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 2f5z_1_C DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS GGKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.004 176.000 0.006 0.000 1.003 3 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 3 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 4 P HA 0.268 nan 4.420 nan 0.000 0.272 4 P C 0.058 177.362 177.300 0.007 0.000 1.223 4 P CA -0.085 63.019 63.100 0.008 0.000 0.784 4 P CB 1.057 32.762 31.700 0.008 0.000 0.923 5 I N -1.600 118.974 120.570 0.007 0.000 2.648 5 I HA 0.550 4.720 4.170 -0.000 0.000 0.304 5 I C -0.824 175.297 176.117 0.006 0.000 1.009 5 I CA -1.017 60.286 61.300 0.006 0.000 1.114 5 I CB 2.041 40.044 38.000 0.004 0.000 1.293 5 I HN 0.044 nan 8.210 nan 0.000 0.449 6 D N 3.138 123.542 120.400 0.006 0.000 2.198 6 D HA 0.817 5.457 4.640 -0.000 0.000 0.247 6 D C -0.725 175.578 176.300 0.005 0.000 1.010 6 D CA -0.057 53.947 54.000 0.007 0.000 0.880 6 D CB 2.065 42.870 40.800 0.009 0.000 1.209 6 D HN 0.941 nan 8.370 nan 0.000 0.451 7 A N 1.378 124.201 122.820 0.004 0.000 2.594 7 A HA 0.421 4.740 4.320 -0.000 0.000 0.295 7 A C -0.302 177.281 177.584 -0.002 0.000 1.071 7 A CA -0.626 51.411 52.037 -0.000 0.000 0.685 7 A CB 1.450 20.441 19.000 -0.014 0.000 1.285 7 A HN 0.457 nan 8.150 nan 0.000 0.405 8 D N -0.366 120.036 120.400 0.004 0.000 2.201 8 D HA 0.168 4.808 4.640 -0.000 0.000 0.209 8 D C 0.171 176.386 176.300 -0.142 0.000 0.961 8 D CA 1.638 55.630 54.000 -0.014 0.000 0.861 8 D CB 0.503 41.375 40.800 0.121 0.000 0.997 8 D HN 0.252 nan 8.370 nan 0.000 0.486 9 V N 0.811 120.635 119.914 -0.149 0.000 2.577 9 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 9 V C -0.412 175.614 176.094 -0.114 0.000 1.042 9 V CA -0.587 61.589 62.300 -0.206 0.000 0.872 9 V CB 2.187 33.806 31.823 -0.339 0.000 0.998 9 V HN -0.148 nan 8.190 nan 0.000 0.423 10 T N 4.249 118.754 114.554 -0.083 0.000 2.791 10 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 10 T C -0.305 174.373 174.700 -0.038 0.000 0.999 10 T CA -0.347 61.724 62.100 -0.047 0.000 0.952 10 T CB 1.453 70.310 68.868 -0.019 0.000 0.938 10 T HN 0.344 nan 8.240 nan 0.000 0.444 11 V N 5.437 125.328 119.914 -0.037 0.000 2.407 11 V HA 0.426 4.546 4.120 -0.000 0.000 0.278 11 V C 0.164 176.267 176.094 0.015 0.000 1.037 11 V CA -0.734 61.556 62.300 -0.017 0.000 0.900 11 V CB 1.025 32.836 31.823 -0.021 0.000 0.983 11 V HN 0.795 nan 8.190 nan 0.000 0.459 12 I N 4.845 125.429 120.570 0.023 0.000 2.306 12 I HA 0.705 4.875 4.170 -0.000 0.000 0.288 12 I C 0.675 176.812 176.117 0.033 0.000 1.036 12 I CA -0.032 61.286 61.300 0.029 0.000 1.221 12 I CB 1.001 39.017 38.000 0.027 0.000 1.385 12 I HN 0.877 nan 8.210 nan 0.000 0.472 13 G N 3.761 112.584 108.800 0.039 0.000 2.841 13 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.684 13 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.684 13 G C -0.134 174.811 174.900 0.075 0.000 1.273 13 G CA -0.283 44.841 45.100 0.040 0.000 0.811 13 G HN 0.699 nan 8.290 nan 0.000 0.631 14 S N 0.885 116.627 115.700 0.069 0.000 2.588 14 S HA 0.614 5.084 4.470 -0.000 0.000 0.245 14 S C 1.221 175.892 174.600 0.118 0.000 1.021 14 S CA 0.707 58.974 58.200 0.111 0.000 1.006 14 S CB 0.577 63.785 63.200 0.013 0.000 0.830 14 S HN 1.884 nan 8.310 nan 0.000 0.468 15 G N 2.229 111.088 108.800 0.098 0.000 2.553 15 G HA2 0.442 4.401 3.960 -0.000 0.000 0.278 15 G HA3 0.442 4.401 3.960 -0.000 0.000 0.278 15 G C -1.655 173.342 174.900 0.162 0.000 1.349 15 G CA -1.655 43.507 45.100 0.103 0.000 1.037 15 G HN 0.163 nan 8.290 nan 0.000 0.508 16 P HA -0.149 nan 4.420 nan 0.000 0.216 16 P C 1.981 179.173 177.300 -0.180 0.000 1.154 16 P CA 2.087 65.170 63.100 -0.028 0.000 0.865 16 P CB 0.020 31.718 31.700 -0.005 0.000 0.789 17 G N -0.884 107.861 108.800 -0.091 0.000 2.414 17 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 17 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 17 G C 1.780 176.618 174.900 -0.102 0.000 1.188 17 G CA 0.904 45.937 45.100 -0.113 0.000 0.783 17 G HN 0.359 nan 8.290 nan 0.000 0.537 18 G N 0.444 109.230 108.800 -0.023 0.000 2.434 18 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 18 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 18 G C 1.735 176.700 174.900 0.108 0.000 1.202 18 G CA 1.386 46.506 45.100 0.033 0.000 0.788 18 G HN 0.578 nan 8.290 nan 0.000 0.539 19 Y N 1.113 121.477 120.300 0.106 0.000 2.207 19 Y HA -0.036 4.514 4.550 -0.000 0.000 0.287 19 Y C 2.414 178.428 175.900 0.189 0.000 1.156 19 Y CA 1.358 59.592 58.100 0.224 0.000 1.182 19 Y CB -0.784 37.665 38.460 -0.017 0.000 0.979 19 Y HN 0.028 nan 8.280 nan 0.000 0.521 20 V N 1.207 120.782 119.914 -0.566 0.000 2.379 20 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 20 V C 2.865 178.870 176.094 -0.148 0.000 1.044 20 V CA 1.681 63.717 62.300 -0.441 0.000 1.036 20 V CB -1.405 30.108 31.823 -0.517 0.000 0.664 20 V HN 0.640 nan 8.190 nan 0.000 0.453 21 A N 0.037 122.782 122.820 -0.124 0.000 1.902 21 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 21 A C 2.426 179.983 177.584 -0.044 0.000 1.181 21 A CA 1.991 53.974 52.037 -0.090 0.000 0.623 21 A CB -0.733 18.202 19.000 -0.108 0.000 0.818 21 A HN 0.547 nan 8.150 nan 0.000 0.443 22 A N 0.044 122.860 122.820 -0.006 0.000 1.877 22 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 22 A C 2.137 179.703 177.584 -0.031 0.000 1.186 22 A CA 1.610 53.618 52.037 -0.048 0.000 0.620 22 A CB -0.628 18.309 19.000 -0.105 0.000 0.822 22 A HN 0.494 nan 8.150 nan 0.000 0.443 23 I N -0.871 119.747 120.570 0.080 0.000 2.179 23 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 23 I C 2.542 178.684 176.117 0.041 0.000 1.088 23 I CA 1.862 63.220 61.300 0.095 0.000 1.357 23 I CB -0.175 37.942 38.000 0.195 0.000 1.051 23 I HN 0.264 nan 8.210 nan 0.000 0.409 24 K N 1.486 121.898 120.400 0.021 0.000 2.057 24 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 24 K C 2.050 178.674 176.600 0.041 0.000 1.049 24 K CA 1.595 57.889 56.287 0.011 0.000 0.931 24 K CB -0.372 32.119 32.500 -0.014 0.000 0.714 24 K HN 0.269 nan 8.250 nan 0.000 0.440 25 A N 0.700 123.561 122.820 0.067 0.000 1.865 25 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 25 A C 2.412 180.102 177.584 0.176 0.000 1.191 25 A CA 2.305 54.468 52.037 0.210 0.000 0.623 25 A CB -1.289 17.779 19.000 0.113 0.000 0.826 25 A HN 0.431 nan 8.150 nan 0.000 0.444 26 A N -0.705 122.155 122.820 0.068 0.000 1.908 26 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 26 A C 2.098 179.679 177.584 -0.006 0.000 1.181 26 A CA 1.749 53.801 52.037 0.025 0.000 0.627 26 A CB -0.669 18.321 19.000 -0.016 0.000 0.818 26 A HN 0.685 nan 8.150 nan 0.000 0.445 27 Q N -0.630 119.167 119.800 -0.005 0.000 2.226 27 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 27 Q C 1.611 177.573 176.000 -0.064 0.000 0.975 27 Q CA 0.999 56.786 55.803 -0.025 0.000 0.866 27 Q CB -0.264 28.467 28.738 -0.011 0.000 0.915 27 Q HN 0.673 nan 8.270 nan 0.000 0.440 28 L N -0.948 120.222 121.223 -0.089 0.000 2.599 28 L HA 0.115 4.455 4.340 -0.000 0.000 0.230 28 L C 1.131 177.796 176.870 -0.341 0.000 1.141 28 L CA 0.489 55.208 54.840 -0.202 0.000 0.877 28 L CB 0.113 42.038 42.059 -0.222 0.000 1.009 28 L HN 0.420 nan 8.230 nan 0.000 0.447 29 G N -0.946 107.713 108.800 -0.235 0.000 2.179 29 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 29 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 29 G C 0.045 174.832 174.900 -0.189 0.000 0.990 29 G CA -0.665 44.302 45.100 -0.221 0.000 0.646 29 G HN 0.086 nan 8.290 nan 0.000 0.517 30 F N 1.320 121.245 119.950 -0.042 0.000 2.399 30 F HA 0.490 5.017 4.527 -0.000 0.000 0.342 30 F C 1.007 176.778 175.800 -0.048 0.000 1.106 30 F CA -0.603 57.370 58.000 -0.044 0.000 1.196 30 F CB 1.107 40.073 39.000 -0.056 0.000 1.163 30 F HN 0.036 nan 8.300 nan 0.000 0.547 31 K N 2.397 122.903 120.400 0.177 0.000 2.338 31 K HA 0.237 4.557 4.320 -0.000 0.000 0.290 31 K C -0.829 175.797 176.600 0.043 0.000 1.069 31 K CA 0.011 56.340 56.287 0.070 0.000 0.941 31 K CB 0.104 32.633 32.500 0.049 0.000 1.023 31 K HN 0.703 nan 8.250 nan 0.000 0.477 32 T N 3.000 117.553 114.554 -0.001 0.000 2.823 32 T HA 0.407 4.757 4.350 -0.000 0.000 0.279 32 T C -0.908 173.732 174.700 -0.100 0.000 0.998 32 T CA -0.720 61.347 62.100 -0.056 0.000 0.994 32 T CB 1.693 70.516 68.868 -0.075 0.000 0.960 32 T HN 0.278 nan 8.240 nan 0.000 0.448 33 V N 1.696 121.552 119.914 -0.097 0.000 2.735 33 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 33 V C -0.555 175.483 176.094 -0.094 0.000 1.061 33 V CA -0.843 61.406 62.300 -0.086 0.000 0.913 33 V CB 1.977 33.780 31.823 -0.033 0.000 1.005 33 V HN 1.107 nan 8.190 nan 0.000 0.428 34 C N 6.690 125.939 119.300 -0.084 0.000 2.364 34 C HA 0.701 5.161 4.460 -0.000 0.000 0.324 34 C C -0.473 174.583 174.990 0.110 0.000 1.234 34 C CA -0.495 58.513 59.018 -0.016 0.000 1.417 34 C CB -0.469 27.223 27.740 -0.080 0.000 2.101 34 C HN 0.804 nan 8.230 nan 0.000 0.466 35 I N 4.879 125.507 120.570 0.097 0.000 2.336 35 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 35 I C -0.267 175.915 176.117 0.108 0.000 0.991 35 I CA 0.250 61.623 61.300 0.123 0.000 1.227 35 I CB 1.434 39.480 38.000 0.077 0.000 1.366 35 I HN 0.637 nan 8.210 nan 0.000 0.466 36 E N 5.734 126.023 120.200 0.148 0.000 2.275 36 E HA 0.258 4.608 4.350 -0.000 0.000 0.270 36 E C 0.033 176.686 176.600 0.088 0.000 0.882 36 E CA -0.816 55.637 56.400 0.087 0.000 0.758 36 E CB 1.475 31.211 29.700 0.060 0.000 1.195 36 E HN 0.555 nan 8.360 nan 0.000 0.419 37 K N 2.597 123.002 120.400 0.008 0.000 2.243 37 K HA 0.148 4.468 4.320 -0.000 0.000 0.201 37 K C 0.130 176.757 176.600 0.045 0.000 1.051 37 K CA 0.186 56.486 56.287 0.022 0.000 0.970 37 K CB -0.001 32.457 32.500 -0.070 0.000 0.755 37 K HN 0.214 nan 8.250 nan 0.000 0.465 38 N N 2.344 121.056 118.700 0.020 0.000 2.483 38 N HA -0.057 4.683 4.740 -0.000 0.000 0.269 38 N C 0.926 176.462 175.510 0.043 0.000 1.209 38 N CA -0.110 52.951 53.050 0.018 0.000 0.969 38 N CB 1.007 39.484 38.487 -0.017 0.000 1.173 38 N HN 0.253 nan 8.380 nan 0.000 0.475 39 E N -0.590 119.630 120.200 0.034 0.000 2.265 39 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 39 E C 0.008 176.634 176.600 0.044 0.000 0.996 39 E CA 0.961 57.388 56.400 0.044 0.000 0.832 39 E CB -0.437 29.278 29.700 0.026 0.000 0.756 39 E HN 0.629 nan 8.360 nan 0.000 0.491 40 T N -1.630 112.928 114.554 0.007 0.000 2.916 40 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 40 T C 0.370 175.021 174.700 -0.082 0.000 1.055 40 T CA -1.015 61.066 62.100 -0.032 0.000 1.009 40 T CB 1.719 70.556 68.868 -0.053 0.000 1.118 40 T HN 0.025 nan 8.240 nan 0.000 0.497 41 L N 0.884 122.005 121.223 -0.169 0.000 2.479 41 L HA 0.614 4.954 4.340 -0.000 0.000 0.249 41 L C 1.821 178.554 176.870 -0.228 0.000 1.178 41 L CA 0.138 54.822 54.840 -0.259 0.000 0.811 41 L CB 0.116 41.884 42.059 -0.485 0.000 1.187 41 L HN 1.170 nan 8.230 nan 0.000 0.480 42 G N -0.938 107.732 108.800 -0.216 0.000 2.238 42 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.217 42 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.217 42 G C 0.638 175.521 174.900 -0.029 0.000 0.996 42 G CA -0.100 44.913 45.100 -0.146 0.000 0.632 42 G HN 1.474 nan 8.290 nan 0.000 0.503 43 G N -0.940 107.837 108.800 -0.037 0.000 2.601 43 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.252 43 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.252 43 G C 0.966 175.848 174.900 -0.030 0.000 1.294 43 G CA 1.213 46.300 45.100 -0.022 0.000 0.912 43 G HN 1.306 nan 8.290 nan 0.000 0.574 44 T N -0.425 114.115 114.554 -0.024 0.000 2.708 44 T HA -0.179 4.170 4.350 -0.000 0.000 0.266 44 T C 2.465 177.156 174.700 -0.014 0.000 1.037 44 T CA 2.475 64.560 62.100 -0.025 0.000 1.146 44 T CB -0.700 68.156 68.868 -0.019 0.000 0.865 44 T HN 0.971 nan 8.240 nan 0.000 0.435 45 c N 1.237 119.837 118.600 -0.001 0.000 2.367 45 c HA -0.100 4.470 4.570 -0.000 0.000 0.276 45 c C 2.573 176.653 174.090 -0.016 0.000 1.195 45 c CA 1.025 57.354 56.329 0.001 0.000 1.756 45 c CB -1.323 41.200 42.510 0.023 0.000 2.046 45 c HN 0.484 nan 8.230 nan 0.000 0.453 46 L N 1.657 122.868 121.223 -0.020 0.000 2.072 46 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 46 L C 2.180 179.022 176.870 -0.048 0.000 1.079 46 L CA 2.029 56.842 54.840 -0.044 0.000 0.752 46 L CB -1.214 40.800 42.059 -0.074 0.000 0.906 46 L HN 0.448 nan 8.230 nan 0.000 0.436 47 N N -0.744 117.929 118.700 -0.045 0.000 2.333 47 N HA -0.001 4.739 4.740 -0.000 0.000 0.178 47 N C 1.065 176.557 175.510 -0.029 0.000 1.018 47 N CA 1.623 54.648 53.050 -0.041 0.000 0.882 47 N CB 0.652 39.111 38.487 -0.045 0.000 0.984 47 N HN 0.429 nan 8.380 nan 0.000 0.434 48 V N -4.259 115.641 119.914 -0.024 0.000 3.399 48 V HA 0.583 4.703 4.120 -0.000 0.000 0.357 48 V C 0.539 176.631 176.094 -0.004 0.000 1.480 48 V CA -0.151 62.142 62.300 -0.012 0.000 1.263 48 V CB 0.520 32.334 31.823 -0.015 0.000 1.103 48 V HN 0.103 nan 8.190 nan 0.000 0.533 49 G N -0.098 108.696 108.800 -0.009 0.000 3.244 49 G HA2 0.218 4.178 3.960 -0.000 0.000 0.197 49 G HA3 0.218 4.178 3.960 -0.000 0.000 0.197 49 G C 1.028 175.918 174.900 -0.016 0.000 1.531 49 G CA 0.704 45.803 45.100 -0.002 0.000 0.747 49 G HN 0.241 nan 8.290 nan 0.000 0.763 50 c N 1.039 119.624 118.600 -0.025 0.000 2.318 50 c HA -0.143 4.427 4.570 -0.000 0.000 0.272 50 c C 2.811 176.835 174.090 -0.110 0.000 1.156 50 c CA 0.828 57.115 56.329 -0.070 0.000 1.783 50 c CB -1.328 41.144 42.510 -0.064 0.000 2.023 50 c HN 0.427 nan 8.230 nan 0.000 0.437 51 I N 2.341 122.861 120.570 -0.083 0.000 2.099 51 I HA -0.128 4.042 4.170 -0.000 0.000 0.239 51 I C 0.152 176.224 176.117 -0.075 0.000 1.066 51 I CA 1.894 63.143 61.300 -0.085 0.000 1.324 51 I CB -2.955 35.007 38.000 -0.063 0.000 1.037 51 I HN 0.295 nan 8.210 nan 0.000 0.401 52 P HA -0.081 nan 4.420 nan 0.000 0.219 52 P C 1.847 179.120 177.300 -0.046 0.000 1.150 52 P CA 1.841 64.917 63.100 -0.040 0.000 0.814 52 P CB -0.095 31.593 31.700 -0.021 0.000 0.787 53 S N 0.086 115.760 115.700 -0.044 0.000 2.368 53 S HA -0.107 4.362 4.470 -0.000 0.000 0.224 53 S C 2.047 176.603 174.600 -0.074 0.000 1.029 53 S CA 1.032 59.209 58.200 -0.039 0.000 0.988 53 S CB -0.855 62.341 63.200 -0.007 0.000 0.838 53 S HN -0.016 nan 8.310 nan 0.000 0.462 54 K N 2.046 122.371 120.400 -0.126 0.000 2.097 54 K HA 0.277 4.597 4.320 -0.000 0.000 0.205 54 K C 2.350 178.889 176.600 -0.101 0.000 1.050 54 K CA 1.149 57.335 56.287 -0.168 0.000 0.938 54 K CB -0.893 31.421 32.500 -0.310 0.000 0.718 54 K HN 0.486 nan 8.250 nan 0.000 0.442 55 A N 0.573 123.344 122.820 -0.082 0.000 1.877 55 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 