.000 0.491 2396 Q N -0.608 119.169 119.800 -0.038 0.000 2.360 2396 Q HA 0.105 5.558 4.340 1.854 0.000 0.202 2396 Q C 0.582 176.549 176.000 -0.055 0.000 0.915 2396 Q CA 0.587 56.358 55.803 -0.052 0.000 0.943 2396 Q CB 0.814 29.515 28.738 -0.061 0.000 1.064 2396 Q HN 0.299 nan 8.270 nan 0.000 0.511 2397 G N 0.170 108.948 108.800 -0.037 0.000 2.132 2397 G HA2 -0.171 4.902 3.960 1.854 0.000 0.228 2397 G HA3 -0.171 4.902 3.960 1.854 0.000 0.228 2397 G C -0.283 174.684 174.900 0.112 0.000 1.000 2397 G CA 0.069 45.122 45.100 -0.078 0.000 0.693 2397 G HN 0.211 nan 8.290 nan 0.000 0.515 2398 I N 0.301 120.976 120.570 0.174 0.000 2.389 2398 I HA 0.397 5.680 4.170 1.854 0.000 0.288 2398 I C -0.434 175.804 176.117 0.202 0.000 0.999 2398 I CA -1.874 59.541 61.300 0.191 0.000 1.129 2398 I CB 1.312 39.349 38.000 0.062 0.000 1.288 2398 I HN 0.127 nan 8.210 nan 0.000 0.444 2399 Y N 7.214 127.587 120.300 0.122 0.000 2.385 2399 Y HA 0.586 6.267 4.550 1.885 0.000 0.341 2399 Y C -0.792 175.159 175.900 0.084 0.000 0.965 2399 Y CA -0.293 57.809 58.100 0.002 0.000 1.180 2399 Y CB 0.939 39.366 38.460 -0.055 0.000 1.139 2399 Y HN 0.429 nan 8.280 nan 0.000 0.502 2400 L N 4.693 125.690 121.223 -0.377 0.000 2.319 2400 L HA 0.745 6.197 4.340 1.854 0.000 0.267 2400 L C 0.038 176.748 176.870 -0.267 0.000 1.011 2400 L CA -1.631 53.095 54.840 -0.189 0.000 0.818 2400 L CB 1.588 43.581 42.059 -0.109 0.000 1.316 2400 L HN 0.675 nan 8.230 nan 0.000 0.432 2401 A N 2.371 125.092 122.820 -0.166 0.000 2.546 2401 A HA 0.195 5.627 4.320 1.854 0.000 0.243 2401 A C -1.915 175.628 177.584 -0.069 0.000 1.063 2401 A CA -0.656 51.285 52.037 -0.160 0.000 0.757 2401 A CB -0.551 18.391 19.000 -0.096 0.000 0.991 2401 A HN 0.493 nan 8.150 nan 0.000 0.503 2402 P HA 0.099 nan 4.420 nan 0.000 0.249 2402 P C -0.340 176.773 177.300 -0.312 0.000 1.686 2402 P CA 0.525 63.158 63.100 -0.778 0.000 0.873 2402 P CB -0.239 30.666 31.700 -1.325 0.000 1.828 2403 S N 0.250 115.925 115.700 -0.042 0.000 2.578 2403 S HA 0.160 5.743 4.470 1.854 0.000 0.285 2403 S C 0.561 174.820 174.600 -0.568 0.000 1.126 2403 S CA -0.433 57.684 58.200 -0.139 0.000 0.878 2403 S CB 1.531 64.712 63.200 -0.032 0.000 1.091 2403 S HN -0.011 nan 8.310 nan 0.000 0.450 2404 Q N 2.556 121.671 119.800 -1.141 0.000 2.369 2404 Q HA 0.254 5.706 4.340 1.854 0.000 0.206 2404 Q C 0.086 175.459 176.000 -1.045 0.000 0.963 2404 Q CA 1.714 56.557 55.803 -1.599 0.000 0.894 2404 Q CB -0.220 27.564 28.738 -1.591 0.000 0.965 2404 Q HN 0.740 nan 8.270 nan 0.000 0.475 2405 F N 0.849 120.638 119.950 -0.267 0.000 2.798 2405 F HA 0.376 6.046 4.527 1.905 0.000 0.291 2405 F C -0.057 175.682 175.800 -0.101 0.000 1.174 2405 F CA -0.352 57.586 58.000 -0.104 0.000 1.392 2405 F CB 0.439 39.431 39.000 -0.013 0.000 0.966 2405 F HN -0.148 nan 8.300 nan 0.000 0.509 2406 E N 1.036 121.196 120.200 -0.067 0.000 2.256 2406 E HA 0.551 6.014 4.350 1.854 0.000 0.268 2406 E C -0.427 176.055 176.600 -0.197 0.000 0.877 2406 E CA -0.586 55.809 56.400 -0.008 0.000 0.757 2406 E CB 2.211 32.011 29.700 0.167 0.000 1.183 2406 E HN 0.110 nan 8.360 nan 0.000 0.418 2407 A N 2.076 124.755 122.820 -0.235 0.000 2.406 2407 A HA 0.603 6.035 4.320 1.854 0.000 0.243 2407 A C 0.640 177.636 177.584 -0.980 0.000 1.082 2407 A CA 0.392 52.117 52.037 -0.519 0.000 0.786 2407 A CB 0.374 19.171 19.000 -0.338 0.000 1.029 2407 A HN 0.530 nan 8.150 nan 0.000 0.495 2408 G N -0.947 107.002 108.800 -1.419 0.000 2.462 2408 G HA2 0.618 5.691 3.960 1.854 0.000 0.319 2408 G HA3 0.618 5.691 3.960 1.854 0.000 0.319 2408 G C -0.892 173.146 174.900 -1.436 0.000 1.171 2408 G CA -0.562 43.603 45.100 -1.559 0.000 0.920 2408 G HN 0.496 nan 8.290 nan 0.000 0.499 2409 F N -1.099 118.742 119.950 -0.181 0.000 2.576 2409 F HA 0.570 6.215 4.527 1.863 0.000 0.313 2409 F C 0.504 176.387 175.800 0.140 0.000 1.078 2409 F CA -0.772 57.234 58.000 0.010 0.000 0.921 2409 F CB 2.978 41.967 39.000 -0.018 0.000 1.232 2409 F HN 0.373 nan 8.300 nan 0.000 0.459 2410 T N 0.853 115.562 114.554 0.258 0.000 2.932 2410 T HA 0.662 6.125 4.350 1.854 0.000 0.289 2410 T C -0.818 173.862 174.700 -0.034 0.000 1.039 2410 T CA -0.614 61.443 62.100 -0.071 0.000 1.024 2410 T CB 1.714 70.563 68.868 -0.030 0.000 1.090 2410 T HN 0.727 nan 8.240 nan 0.000 0.496 2411 S N 1.049 116.724 115.700 -0.042 0.000 2.661 2411 S HA 0.518 6.101 4.470 1.854 0.000 0.285 2411 S C 0.821 175.546 174.600 0.208 0.000 1.138 2411 S CA -0.916 57.364 58.200 0.133 0.000 0.855 2411 S CB 0.760 64.053 63.200 0.155 0.000 1.136 2411 S HN 0.553 nan 8.310 nan 0.000 0.484 2412 L N 0.704 122.013 121.223 0.143 0.000 2.456 2412 L HA 0.080 5.532 4.340 1.854 0.000 0.224 2412 L C 2.549 179.482 176.870 0.104 0.000 1.148 2412 L CA 1.184 56.110 54.840 0.143 0.000 0.825 2412 L CB -0.743 41.329 42.059 0.022 0.000 0.937 2412 L HN 0.915 nan 8.230 nan 0.000 0.450 2413 A N -1.798 121.076 122.820 0.090 0.000 2.132 2413 A HA -0.015 5.418 4.320 1.854 0.000 0.213 2413 A C 0.439 177.999 177.584 -0.040 0.000 1.154 2413 A CA 0.034 52.061 52.037 -0.016 0.000 0.753 2413 A CB -0.444 18.493 19.000 -0.105 0.000 0.826 2413 A HN 0.305 nan 8.150 nan 0.000 0.469 2414 H N 1.241 120.297 119.070 -0.023 0.000 2.886 2414 H HA 0.323 5.990 4.556 1.853 0.000 0.329 2414 H C 1.008 176.402 175.328 0.110 0.000 1.044 2414 H CA 1.151 57.182 56.048 -0.029 0.000 1.456 2414 H CB 0.648 30.398 29.762 -0.019 0.000 1.464 2414 H HN 0.374 nan 8.280 nan 0.000 0.573 