55 A C 2.070 179.618 177.584 -0.059 0.000 1.186 55 A CA 1.330 53.335 52.037 -0.053 0.000 0.620 55 A CB -0.650 18.324 19.000 -0.043 0.000 0.822 55 A HN 0.205 nan 8.150 nan 0.000 0.443 56 L N -0.807 120.364 121.223 -0.087 0.000 2.141 56 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 56 L C 2.533 179.319 176.870 -0.139 0.000 1.094 56 L CA 0.754 55.510 54.840 -0.140 0.000 0.763 56 L CB -0.526 41.413 42.059 -0.199 0.000 0.908 56 L HN 0.374 nan 8.230 nan 0.000 0.437 57 L N -0.168 120.998 121.223 -0.096 0.000 2.046 57 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 57 L C 2.375 179.213 176.870 -0.053 0.000 1.077 57 L CA 1.368 56.173 54.840 -0.058 0.000 0.747 57 L CB -0.496 41.561 42.059 -0.005 0.000 0.896 57 L HN 0.336 nan 8.230 nan 0.000 0.432 58 N N 0.086 118.747 118.700 -0.065 0.000 2.106 58 N HA -0.178 4.561 4.740 -0.000 0.000 0.188 58 N C 1.605 177.050 175.510 -0.109 0.000 1.029 58 N CA 1.476 54.459 53.050 -0.113 0.000 0.848 58 N CB -0.048 38.415 38.487 -0.040 0.000 1.007 58 N HN 0.186 nan 8.380 nan 0.000 0.423 59 N N -0.303 118.396 118.700 -0.001 0.000 2.216 59 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 59 N C 1.748 177.287 175.510 0.049 0.000 1.017 59 N CA 1.370 54.467 53.050 0.079 0.000 0.861 59 N CB -0.648 37.856 38.487 0.029 0.000 0.986 59 N HN 0.440 nan 8.380 nan 0.000 0.428 60 S N 0.028 115.706 115.700 -0.037 0.000 2.402 60 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 60 S C 1.917 176.569 174.600 0.086 0.000 1.021 60 S CA 1.078 59.263 58.200 -0.025 0.000 0.974 60 S CB -0.555 62.551 63.200 -0.157 0.000 0.800 60 S HN 0.450 nan 8.310 nan 0.000 0.484 61 H N 0.882 119.901 119.070 -0.084 0.000 2.321 61 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 61 H C 1.683 176.968 175.328 -0.073 0.000 1.087 61 H CA 1.998 57.975 56.048 -0.118 0.000 1.319 61 H CB -0.774 28.810 29.762 -0.297 0.000 1.379 61 H HN 0.438 nan 8.280 nan 0.000 0.501 62 Y N -0.741 119.450 120.300 -0.182 0.000 2.181 62 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 62 Y C 2.551 178.283 175.900 -0.279 0.000 1.146 62 Y CA 1.391 59.318 58.100 -0.288 0.000 1.164 62 Y CB -1.340 37.051 38.460 -0.114 0.000 0.982 62 Y HN 0.347 nan 8.280 nan 0.000 0.515 63 Y N 0.049 120.324 120.300 -0.042 0.000 2.165 63 Y HA -0.335 4.215 4.550 -0.000 0.000 0.286 63 Y C 2.812 178.660 175.900 -0.087 0.000 1.155 63 Y CA 2.267 60.320 58.100 -0.078 0.000 1.164 63 Y CB -0.742 37.681 38.460 -0.062 0.000 0.978 63 Y HN 0.258 nan 8.280 nan 0.000 0.513 64 H N -0.285 118.707 119.070 -0.131 0.000 2.353 64 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 64 H C 2.057 177.218 175.328 -0.278 0.000 1.090 64 H CA 2.466 58.414 56.048 -0.166 0.000 1.327 64 H CB -0.334 29.412 29.762 -0.026 0.000 1.383 64 H HN 0.407 nan 8.280 nan 0.000 0.508 65 M N -0.626 118.671 119.600 -0.505 0.000 2.117 65 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 65 M C 2.571 178.352 176.300 -0.864 0.000 1.065 65 M CA 1.663 56.593 55.300 -0.617 0.000 1.114 65 M CB -0.138 32.130 32.600 -0.553 0.000 1.361 65 M HN 0.472 nan 8.290 nan 0.000 0.408 66 A N -1.200 120.998 122.820 -1.037 0.000 1.930 66 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 66 A C 2.024 179.306 177.584 -0.504 0.000 1.176 66 A CA 1.254 52.739 52.037 -0.920 0.000 0.632 66 A CB -0.912 17.651 19.000 -0.728 0.000 0.819 66 A HN 0.524 nan 8.150 nan 0.000 0.445 67 H N 0.022 118.694 119.070 -0.662 0.000 2.372 67 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 67 H C 1.562 176.674 175.328 -0.360 0.000 1.065 67 H CA 1.298 57.013 56.048 -0.555 0.000 1.364 67 H CB -0.260 28.963 29.762 -0.898 0.000 1.406 67 H HN 0.417 nan 8.280 nan 0.000 0.521 68 G N -0.510 108.096 108.800 -0.322 0.000 2.580 68 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.225 68 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.225 68 G C 1.260 176.029 174.900 -0.219 0.000 1.521 68 G CA 0.834 45.770 45.100 -0.272 0.000 1.068 68 G HN 0.451 nan 8.290 nan 0.000 0.564 69 T N -2.946 111.516 114.554 -0.153 0.000 3.057 69 T HA 0.024 4.374 4.350 -0.000 0.000 0.254 69 T C 1.602 176.285 174.700 -0.028 0.000 1.094 69 T CA 1.286 63.343 62.100 -0.072 0.000 1.088 69 T CB 0.032 68.883 68.868 -0.027 0.000 0.934 69 T HN 0.436 nan 8.240 nan 0.000 0.497 70 D N 0.653 121.027 120.400 -0.043 0.000 2.103 70 D HA -0.164 4.475 4.640 -0.000 0.000 0.190 70 D C 1.538 177.962 176.300 0.206 0.000 0.997 70 D CA 1.281 55.322 54.000 0.068 0.000 0.833 70 D CB -0.172 40.666 40.800 0.063 0.000 0.961 70 D HN 0.326 nan 8.370 nan 0.000 0.447 71 F N 1.368 121.255 119.950 -0.105 0.000 2.134 71 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 71 F C 2.638 178.396 175.800 -0.070 0.000 1.097 71 F CA 0.777 58.726 58.000 -0.085 0.000 1.264 71 F CB -1.230 37.710 39.000 -0.100 0.000 1.001 71 F HN -0.002 nan 8.300 nan 0.000 0.479 72 A N -0.065 122.822 122.820 0.112 0.000 1.917 72 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 72 A C 2.365 179.957 177.584 0.014 0.000 1.182 72 A CA 2.312 54.369 52.037 0.033 0.000 0.633 72 A CB -1.276 17.724 19.000 0.001 0.000 0.819 72 A HN 0.415 nan 8.150 nan 0.000 0.448 73 S N -0.670 115.044 115.700 0.023 0.000 2.507 73 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 73 S C 1.549 176.146 174.600 -0.006 0.000 0.988 73 S CA 1.073 59.280 58.200 0.012 0.000 0.944 73 S CB -0.309 62.906 63.200 0.025 0.000 0.762 73 S HN 0.629 nan 8.310 nan 0.000 0.526 74 R N 0.238 120.720 120.500 -0.030 0.000 2.362 74 R HA 0.334 4.674 4.340 -0.000 0.000 0.227 74 R C 1.286 177.531 176.300 -0.090 0.000 0.905 74 R CA 0.345 56.398 56.100 -0.079 0.000 1.067 74 R CB 0.213 30.416 30.300 -0.163 0.000 1.078 74 R HN 0.507 nan 8.270 nan 0.000 0.516 75 G N 1.692 110.456 108.800 -0.060 0.000 2.137 75 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 75 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 75 G C 0.028 174.887 174.900 -0.068 0.000 1.002 75 G CA -0.232 44.836 45.100 -0.054 0.000 0.702 75 G HN 0.253 nan 8.290 nan 0.000 0.515 76 I N 1.090 121.611 120.570 -0.082 0.000 2.337 76 I HA 0.403 4.573 4.170 -0.000 0.000 0.285 76 I C 0.140 176.262 176.117 0.009 0.000 1.041 76 I CA -0.387 60.868 61.300 -0.075 0.000 1.199 76 I CB 1.166 39.043 38.000 -0.204 0.000 1.370 76 I HN 0.091 nan 8.210 nan 0.000 0.470 77 E N 7.584 127.785 120.200 0.000 0.000 2.179 77 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 77 E C -0.732 175.873 176.600 0.008 0.000 0.945 77 E CA -0.735 55.669 56.400 0.007 0.000 0.792 77 E CB 1.633 31.329 29.700 -0.007 0.000 1.125 77 E HN 0.413 nan 8.360 nan 0.000 0.397 78 M N 0.697 120.299 119.600 0.003 0.000 2.327 78 M HA 0.418 4.898 4.480 -0.000 0.000 0.298 78 M C 0.190 176.478 176.300 -0.020 0.000 1.065 78 M CA -0.772 54.526 55.300 -0.003 0.000 0.916 78 M CB 1.709 34.311 32.600 0.003 0.000 1.630 78 M HN 0.248 nan 8.290 nan 0.000 0.442 79 S N 1.862 117.554 115.700 -0.014 0.000 2.359 79 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 79 S C 0.444 175.029 174.600 -0.025 0.000 1.038 79 S CA 1.934 60.124 58.200 -0.017 0.000 1.051 79 S CB -0.313 62.882 63.200 -0.008 0.000 0.944 79 S HN 0.865 nan 8.310 nan 0.000 0.433 80 E N -0.360 119.829 120.200 -0.017 0.000 2.321 80 E HA 0.585 4.935 4.350 -0.000 0.000 0.278 80 E C -1.832 174.767 176.600 -0.000 0.000 0.902 80 E CA -0.834 55.557 56.400 -0.016 0.000 0.758 80 E CB 1.807 31.511 29.700 0.006 0.000 1.213 80 E HN -0.079 nan 8.360 nan 0.000 0.426 81 V N 2.854 122.767 119.914 -0.002 0.000 2.347 81 V HA 0.469 4.589 4.120 -0.000 0.000 0.280 81 V C -0.067 176.139 176.094 0.185 0.000 1.021 81 V CA -0.561 61.767 62.300 0.047 0.000 0.847 81 V CB 1.102 32.892 31.823 -0.054 0.000 0.990 81 V HN 0.666 nan 8.190 nan 0.000 0.444 82 R N 4.083 124.691 120.500 0.180 0.000 2.670 82 R HA 0.675 5.014 4.340 -0.000 0.000 0.289 82 R C -1.353 175.081 176.300 0.223 0.000 0.965 82 R CA -0.859 55.358 56.100 0.195 0.000 0.899 82 R CB 1.760 32.123 30.300 0.105 0.000 1.173 82 R HN 0.590 nan 8.270 nan 0.000 0.456 83 L N 3.656 124.975 121.223 0.161 0.000 2.292 83 L HA 0.386 4.726 4.340 -0.000 0.000 0.284 83 L C -0.941 175.914 176.870 -0.025 0.000 1.065 83 L CA -0.029 54.800 54.840 -0.018 0.000 0.806 83 L CB 1.218 43.082 42.059 -0.325 0.000 1.175 83 L HN 0.631 nan 8.230 nan 0.000 0.431 84 N N 4.678 123.362 118.700 -0.027 0.000 2.800 84 N HA 0.062 4.802 4.740 -0.000 0.000 0.240 84 N C 0.579 176.068 175.510 -0.036 0.000 1.096 84 N CA -0.402 52.638 53.050 -0.016 0.000 0.877 84 N CB 0.686 39.175 38.487 0.003 0.000 1.138 84 N HN 0.774 nan 8.380 nan 0.000 0.509 85 L N 2.917 124.115 121.223 -0.042 0.000 2.079 85 L HA -0.073 4.266 4.340 -0.000 0.000 0.210 85 L C 1.149 178.015 176.870 -0.006 0.000 1.081 85 L CA 1.921 56.742 54.840 -0.031 0.000 0.752 85 L CB -0.224 41.843 42.059 0.015 0.000 0.896 85 L HN 0.393 nan 8.230 nan 0.000 0.433 86 D N -0.624 119.776 120.400 -0.000 0.000 2.144 86 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 86 D C 2.122 178.421 176.300 -0.001 0.000 0.984 86 D CA 1.008 55.010 54.000 0.004 0.000 0.834 86 D CB -0.050 40.752 40.800 0.003 0.000 0.955 86 D HN 0.170 nan 8.370 nan 0.000 0.465 87 K N 0.510 120.907 120.400 -0.005 0.000 2.103 87 K HA 0.033 4.353 4.320 -0.000 0.000 0.204 87 K C 1.948 178.543 176.600 -0.009 0.000 1.052 87 K CA 0.606 56.891 56.287 -0.004 0.000 0.945 87 K CB -0.363 32.136 32.500 -0.001 0.000 0.722 87 K HN 0.123 nan 8.250 nan 0.000 0.443 88 M N -0.659 118.929 119.600 -0.020 0.000 2.132 88 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 88 M C 1.539 177.822 176.300 -0.028 0.000 1.065 88 M CA 1.341 56.621 55.300 -0.032 0.000 1.122 88 M CB 0.013 32.569 32.600 -0.073 0.000 1.365 88 M HN 0.093 nan 8.290 nan 0.000 0.411 89 M N -0.116 119.474 119.600 -0.017 0.000 2.159 89 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 89 M C 1.947 178.245 176.300 -0.004 0.000 1.063 89 M CA 1.650 56.948 55.300 -0.003 0.000 1.110 89 M CB -1.363 31.250 32.600 0.020 0.000 1.374 89 M HN 0.437 nan 8.290 nan 0.000 0.411 90 E N -0.068 120.129 120.200 -0.005 0.000 2.077 90 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 90 E C 2.093 178.689 176.600 -0.008 0.000 0.989 90 E CA 1.086 57.483 56.400 -0.005 0.000 0.800 90 E CB 0.002 29.700 29.700 -0.004 0.000 0.746 90 E HN 0.374 nan 8.360 nan 0.000 0.452 91 Q N 1.337 121.133 119.800 -0.007 0.000 2.084 91 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 91 Q C 2.077 178.071 176.000 -0.010 0.000 0.978 91 Q CA 1.678 57.478 55.803 -0.005 0.000 0.844 91 Q CB -0.188 28.551 28.738 0.003 0.000 0.898 91 Q HN 0.219 nan 8.270 nan 0.000 0.426 92 K N -0.272 120.119 120.400 -0.014 0.000 2.026 92 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 92 K C 2.154 178.742 176.600 -0.020 0.000 1.048 92 K CA 1.652 57.926 56.287 -0.020 0.000 0.929 92 K CB -0.036 32.450 32.500 -0.023 0.000 0.713 92 K HN 0.080 nan 8.250 nan 0.000 0.439 93 S N 0.343 116.034 115.700 -0.015 0.000 2.368 93 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 93 S C 1.904 176.491 174.600 -0.021 0.000 1.030 93 S CA 1.848 60.039 58.200 -0.016 0.000 0.999 93 S CB -0.412 62.781 63.200 -0.011 0.000 0.844 93 S HN 0.468 nan 8.310 nan 0.000 0.459 94 T N 2.293 116.836 114.554 -0.018 0.000 2.759 94 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 94 T C 2.088 176.773 174.700 -0.026 0.000 1.042 94 T CA 1.260 63.348 62.100 -0.020 0.000 1.140 94 T CB -0.457 68.402 68.868 -0.016 0.000 0.864 94 T HN 0.471 nan 8.240 nan 0.000 0.455 95 A N 0.840 123.645 122.820 -0.025 0.000 1.898 95 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 95 A C 2.584 180.144 177.584 -0.041 0.000 1.181 95 A CA 1.193 53.211 52.037 -0.031 0.000 0.620 95 A CB -0.941 18.042 19.000 -0.028 0.000 0.819 95 A HN 0.348 nan 8.150 nan 0.000 0.442 96 V N 0.364 120.254 119.914 -0.041 0.000 2.255 96 V HA -0.292 3.827 4.120 -0.000 0.000 0.247 96 V C 2.560 178.621 176.094 -0.056 0.000 1.051 96 V CA 2.442 64.713 62.300 -0.049 0.000 1.018 96 V CB -0.658 31.140 31.823 -0.041 0.000 0.641 96 V HN 0.653 nan 8.190 nan 0.000 0.445 97 K N 0.009 120.381 120.400 -0.046 0.000 2.032 97 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 97 K C 2.218 178.786 176.600 -0.055 0.000 1.048 97 K CA 1.634 57.893 56.287 -0.047 0.000 0.927 97 K CB -0.346 32.133 32.500 -0.034 0.000 0.712 97 K HN 0.433 nan 8.250 nan 0.000 0.441 98 A N 1.135 123.925 122.820 -0.050 0.000 1.902 98 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 98 A C 2.095 179.637 177.584 -0.070 0.000 1.181 98 A CA 1.303 53.307 52.037 -0.054 0.000 0.623 98 A CB -0.503 18.470 19.000 -0.045 0.000 0.818 98 A HN 0.314 nan 8.150 nan 0.000 0.443 99 L N -0.205 120.972 121.223 -0.077 0.000 2.179 99 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 99 L C 2.973 179.752 176.870 -0.152 0.000 1.096 99 L CA 1.575 56.353 54.840 -0.103 0.000 0.779 99 L CB -0.706 41.297 42.059 -0.093 0.000 0.922 99 L HN 0.649 nan 8.230 nan 0.000 0.443 100 T N -3.206 111.265 114.554 -0.138 0.000 2.777 100 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 100 T C 1.968 176.570 174.700 -0.163 0.000 1.040 100 T CA 1.033 63.030 62.100 -0.171 0.000 1.141 100 T CB -0.917 67.877 68.868 -0.123 0.000 0.868 100 T HN 0.355 nan 8.240 nan 0.000 0.444 101 G N 1.151 109.887 108.800 -0.106 0.000 2.432 101 G HA2 0.102 4.061 3.960 -0.000 0.000 0.219 101 G HA3 0.102 4.061 3.960 -0.000 0.000 0.219 101 G C 1.704 176.563 174.900 -0.069 0.000 1.135 101 G CA 0.622 45.678 45.100 -0.073 0.000 0.767 101 G HN 0.662 nan 8.290 nan 0.000 0.550 102 G N 1.089 109.833 108.800 -0.093 0.000 2.418 102 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 102 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 102 G C 1.744 176.575 174.900 -0.116 0.000 1.158 102 G CA 0.785 45.845 45.100 -0.066 0.000 0.771 102 G HN 0.450 nan 8.290 nan 0.000 0.545 103 I N 1.281 121.677 120.570 -0.290 0.000 2.252 103 I HA -0.142 4.027 4.170 -0.000 0.000 0.245 103 I C 3.296 179.131 176.117 -0.470 0.000 1.102 103 I CA 0.853 61.841 61.300 -0.521 0.000 1.385 103 I CB -0.267 37.220 38.000 -0.855 0.000 1.064 103 I HN 0.244 nan 8.210 nan 0.000 0.414 104 A N 0.378 123.012 122.820 -0.309 0.000 1.908 104 A HA -0.323 3.997 4.320 -0.000 0.000 0.218 104 A C 2.200 179.783 177.584 -0.002 0.000 1.181 104 A CA 2.255 54.205 52.037 -0.146 0.000 0.627 104 A CB -1.027 17.953 19.000 -0.034 0.000 0.818 104 A HN 0.522 nan 8.150 nan 0.000 0.445 105 H N -0.125 118.910 119.070 -0.058 0.000 2.352 105 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 105 H C 1.724 177.073 175.328 0.034 0.000 1.097 105 H CA 2.014 58.059 56.048 -0.005 0.000 1.311 105 H CB -0.302 29.447 29.762 -0.022 0.000 1.377 105 H HN 0.371 nan 8.280 nan 0.000 0.504 106 L N -0.971 120.217 121.223 -0.059 0.000 2.083 106 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 106 L C 2.118 179.070 176.870 0.137 0.000 1.083 106 L CA 0.634 55.467 54.840 -0.011 0.000 0.752 106 L CB -0.434 41.661 42.059 0.060 0.000 0.899 106 L HN 0.257 nan 8.230 nan 0.000 0.433 107 F N 0.793 120.703 119.950 -0.066 0.000 2.075 107 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 107 F C 2.627 178.395 175.800 -0.053 0.000 1.113 107 F CA 1.512 59.492 58.000 -0.034 0.000 1.218 107 F CB -0.827 38.160 39.000 -0.020 0.000 0.984 107 F HN -0.006 nan 8.300 nan 0.000 0.472 108 K N 0.500 120.973 120.400 0.122 0.000 2.032 108 K HA -0.254 4.065 4.320 -0.000 0.000 0.209 108 K C 2.168 178.733 176.600 -0.058 0.000 1.048 108 K CA 1.774 58.069 56.287 0.014 0.000 0.927 108 K CB -0.485 32.005 32.500 -0.016 0.000 0.712 108 K HN 0.273 nan 8.250 nan 0.000 0.441 109 Q N -0.038 119.662 119.800 -0.166 0.000 2.096 109 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 109 Q C 0.944 176.913 176.000 -0.051 0.000 0.982 109 Q CA 1.693 57.403 55.803 -0.155 0.000 0.850 109 Q CB 0.010 28.600 28.738 -0.246 0.000 0.901 109 Q HN 0.394 nan 8.270 nan 0.000 0.422 110 N N -0.232 118.460 118.700 -0.013 0.000 2.270 110 N HA 0.005 4.745 4.740 -0.000 0.000 0.198 110 N C -0.542 174.958 175.510 -0.017 0.000 1.117 110 N CA 0.207 53.257 53.050 0.000 0.000 0.845 110 N CB 0.738 39.245 38.487 0.033 0.000 0.980 110 N HN 0.114 nan 8.380 nan 0.000 0.486 111 K N -0.236 120.152 120.400 -0.020 0.000 3.291 111 K HA -0.104 4.216 4.320 -0.000 0.000 0.290 111 K C -0.694 175.867 176.600 -0.065 0.000 1.235 111 K CA 0.200 56.470 56.287 -0.029 0.000 0.848 111 K CB -2.234 30.252 32.500 -0.023 0.000 1.295 111 K HN -0.002 nan 8.250 nan 0.000 0.497 112 V N 1.515 121.359 119.914 -0.117 0.000 2.461 112 V HA 0.167 4.287 4.120 -0.000 0.000 0.275 112 V C 1.011 176.986 176.094 -0.199 0.000 1.047 112 V CA -0.739 61.394 62.300 -0.279 0.000 0.955 112 V CB 1.773 33.160 31.823 -0.726 0.000 0.988 112 V HN 0.035 nan 8.190 nan 0.000 0.471 113 V N 5.189 125.017 119.914 -0.142 0.000 2.455 113 V HA 0.146 4.266 4.120 -0.000 0.000 0.273 113 V C 0.109 176.215 176.094 0.020 0.000 1.045 113 V CA -0.351 61.927 62.300 -0.037 0.000 0.976 113 V CB 0.619 32.429 31.823 -0.023 0.000 0.993 113 V HN 0.890 nan 8.190 nan 0.000 0.475 114 H N 5.281 124.352 119.070 0.002 0.000 2.594 114 H HA 0.513 5.069 4.556 -0.000 0.000 0.304 114 H C -0.845 174.520 175.328 0.062 0.000 1.068 114 H CA -0.725 55.375 56.048 0.086 0.000 1.308 114 H CB 1.250 31.148 29.762 0.227 0.000 1.409 114 H HN 0.346 nan 8.280 nan 0.000 0.460 115 V N 6.222 126.295 119.914 0.265 0.000 2.398 115 V HA 0.143 4.262 4.120 -0.000 0.000 0.286 115 V C 0.224 176.375 176.094 0.095 0.000 1.026 115 V CA -0.970 61.365 62.300 0.059 0.000 0.868 115 V CB 1.079 32.945 31.823 0.072 0.000 0.982 115 V HN 0.797 nan 8.190 nan 0.000 0.443 116 N N 3.810 122.474 118.700 -0.061 0.000 2.439 116 N HA 0.703 5.443 4.740 -0.000 0.000 0.249 116 N C -0.137 175.411 175.510 0.064 0.000 1.003 116 N CA 0.664 53.740 53.050 0.043 0.000 0.942 116 N CB 1.333 39.786 38.487 -0.057 0.000 1.115 116 N HN 0.998 nan 8.380 nan 0.000 0.505 117 G N 1.707 110.569 108.800 0.102 0.000 2.320 117 G HA2 0.105 4.065 3.960 -0.000 0.000 0.297 117 G HA3 0.105 4.065 3.960 -0.000 0.000 0.297 117 G C -2.217 172.771 174.900 0.147 0.000 1.344 117 G CA -0.917 44.254 45.100 0.119 0.000 0.851 117 G HN 0.318 nan 8.290 nan 0.000 0.567 118 Y N 1.616 121.955 120.300 0.066 0.000 2.452 118 Y HA 0.524 5.074 4.550 -0.000 0.000 0.348 118 Y C 0.951 176.890 175.900 0.065 0.000 0.985 118 Y CA 0.324 58.470 58.100 0.076 0.000 1.214 118 Y CB 0.867 39.372 38.460 0.074 0.000 1.136 118 Y HN 0.730 nan 8.280 nan 0.000 0.523 119 G N 5.718 114.621 108.800 0.172 0.000 2.390 119 G HA2 0.355 4.314 3.960 -0.000 0.000 0.270 119 G HA3 0.355 4.314 3.960 -0.000 0.000 0.270 119 G C -1.204 173.822 174.900 0.209 0.000 1.211 119 G CA -0.716 44.479 45.100 0.158 0.000 0.842 119 G HN 0.604 nan 8.290 nan 0.000 0.519 120 K N 2.586 123.080 120.400 0.156 0.000 2.443 120 K HA 0.401 4.721 4.320 -0.000 0.000 0.252 120 K C -0.331 176.311 176.600 0.070 0.000 0.933 120 K CA -0.862 55.498 56.287 0.122 0.000 0.792 120 K CB 1.496 34.057 32.500 0.102 0.000 1.185 120 K HN 0.400 nan 8.250 nan 0.000 0.425 121 I N 4.679 125.281 120.570 0.053 0.000 2.494 121 I HA -0.004 4.166 4.170 -0.000 0.000 0.289 121 I C 1.129 177.262 176.117 0.026 0.000 1.106 121 I CA 0.096 61.417 61.300 0.035 0.000 1.369 121 I CB 0.861 38.876 38.000 0.026 0.000 1.410 121 I HN 0.768 nan 8.210 nan 0.000 0.523 122 T N 1.106 115.674 114.554 0.024 0.000 3.054 122 T HA 0.396 4.746 4.350 -0.000 0.000 0.255 122 T C 0.527 175.234 174.700 0.011 0.000 1.035 122 T CA -0.254 61.856 62.100 0.017 0.000 0.941 122 T CB 0.441 69.320 68.868 0.018 0.000 1.026 122 T HN 0.716 nan 8.240 nan 0.000 0.533 123 G N 0.257 109.063 108.800 0.011 0.000 2.632 123 G HA2 0.394 4.354 3.960 -0.000 0.000 0.292 123 G HA3 0.394 4.354 3.960 -0.000 0.000 0.292 123 G C 0.090 174.994 174.900 0.007 0.000 1.465 123 G CA -0.599 44.505 45.100 0.007 0.000 0.824 123 G HN -0.020 nan 8.290 nan 0.000 0.509 124 K N -0.339 120.063 120.400 0.003 0.000 2.173 124 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 124 K C 0.630 177.233 176.600 0.006 0.000 1.046 124 K CA 1.900 58.187 56.287 0.001 0.000 0.929 124 K CB -0.048 32.451 32.500 -0.002 0.000 0.720 124 K HN 0.414 nan 8.250 nan 0.000 0.453 125 N N 0.310 119.014 118.700 0.007 0.000 2.497 125 N HA 0.068 4.808 4.740 -0.000 0.000 0.284 125 N C -1.348 174.168 175.510 0.010 0.000 1.459 125 N CA -0.271 52.784 53.050 0.009 0.000 0.899 125 N CB 1.244 39.736 38.487 0.008 0.000 1.316 125 N HN 0.208 nan 8.380 nan 0.000 0.500 126 Q N 0.223 120.030 119.800 0.012 0.000 2.352 126 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 126 Q C -2.093 173.919 176.000 0.019 0.000 1.006 126 Q CA -0.641 55.171 55.803 0.014 0.000 0.880 126 Q CB 1.730 30.475 28.738 0.013 0.000 1.392 126 Q HN -0.042 nan 8.270 nan 0.000 0.401 127 V N 2.368 122.296 119.914 0.023 0.000 2.588 127 V HA 0.569 4.689 4.120 -0.000 0.000 0.304 127 V C -0.612 175.505 176.094 0.037 0.000 1.042 127 V CA -0.550 61.770 62.300 0.033 0.000 0.877 127 V CB 2.088 33.932 31.823 0.034 0.000 0.996 127 V HN 0.879 nan 8.190 nan 0.000 0.425 128 T N 3.889 118.471 114.554 0.047 0.000 2.770 128 T HA 0.692 5.042 4.350 -0.000 0.000 0.283 128 T C -0.017 174.727 174.700 0.073 0.000 0.988 128 T CA -0.271 61.858 62.100 0.049 0.000 0.957 128 T CB 1.505 70.397 68.868 0.040 0.000 0.930 128 T HN 0.931 nan 8.240 nan 0.000 0.443 129 A N 3.228 126.090 122.820 0.070 0.000 2.260 129 A HA 0.706 5.026 4.320 -0.000 0.000 0.314 129 A C 0.607 178.241 177.584 0.085 0.000 1.257 129 A CA -0.784 51.309 52.037 0.094 0.000 0.871 129 A CB 0.269 19.316 19.000 0.080 0.000 1.166 129 A HN 0.812 nan 8.150 nan 0.000 0.522 130 T N -0.328 114.292 114.554 0.110 0.000 2.895 130 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 130 T C -0.199 174.555 174.700 0.089 0.000 1.014 130 T CA -0.705 61.441 62.100 0.078 0.000 1.037 130 T CB 1.379 70.279 68.868 0.054 0.000 1.006 130 T HN 0.386 nan 8.240 nan 0.000 0.468 131 K N 1.548 121.983 120.400 0.059 0.000 2.861 131 K HA 0.663 4.983 4.320 -0.000 0.000 0.210 131 K C 1.268 177.894 176.600 0.044 0.000 1.112 131 K CA 0.194 56.514 56.287 0.056 0.000 1.076 131 K CB 0.083 32.606 32.500 0.038 0.000 0.853 131 K HN 0.869 nan 8.250 nan 0.000 0.463 132 A N 1.033 123.878 122.820 0.041 0.000 2.621 132 A HA -0.390 3.929 4.320 -0.000 0.000 0.235 132 A C 1.196 178.790 177.584 0.018 0.000 0.477 132 A CA 2.272 54.326 52.037 0.028 0.000 1.115 132 A CB -1.923 17.098 19.000 0.035 0.000 1.400 132 A HN 0.608 nan 8.150 nan 0.000 0.691 133 D N -0.455 119.956 120.400 0.018 0.000 2.338 133 D HA 0.392 5.032 4.640 -0.000 0.000 0.239 133 D C 1.461 177.767 176.300 0.010 0.000 1.095 133 D CA 1.304 55.312 54.000 0.012 0.000 0.888 133 D CB -0.677 40.130 40.800 0.012 0.000 0.899 133 D HN 2.049 nan 8.370 nan 0.000 0.525 134 G N -1.038 107.768 108.800 0.010 0.000 2.199 134 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 134 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 134 G C 0.667 175.574 174.900 0.010 0.000 0.982 134 G CA -0.087 45.017 45.100 0.008 0.000 0.632 134 G HN 0.813 nan 8.290 nan 0.000 0.529 135 G N -0.171 108.637 108.800 0.013 0.000 2.441 135 G HA2 0.552 4.512 3.960 -0.000 0.000 0.243 135 G HA3 0.552 4.512 3.960 -0.000 0.000 0.243 135 G C -0.133 174.779 174.900 0.020 0.000 1.281 135 G CA 1.090 46.198 45.100 0.014 0.000 0.854 135 G HN 0.675 nan 8.290 nan 0.000 0.560 136 T N 0.717 115.281 114.554 0.018 0.000 2.909 136 T HA 0.540 4.890 4.350 -0.000 0.000 0.299 136 T C -0.844 173.868 174.700 0.021 0.000 1.073 136 T CA -0.435 61.678 62.100 0.023 0.000 0.999 136 T CB 2.059 70.939 68.868 0.019 0.000 1.098 136 T HN 0.610 nan 8.240 nan 0.000 0.477 137 Q N 1.837 121.652 119.800 0.026 0.000 2.271 137 Q HA 0.637 4.977 4.340 -0.000 0.000 0.268 137 Q C -1.886 174.129 176.000 0.026 0.000 1.021 137 Q CA -0.557 55.259 55.803 0.022 0.000 0.802 137 Q CB 1.584 30.334 28.738 0.021 0.000 1.282 137 Q HN 0.481 nan 8.270 nan 0.000 0.431 138 V N 5.130 125.056 119.914 0.020 0.000 2.472 138 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 138 V C -0.484 175.620 176.094 0.017 0.000 1.037 138 V CA -0.608 61.704 62.300 0.020 0.000 0.908 138 V CB 1.451 33.284 31.823 0.016 0.000 0.985 138 V HN 0.740 nan 8.190 nan 0.000 0.454 139 I N 3.620 124.201 120.570 0.018 0.000 2.418 139 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 139 I C -0.446 175.677 176.117 0.011 0.000 1.008 139 I CA -0.250 61.058 61.300 0.013 0.000 1.104 139 I CB 1.699 39.706 38.000 0.013 0.000 1.264 139 I HN 0.457 nan 8.210 nan 0.000 0.438 140 D N 4.427 124.832 120.400 0.009 0.000 2.274 140 D HA 0.402 5.042 4.640 -0.000 0.000 0.239 140 D C -0.211 176.092 176.300 0.005 0.000 1.104 140 D CA 0.065 54.070 54.000 0.008 0.000 0.840 140 D CB 2.105 42.910 40.800 0.008 0.000 1.100 140 D HN 0.449 nan 8.370 nan 0.000 0.477 141 T N 0.837 115.393 114.554 0.003 0.000 2.916 141 T HA 0.201 4.551 4.350 -0.000 0.000 0.305 141 T C 0.859 175.557 174.700 -0.003 0.000 1.119 141 T CA -0.626 61.472 62.100 -0.004 0.000 1.008 141 T CB 1.572 70.433 68.868 -0.011 0.000 1.129 141 T HN 0.141 nan 8.240 nan 0.000 0.480 142 K N 1.842 122.236 120.400 -0.010 0.000 2.025 142 K HA 0.105 4.425 4.320 -0.000 0.000 0.207 142 K C 0.507 177.105 176.600 -0.004 0.000 1.049 142 K CA 0.916 57.200 56.287 -0.005 0.000 0.933 142 K CB 0.069 32.565 32.500 -0.006 0.000 0.714 142 K HN 0.441 nan 8.250 nan 0.000 0.438 143 N N 0.289 118.967 118.700 -0.037 0.000 2.272 143 N HA 0.360 5.100 4.740 -0.000 0.000 0.305 143 N C -0.959 174.550 175.510 -0.002 0.000 1.103 143 N CA -0.425 52.624 53.050 -0.002 0.000 0.791 143 N CB 2.165 40.595 38.487 -0.095 0.000 1.356 143 N HN -0.052 nan 8.380 nan 0.000 0.486 144 I N 1.709 122.322 120.570 0.072 0.000 2.436 144 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 144 I C -0.889 175.292 176.117 0.106 0.000 1.010 144 I CA -0.898 60.436 61.300 0.056 0.000 1.098 144 I CB 2.011 40.042 38.000 0.051 0.000 1.266 144 I HN 0.151 nan 8.210 nan 0.000 0.434 145 L N 8.431 129.679 121.223 0.042 0.000 2.294 145 L HA 0.541 4.881 4.340 -0.000 0.000 0.283 145 L C -0.537 176.362 176.870 0.047 0.000 1.015 145 L CA -0.199 54.670 54.840 0.049 0.000 0.831 145 L CB 0.902 42.933 42.059 -0.047 0.000 1.217 145 L HN 0.374 nan 8.230 nan 0.000 0.420 146 I N 5.328 125.943 120.570 0.075 0.000 2.416 146 I HA 0.446 4.616 4.170 -0.000 0.000 0.288 146 I C 0.560 176.709 176.117 0.053 0.000 1.051 146 I CA -0.022 61.313 61.300 0.058 0.000 1.375 146 I CB 1.282 39.319 38.000 0.061 0.000 1.407 146 I HN 0.831 nan 8.210 nan 0.000 0.516 147 A N 3.560 126.406 122.820 0.044 0.000 3.292 147 A HA 0.224 4.544 4.320 -0.000 0.000 0.231 147 A C 0.767 178.382 177.584 0.052 0.000 0.952 147 A CA -0.370 51.690 52.037 0.038 0.000 1.044 147 A CB -0.352 18.659 19.000 0.018 0.000 1.236 147 A HN 0.746 nan 8.150 nan 0.000 0.525 148 T N -2.890 111.709 114.554 0.074 0.000 3.148 148 T HA 0.410 4.760 4.350 -0.000 0.000 0.253 148 T C 1.519 176.314 174.700 0.158 0.000 1.134 148 T CA 1.124 63.296 62.100 0.120 0.000 1.051 148 T CB -0.269 68.686 68.868 0.145 0.000 0.959 148 T HN 1.977 nan 8.240 nan 0.000 0.525 149 G N 1.939 110.802 108.800 0.104 0.000 2.611 149 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.301 149 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.301 149 G C 0.145 175.120 174.900 0.125 0.000 1.233 149 G CA 0.873 46.025 45.100 0.087 0.000 0.993 149 G HN 1.681 nan 8.290 nan 0.000 0.553 150 S N -0.667 115.084 115.700 0.085 0.000 2.705 150 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 150 S C -0.823 173.791 174.600 0.023 0.000 1.174 150 S CA 0.383 58.643 58.200 0.100 0.000 0.823 150 S CB 2.367 65.607 63.200 0.066 0.000 1.162 150 S HN 1.841 nan 8.310 nan 0.000 0.487 151 E N -0.473 119.758 120.200 0.052 0.000 2.433 151 E HA 0.644 4.994 4.350 -0.000 0.000 0.278 151 E C -1.432 175.191 176.600 0.038 0.000 0.976 151 E CA -1.306 55.093 56.400 -0.002 0.000 0.793 151 E CB 1.440 31.143 29.700 0.005 0.000 1.311 151 E HN 0.421 nan 8.360 nan 0.000 0.460 152 V N 1.582 121.512 119.914 0.026 0.000 2.655 152 V HA 0.077 4.197 4.120 -0.000 0.000 0.300 152 V C 0.134 176.266 176.094 0.063 0.000 1.044 152 V CA 0.240 62.568 62.300 0.045 0.000 1.095 152 V CB 1.004 32.851 31.823 0.040 0.000 0.952 152 V HN 0.711 nan 8.190 nan 0.000 0.485 153 T N 8.199 122.794 114.554 0.069 0.000 2.761 153 T HA 0.252 4.601 4.350 -0.000 0.000 0.296 153 T C -2.005 172.745 174.700 0.083 0.000 0.934 153 T CA -0.578 61.564 62.100 0.069 0.000 1.091 153 T CB 0.866 69.770 68.868 0.061 0.000 0.896 153 T HN 0.606 nan 8.240 nan 0.000 0.515 154 P HA 0.223 nan 4.420 nan 0.000 0.272 154 P C -0.846 176.527 177.300 0.121 0.000 1.223 154 P CA -0.561 62.598 63.100 0.098 0.000 0.784 154 P CB 0.610 32.352 31.700 0.071 0.000 0.923 155 F N 3.311 123.268 119.950 0.012 0.000 2.404 155 F HA 0.409 4.936 4.527 -0.000 0.000 0.354 155 F C -2.178 173.625 175.800 0.004 0.000 1.122 155 F CA -2.916 55.088 58.000 0.007 0.000 1.080 155 F CB 0.836 39.843 39.000 0.011 0.000 1.131 155 F HN 0.129 nan 8.300 nan 0.000 0.471 156 P HA 0.206 nan 4.420 nan 0.000 0.258 156 P C 0.476 177.761 177.300 -0.024 0.000 1.187 156 P CA 1.320 64.305 63.100 -0.191 0.000 0.767 156 P CB 0.415 31.932 31.700 -0.305 0.000 0.770 157 G N 3.105 111.952 108.800 0.078 0.000 2.284 157 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 157 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 157 G C 0.037 175.034 174.900 0.162 0.000 1.009 157 G CA -0.409 44.766 45.100 0.124 0.000 0.625 157 G HN 0.489 nan 8.290 nan 0.000 0.501 158 I N 2.484 123.206 120.570 0.253 0.000 2.404 158 I HA 0.529 4.699 4.170 -0.000 0.000 0.293 158 I C 0.293 176.481 176.117 0.119 0.000 0.992 158 I CA -0.324 61.072 61.300 0.159 0.000 1.149 158 I CB 2.116 40.183 38.000 0.112 0.000 1.315 158 I HN 0.245 nan 8.210 nan 0.000 0.446 159 T N 4.199 118.791 114.554 0.064 0.000 2.770 159 T HA 0.601 4.951 4.350 -0.000 0.000 0.283 159 T C -0.268 174.449 174.700 0.028 0.000 0.988 159 T CA -0.645 61.484 62.100 0.049 0.000 0.957 159 T CB 0.988 69.878 68.868 0.037 0.000 0.930 159 T HN 0.285 nan 8.240 nan 0.000 0.443 160 I N 3.944 124.532 120.570 0.030 0.000 2.533 160 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 160 I C 0.651 176.770 176.117 0.004 0.000 1.109 160 I CA -0.046 61.262 61.300 0.012 0.000 1.412 160 I CB 0.635 38.647 38.000 0.020 0.000 1.396 160 I HN 0.877 nan 8.210 nan 0.000 0.543 161 D N 3.682 124.076 120.400 -0.009 0.000 2.469 161 D HA -0.011 4.629 4.640 -0.000 0.000 0.213 161 D C 0.350 176.638 176.300 -0.019 0.000 1.135 161 D CA -0.220 53.774 54.000 -0.011 0.000 0.834 161 D CB 0.253 41.044 40.800 -0.015 0.000 1.009 161 D HN 0.378 nan 8.370 nan 0.000 0.507 162 E N -0.252 119.934 120.200 -0.023 0.000 2.805 162 E HA -0.276 4.074 4.350 -0.000 0.000 0.266 162 E C 0.081 176.656 176.600 -0.043 0.000 1.092 162 E CA 1.450 57.831 56.400 -0.030 0.000 0.781 162 E CB -1.490 28.198 29.700 -0.019 0.000 1.379 162 E HN 0.652 nan 8.360 nan 0.000 0.433 163 D N -0.993 119.377 120.400 -0.049 0.000 3.206 163 D HA 0.067 4.707 4.640 -0.000 0.000 0.267 163 D C 1.650 177.902 176.300 -0.081 0.000 1.506 163 D CA 1.974 55.939 54.000 -0.058 0.000 1.173 163 D CB -0.019 40.754 40.800 -0.045 0.000 1.141 163 D HN 0.119 nan 8.370 nan 0.000 0.350 164 T N -1.855 112.654 114.554 -0.074 0.000 2.959 164 T HA 0.369 4.719 4.350 -0.000 0.000 0.254 164 T C 0.817 175.464 174.700 -0.089 0.000 1.003 164 T CA -0.244 61.801 62.100 -0.091 0.000 0.950 164 T CB 0.444 69.265 68.868 -0.078 0.000 1.090 164 T HN 0.110 nan 8.240 nan 0.000 0.503 165 I N 3.732 124.261 120.570 -0.068 0.000 2.371 165 I HA 0.524 4.694 4.170 -0.000 0.000 0.282 165 I C -0.379 175.706 176.117 -0.053 0.000 1.031 165 I CA -1.222 60.041 61.300 -0.062 0.000 1.180 165 I CB 1.634 39.607 38.000 -0.045 0.000 1.336 165 I HN 0.123 nan 8.210 nan 0.000 0.467 166 V N 2.698 122.575 119.914 -0.062 0.000 3.019 166 V HA 0.789 4.909 4.120 -0.000 0.000 0.317 166 V C 0.151 176.232 176.094 -0.023 0.000 1.094 166 V CA -0.469 61.804 62.300 -0.045 0.000 1.000 166 V CB 1.744 33.527 31.823 -0.067 0.000 1.060 166 V HN 0.698 nan 8.190 nan 0.000 0.443 167 S N 0.707 116.404 115.700 -0.004 0.000 2.748 167 S HA 0.410 4.880 4.470 -0.000 0.000 0.299 167 S C 1.387 176.002 174.600 0.025 0.000 1.119 167 S CA 0.119 58.329 58.200 0.017 0.000 0.997 167 S CB 1.001 64.214 63.200 0.022 0.000 1.223 167 S HN 1.783 nan 8.310 nan 0.000 0.541 168 S N 0.272 115.997 115.700 0.042 0.000 2.383 168 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 168 S C 1.732 176.363 174.600 0.051 0.000 1.030 168 S CA 1.818 60.053 58.200 0.059 0.000 1.002 168 S CB -1.706 61.532 63.200 0.062 0.000 0.829 168 S HN 0.775 nan 8.310 nan 0.000 0.467 169 T N 1.925 116.497 114.554 0.030 0.000 2.746 169 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 169 T C 2.019 176.732 174.700 0.022 0.000 1.039 169 T CA 1.476 63.589 62.100 0.021 0.000 1.142 169 T CB -1.009 67.862 68.868 0.004 0.000 0.866 169 T HN 0.657 nan 8.240 nan 0.000 0.444 170 G N 0.705 109.511 108.800 0.009 0.000 2.421 170 G HA2 0.068 4.028 3.960 -0.000 0.000 0.217 170 G HA3 0.068 4.028 3.960 -0.000 0.000 0.217 170 G C 1.781 176.677 174.900 -0.007 0.000 1.143 170 G CA 0.746 45.840 45.100 -0.010 0.000 0.784 170 G HN 0.561 nan 8.290 nan 0.000 0.541 171 A N 0.574 123.406 122.820 0.020 0.000 1.969 171 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 171 A C 2.258 179.997 177.584 0.257 0.000 1.169 171 A CA 0.816 52.894 52.037 0.068 0.000 0.635 171 A CB -0.296 18.773 19.000 0.115 0.000 0.810 171 A HN 0.349 nan 8.150 nan 0.000 0.445 172 L N -0.526 120.805 121.223 0.180 0.000 2.551 172 L HA -0.000 4.340 4.340 -0.000 0.000 0.228 172 L C 1.056 178.032 176.870 0.176 0.000 1.153 172 L CA 0.779 55.729 54.840 0.182 0.000 0.851 172 L CB 0.127 42.240 42.059 0.090 0.000 0.959 172 L HN 0.250 nan 8.230 nan 0.000 0.451 173 S N -0.681 115.103 115.700 0.141 0.000 2.952 173 S HA 0.314 4.784 4.470 -0.000 0.000 0.251 173 S C 0.390 175.032 174.600 0.070 0.000 1.021 173 S CA -0.528 57.733 58.200 0.102 0.000 1.067 173 S CB 0.310 63.537 63.200 0.045 0.000 1.002 173 S HN 0.084 nan 8.310 nan 0.000 0.574 174 L N 1.957 123.206 121.223 0.045 0.000 2.554 174 L HA 0.040 4.379 4.340 -0.000 0.000 0.293 174 L C 1.486 178.339 176.870 -0.030 0.000 1.252 174 L CA 0.087 54.843 54.840 -0.139 0.000 0.862 174 L CB 0.382 42.088 42.059 -0.588 0.000 1.113 174 L HN 0.064 nan 8.230 nan 0.000 0.510 175 K N 1.619 121.979 120.400 -0.067 0.000 2.400 175 K HA 0.184 4.504 4.320 -0.000 0.000 0.194 175 K C 0.087 176.674 176.600 -0.021 0.000 1.033 175 K CA 0.603 56.876 56.287 -0.024 0.000 1.021 175 K CB 0.275 32.754 32.500 -0.034 0.000 0.808 175 K HN 0.413 nan 8.250 nan 0.000 0.505 176 K N 0.143 120.502 120.400 -0.067 0.000 2.555 176 K HA 0.283 4.603 4.320 -0.000 0.000 0.279 176 K C -0.994 175.545 176.600 -0.101 0.000 0.986 176 K CA -0.780 55.479 56.287 -0.047 0.000 0.880 176 K CB 2.474 34.939 32.500 -0.058 0.000 1.474 176 K HN -0.341 nan 8.250 nan 0.000 0.433 177 V N 4.384 124.295 119.914 -0.004 0.000 2.439 177 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 177 V C -1.773 174.258 176.094 -0.104 0.000 1.040 177 V CA -1.138 61.175 62.300 0.022 0.000 1.002 177 V CB 0.351 32.244 31.823 0.117 0.000 1.000 177 V HN 0.545 nan 8.190 nan 0.000 0.477 178 P HA 0.037 nan 4.420 nan 0.000 0.267 178 P C 0.702 177.937 177.300 -0.108 0.000 1.209 178 P CA 0.070 63.052 63.100 -0.196 0.000 0.763 178 P CB 0.974 32.500 31.700 -0.289 0.000 0.816 179 E N 3.122 123.273 120.200 -0.082 0.000 2.130 179 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 179 E C 0.312 176.878 176.600 -0.057 0.000 0.998 179 E CA 1.225 57.593 56.400 -0.053 0.000 0.806 179 E CB 0.172 29.845 29.700 -0.045 0.000 0.738 179 E HN 0.396 nan 8.360 nan 0.000 0.459 180 K N -0.086 120.268 120.400 -0.077 0.000 2.525 180 K HA 0.332 4.652 4.320 -0.000 0.000 0.254 180 K C -1.572 174.966 176.600 -0.103 0.000 0.934 180 K CA -0.598 55.642 56.287 -0.077 0.000 0.802 180 K CB 1.589 34.053 32.500 -0.060 0.000 1.295 180 K HN 0.056 nan 8.250 nan 0.000 0.433 181 M N 4.489 124.024 119.600 -0.110 0.000 2.518 181 M HA 0.515 4.994 4.480 -0.000 0.000 0.300 181 M C -1.742 174.497 176.300 -0.103 0.000 1.175 181 M CA -0.882 54.342 55.300 -0.127 0.000 0.890 181 M CB 2.117 34.619 32.600 -0.163 0.000 1.710 181 M HN 0.423 nan 8.290 nan 0.000 0.453 182 V N 4.122 123.982 119.914 -0.091 0.000 2.555 182 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 182 V C -0.845 175.218 176.094 -0.052 0.000 1.038 182 V CA -0.703 61.559 62.300 -0.065 0.000 0.887 182 V CB 1.981 33.766 31.823 -0.063 0.000 0.991 182 V HN 0.688 nan 8.190 nan 0.000 0.434 183 V N 5.916 125.824 119.914 -0.010 0.000 2.409 183 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 183 V C -0.098 176.017 176.094 0.036 0.000 1.020 183 V CA -0.436 61.880 62.300 0.026 0.000 0.848 183 V CB 1.753 33.638 31.823 0.102 0.000 0.990 183 V HN 0.665 nan 8.190 nan 0.000 0.430 184 I N 4.888 125.459 120.570 0.001 0.000 2.301 184 I HA 0.639 4.808 4.170 -0.000 0.000 0.292 184 I C 0.801 176.961 176.117 0.072 0.000 1.046 184 I CA 0.197 61.496 61.300 -0.002 0.000 1.282 184 I CB 0.843 38.763 38.000 -0.134 0.000 1.409 184 I HN 0.890 nan 8.210 nan 0.000 0.484 185 G N 4.558 113.426 108.800 0.113 0.000 3.226 185 G HA2 0.124 4.084 3.960 -0.000 0.000 0.685 185 G HA3 0.124 4.084 3.960 -0.000 0.000 0.685 185 G C -0.408 174.586 174.900 0.157 0.000 1.207 185 G CA -0.348 44.832 45.100 0.133 0.000 0.877 185 G HN 0.874 nan 8.290 nan 0.000 0.585 186 A N 1.608 124.513 122.820 0.142 0.000 2.827 186 A HA 0.791 5.111 4.320 -0.000 0.000 0.300 186 A C 1.312 178.967 177.584 0.118 0.000 1.237 186 A CA 1.054 53.191 52.037 0.168 0.000 0.964 186 A CB -0.146 18.944 19.000 0.151 0.000 1.143 186 A HN 2.101 nan 8.150 nan 0.000 0.554 187 G N -1.127 107.753 108.800 0.134 0.000 2.535 187 G HA2 0.371 4.331 3.960 -0.000 0.000 0.282 187 G HA3 0.371 4.331 3.960 -0.000 0.000 0.282 187 G C 1.129 176.149 174.900 0.200 0.000 1.350 187 G CA 0.212 45.398 45.100 0.143 0.000 1.039 187 G HN 0.174 nan 8.290 nan 0.000 0.509 188 V N 0.178 120.222 119.914 0.216 0.000 2.252 188 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 188 V C 2.844 179.075 176.094 0.228 0.000 1.056 188 V CA 2.038 64.482 62.300 0.240 0.000 1.022 188 V CB -0.791 31.160 31.823 0.214 0.000 0.641 188 V HN 0.583 nan 8.190 nan 0.000 0.445 189 I N 0.522 121.204 120.570 0.187 0.000 2.226 189 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 189 I C 2.592 178.825 176.117 0.194 0.000 1.100 189 I CA 1.741 63.143 61.300 0.171 0.000 1.374 189 I CB -0.920 37.160 38.000 0.132 0.000 1.057 189 I HN 0.422 nan 8.210 nan 0.000 0.413 190 G N 0.221 109.143 108.800 0.203 0.000 2.418 190 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 190 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 190 G C 1.731 176.835 174.900 0.339 0.000 1.158 190 G CA 0.742 45.982 45.100 0.234 0.000 0.771 190 G HN 0.230 nan 8.290 nan 0.000 0.545 191 V N 0.597 120.729 119.914 0.364 0.000 2.295 191 V HA -0.165 3.954 4.120 -0.000 0.000 0.246 191 V C 2.727 179.106 176.094 0.474 0.000 1.049 191 V CA 2.254 64.841 62.300 0.479 0.000 1.024 191 V CB -0.411 31.632 31.823 0.367 0.000 0.648 191 V HN 0.473 nan 8.190 nan 0.000 0.447 192 E N -0.159 120.243 120.200 0.338 0.000 2.051 192 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 192 E C 2.211 178.918 176.600 0.179 0.000 0.991 192 E CA 1.425 57.979 56.400 0.257 0.000 0.799 192 E CB -0.182 29.646 29.700 0.214 0.000 0.748 192 E HN 0.507 nan 8.360 nan 0.000 0.449 193 L N -0.016 121.317 121.223 0.183 0.000 2.109 193 L HA -0.045 4.294 4.340 -0.000 0.000 0.207 193 L C 2.600 179.561 176.870 0.153 0.000 1.086 193 L CA 1.008 55.945 54.840 0.161 0.000 0.760 193 L CB -0.657 41.526 42.059 0.207 0.000 0.910 193 L HN 0.225 nan 8.230 nan 0.000 0.437 194 G N -0.924 107.950 108.800 0.125 0.000 2.418 194 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 194 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 194 G C 1.821 176.466 174.900 -0.425 0.000 1.158 194 G CA 1.067 46.053 45.100 -0.190 0.000 0.771 194 G HN 0.326 nan 8.290 nan 0.000 0.545 195 S N -0.558 115.057 115.700 -0.142 0.000 2.368 195 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 195 S C 2.529 177.044 174.600 -0.141 0.000 1.029 195 S CA 1.305 59.455 58.200 -0.084 0.000 0.988 195 S CB -0.286 63.039 63.200 0.208 0.000 0.838 195 S HN 0.131 nan 8.310 nan 0.000 0.462 196 V N 0.246 120.059 119.914 -0.169 0.000 2.252 196 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 196 V C 1.978 177.765 176.094 -0.512 0.000 1.056 196 V CA 2.182 64.260 62.300 -0.369 0.000 1.022 196 V CB -0.819 30.675 31.823 -0.548 0.000 0.641 196 V HN 0.691 nan 8.190 nan 0.000 0.445 197 W N -0.787 120.427 121.300 -0.144 0.000 2.436 197 W HA -0.098 4.562 4.660 -0.000 0.000 0.284 197 W C 2.619 179.022 176.519 -0.193 0.000 1.225 197 W CA 0.971 58.217 57.345 -0.165 0.000 1.271 197 W CB -0.343 29.017 29.460 -0.166 0.000 1.114 197 W HN 0.167 nan 8.180 nan 0.000 0.559 198 Q N 1.427 121.156 119.800 -0.117 0.000 2.084 198 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 198 Q C 2.000 177.940 176.000 -0.101 0.000 0.978 198 Q CA 1.671 57.373 55.803 -0.169 0.000 0.844 198 Q CB -0.278 28.256 28.738 -0.339 0.000 0.898 198 Q HN 0.329 nan 8.270 nan 0.000 0.426 199 R N -0.148 120.279 120.500 -0.122 0.000 2.096 199 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 199 R C 2.378 178.686 176.300 0.014 0.000 1.127 199 R CA 1.182 57.244 56.100 -0.065 0.000 0.968 199 R CB -0.257 30.006 30.300 -0.063 0.000 0.861 199 R HN 0.256 nan 8.270 nan 0.000 0.440 200 L N -0.634 120.524 121.223 -0.109 0.000 2.610 200 L HA 0.114 4.454 4.340 -0.000 0.000 0.232 200 L C 1.208 178.020 176.870 -0.097 0.000 1.149 200 L CA 0.638 55.350 54.840 -0.212 0.000 0.872 200 L CB 0.200 42.069 42.059 -0.317 0.000 0.992 200 L HN 0.566 nan 8.230 nan 0.000 0.447 201 G N -0.954 107.837 108.800 -0.014 0.000 2.367 201 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.181 201 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.181 201 G C 0.313 175.220 174.900 0.011 0.000 1.000 201 G CA -0.206 44.895 45.100 0.001 0.000 0.693 201 G HN 0.369 nan 8.290 nan 0.000 0.480 202 A N 0.402 123.238 122.820 0.028 0.000 2.351 202 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 202 A C -0.014 177.544 177.584 -0.043 0.000 1.087 202 A CA 0.519 52.556 52.037 -0.000 0.000 0.798 202 A CB 0.590 19.605 19.000 0.026 0.000 1.033 202 A HN 0.404 nan 8.150 nan 0.000 0.488 203 D N 1.498 121.866 120.400 -0.053 0.000 2.313 203 D HA 0.432 5.072 4.640 -0.000 0.000 0.239 203 D C -0.773 175.468 176.300 -0.097 0.000 1.142 203 D CA 0.076 54.039 54.000 -0.061 0.000 0.847 203 D CB 0.824 41.599 40.800 -0.041 0.000 1.082 203 D HN 0.131 nan 8.370 nan 0.000 0.480 204 V N 3.362 123.188 119.914 -0.146 0.000 2.680 204 V HA 0.621 4.741 4.120 -0.000 0.000 0.309 204 V C 0.112 176.116 176.094 -0.149 0.000 1.052 204 V CA -0.658 61.516 62.300 -0.210 0.000 0.908 204 V CB 2.219 33.769 31.823 -0.455 0.000 1.001 204 V HN 0.659 nan 8.190 nan 0.000 0.431 205 T N 2.863 117.360 114.554 -0.095 0.000 2.991 205 T HA 0.705 5.055 4.350 -0.000 0.000 0.303 205 T C -0.456 174.249 174.700 0.009 0.000 1.015 205 T CA -0.347 61.728 62.100 -0.041 0.000 1.007 205 T CB 1.695 70.543 68.868 -0.035 0.000 1.034 205 T HN 0.982 nan 8.240 nan 0.000 0.446 206 A N 2.724 125.556 122.820 0.021 0.000 2.304 206 A HA 0.801 5.121 4.320 -0.000 0.000 0.323 206 A C -0.369 177.285 177.584 0.115 0.000 1.195 206 A CA -0.629 51.473 52.037 0.108 0.000 0.826 206 A CB 0.747 19.871 19.000 0.206 0.000 1.184 206 A HN 0.690 nan 8.150 nan 0.000 0.496 207 V N 2.280 122.255 119.914 0.101 0.000 2.398 207 V HA 0.565 4.685 4.120 -0.000 0.000 0.286 207 V C -0.237 175.932 176.094 0.124 0.000 1.026 207 V CA -0.370 61.987 62.300 0.096 0.000 0.868 207 V CB 1.231 33.087 31.823 0.055 0.000 0.982 207 V HN 0.997 nan 8.190 nan 0.000 0.443 208 E N 2.744 123.018 120.200 0.125 0.000 2.256 208 E HA 0.384 4.734 4.350 -0.000 0.000 0.268 208 E C -0.170 176.508 176.600 0.130 0.000 0.877 208 E CA -0.651 55.825 56.400 0.128 0.000 0.757 208 E CB 1.592 31.339 29.700 0.078 0.000 1.183 208 E HN 0.383 nan 8.360 nan 0.000 0.418 209 F N 3.977 123.951 119.950 0.039 0.000 2.146 209 F HA 0.182 4.709 4.527 -0.000 0.000 0.298 209 F C 0.439 176.248 175.800 0.014 0.000 1.096 209 F CA 0.893 58.915 58.000 0.038 0.000 1.275 209 F CB 0.248 39.279 39.000 0.052 0.000 1.008 209 F HN 0.434 nan 8.300 nan 0.000 0.480 210 L N -0.807 120.500 121.223 0.139 0.000 2.479 210 L HA 0.241 4.581 4.340 -0.000 0.000 0.248 210 L C 1.611 178.453 176.870 -0.047 0.000 1.205 210 L CA 0.095 54.958 54.840 0.038 0.000 0.817 210 L CB -0.175 41.889 42.059 0.009 0.000 1.162 210 L HN 0.040 nan 8.230 nan 0.000 0.486 211 G N -0.947 107.861 108.800 0.012 0.000 3.383 211 G HA2 0.157 4.116 3.960 -0.000 0.000 0.251 211 G HA3 0.157 4.116 3.960 -0.000 0.000 0.251 211 G C 0.076 175.016 174.900 0.066 0.000 1.203 211 G CA 0.049 45.158 45.100 0.015 0.000 0.852 211 G HN 0.767 nan 8.290 nan 0.000 0.531 212 H N -3.028 116.004 119.070 -0.064 0.000 3.014 212 H HA 0.508 5.064 4.556 -0.000 0.000 0.337 212 H C -1.913 173.352 175.328 -0.106 0.000 1.320 212 H CA -0.778 55.208 56.048 -0.104 0.000 1.128 212 H CB 1.039 30.749 29.762 -0.088 0.000 1.862 212 H HN -0.155 nan 8.280 nan 0.000 0.536 213 V N 0.017 119.841 119.914 -0.151 0.000 2.834 213 V HA 0.520 4.639 4.120 -0.000 0.000 0.313 213 V C 1.292 177.429 176.094 0.073 0.000 1.060 213 V CA 0.558 62.748 62.300 -0.184 0.000 0.989 213 V CB 1.057 32.602 31.823 -0.462 0.000 1.041 213 V HN 1.263 nan 8.190 nan 0.000 0.459 214 G N 1.664 110.539 108.800 0.126 0.000 2.176 214 G HA2 0.193 4.153 3.960 -0.000 0.000 0.232 214 G HA3 0.193 4.153 3.960 -0.000 0.000 0.232 214 G C 0.866 175.920 174.900 0.257 0.000 0.986 214 G CA 0.139 45.392 45.100 0.254 0.000 0.643 214 G HN 2.331 nan 8.290 nan 0.000 0.522 215 G N -1.889 107.008 108.800 0.163 0.000 2.693 215 G HA2 0.146 4.106 3.960 -0.000 0.000 0.226 215 G HA3 0.146 4.106 3.960 -0.000 0.000 0.226 215 G C 0.112 175.185 174.900 0.288 0.000 1.354 215 G CA 0.119 45.335 45.100 0.192 0.000 0.873 215 G HN 1.499 nan 8.290 nan 0.000 0.562 216 V N 1.319 121.379 119.914 0.244 0.000 2.775 216 V HA 0.506 4.626 4.120 -0.000 0.000 0.299 216 V C 1.958 178.189 176.094 0.229 0.000 1.062 216 V CA 1.843 64.275 62.300 0.220 0.000 1.063 216 V CB 0.516 32.435 31.823 0.159 0.000 0.994 216 V HN 2.849 nan 8.190 nan 0.000 0.483 217 G N 3.929 112.804 108.800 0.126 0.000 2.234 217 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 217 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 217 G C 0.295 175.106 174.900 -0.148 0.000 0.987 217 G CA 0.340 45.501 45.100 0.103 0.000 0.625 217 G HN 0.762 nan 8.290 nan 0.000 0.532 218 I N 1.900 122.269 120.570 -0.336 0.000 2.556 218 I HA 0.350 4.519 4.170 -0.000 0.000 0.284 218 I C 0.618 176.340 176.117 -0.659 0.000 1.114 218 I CA -0.247 60.468 61.300 -0.976 0.000 1.418 218 I CB 0.466 38.022 38.000 -0.740 0.000 1.394 218 I HN 0.258 nan 8.210 nan 0.000 0.552 219 D N 6.536 126.504 120.400 -0.719 0.000 2.493 219 D HA -0.079 4.561 4.640 -0.000 0.000 0.240 219 D C 1.131 177.181 176.300 -0.416 0.000 1.142 219 D CA -0.052 53.610 54.000 -0.563 0.000 0.872 219 D CB 0.882 41.215 40.800 -0.778 0.000 1.173 219 D HN 0.447 nan 8.370 nan 0.000 0.467 220 M N 2.547 121.939 119.600 -0.345 0.000 2.117 220 M HA -0.129 4.350 4.480 -0.000 0.000 0.262 220 M C 1.853 178.040 176.300 -0.188 0.000 1.065 220 M CA 1.496 56.631 55.300 -0.275 0.000 1.114 220 M CB -1.113 31.347 32.600 -0.233 0.000 1.361 220 M HN 0.722 nan 8.290 nan 0.000 0.408 221 E N 0.427 120.523 120.200 -0.174 0.000 2.051 221 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 221 E C 1.987 178.528 176.600 -0.098 0.000 0.991 221 E CA 1.089 57.420 56.400 -0.114 0.000 0.799 221 E CB 0.131 29.771 29.700 -0.100 0.000 0.748 221 E HN 0.287 nan 8.360 nan 0.000 0.449 222 I N 1.093 121.580 120.570 -0.139 0.000 2.208 222 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 222 I C 2.660 178.748 176.117 -0.049 0.000 1.097 222 I CA 1.246 62.490 61.300 -0.094 0.000 1.363 222 I CB -1.337 36.574 38.000 -0.148 0.000 1.051 222 I HN 0.204 nan 8.210 nan 0.000 0.413 223 S N 0.381 116.022 115.700 -0.098 0.000 2.368 223 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 223 S C 2.042 176.651 174.600 0.013 0.000 1.030 223 S CA 1.228 59.425 58.200 -0.006 0.000 0.999 223 S CB -0.005 63.168 63.200 -0.044 0.000 0.844 223 S HN 0.317 nan 8.310 nan 0.000 0.459 224 K N 0.942 121.320 120.400 -0.036 0.000 2.057 224 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 224 K C 1.965 178.554 176.600 -0.018 0.000 1.050 224 K CA 1.385 57.645 56.287 -0.045 0.000 0.935 224 K CB -0.536 31.935 32.500 -0.049 0.000 0.715 224 K HN 0.548 nan 8.250 nan 0.000 0.439 225 N N 0.173 118.883 118.700 0.016 0.000 2.120 225 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 225 N C 1.769 177.345 175.510 0.111 0.000 1.024 225 N CA 0.790 53.869 53.050 0.047 0.000 0.852 225 N CB -0.194 38.321 38.487 0.047 0.000 1.003 225 N HN 0.047 nan 8.380 nan 0.000 0.424 226 F N 2.459 122.375 119.950 -0.058 0.000 2.102 226 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 226 F C 2.617 178.365 175.800 -0.086 0.000 1.105 226 F CA 1.478 59.447 58.000 -0.052 0.000 1.239 226 F CB -0.768 38.200 39.000 -0.053 0.000 0.991 226 F HN 0.015 nan 8.300 nan 0.000 0.474 227 Q N 0.348 120.001 119.800 -0.245 0.000 2.096 227 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 227 Q C 2.562 178.422 176.000 -0.233 0.000 0.982 227 Q CA 2.104 57.614 55.803 -0.488 0.000 0.850 227 Q CB -0.391 28.059 28.738 -0.480 0.000 0.901 227 Q HN 0.506 nan 8.270 nan 0.000 0.422 228 R N 0.028 120.466 120.500 -0.103 0.000 2.081 228 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 228 R C 2.243 178.546 176.300 0.005 0.000 1.131 228 R CA 1.627 57.711 56.100 -0.027 0.000 0.960 228 R CB -0.278 30.020 30.300 -0.003 0.000 0.856 228 R HN 0.369 nan 8.270 nan 0.000 0.436 229 I N 0.822 121.400 120.570 0.014 0.000 2.179 229 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 229 I C 2.181 178.323 176.117 0.041 0.000 1.088 229 I CA 1.197 62.529 61.300 0.052 0.000 1.357 229 I CB -0.185 37.879 38.000 0.106 0.000 1.051 229 I HN 0.227 nan 8.210 nan 0.000 0.409 230 L N -0.157 121.042 121.223 -0.040 0.000 2.083 230 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 230 L C 2.600 179.546 176.870 0.128 0.000 1.083 230 L CA 1.390 56.240 54.840 0.018 0.000 0.752 230 L CB -0.585 41.387 42.059 -0.145 0.000 0.899 230 L HN 0.304 nan 8.230 nan 0.000 0.433 231 Q N 0.010 119.880 119.800 0.117 0.000 2.124 231 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 231 Q C 2.169 178.228 176.000 0.100 0.000 0.977 231 Q CA 1.438 57.322 55.803 0.134 0.000 0.850 231 Q CB 0.021 28.831 28.738 0.120 0.000 0.901 231 Q HN 0.390 nan 8.270 nan 0.000 0.429 232 K N 0.255 120.705 120.400 0.083 0.000 2.283 232 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 232 K C 1.871 178.525 176.600 0.091 0.000 1.048 232 K CA 0.936 57.271 56.287 0.080 0.000 0.948 232 K CB 0.106 32.651 32.500 0.076 0.000 0.742 232 K HN 0.262 nan 8.250 nan 0.000 0.458 233 Q N -1.035 118.825 119.800 0.100 0.000 2.378 233 Q HA -0.001 4.339 4.340 -0.000 0.000 0.205 233 Q C 0.990 177.035 176.000 0.076 0.000 0.954 233 Q CA 0.873 56.730 55.803 0.089 0.000 0.901 233 Q CB 0.611 29.397 28.738 0.080 0.000 0.981 233 Q HN 0.533 nan 8.270 nan 0.000 0.483 234 G N 0.208 109.064 108.800 0.094 0.000 2.205 234 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.180 234 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.180 234 G C -0.386 174.566 174.900 0.087 0.000 1.004 234 G CA -0.576 44.567 45.100 0.071 0.000 0.670 234 G HN 0.272 nan 8.290 nan 0.000 0.496 235 F N 3.285 123.184 119.950 -0.087 0.000 2.434 235 F HA 0.676 5.203 4.527 -0.000 0.000 0.358 235 F C 0.608 176.199 175.800 -0.348 0.000 1.136 235 F CA -1.200 56.667 58.000 -0.222 0.000 1.157 235 F CB 0.385 39.267 39.000 -0.197 0.000 1.167 235 F HN -0.028 nan 8.300 nan 0.000 0.539 236 K N 5.498 125.923 120.400 0.040 0.000 2.144 236 K HA 0.511 4.831 4.320 -0.000 0.000 0.270 236 K C -1.175 175.168 176.600 -0.429 0.000 1.005 236 K CA 0.024 56.243 56.287 -0.113 0.000 0.932 236 K CB 0.829 33.314 32.500 -0.026 0.000 1.021 236 K HN 0.344 nan 8.250 nan 0.000 0.462 237 F N 0.721 120.672 119.950 0.001 0.000 2.577 237 F HA 0.463 4.989 4.527 -0.000 0.000 0.318 237 F C -0.077 175.710 175.800 -0.022 0.000 1.065 237 F CA -0.845 57.129 58.000 -0.043 0.000 0.929 237 F CB 2.044 40.959 39.000 -0.141 0.000 1.237 237 F HN 0.091 nan 8.300 nan 0.000 0.468 238 K N 3.835 124.344 120.400 0.181 0.000 2.675 238 K HA 0.434 4.754 4.320 -0.000 0.000 0.224 238 K C -1.141 175.506 176.600 0.078 0.000 1.003 238 K CA -0.266 56.077 56.287 0.094 0.000 1.034 238 K CB 1.390 33.925 32.500 0.058 0.000 1.218 238 K HN 0.487 nan 8.250 nan 0.000 0.507 239 L N 1.159 122.411 121.223 0.048 0.000 2.479 239 L HA 0.244 4.584 4.340 -0.000 0.000 0.249 239 L C 0.824 177.663 176.870 -0.051 0.000 1.178 239 L CA -0.684 54.154 54.840 -0.002 0.000 0.811 239 L CB 0.220 42.260 42.059 -0.033 0.000 1.187 239 L HN 0.644 nan 8.230 nan 0.000 0.480 240 N N 0.077 118.710 118.700 -0.111 0.000 2.708 240 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 240 N C -0.601 174.775 175.510 -0.222 0.000 1.017 240 N CA 0.932 53.847 53.050 -0.225 0.000 0.742 240 N CB -1.124 37.266 38.487 -0.162 0.000 0.943 240 N HN 0.678 nan 8.380 nan 0.000 0.539 241 T N 0.184 114.650 114.554 -0.147 0.000 2.893 241 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 241 T C 0.253 174.993 174.700 0.068 0.000 1.028 241 T CA -0.924 61.147 62.100 -0.049 0.000 0.995 241 T CB 2.698 71.574 68.868 0.013 0.000 1.051 241 T HN 0.249 nan 8.240 nan 0.000 0.470 242 K N 0.431 120.922 120.400 0.152 0.000 2.318 242 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 242 K C -1.276 175.458 176.600 0.225 0.000 0.942 242 K CA -0.913 55.577 56.287 0.338 0.000 0.808 242 K CB 1.659 34.462 32.500 0.505 0.000 1.189 242 K HN 0.266 nan 8.250 nan 0.000 0.428 243 V N 2.583 122.648 119.914 0.252 0.000 2.465 243 V HA 0.112 4.232 4.120 -0.000 0.000 0.279 243 V C 1.090 177.343 176.094 0.266 0.000 1.045 243 V CA -0.149 62.246 62.300 0.158 0.000 0.938 243 V CB 1.183 32.976 31.823 -0.050 0.000 0.986 243 V HN 1.104 nan 8.190 nan 0.000 0.467 244 T N 0.347 115.002 114.554 0.169 0.000 3.069 244 T HA 0.529 4.879 4.350 -0.000 0.000 0.252 244 T C 0.578 175.377 174.700 0.165 0.000 1.053 244 T CA 0.354 62.558 62.100 0.173 0.000 0.964 244 T CB 0.339 69.273 68.868 0.111 0.000 1.005 244 T HN 1.276 nan 8.240 nan 0.000 0.532 245 G N -0.119 108.759 108.800 0.129 0.000 2.347 245 G HA2 0.553 4.513 3.960 -0.000 0.000 0.303 245 G HA3 0.553 4.513 3.960 -0.000 0.000 0.303 245 G C -1.759 173.150 174.900 0.015 0.000 1.481 245 G CA -0.416 44.742 45.100 0.098 0.000 0.914 245 G HN 0.729 nan 8.290 nan 0.000 0.638 246 A N -0.443 122.378 122.820 0.002 0.000 2.498 246 A HA 0.988 5.308 4.320 -0.000 0.000 0.298 246 A C -0.405 177.173 177.584 -0.010 0.000 1.075 246 A CA -0.420 51.599 52.037 -0.029 0.000 0.714 246 A CB 2.204 21.162 19.000 -0.070 0.000 1.299 246 A HN 1.412 nan 8.150 nan 0.000 0.407 247 T N 1.758 116.303 114.554 -0.016 0.000 2.991 247 T HA 0.332 4.682 4.350 -0.000 0.000 0.303 247 T C -0.672 174.018 174.700 -0.017 0.000 1.015 247 T CA -0.531 61.563 62.100 -0.010 0.000 1.007 247 T CB 1.213 70.079 68.868 -0.003 0.000 1.034 247 T HN 0.603 nan 8.240 nan 0.000 0.446 248 K N 2.531 122.921 120.400 -0.016 0.000 2.270 248 K HA 0.417 4.737 4.320 -0.000 0.000 0.276 248 K C -0.065 176.525 176.600 -0.016 0.000 1.023 248 K CA -0.372 55.903 56.287 -0.021 0.000 0.955 248 K CB 0.889 33.376 32.500 -0.021 0.000 0.975 248 K HN 0.403 nan 8.250 nan 0.000 0.471 249 K N -0.001 120.388 120.400 -0.019 0.000 2.238 249 K HA 0.127 4.447 4.320 -0.000 0.000 0.239 249 K C 1.004 177.595 176.600 -0.016 0.000 0.987 249 K CA -0.517 55.761 56.287 -0.015 0.000 0.857 249 K CB 1.529 34.020 32.500 -0.016 0.000 1.154 249 K HN 0.564 nan 8.250 nan 0.000 0.439 250 S N -0.364 115.328 115.700 -0.013 0.000 2.493 250 S HA -0.195 4.275 4.470 -0.000 0.000 0.243 250 S C 1.328 175.919 174.600 -0.015 0.000 0.991 250 S CA 1.339 59.531 58.200 -0.012 0.000 0.957 250 S CB -0.210 62.984 63.200 -0.010 0.000 0.756 250 S HN 0.630 nan 8.310 nan 0.000 0.521 251 D N 1.633 122.023 120.400 -0.016 0.000 2.144 251 D HA 0.049 4.689 4.640 -0.000 0.000 0.200 251 D C 1.736 178.022 176.300 -0.023 0.000 0.978 251 D CA 1.562 55.551 54.000 -0.018 0.000 0.833 251 D CB -0.463 40.325 40.800 -0.019 0.000 0.961 251 D HN 0.584 nan 8.370 nan 0.000 0.470 252 G N -0.086 108.699 108.800 -0.025 0.000 2.238 252 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 252 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 252 G C 0.508 175.385 174.900 -0.037 0.000 0.996 252 G CA 0.174 45.255 45.100 -0.030 0.000 0.632 252 G HN 0.389 nan 8.290 nan 0.000 0.503 253 K N 0.150 120.529 120.400 -0.035 0.000 2.120 253 K HA 0.686 5.006 4.320 -0.000 0.000 0.245 253 K C 0.108 176.685 176.600 -0.039 0.000 1.024 253 K CA -0.126 56.137 56.287 -0.040 0.000 0.906 253 K CB 0.819 33.298 32.500 -0.035 0.000 1.051 253 K HN 0.269 nan 8.250 nan 0.000 0.491 254 I N 0.906 121.450 120.570 -0.044 0.000 2.569 254 I HA 0.193 4.363 4.170 -0.000 0.000 0.296 254 I C -0.856 175.238 176.117 -0.039 0.000 1.028 254 I CA -0.870 60.404 61.300 -0.043 0.000 1.082 254 I CB 2.042 40.009 38.000 -0.055 0.000 1.264 254 I HN 0.395 nan 8.210 nan 0.000 0.429 255 D N 4.614 124.995 120.400 -0.032 0.000 2.308 255 D HA 0.453 5.092 4.640 -0.000 0.000 0.242 255 D C -0.792 175.489 176.300 -0.030 0.000 1.059 255 D CA -0.122 53.862 54.000 -0.027 0.000 0.830 255 D CB 2.506 43.296 40.800 -0.017 0.000 1.161 255 D HN 0.012 nan 8.370 nan 0.000 0.494 256 V N 1.893 121.787 119.914 -0.033 0.000 2.417 256 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 256 V C 0.196 176.280 176.094 -0.018 0.000 1.024 256 V CA -0.778 61.498 62.300 -0.039 0.000 0.861 256 V CB 1.594 33.383 31.823 -0.057 0.000 0.985 256 V HN 0.605 nan 8.190 nan 0.000 0.436 257 S N 6.877 122.574 115.700 -0.005 0.000 2.437 257 S HA 0.842 5.312 4.470 -0.000 0.000 0.305 257 S C -0.618 174.000 174.600 0.029 0.000 1.109 257 S CA -0.561 57.647 58.200 0.014 0.000 1.099 257 S CB 0.929 64.142 63.200 0.022 0.000 1.004 257 S HN 0.732 nan 8.310 nan 0.000 0.475 258 I N 0.181 120.770 120.570 0.031 0.000 3.145 258 I HA 0.871 5.040 4.170 -0.000 0.000 0.313 258 I C -0.916 175.228 176.117 0.045 0.000 1.122 258 I CA -1.168 60.160 61.300 0.047 0.000 0.987 258 I CB 2.280 40.301 38.000 0.035 0.000 1.236 258 I HN 0.895 nan 8.210 nan 0.000 0.453 259 E N 1.916 122.148 120.200 0.052 0.000 2.422 259 E HA 