2415 T N -0.418 114.228 114.554 0.152 0.000 2.936 2415 T HA 0.165 5.627 4.350 1.854 0.000 0.282 2415 T C 1.305 176.094 174.700 0.149 0.000 1.003 2415 T CA -0.928 61.281 62.100 0.182 0.000 1.005 2415 T CB 1.515 70.453 68.868 0.115 0.000 1.097 2415 T HN 0.542 nan 8.240 nan 0.000 0.532 2416 E N 0.260 120.538 120.200 0.130 0.000 2.118 2416 E HA -0.131 5.331 4.350 1.854 0.000 0.195 2416 E C 1.993 178.628 176.600 0.059 0.000 0.992 2416 E CA 1.655 58.096 56.400 0.069 0.000 0.804 2416 E CB -0.204 29.534 29.700 0.063 0.000 0.741 2416 E HN 0.819 nan 8.360 nan 0.000 0.458 2417 E N 0.038 120.279 120.200 0.068 0.000 2.106 2417 E HA -0.166 5.297 4.350 1.854 0.000 0.192 2417 E C 1.576 178.220 176.600 0.072 0.000 0.984 2417 E CA 1.068 57.503 56.400 0.058 0.000 0.806 2417 E CB -0.069 29.664 29.700 0.055 0.000 0.750 2417 E HN 0.321 nan 8.360 nan 0.000 0.458 2418 D N 0.939 121.399 120.400 0.101 0.000 2.117 2418 D HA -0.140 5.612 4.640 1.854 0.000 0.197 2418 D C 1.997 178.387 176.300 0.151 0.000 0.987 2418 D CA 0.782 54.860 54.000 0.129 0.000 0.829 2418 D CB -0.026 40.834 40.800 0.101 0.000 0.961 2418 D HN 0.124 nan 8.370 nan 0.000 0.460 2419 I N 1.752 122.399 120.570 0.128 0.000 2.142 2419 I HA -0.212 5.071 4.170 1.854 0.000 0.240 2419 I C 1.898 178.027 176.117 0.019 0.000 1.078 2419 I CA 1.258 62.604 61.300 0.076 0.000 1.343 2419 I CB -1.041 36.962 38.000 0.006 0.000 1.046 2419 I HN -0.051 nan 8.210 nan 0.000 0.405 2420 D N 1.159 121.569 120.400 0.015 0.000 2.123 2420 D HA -0.141 5.611 4.640 1.854 0.000 0.196 2420 D C 2.236 178.538 176.300 0.003 0.000 0.992 2420 D CA 1.677 55.676 54.000 -0.002 0.000 0.833 2420 D CB -0.085 40.717 40.800 0.003 0.000 0.954 2420 D HN 0.325 nan 8.370 nan 0.000 0.455 2421 A N 0.281 123.116 122.820 0.025 0.000 1.972 2421 A HA -0.145 5.287 4.320 1.854 0.000 0.219 2421 A C 2.324 179.920 177.584 0.021 0.000 1.169 2421 A CA 1.902 53.952 52.037 0.022 0.000 0.635 2421 A CB -0.666 18.354 19.000 0.034 0.000 0.810 2421 A HN 0.225 nan 8.150 nan 0.000 0.446 2422 T N 0.187 114.764 114.554 0.038 0.000 2.857 2422 T HA 0.025 5.488 4.350 1.854 0.000 0.266 2422 T C 1.771 176.436 174.700 -0.058 0.000 1.048 2422 T CA 1.176 63.285 62.100 0.016 0.000 1.139 2422 T CB -0.264 68.628 68.868 0.041 0.000 0.874 2422 T HN 0.372 nan 8.240 nan 0.000 0.455 2423 L N 0.848 122.031 121.223 -0.067 0.000 2.056 2423 L HA 0.001 5.453 4.340 1.854 0.000 0.207 2423 L C 3.089 179.933 176.870 -0.044 0.000 1.078 2423 L CA 1.088 55.879 54.840 -0.081 0.000 0.749 2423 L CB -0.686 41.325 42.059 -0.081 0.000 0.901 2423 L HN 0.231 nan 8.230 nan 0.000 0.433 2424 A N 0.177 122.980 122.820 -0.028 0.000 1.908 2424 A HA -0.196 5.237 4.320 1.854 0.000 0.218 2424 A C 2.502 180.077 