0.596 4.946 4.350 -0.000 0.000 0.280 259 E C -1.523 175.092 176.600 0.024 0.000 1.091 259 E CA -1.203 55.219 56.400 0.037 0.000 0.849 259 E CB 1.495 31.222 29.700 0.045 0.000 1.353 259 E HN 0.926 nan 8.360 nan 0.000 0.449 260 A N 0.742 123.563 122.820 0.001 0.000 2.498 260 A HA 0.446 4.766 4.320 -0.000 0.000 0.239 260 A C 1.307 178.855 177.584 -0.060 0.000 1.068 260 A CA 0.585 52.600 52.037 -0.037 0.000 0.766 260 A CB 0.284 19.264 19.000 -0.034 0.000 1.003 260 A HN 0.907 nan 8.150 nan 0.000 0.497 261 A N 2.455 125.165 122.820 -0.184 0.000 1.892 261 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 261 A C 2.480 179.992 177.584 -0.122 0.000 1.188 261 A CA 2.548 54.373 52.037 -0.352 0.000 0.631 261 A CB -1.110 17.390 19.000 -0.834 0.000 0.822 261 A HN 0.910 nan 8.150 nan 0.000 0.447 262 S N -1.911 113.730 115.700 -0.099 0.000 2.359 262 S HA 0.116 4.586 4.470 -0.000 0.000 0.223 262 S C 1.679 176.285 174.600 0.010 0.000 1.039 262 S CA 1.962 60.145 58.200 -0.029 0.000 1.042 262 S CB -0.253 62.928 63.200 -0.031 0.000 0.915 262 S HN 1.383 nan 8.310 nan 0.000 0.439 263 G N -0.563 108.241 108.800 0.007 0.000 3.617 263 G HA2 0.144 4.103 3.960 -0.000 0.000 0.217 263 G HA3 0.144 4.103 3.960 -0.000 0.000 0.217 263 G C 0.410 175.321 174.900 0.019 0.000 0.967 263 G CA 0.002 45.117 45.100 0.026 0.000 0.878 263 G HN 0.746 nan 8.290 nan 0.000 0.439 264 G N 1.176 109.980 108.800 0.007 0.000 2.518 264 G HA2 0.363 4.323 3.960 -0.000 0.000 0.284 264 G HA3 0.363 4.323 3.960 -0.000 0.000 0.284 264 G C 0.566 175.471 174.900 0.009 0.000 1.362 264 G CA 0.423 45.527 45.100 0.006 0.000 1.065 264 G HN 1.235 nan 8.290 nan 0.000 0.561 265 K N -1.004 119.400 120.400 0.006 0.000 3.097 265 K HA -0.031 4.289 4.320 -0.000 0.000 0.267 265 K C 0.156 176.763 176.600 0.012 0.000 1.030 265 K CA 0.558 56.850 56.287 0.008 0.000 1.087 265 K CB -1.422 31.081 32.500 0.004 0.000 1.217 265 K HN 0.734 nan 8.250 nan 0.000 0.483 266 A N 3.636 126.465 122.820 0.015 0.000 2.302 266 A HA 0.486 4.806 4.320 -0.000 0.000 0.285 266 A C 0.171 177.764 177.584 0.015 0.000 1.105 266 A CA -0.075 51.974 52.037 0.020 0.000 0.816 266 A CB 0.519 19.532 19.000 0.022 0.000 1.067 266 A HN 0.901 nan 8.150 nan 0.000 0.489 267 E N -0.962 119.248 120.200 0.016 0.000 2.432 267 E HA 0.589 4.939 4.350 -0.000 0.000 0.279 267 E C -1.933 174.672 176.600 0.009 0.000 1.099 267 E CA -0.944 55.462 56.400 0.011 0.000 0.859 267 E CB 1.405 31.110 29.700 0.009 0.000 1.402 267 E HN 0.399 nan 8.360 nan 0.000 0.451 268 V N 1.810 121.727 119.914 0.004 0.000 2.577 268 V HA 0.468 4.588 4.120 -0.000 0.000 0.303 268 V C -0.268 175.822 176.094 -0.006 0.000 1.042 268 V CA -0.695 61.605 62.300 -0.000 0.000 0.872 268 V CB 1.440 33.262 31.823 -0.001 0.000 0.998 268 V HN 0.651 nan 8.190 nan 0.000 0.423 269 I N 1.265 121.828 120.570 -0.011 0.000 2.530 269 I HA 0.766 4.936 4.170 -0.000 0.000 0.297 269 I C -0.226 175.876 176.117 -0.025 0.000 1.011 269 I CA -0.253 61.037 61.300 -0.017 0.000 1.107 269 I CB 2.256 40.246 38.000 -0.017 0.000 1.285 269 I HN 0.454 nan 8.210 nan 0.000 0.436 270 T N 4.566 119.104 114.554 -0.027 0.000 2.943 270 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 270 T C -0.184 174.491 174.700 -0.042 0.000 1.015 270 T CA -0.410 61.670 62.100 -0.033 0.000 1.042 270 T CB 1.561 70.413 68.868 -0.028 0.000 1.055 270 T HN 0.979 nan 8.240 nan 0.000 0.500 271 C N -0.016 119.253 119.300 -0.051 0.000 3.321 271 C HA 0.619 5.079 4.460 -0.000 0.000 0.329 271 C C 0.114 175.061 174.990 -0.071 0.000 1.394 271 C CA -0.834 58.145 59.018 -0.065 0.000 1.291 271 C CB 0.681 28.376 27.740 -0.075 0.000 1.606 271 C HN 0.788 nan 8.230 nan 0.000 0.463 272 D N 0.017 120.365 120.400 -0.086 0.000 2.355 272 D HA 0.295 4.935 4.640 -0.000 0.000 0.206 272 D C 0.173 176.403 176.300 -0.116 0.000 1.010 272 D CA 0.709 54.654 54.000 -0.092 0.000 0.875 272 D CB 0.500 41.242 40.800 -0.096 0.000 0.966 272 D HN 0.497 nan 8.370 nan 0.000 0.512 273 V N 1.223 121.056 119.914 -0.135 0.000 2.733 273 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 273 V C -1.517 174.493 176.094 -0.140 0.000 1.084 273 V CA -1.017 61.188 62.300 -0.159 0.000 0.905 273 V CB 2.682 34.361 31.823 -0.240 0.000 1.010 273 V HN -0.079 nan 8.190 nan 0.000 0.424 274 L N 5.964 127.115 121.223 -0.121 0.000 2.298 274 L HA 0.708 5.048 4.340 -0.000 0.000 0.284 274 L C -0.914 175.896 176.870 -0.099 0.000 1.013 274 L CA -0.364 54.412 54.840 -0.107 0.000 0.824 274 L CB 1.379 43.377 42.059 -0.101 0.000 1.221 274 L HN 0.657 nan 8.230 nan 0.000 0.418 275 L N 6.886 128.058 121.223 -0.085 0.000 2.257 275 L HA 0.546 4.886 4.340 -0.000 0.000 0.290 275 L C -0.989 175.861 176.870 -0.033 0.000 1.044 275 L CA -0.077 54.731 54.840 -0.052 0.000 0.810 275 L CB 1.328 43.371 42.059 -0.027 0.000 1.193 275 L HN 0.402 nan 8.230 nan 0.000 0.425 276 V N 5.331 125.230 119.914 -0.024 0.000 2.364 276 V HA 0.360 4.479 4.120 -0.000 0.000 0.272 276 V C -0.035 176.085 176.094 0.043 0.000 1.036 276 V CA -0.284 62.010 62.300 -0.010 0.000 0.880 276 V CB 0.716 32.535 31.823 -0.006 0.000 0.991 276 V HN 1.011 nan 8.190 nan 0.000 0.460 277 C N 4.189 123.529 119.300 0.066 0.000 3.355 277 C HA 0.444 4.904 4.460 -0.000 0.000 0.287 277 C C 0.874 175.931 174.990 0.112 0.000 1.036 277 C CA -0.851 58.222 59.018 0.092 0.000 1.246 277 C CB -1.103 26.692 27.740 0.091 0.000 1.754 277 C HN 0.854 nan 8.230 nan 0.000 0.592 278 I N 0.067 120.718 120.570 0.134 0.000 3.578 278 I HA 0.621 4.791 4.170 -0.000 0.000 0.295 278 I C 0.869 177.050 176.117 0.106 0.000 1.280 278 I CA 0.803 62.189 61.300 0.143 0.000 1.347 278 I CB 0.001 38.125 38.000 0.207 0.000 1.051 278 I HN 0.878 nan 8.210 nan 0.000 0.460 279 G N 1.022 109.879 108.800 0.096 0.000 2.341 279 G HA2 0.374 4.333 3.960 -0.000 0.000 0.293 279 G HA3 0.374 4.333 3.960 -0.000 0.000 0.293 279 G C -1.515 173.428 174.900 0.071 0.000 1.298 279 G CA -1.080 44.067 45.100 0.079 0.000 0.868 279 G HN 0.162 nan 8.290 nan 0.000 0.540 280 R N -0.547 119.991 120.500 0.063 0.000 2.795 280 R HA 0.771 5.111 4.340 -0.000 0.000 0.275 280 R C -0.175 176.160 176.300 0.058 0.000 0.981 280 R CA -0.995 55.140 56.100 0.060 0.000 0.917 280 R CB 2.649 32.981 30.300 0.055 0.000 1.202 280 R HN 0.874 nan 8.270 nan 0.000 0.469 281 R N 0.351 120.892 120.500 0.068 0.000 2.808 281 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 281 R C -3.031 173.328 176.300 0.099 0.000 0.995 281 R CA -2.304 53.839 56.100 0.071 0.000 0.917 281 R CB 1.451 31.790 30.300 0.066 0.000 1.217 281 R HN 0.226 nan 8.270 nan 0.000 0.471 282 P HA -0.045 nan 4.420 nan 0.000 0.265 282 P C -1.398 176.004 177.300 0.169 0.000 1.187 282 P CA 0.180 63.343 63.100 0.105 0.000 0.766 282 P CB 0.192 31.927 31.700 0.059 0.000 0.820 283 F N 3.081 123.043 119.950 0.020 0.000 2.460 283 F HA 0.438 4.965 4.527 -0.000 0.000 0.341 283 F C 0.322 176.139 175.800 0.028 0.000 1.130 283 F CA -0.150 57.866 58.000 0.026 0.000 0.962 283 F CB 1.206 40.219 39.000 0.021 0.000 1.171 283 F HN 0.295 nan 8.300 nan 0.000 0.436 284 T N 1.258 115.512 114.554 -0.500 0.000 3.332 284 T HA 0.179 4.529 4.350 -0.000 0.000 0.304 284 T C 0.180 174.620 174.700 -0.433 0.000 0.971 284 T CA -0.561 61.327 62.100 -0.354 0.000 0.954 284 T CB -0.278 68.506 68.868 -0.141 0.000 1.175 284 T HN 0.529 nan 8.240 nan 0.000 0.519 285 K N 2.356 122.269 120.400 -0.811 0.000 2.484 285 K HA 0.020 4.339 4.320 -0.000 0.000 0.280 285 K C 0.049 176.584 176.600 -0.109 0.000 1.013 285 K CA 0.542 56.570 56.287 -0.432 0.000 1.029 285 K CB -0.217 32.015 32.500 -0.446 0.000 0.902 285 K HN 0.501 nan 8.250 nan 0.000 0.481 286 N N 2.199 120.866 118.700 -0.054 0.000 2.716 286 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 286 N C 0.149 175.722 175.510 0.106 0.000 1.033 286 N CA 0.204 53.251 53.050 -0.005 0.000 0.727 286 N CB -0.542 37.877 38.487 -0.113 0.000 0.950 286 N HN 0.426 nan 8.380 nan 0.000 0.541 287 L N -0.797 120.461 121.223 0.058 0.000 2.513 287 L HA 0.287 4.627 4.340 -0.000 0.000 0.222 287 L C 1.537 178.433 176.870 0.043 0.000 1.096 287 L CA 1.808 56.692 54.840 0.073 0.000 0.857 287 L CB 0.157 42.224 42.059 0.012 0.000 1.026 287 L HN 0.396 nan 8.230 nan 0.000 0.469 288 G N -1.076 107.734 108.800 0.017 0.000 2.141 288 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.231 288 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.231 288 G C 0.964 175.863 174.900 -0.002 0.000 0.984 288 G CA 0.464 45.569 45.100 0.008 0.000 0.660 288 G HN 0.345 nan 8.290 nan 0.000 0.525 289 L N -0.361 120.856 121.223 -0.010 0.000 2.046 289 L HA -0.031 4.308 4.340 -0.000 0.000 0.208 289 L C 2.692 179.552 176.870 -0.017 0.000 1.077 289 L CA 2.028 56.859 54.840 -0.014 0.000 0.747 289 L CB -0.344 41.702 42.059 -0.021 0.000 0.896 289 L HN 0.343 nan 8.230 nan 0.000 0.432 290 E N 1.062 121.251 120.200 -0.020 0.000 2.051 290 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 290 E C 1.917 178.508 176.600 -0.015 0.000 0.991 290 E CA 1.650 58.039 56.400 -0.019 0.000 0.799 290 E CB -0.025 29.662 29.700 -0.021 0.000 0.748 290 E HN 0.413 nan 8.360 nan 0.000 0.449 291 E N -0.160 120.032 120.200 -0.013 0.000 2.204 291 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 291 E C 1.946 178.540 176.600 -0.010 0.000 0.990 291 E CA 0.948 57.341 56.400 -0.010 0.000 0.821 291 E CB -0.145 29.551 29.700 -0.008 0.000 0.750 291 E HN 0.302 nan 8.360 nan 0.000 0.477 292 L N -0.991 120.226 121.223 -0.010 0.000 2.492 292 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 292 L C 1.370 178.231 176.870 -0.014 0.000 1.132 292 L CA 0.478 55.312 54.840 -0.011 0.000 0.850 292 L CB -0.046 42.008 42.059 -0.009 0.000 0.966 292 L HN 0.401 nan 8.230 nan 0.000 0.454 293 G N 0.672 109.463 108.800 -0.015 0.000 2.157 293 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 293 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 293 G C 0.223 175.112 174.900 -0.019 0.000 0.979 293 G CA -0.301 44.789 45.100 -0.017 0.000 0.650 293 G HN 0.266 nan 8.290 nan 0.000 0.529 294 I N 1.612 122.170 120.570 -0.020 0.000 2.308 294 I HA 0.313 4.483 4.170 -0.000 0.000 0.293 294 I C 0.442 176.547 176.117 -0.021 0.000 1.078 294 I CA -0.330 60.957 61.300 -0.021 0.000 1.292 294 I CB 0.689 38.677 38.000 -0.020 0.000 1.423 294 I HN 0.102 nan 8.210 nan 0.000 0.493 295 E N 5.735 125.922 120.200 -0.021 0.000 2.313 295 E HA 0.458 4.808 4.350 -0.000 0.000 0.272 295 E C -0.407 176.181 176.600 -0.020 0.000 1.038 295 E CA -0.432 55.956 56.400 -0.020 0.000 0.863 295 E CB 1.320 31.008 29.700 -0.020 0.000 1.060 295 E HN 0.430 nan 8.360 nan 0.000 0.402 296 L N 1.753 122.964 121.223 -0.020 0.000 2.479 296 L HA 0.293 4.633 4.340 -0.000 0.000 0.249 296 L C 0.367 177.227 176.870 -0.017 0.000 1.178 296 L CA -0.721 54.108 54.840 -0.018 0.000 0.811 296 L CB 0.400 42.448 42.059 -0.019 0.000 1.187 296 L HN 0.647 nan 8.230 nan 0.000 0.480 297 D N -1.148 119.243 120.400 -0.015 0.000 2.437 297 D HA 0.266 4.906 4.640 -0.000 0.000 0.259 297 D C -2.162 174.129 176.300 -0.014 0.000 1.118 297 D CA -2.032 51.959 54.000 -0.016 0.000 1.017 297 D CB 0.203 40.992 40.800 -0.017 0.000 1.120 297 D HN 0.090 nan 8.370 nan 0.000 0.541 298 P HA -0.112 nan 4.420 nan 0.000 0.217 298 P C 1.075 178.368 177.300 -0.013 0.000 1.148 298 P CA 1.166 64.257 63.100 -0.014 0.000 0.828 298 P CB 0.170 31.861 31.700 -0.015 0.000 0.783 299 R N -1.936 118.558 120.500 -0.010 0.000 2.299 299 R HA 0.168 4.507 4.340 -0.000 0.000 0.197 299 R C 1.426 177.726 176.300 -0.000 0.000 0.971 299 R CA 1.019 57.116 56.100 -0.005 0.000 1.030 299 R CB -0.778 29.520 30.300 -0.004 0.000 0.932 299 R HN 0.260 nan 8.270 nan 0.000 0.477 300 G N 1.547 110.345 108.800 -0.004 0.000 2.141 300 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 300 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 300 G C 0.085 174.986 174.900 0.002 0.000 0.984 300 G CA -0.036 45.062 45.100 -0.003 0.000 0.660 300 G HN 0.283 nan 8.290 nan 0.000 0.525 301 R N -0.639 119.863 120.500 0.002 0.000 2.546 301 R HA 0.697 5.037 4.340 -0.000 0.000 0.266 301 R C 0.452 176.754 176.300 0.003 0.000 1.086 301 R CA -0.664 55.441 56.100 0.008 0.000 1.160 301 R CB 0.884 31.188 30.300 0.006 0.000 1.138 301 R HN 0.237 nan 8.270 nan 0.000 0.567 302 I N 2.817 123.395 120.570 0.014 0.000 2.315 302 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 302 I C -2.054 174.067 176.117 0.007 0.000 1.006 302 I CA -2.306 59.000 61.300 0.010 0.000 1.265 302 I CB 1.464 39.479 38.000 0.025 0.000 1.387 302 I HN 0.193 nan 8.210 nan 0.000 0.475 303 P HA 0.095 nan 4.420 nan 0.000 0.267 303 P C -0.882 176.400 177.300 -0.030 0.000 1.209 303 P CA -0.022 63.063 63.100 -0.025 0.000 0.763 303 P CB 0.643 32.325 31.700 -0.030 0.000 0.816 304 V N 0.474 120.358 119.914 -0.049 0.000 3.078 304 V HA 0.673 4.793 4.120 -0.000 0.000 0.311 304 V C -0.202 175.807 176.094 -0.142 0.000 1.138 304 V CA -1.130 61.127 62.300 -0.072 0.000 1.007 304 V CB 2.141 33.957 31.823 -0.013 0.000 1.045 304 V HN 0.491 nan 8.190 nan 0.000 0.432 305 N N 0.508 119.119 118.700 -0.149 0.000 2.443 305 N HA 0.252 4.991 4.740 -0.000 0.000 0.294 305 N C 0.895 176.249 175.510 -0.260 0.000 1.289 305 N CA 0.337 53.290 53.050 -0.160 0.000 0.966 305 N CB -0.390 38.036 38.487 -0.102 0.000 1.122 305 N HN 0.641 nan 8.380 nan 0.000 0.569 306 T N -0.434 114.015 114.554 -0.174 0.000 2.918 306 T HA -0.076 4.274 4.350 -0.000 0.000 0.271 306 T C 1.005 175.620 174.700 -0.141 0.000 1.104 306 T CA 1.249 63.250 62.100 -0.164 0.000 1.114 306 T CB -0.245 68.591 68.868 -0.054 0.000 0.855 306 T HN 0.420 nan 8.240 nan 0.000 0.518 307 R N -0.780 119.684 120.500 -0.060 0.000 2.543 307 R HA 0.306 4.646 4.340 -0.000 0.000 0.323 307 R C -0.239 176.313 176.300 0.420 0.000 1.002 307 R CA -0.244 55.972 56.100 0.193 0.000 1.106 307 R CB 0.342 30.771 30.300 0.214 0.000 1.280 307 R HN 0.245 nan 8.270 nan 0.000 0.549 308 F N 0.379 120.410 119.950 0.134 0.000 2.926 308 F HA -0.284 4.243 4.527 -0.000 0.000 0.288 308 F C -0.125 175.746 175.800 0.118 0.000 0.756 308 F CA 0.569 58.659 58.000 0.151 0.000 1.292 308 F CB -1.917 37.195 39.000 0.187 0.000 1.482 308 F HN 0.152 nan 8.300 nan 0.000 0.400 309 Q N 0.496 120.297 119.800 0.002 0.000 2.261 309 Q HA 0.487 4.827 4.340 -0.000 0.000 0.252 309 Q C 0.946 176.842 176.000 -0.174 0.000 0.915 309 Q CA 0.148 55.752 55.803 -0.332 0.000 0.915 309 Q CB 1.594 30.090 28.738 -0.403 0.000 1.204 309 Q HN 0.378 nan 8.270 nan 0.000 0.421 310 T N -1.826 112.625 114.554 -0.171 0.000 2.833 310 T HA 0.085 4.435 4.350 -0.000 0.000 0.312 310 T C 1.124 175.759 174.700 -0.108 0.000 1.085 310 T CA -0.540 61.504 62.100 -0.094 0.000 0.955 310 T CB 0.603 69.435 68.868 -0.059 0.000 1.353 310 T HN 0.733 nan 8.240 nan 0.000 