177.584 -0.014 0.000 1.181 2424 A CA 1.849 53.877 52.037 -0.016 0.000 0.627 2424 A CB -0.672 18.320 19.000 -0.012 0.000 0.818 2424 A HN 0.410 nan 8.150 nan 0.000 0.445 2425 A N -0.412 122.395 122.820 -0.021 0.000 1.969 2425 A HA 0.252 5.685 4.320 1.854 0.000 0.218 2425 A C 2.433 180.005 177.584 -0.020 0.000 1.169 2425 A CA 1.766 53.786 52.037 -0.027 0.000 0.635 2425 A CB -0.814 18.164 19.000 -0.037 0.000 0.810 2425 A HN 1.011 nan 8.150 nan 0.000 0.445 2426 A N -0.381 122.432 122.820 -0.013 0.000 1.969 2426 A HA -0.097 5.335 4.320 1.854 0.000 0.218 2426 A C 2.217 179.845 177.584 0.073 0.000 1.169 2426 A CA 1.505 53.574 52.037 0.053 0.000 0.635 2426 A CB -0.426 18.578 19.000 0.006 0.000 0.810 2426 A HN 0.537 nan 8.150 nan 0.000 0.445 2427 R N -0.737 119.782 120.500 0.032 0.000 2.066 2427 R HA -0.101 5.351 4.340 1.854 0.000 0.232 2427 R C 2.176 178.506 176.300 0.050 0.000 1.131 2427 R CA 1.952 58.077 56.100 0.041 0.000 0.955 2427 R CB -0.586 29.726 30.300 0.020 0.000 0.851 2427 R HN 0.463 nan 8.270 nan 0.000 0.432 2428 T N 0.569 115.141 114.554 0.030 0.000 2.665 2428 T HA -0.143 5.320 4.350 1.854 0.000 0.268 2428 T C 1.827 176.550 174.700 0.040 0.000 1.035 2428 T CA 1.653 63.768 62.100 0.025 0.000 1.151 2428 T CB -0.213 68.658 68.868 0.006 0.000 0.862 2428 T HN 0.038 nan 8.240 nan 0.000 0.438 2429 V N 1.367 121.310 119.914 0.047 0.000 2.244 2429 V HA -0.145 5.088 4.120 1.854 0.000 0.244 2429 V C 2.512 178.674 176.094 0.114 0.000 1.042 2429 V CA 1.720 64.061 62.300 0.068 0.000 1.006 2429 V CB -0.554 31.302 31.823 0.056 0.000 0.641 2429 V HN 0.472 nan 8.190 nan 0.000 0.446 2430 M N -0.257 119.433 119.600 0.149 0.000 2.279 2430 M HA -0.144 5.448 4.480 1.854 0.000 0.264 2430 M C 2.316 178.716 176.300 0.167 0.000 1.062 2430 M CA 1.398 56.759 55.300 0.102 0.000 1.099 2430 M CB -0.438 32.226 32.600 0.106 0.000 1.394 2430 M HN 0.334 nan 8.290 nan 0.000 0.426 2431 S N 0.574 116.352 115.700 0.130 0.000 2.419 2431 S HA -0.055 5.527 4.470 1.854 0.000 0.233 2431 S C 1.618 176.283 174.600 0.107 0.000 1.016 2431 S CA 1.059 59.329 58.200 0.116 0.000 0.974 2431 S CB -0.240 63.003 63.200 0.071 0.000 0.786 2431 S HN 0.552 nan 8.310 nan 0.000 0.492 2432 A N 0.882 123.756 122.820 0.090 0.000 3.519 2432 A HA 0.575 6.007 4.320 1.854 0.000 0.188 2432 A C 0.697 178.335 177.584 0.091 0.000 1.894 2432 A CA -0.147 51.932 52.037 0.070 0.000 0.929 2432 A CB -0.950 18.078 19.000 0.046 0.000 1.222 2432 A HN 0.327 nan 8.150 nan 0.000 0.426 2433 L N 0.000 121.258 121.223 0.059 0.000 2.949 2433 L HA 0.000 5.453 4.340 1.854 0.000 0.249 2433 L CA 0.000 54.864 54.840 0.040 0.000 0.813 2433 L CB 0.000 42.029 42.059 -0.050 0.000 0.961 2433 L HN 0.000 nan 8.230 nan 0.000 0.502