0.544 311 K N -0.404 119.951 120.400 -0.074 0.000 2.152 311 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 311 K C 0.445 177.001 176.600 -0.074 0.000 1.048 311 K CA 1.006 57.254 56.287 -0.065 0.000 0.933 311 K CB -0.448 32.024 32.500 -0.046 0.000 0.721 311 K HN 0.670 nan 8.250 nan 0.000 0.447 312 I N 2.566 123.088 120.570 -0.079 0.000 2.291 312 I HA 0.109 4.279 4.170 -0.000 0.000 0.292 312 I C -1.884 174.153 176.117 -0.132 0.000 1.064 312 I CA -2.331 58.921 61.300 -0.079 0.000 1.269 312 I CB 1.370 39.337 38.000 -0.054 0.000 1.418 312 I HN -0.025 nan 8.210 nan 0.000 0.485 313 P HA -0.266 nan 4.420 nan 0.000 0.222 313 P C 0.864 177.995 177.300 -0.282 0.000 1.155 313 P CA 1.600 64.586 63.100 -0.190 0.000 0.890 313 P CB -0.067 31.575 31.700 -0.096 0.000 0.790 314 N N -1.267 117.346 118.700 -0.144 0.000 2.280 314 N HA 0.007 4.747 4.740 -0.000 0.000 0.192 314 N C 0.085 175.606 175.510 0.019 0.000 1.109 314 N CA 0.210 53.248 53.050 -0.020 0.000 0.855 314 N CB -0.154 38.358 38.487 0.040 0.000 0.974 314 N HN 0.198 nan 8.380 nan 0.000 0.482 315 I N 1.790 122.285 120.570 -0.126 0.000 2.328 315 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 315 I C -0.711 175.348 176.117 -0.096 0.000 1.012 315 I CA -0.755 60.535 61.300 -0.017 0.000 1.195 315 I CB 0.409 38.395 38.000 -0.024 0.000 1.350 315 I HN -0.150 nan 8.210 nan 0.000 0.464 316 Y N 4.537 124.845 120.300 0.013 0.000 2.596 316 Y HA 0.809 5.359 4.550 -0.000 0.000 0.326 316 Y C 0.369 176.303 175.900 0.056 0.000 1.167 316 Y CA -1.023 57.106 58.100 0.049 0.000 1.246 316 Y CB 1.565 40.055 38.460 0.050 0.000 1.347 316 Y HN 0.542 nan 8.280 nan 0.000 0.515 317 A N 1.380 124.374 122.820 0.290 0.000 2.547 317 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 317 A C -1.302 176.418 177.584 0.228 0.000 1.056 317 A CA -0.547 51.607 52.037 0.194 0.000 0.688 317 A CB 1.043 20.126 19.000 0.140 0.000 1.282 317 A HN 0.777 nan 8.150 nan 0.000 0.400 318 I N -1.359 119.277 120.570 0.110 0.000 3.279 318 I HA 0.944 5.114 4.170 -0.000 0.000 0.315 318 I C 0.453 176.586 176.117 0.027 0.000 1.225 318 I CA -0.312 61.009 61.300 0.035 0.000 0.947 318 I CB 1.853 39.757 38.000 -0.160 0.000 1.293 318 I HN 2.180 nan 8.210 nan 0.000 0.468 319 G N 2.204 111.008 108.800 0.007 0.000 2.542 319 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 319 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 319 G C -0.096 174.824 174.900 0.033 0.000 1.286 319 G CA 0.526 45.630 45.100 0.007 0.000 0.904 319 G HN 0.853 nan 8.290 nan 0.000 0.577 320 D N 0.364 120.780 120.400 0.027 0.000 2.384 320 D HA 0.021 4.661 4.640 -0.000 0.000 0.222 320 D C 2.481 178.811 176.300 0.050 0.000 0.976 320 D CA 1.548 55.568 54.000 0.034 0.000 0.915 320 D CB -0.131 40.690 40.800 0.036 0.000 0.896 320 D HN 0.975 nan 8.370 nan 0.000 0.523 321 V N -2.256 117.694 119.914 0.060 0.000 3.650 321 V HA 0.128 4.248 4.120 -0.000 0.000 0.271 321 V C 0.925 177.054 176.094 0.059 0.000 1.281 321 V CA -0.040 62.298 62.300 0.063 0.000 1.120 321 V CB -0.599 31.264 31.823 0.068 0.000 0.856 321 V HN -0.017 nan 8.190 nan 0.000 0.443 322 V N -2.531 117.426 119.914 0.071 0.000 3.204 322 V HA 0.982 5.101 4.120 -0.000 0.000 0.316 322 V C 0.561 176.675 176.094 0.032 0.000 1.160 322 V CA -0.823 61.523 62.300 0.076 0.000 1.044 322 V CB 1.045 32.968 31.823 0.166 0.000 1.136 322 V HN 0.496 nan 8.190 nan 0.000 0.455 323 A N 0.061 122.878 122.820 -0.005 0.000 2.448 323 A HA 0.694 5.014 4.320 -0.000 0.000 0.239 323 A C 0.878 178.359 177.584 -0.170 0.000 1.080 323 A CA 0.718 52.706 52.037 -0.081 0.000 0.779 323 A CB -0.669 18.265 19.000 -0.110 0.000 1.026 323 A HN 2.957 nan 8.150 nan 0.000 0.499 324 G N 0.472 109.126 108.800 -0.243 0.000 2.440 324 G HA2 0.205 4.165 3.960 -0.000 0.000 0.684 324 G HA3 0.205 4.165 3.960 -0.000 0.000 0.684 324 G C -3.060 171.743 174.900 -0.161 0.000 1.309 324 G CA -0.430 44.436 45.100 -0.389 0.000 0.931 324 G HN 0.941 nan 8.290 nan 0.000 0.612 325 P HA 0.251 nan 4.420 nan 0.000 0.268 325 P C 0.344 177.624 177.300 -0.033 0.000 1.204 325 P CA 0.052 63.135 63.100 -0.029 0.000 0.768 325 P CB 0.395 32.098 31.700 0.007 0.000 0.842 326 M N 3.892 123.483 119.600 -0.014 0.000 3.436 326 M HA 0.195 4.675 4.480 -0.000 0.000 0.240 326 M C -0.140 176.139 176.300 -0.034 0.000 1.469 326 M CA 0.488 55.781 55.300 -0.013 0.000 1.622 326 M CB -0.799 31.810 32.600 0.014 0.000 1.098 326 M HN 0.209 nan 8.290 nan 0.000 0.568 327 L N -0.527 120.636 121.223 -0.101 0.000 2.354 327 L HA 0.623 4.963 4.340 -0.000 0.000 0.264 327 L C 1.130 177.871 176.870 -0.215 0.000 1.008 327 L CA -0.655 54.077 54.840 -0.181 0.000 0.819 327 L CB 1.767 43.599 42.059 -0.378 0.000 1.339 327 L HN 0.476 nan 8.230 nan 0.000 0.420 328 A N 0.676 123.423 122.820 -0.121 0.000 1.865 328 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 328 A C 1.980 179.519 177.584 -0.075 0.000 1.191 328 A CA 1.913 53.923 52.037 -0.043 0.000 0.623 328 A CB -0.892 18.143 19.000 0.060 0.000 0.826 328 A HN 0.950 nan 8.150 nan 0.000 0.444 329 H N -1.029 118.032 119.070 -0.016 0.000 2.491 329 H HA -0.008 4.548 4.556 -0.000 0.000 0.290 329 H C 1.695 177.005 175.328 -0.030 0.000 1.050 329 H CA 1.342 57.371 56.048 -0.032 0.000 1.309 329 H CB -0.344 29.400 29.762 -0.030 0.000 1.392 329 H HN 0.457 nan 8.280 nan 0.000 0.554 330 K N 1.877 122.057 120.400 -0.368 0.000 2.057 330 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 330 K C 2.285 178.837 176.600 -0.080 0.000 1.050 330 K CA 1.181 57.380 56.287 -0.147 0.000 0.935 330 K CB -0.298 32.132 32.500 -0.116 0.000 0.715 330 K HN 0.285 nan 8.250 nan 0.000 0.439 331 A N 1.688 124.448 122.820 -0.100 0.000 1.858 331 A HA -0.183 4.136 4.320 -0.000 0.000 0.216 331 A C 2.040 179.549 177.584 -0.125 0.000 1.190 331 A CA 1.828 53.811 52.037 -0.089 0.000 0.617 331 A CB -0.608 18.351 19.000 -0.070 0.000 0.827 331 A HN 0.526 nan 8.150 nan 0.000 0.443 332 E N -0.547 119.582 120.200 -0.119 0.000 2.070 332 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 332 E C 1.733 178.249 176.600 -0.139 0.000 1.004 332 E CA 1.480 57.793 56.400 -0.146 0.000 0.805 332 E CB -0.260 29.368 29.700 -0.120 0.000 0.744 332 E HN 0.631 nan 8.360 nan 0.000 0.451 333 D N 0.290 120.625 120.400 -0.109 0.000 2.097 333 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 333 D C 1.739 177.927 176.300 -0.187 0.000 0.989 333 D CA 1.069 55.000 54.000 -0.116 0.000 0.827 333 D CB 0.081 40.828 40.800 -0.089 0.000 0.966 333 D HN 0.188 nan 8.370 nan 0.000 0.456 334 E N -0.394 119.661 120.200 -0.242 0.000 2.077 334 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 334 E C 2.208 178.527 176.600 -0.469 0.000 0.989 334 E CA 0.922 57.027 56.400 -0.493 0.000 0.800 334 E CB -0.232 29.148 29.700 -0.533 0.000 0.746 334 E HN 0.323 nan 8.360 nan 0.000 0.452 335 G N 1.587 110.208 108.800 -0.299 0.000 2.446 335 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 335 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 335 G C 1.617 176.397 174.900 -0.199 0.000 1.168 335 G CA 0.734 45.693 45.100 -0.236 0.000 0.771 335 G HN 0.113 nan 8.290 nan 0.000 0.551 336 I N 1.519 121.988 120.570 -0.168 0.000 2.142 336 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 336 I C 2.778 178.833 176.117 -0.102 0.000 1.078 336 I CA 1.442 62.672 61.300 -0.117 0.000 1.343 336 I CB -0.251 37.693 38.000 -0.095 0.000 1.046 336 I HN 0.352 nan 8.210 nan 0.000 0.405 337 I N -1.623 118.873 120.570 -0.123 0.000 2.546 337 I HA -0.231 3.939 4.170 -0.000 0.000 0.255 337 I C 2.775 178.857 176.117 -0.057 0.000 1.163 337 I CA 1.122 62.383 61.300 -0.065 0.000 1.457 337 I CB -0.824 37.159 38.000 -0.027 0.000 1.092 337 I HN 0.328 nan 8.210 nan 0.000 0.434 338 C N 1.137 120.337 119.300 -0.167 0.000 2.429 338 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 338 C C 2.780 177.667 174.990 -0.172 0.000 1.262 338 C CA 1.016 59.954 59.018 -0.133 0.000 1.733 338 C CB -0.847 26.739 27.740 -0.257 0.000 2.010 338 C HN 0.495 nan 8.230 nan 0.000 0.483 339 V N 0.699 120.516 119.914 -0.162 0.000 2.453 339 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 339 V C 2.454 178.563 176.094 0.025 0.000 1.048 339 V CA 2.156 64.387 62.300 -0.115 0.000 1.049 339 V CB -0.667 31.117 31.823 -0.065 0.000 0.672 339 V HN 0.591 nan 8.190 nan 0.000 0.457 340 E N 0.198 120.407 120.200 0.014 0.000 2.204 340 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 340 E C 2.259 178.896 176.600 0.061 0.000 0.989 340 E CA 1.054 57.480 56.400 0.043 0.000 0.824 340 E CB -0.340 29.370 29.700 0.017 0.000 0.756 340 E HN 0.656 nan 8.360 nan 0.000 0.477 341 G N 1.139 109.969 108.800 0.050 0.000 2.402 341 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 341 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 341 G C 1.551 176.506 174.900 0.091 0.000 1.162 341 G CA 0.446 45.596 45.100 0.084 0.000 0.777 341 G HN 0.096 nan 8.290 nan 0.000 0.539 342 M N 0.934 120.552 119.600 0.030 0.000 2.202 342 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 342 M C 2.661 179.122 176.300 0.269 0.000 1.063 342 M CA 1.265 56.591 55.300 0.044 0.000 1.097 342 M CB -0.066 32.389 32.600 -0.241 0.000 1.382 342 M HN 0.285 nan 8.290 nan 0.000 0.413 343 A N -0.293 122.703 122.820 0.293 0.000 2.238 343 A HA 0.400 4.720 4.320 -0.000 0.000 0.208 343 A C 1.642 179.283 177.584 0.095 0.000 1.177 343 A CA 0.760 52.919 52.037 0.204 0.000 0.804 343 A CB -0.715 18.320 19.000 0.058 0.000 0.823 343 A HN 0.663 nan 8.150 nan 0.000 0.482 344 G N -2.130 106.732 108.800 0.103 0.000 2.176 344 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.232 344 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.232 344 G C 0.722 175.654 174.900 0.054 0.000 0.986 344 G CA 0.179 45.321 45.100 0.071 0.000 0.643 344 G HN 1.324 nan 8.290 nan 0.000 0.522 345 G N -0.044 108.789 108.800 0.055 0.000 2.580 345 G HA2 0.736 4.696 3.960 -0.000 0.000 0.278 345 G HA3 0.736 4.696 3.960 -0.000 0.000 0.278 345 G C 0.574 175.508 174.900 0.056 0.000 1.212 345 G CA 0.460 45.586 45.100 0.043 0.000 0.939 345 G HN 1.505 nan 8.290 nan 0.000 0.513 346 A N -1.105 121.744 122.820 0.049 0.000 2.371 346 A HA 0.532 4.851 4.320 -0.000 0.000 0.257 346 A C -0.244 177.396 177.584 0.093 0.000 1.089 346 A CA -0.233 51.842 52.037 0.063 0.000 0.794 346 A CB 0.823 19.848 19.000 0.041 0.000 1.029 346 A HN 0.858 nan 8.150 nan 0.000 0.488 347 V N 4.570 124.560 119.914 0.126 0.000 2.326 347 V HA 0.405 4.525 4.120 -0.000 0.000 0.281 347 V C -0.309 175.907 176.094 0.203 0.000 1.015 347 V CA -0.262 62.139 62.300 0.168 0.000 0.823 347 V CB 0.746 32.694 31.823 0.207 0.000 1.009 347 V HN 0.970 nan 8.190 nan 0.000 0.436 348 H N 5.704 124.813 119.070 0.064 0.000 2.966 348 H HA 0.630 5.186 4.556 -0.000 0.000 0.347 348 H C -2.076 173.246 175.328 -0.010 0.000 1.048 348 H CA -0.504 55.561 56.048 0.029 0.000 1.295 348 H CB 2.328 32.092 29.762 0.004 0.000 1.744 348 H HN 0.669 nan 8.280 nan 0.000 0.513 349 I N 4.262 124.475 120.570 -0.595 0.000 2.656 349 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 349 I C -1.536 174.151 176.117 -0.717 0.000 1.144 349 I CA -0.610 60.353 61.300 -0.561 0.000 1.038 349 I CB 2.100 39.830 38.000 -0.450 0.000 1.244 349 I HN 0.527 nan 8.210 nan 0.000 0.420 350 D N 5.932 126.020 120.400 -0.522 0.000 2.460 350 D HA 0.219 4.859 4.640 -0.000 0.000 0.232 350 D C 0.083 176.244 176.300 -0.232 0.000 1.079 350 D CA -0.107 53.717 54.000 -0.293 0.000 0.864 350 D CB 0.644 41.386 40.800 -0.097 0.000 1.048 350 D HN 0.412 nan 8.370 nan 0.000 0.523 351 Y N 2.241 122.528 120.300 -0.022 0.000 2.569 351 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 351 Y C 2.067 177.981 175.900 0.023 0.000 1.144 351 Y CA 0.566 58.670 58.100 0.006 0.000 1.321 351 Y CB -0.304 38.164 38.460 0.013 0.000 0.982 351 Y HN 0.389 nan 8.280 nan 0.000 0.558 352 N N -0.830 117.949 118.700 0.132 0.000 2.396 352 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 352 N C 0.765 176.321 175.510 0.078 0.000 1.028 352 N CA 0.956 54.071 53.050 0.109 0.000 0.893 352 N CB -0.208 38.333 38.487 0.089 0.000 0.967 352 N HN 0.182 nan 8.380 nan 0.000 0.440 353 C N 0.292 119.618 119.300 0.043 0.000 2.693 353 C HA 0.402 4.862 4.460 -0.000 0.000 0.286 353 C C 0.137 175.137 174.990 0.018 0.000 1.277 353 C CA -0.721 58.312 59.018 0.025 0.000 1.705 353 C CB -1.119 26.626 27.740 0.008 0.000 1.879 353 C HN 0.038 nan 8.230 nan 0.000 0.607 354 V N 4.665 124.606 119.914 0.046 0.000 2.364 354 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 354 V C -1.697 174.422 176.094 0.041 0.000 1.036 354 V CA -1.035 61.310 62.300 0.075 0.000 0.880 354 V CB 0.948 32.843 31.823 0.120 0.000 0.991 354 V HN 0.294 nan 8.190 nan 0.000 0.460 355 P HA 0.350 nan 4.420 nan 0.000 0.276 355 P C -0.589 176.594 177.300 -0.196 0.000 1.244 355 P CA -0.337 62.669 63.100 -0.157 0.000 0.801 355 P CB 1.304 32.880 31.700 -0.206 0.000 1.006 356 S N -0.176 115.161 115.700 -0.604 0.000 2.536 356 S HA 0.619 5.088 4.470 -0.000 0.000 0.298 356 S C -0.506 173.613 174.600 -0.802 0.000 1.083 356 S CA -0.590 57.151 58.200 -0.766 0.000 0.995 356 S CB 1.462 63.811 63.200 -1.418 0.000 1.058 356 S HN 0.285 nan 8.310 nan 0.000 0.488 357 V N 2.823 122.431 119.914 -0.512 0.000 2.888 357 V HA 0.546 4.666 4.120 -0.000 0.000 0.309 357 V C -1.087 174.801 176.094 -0.344 0.000 1.114 357 V CA -0.604 61.400 62.300 -0.492 0.000 0.940 357 V CB 1.896 33.355 31.823 -0.607 0.000 1.021 357 V HN 0.820 nan 8.190 nan 0.000 0.426 358 I N 3.571 123.943 120.570 -0.331 0.000 2.410 358 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 358 I C -0.722 175.276 176.117 -0.198 0.000 1.009 358 I CA -0.486 60.754 61.300 -0.099 0.000 1.111 358 I CB 1.800 39.788 38.000 -0.020 0.000 1.262 358 I HN 0.639 nan 8.210 nan 0.000 0.443 359 Y N 3.910 124.220 120.300 0.017 0.000 2.627 359 Y HA 0.044 4.594 4.550 -0.000 0.000 0.339 359 Y C 1.659 177.576 175.900 0.029 0.000 1.137 359 Y CA -0.499 57.602 58.100 0.002 0.000 1.361 359 Y CB -0.684 37.770 38.460 -0.009 0.000 1.180 359 Y HN 0.525 nan 8.280 nan 0.000 0.512 360 T N -3.053 111.600 114.554 0.166 0.000 2.729 360 T HA 0.177 4.527 4.350 -0.000 0.000 0.298 360 T C -0.593 174.175 174.700 0.113 0.000 1.013 360 T CA -0.537 61.685 62.100 0.203 0.000 0.957 360 T CB 0.981 70.079 68.868 0.382 0.000 1.130 360 T HN 0.353 nan 8.240 nan 0.000 0.526 361 H N 1.454 120.547 119.070 0.038 0.000 2.970 361 H HA 0.445 5.001 4.556 -0.000 0.000 0.315 361 H C -2.618 172.757 175.328 0.079 0.000 0.992 361 H CA -1.798 54.215 56.048 -0.059 0.000 1.363 361 H CB 1.181 30.764 29.762 -0.298 0.000 1.532 361 H HN 0.457 nan 8.280 nan 0.000 0.514 362 P HA 0.054 nan 4.420 nan 0.000 0.272 362 P C -0.489 176.718 177.300 -0.155 0.000 1.223 362 P CA -0.230 62.657 63.100 -0.355 0.000 0.784 362 P CB 1.673 33.262 31.700 -0.186 0.000 0.923 363 E N 0.020 120.076 120.200 -0.241 0.000 2.345 363 E HA 0.386 4.736 4.350 -0.000 0.000 0.259 363 E C -0.553 175.885 176.600 -0.270 0.000 1.117 363 E CA -0.865 55.397 56.400 -0.230 0.000 0.913 363 E CB 0.891 30.442 29.700 -0.247 0.000 1.057 363 E HN 0.201 nan 8.360 nan 0.000 0.432 364 V N 0.504 120.231 119.914 -0.311 0.000 2.638 364 V HA 0.737 4.856 4.120 -0.000 0.000 0.306 364 V C -0.700 175.341 176.094 -0.087 0.000 1.052 364 V CA -0.781 61.389 62.300 -0.216 0.000 0.885 364 V CB 1.538 33.122 31.823 -0.398 0.000 0.999 364 V HN 0.773 nan 8.190 nan 0.000 0.424 365 A N 4.035 126.888 122.820 0.054 0.000 2.547 365 A HA 0.991 5.311 4.320 -0.000 0.000 0.297 365 A C -1.649 176.035 177.584 0.167 0.000 1.056 365 A CA -0.614 51.386 52.037 -0.060 0.000 0.688 365 A CB 1.657 20.543 19.000 -0.191 0.000 1.282 365 A HN 1.616 nan 8.150 nan 0.000 0.400 366 W N 0.293 121.520 121.300 -0.121 0.000 3.137 366 W HA 0.755 5.415 4.660 -0.000 0.000 0.324 366 W C -1.966 174.455 176.519 -0.164 0.000 1.253 366 W CA -1.140 56.086 57.345 -0.199 0.000 1.183 366 W CB 1.122 30.462 29.460 -0.200 0.000 1.424 366 W HN 1.015 nan 8.180 nan 0.000 0.566 367 V N 2.680 122.576 119.914 -0.030 0.000 3.012 367 V HA 0.860 4.979 4.120 -0.000 0.000 0.307 367 V C 0.282 176.397 176.094 0.036 0.000 1.166 367 V CA 0.387 62.676 62.300 -0.019 0.000 0.974 367 V CB 1.355 33.148 31.823 -0.049 0.000 1.040 367 V HN 2.204 nan 8.190 nan 0.000 0.428 368 G N 5.086 113.942 108.800 0.092 0.000 2.527 368 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.227 368 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.227 368 G C -0.760 174.236 174.900 0.160 0.000 1.291 368 G CA 0.000 45.162 45.100 0.103 0.000 0.904 368 G HN 0.899 nan 8.290 nan 0.000 0.577 369 K N 0.883 121.367 120.400 0.140 0.000 2.130 369 K HA 0.598 4.918 4.320 -0.000 0.000 0.268 369 K C 0.868 177.579 176.600 0.185 0.000 0.983 369 K CA 0.162 56.526 56.287 0.129 0.000 0.893 369 K CB 1.623 34.145 32.500 0.037 0.000 1.066 369 K HN 1.019 nan 8.250 nan 0.000 0.450 370 S N 0.687 116.426 115.700 0.066 0.000 2.655 370 S HA 0.138 4.608 4.470 -0.000 0.000 0.265 370 S C 1.034 175.472 174.600 -0.271 0.000 1.240 370 S CA -0.455 57.638 58.200 -0.179 0.000 0.986 370 S CB 1.038 64.095 63.200 -0.239 0.000 0.985 370 S HN 0.573 nan 8.310 nan 0.000 0.562 371 E N 0.466 120.447 120.200 -0.365 0.000 2.106 371 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 371 E C 1.819 178.294 176.600 -0.208 0.000 0.984 371 E CA 1.315 57.499 56.400 -0.361 0.000 0.806 371 E CB -0.175 29.403 29.700 -0.203 0.000 0.750 371 E HN 0.693 nan 8.360 nan 0.000 0.458 372 E N 1.027 121.128 120.200 -0.165 0.000 2.058 372 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 372 E C 2.006 178.559 176.600 -0.077 0.000 0.997 372 E CA 1.222 57.559 56.400 -0.104 0.000 0.801 372 E CB -0.161 29.464 29.700 -0.124 0.000 0.746 372 E HN 0.270 nan 8.360 nan 0.000 0.450 373 Q N -0.144 119.603 119.800 -0.088 0.000 2.084 373 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 373 Q C 2.278 178.250 176.000 -0.047 0.000 0.978 373 Q CA 1.056 56.830 55.803 -0.048 0.000 0.844 373 Q CB -0.161 28.562 28.738 -0.025 0.000 0.898 373 Q HN 0.298 nan 8.270 nan 0.000 0.426 374 L N 0.442 121.601 121.223 -0.107 0.000 2.093 374 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 374 L C 2.273 179.160 176.870 0.027 0.000 1.085 374 L CA 1.171 55.959 54.840 -0.087 0.000 0.755 374 L CB -0.355 41.517 42.059 -0.310 0.000 0.904 374 L HN 0.156 nan 8.230 nan 0.000 0.435 375 K N 0.474 120.902 120.400 0.047 0.000 1.985 375 K HA -0.215 4.104 4.320 -0.000 0.000 0.210 375 K C 1.991 178.620 176.600 0.049 0.000 1.047 375 K CA 1.883 58.228 56.287 0.096 0.000 0.932 375 K CB -0.247 32.304 32.500 0.084 0.000 0.716 375 K HN 0.437 nan 8.250 nan 0.000 0.439 376 E N 1.221 121.434 120.200 0.022 0.000 2.209 376 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 376 E C 1.180 177.793 176.600 0.022 0.000 0.993 376 E CA 1.359 57.769 56.400 0.017 0.000 0.819 376 E CB -0.121 29.583 29.700 0.007 0.000 0.745 376 E HN 0.408 nan 8.360 nan 0.000 0.477 377 E N 0.143 120.358 120.200 0.025 0.000 2.442 377 E HA 0.088 4.437 4.350 -0.000 0.000 0.195 377 E C 0.796 177.419 176.600 0.038 0.000 1.030 377 E CA 0.276 56.694 56.400 0.029 0.000 0.869 377 E CB 0.394 30.110 29.700 0.027 0.000 0.857 377 E HN 0.504 nan 8.360 nan 0.000 0.505 378 G N 1.747 110.576 108.800 0.048 0.000 2.171 378 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.238 378 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.238 378 G C 0.000 174.940 174.900 0.067 0.000 1.039 378 G CA -0.249 44.883 45.100 0.052 0.000 0.759 378 G HN 0.115 nan 8.290 nan 0.000 0.501 379 I N 0.362 120.989 120.570 0.096 0.000 2.353 379 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 379 I C 0.491 176.725 176.117 0.195 0.000 0.992 379 I CA -1.358 60.013 61.300 0.118 0.000 1.268 379 I CB 1.462 39.525 38.000 0.104 0.000 1.387 379 I HN 0.209 nan 8.210 nan 0.000 0.478 380 E N 7.034 127.313 120.200 0.133 0.000 2.180 380 E HA 0.317 4.667 4.350 -0.000 0.000 0.283 380 E C -1.262 175.429 176.600 0.151 0.000 1.061 380 E CA -0.034 56.418 56.400 0.086 0.000 0.861 380 E CB 0.361 30.076 29.700 0.025 0.000 1.056 380 E HN 0.380 nan 8.360 nan 0.000 0.407 381 Y N 1.541 121.845 120.300 0.006 0.000 2.634 381 Y HA 0.622 5.172 4.550 -0.000 0.000 0.340 381 Y C -0.851 175.051 175.900 0.003 0.000 1.058 381 Y CA -1.447 56.659 58.100 0.009 0.000 1.081 381 Y CB 0.951 39.420 38.460 0.014 0.000 1.295 381 Y HN 0.335 nan 8.280 nan 0.000 0.487 382 K N 0.737 121.211 120.400 0.124 0.000 2.281 382 K HA 0.861 5.181 4.320 -0.000 0.000 0.242 382 K C -1.765 174.939 176.600 0.172 0.000 0.971 382 K CA -1.076 55.235 56.287 0.039 0.000 0.834 382 K CB 2.526 35.037 32.500 0.020 0.000 1.181 382 K HN 0.523 nan 8.250 nan 0.000 0.435 383 V N 0.568 120.547 119.914 0.107 0.000 2.555 383 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 383 V C -0.104 176.034 176.094 0.073 0.000 1.038 383 V CA -0.697 61.678 62.300 0.125 0.000 0.887 383 V CB 1.759 33.655 31.823 0.122 0.000 0.991 383 V HN 0.974 nan 8.190 nan 0.000 0.434 384 G N 3.255 112.095 108.800 0.066 0.000 2.544 384 G HA2 0.709 4.669 3.960 -0.000 0.000 0.313 384 G HA3 0.709 4.669 3.960 -0.000 0.000 0.313 384 G C -1.009 173.920 174.900 0.048 0.000 1.316 384 G CA -0.598 44.533 45.100 0.052 0.000 0.944 384 G HN 0.607 nan 8.290 nan 0.000 0.489 385 K N 0.697 121.132 120.400 0.059 0.000 2.385 385 K HA 0.666 4.986 4.320 -0.000 0.000 0.248 385 K C -1.953 174.669 176.600 0.036 0.000 0.955 385 K CA -0.845 55.458 56.287 0.026 0.000 0.816 385 K CB 2.853 35.348 32.500 -0.008 0.000 1.250 385 K HN 0.383 nan 8.250 nan 0.000 0.434 386 F N 3.678 123.491 119.950 -0.228 0.000 2.689 386 F HA 0.278 4.805 4.527 -0.000 0.000 0.332 386 F C -2.645 172.864 175.800 -0.485 0.000 1.209 386 F CA -1.762 56.028 58.000 -0.349 0.000 1.028 386 F CB 1.690 40.532 39.000 -0.263 0.000 1.291 386 F HN 0.284 nan 8.300 nan 0.000 0.500 387 P HA 0.156 nan 4.420 nan 0.000 0.279 387 P C 0.454 177.483 177.300 -0.451 0.000 1.239 387 P CA -0.039 62.671 63.100 -0.651 0.000 0.789 387 P CB 0.937 32.181 31.700 -0.759 0.000 0.933 388 F N 2.135 122.051 119.950 -0.057 0.000 2.365 388 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 388 F C 2.596 178.412 175.800 0.026 0.000 1.090 388 F CA 1.609 59.646 58.000 0.062 0.000 1.408 388 F CB -1.259 37.775 39.000 0.056 0.000 1.060 388 F HN 0.364 nan 8.300 nan 0.000 0.534 389 A N -0.182 122.694 122.820 0.094 0.000 2.024 389 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 389 A C 2.191 179.806 177.584 0.051 0.000 1.164 389 A CA 1.661 53.735 52.037 0.061 0.000 0.643 389 A CB -0.952 18.052 19.000 0.007 0.000 0.806 389 A HN 0.258 nan 8.150 nan 0.000 0.451 390 A N -0.850 121.943 122.820 -0.046 0.000 2.387 390 A HA 0.197 4.517 4.320 -0.000 0.000 0.234 390 A C 0.674 178.451 177.584 0.322 0.000 1.253 390 A CA -0.244 51.815 52.037 0.037 0.000 0.894 390 A CB -0.287 18.561 19.000 -0.252 0.000 0.963 390 A HN 0.496 nan 8.150 nan 0.000 0.508 391 N N 0.120 119.039 118.700 0.365 0.000 2.438 391 N HA 0.159 4.899 4.740 -0.000 0.000 0.282 391 N C 0.475 176.139 175.510 0.256 0.000 1.037 391 N CA 0.070 53.361 53.050 0.401 0.000 0.942 391 N CB 1.312 40.080 38.487 0.468 0.000 1.136 391 N HN 0.067 nan 8.380 nan 0.000 0.481 392 S N 3.438 119.261 115.700 0.205 0.000 2.356 392 S HA -0.132 4.337 4.470 -0.000 0.000 0.223 392 S C 1.741 176.384 174.600 0.072 0.000 1.032 392 S CA 0.946 59.226 58.200 0.133 0.000 1.005 392 S CB -0.104 63.169 63.200 0.121 0.000 0.867 392 S HN 0.667 nan 8.310 nan 0.000 0.449 393 R N 1.145 121.670 120.500 0.041 0.000 2.081 393 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 393 R C 2.402 178.745 176.300 0.071 0.000 1.131 393 R CA 1.312 57.429 56.100 0.029 0.000 0.960 393 R CB -0.498 29.812 30.300 0.017 0.000 0.856 393 R HN 0.374 nan 8.270 nan 0.000 0.436 394 A N 1.130 124.023 122.820 0.122 0.000 1.883 394 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 394 A C 2.064 179.717 177.584 0.114 0.000 1.186 394 A CA 1.873 53.982 52.037 0.120 0.000 0.624 394 A CB -0.483 18.648 19.000 0.219 0.000 0.822 394 A HN 0.257 nan 8.150 nan 0.000 0.444 395 K N -0.426 120.052 120.400 0.129 0.000 2.057 395 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 395 K C 1.995 178.645 176.600 0.083 0.000 1.049 395 K CA 2.230 58.582 56.287 0.109 0.000 0.931 395 K CB -0.991 31.578 32.500 0.116 0.000 0.714 395 K HN 0.422 nan 8.250 nan 0.000 0.440 396 T N 1.272 115.869 114.554 0.072 0.000 2.759 396 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 396 T C 1.107 175.837 174.700 0.049 0.000 1.042 396 T CA 1.631 63.763 62.100 0.053 0.000 1.140 396 T CB -0.302 68.588 68.868 0.037 0.000 0.864 396 T HN 0.272 nan 8.240 nan 0.000 0.455 397 N N 0.921 119.655 118.700 0.058 0.000 2.398 397 N HA 0.320 5.060 4.740 -0.000 0.000 0.188 397 N C 0.834 176.390 175.510 0.077 0.000 1.122 397 N CA 0.626 53.713 53.050 0.061 0.000 0.866 397 N CB -0.052 38.477 38.487 0.069 0.000 0.970 397 N HN 0.427 nan 8.380 nan 0.000 0.462 398 A N 0.939 123.807 122.820 0.080 0.000 2.667 398 A HA -0.194 4.126 4.320 -0.000 0.000 0.298 398 A C -0.285 177.367 177.584 0.113 0.000 1.483 398 A CA 0.906 52.996 52.037 0.088 0.000 0.738 398 A CB -1.924 17.122 19.000 0.077 0.000 1.067 398 A HN 0.280 nan 8.150 nan 0.000 0.451 399 D N -0.126 120.342 120.400 0.112 0.000 2.429 399 D HA 0.436 5.075 4.640 -0.000 0.000 0.255 399 D C 0.889 177.235 176.300 0.077 0.000 1.257 399 D CA 0.529 54.606 54.000 0.129 0.000 0.890 399 D CB 0.258 41.151 40.800 0.155 0.000 1.267 399 D HN 0.578 nan 8.370 nan 0.000 0.521 400 T N -1.505 113.107 114.554 0.096 0.000 3.085 400 T HA 0.205 4.555 4.350 -0.000 0.000 0.264 400 T C 0.478 175.261 174.700 0.137 0.000 1.019 400 T CA -0.504 61.671 62.100 0.124 0.000 0.910 400 T CB 0.248 69.192 68.868 0.126 0.000 1.059 400 T HN 0.000 nan 8.240 nan 0.000 0.542 401 D N 2.282 122.734 120.400 0.088 0.000 2.472 401 D HA 0.444 5.084 4.640 -0.000 0.000 0.237 401 D C 1.263 177.665 176.300 0.170 0.000 1.141 401 D CA 1.909 55.967 54.000 0.095 0.000 0.875 401 D CB 0.569 41.401 40.800 0.054 0.000 1.192 401 D HN 0.611 nan 8.370 nan 0.000 0.450 402 G N 0.477 109.379 108.800 0.170 0.000 2.632 402 G HA2 0.034 3.994 3.960 -0.000 0.000 0.224 402 G HA3 0.034 3.994 3.960 -0.000 0.000 0.224 402 G C -0.374 174.655 174.900 0.216 0.000 1.341 402 G CA 0.161 45.395 45.100 0.222 0.000 0.880 402 G HN 0.798 nan 8.290 nan 0.000 0.566 403 M N -3.473 116.234 119.600 0.179 0.000 3.012 403 M HA 0.744 5.223 4.480 -0.000 0.000 0.272 403 M C -1.244 175.004 176.300 -0.086 0.000 1.187 403 M CA -1.175 54.051 55.300 -0.123 0.000 0.813 403 M CB 1.741 34.267 32.600 -0.123 0.000 1.626 403 M HN 1.025 nan 8.290 nan 0.000 0.507 404 V N 1.540 121.342 119.914 -0.185 0.000 2.459 404 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 404 V C -0.841 175.268 176.094 0.027 0.000 1.029 404 V CA -0.400 61.891 62.300 -0.015 0.000 0.874 404 V CB 1.809 33.621 31.823 -0.018 0.000 0.985 404 V HN 0.780 nan 8.190 nan 0.000 0.438 405 K N 5.553 126.012 120.400 0.099 0.000 2.463 405 K HA 0.597 4.917 4.320 -0.000 0.000 0.255 405 K C -1.437 175.249 176.600 0.143 0.000 0.942 405 K CA -0.613 55.730 56.287 0.093 0.000 0.814 405 K CB 1.231 33.776 32.500 0.076 0.000 1.122 405 K HN 0.463 nan 8.250 nan 0.000 0.425 406 I N 5.657 126.276 120.570 0.082 0.000 2.412 406 I HA 0.344 4.514 4.170 -0.000 0.000 0.296 406 I C -0.353 175.821 176.117 0.095 0.000 0.987 406 I CA -0.893 60.450 61.300 0.072 0.000 1.180 406 I CB 1.407 39.384 38.000 -0.037 0.000 1.340 406 I HN 0.627 nan 8.210 nan 0.000 0.455 407 L N 5.257 126.546 121.223 0.108 0.000 2.305 407 L HA 0.706 5.046 4.340 -0.000 0.000 0.284 407 L C 0.366 177.295 176.870 0.098 0.000 1.013 407 L CA -0.430 54.470 54.840 0.101 0.000 0.819 407 L CB 1.846 43.897 42.059 -0.014 0.000 1.227 407 L HN 0.691 nan 8.230 nan 0.000 0.417 408 G N 1.387 110.267 108.800 0.134 0.000 2.481 408 G HA2 0.355 4.315 3.960 -0.000 0.000 0.315 408 G HA3 0.355 4.315 3.960 -0.000 0.000 0.315 408 G C -1.270 173.713 174.900 0.138 0.000 1.231 408 G CA -0.390 44.773 45.100 0.105 0.000 0.968 408 G HN 0.381 nan 8.290 nan 0.000 0.482 409 Q N 0.833 120.696 119.800 0.106 0.000 2.289 409 Q HA 0.034 4.374 4.340 -0.000 0.000 0.273 409 Q C 1.442 177.491 176.000 0.082 0.000 1.029 409 Q CA 0.007 55.873 55.803 0.105 0.000 0.896 409 Q CB 1.231 30.016 28.738 0.078 0.000 1.182 409 Q HN 0.769 nan 8.270 nan 0.000 0.385 410 K N 2.216 122.661 120.400 0.076 0.000 2.113 410 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 410 K C 1.465 178.079 176.600 0.024 0.000 1.047 410 K CA 2.067 58.373 56.287 0.033 0.000 0.928 410 K CB 0.175 32.675 32.500 -0.000 0.000 0.716 410 K HN 0.647 nan 8.250 nan 0.000 0.446 411 S N -1.568 114.149 115.700 0.028 0.000 2.497 411 S HA -0.037 4.433 4.470 -0.000 0.000 0.221 411 S C 1.807 176.423 174.600 0.027 0.000 1.037 411 S CA 0.561 58.775 58.200 0.022 0.000 0.920 411 S CB 0.242 63.453 63.200 0.018 0.000 0.800 411 S HN 0.437 nan 8.310 nan 0.000 0.505 412 T N -1.969 112.606 114.554 0.035 0.000 3.044 412 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 412 T C 0.623 175.346 174.700 0.039 0.000 1.081 412 T CA 0.816 62.938 62.100 0.036 0.000 1.040 412 T CB -0.392 68.500 68.868 0.039 0.000 0.962 412 T HN 0.305 nan 8.240 nan 0.000 0.506 413 D N 0.342 120.767 120.400 0.042 0.000 3.077 413 D HA -0.177 4.463 4.640 -0.000 0.000 0.212 413 D C 0.095 176.422 176.300 0.046 0.000 1.125 413 D CA 0.704 54.730 54.000 0.043 0.000 0.970 413 D CB -1.413 39.409 40.800 0.038 0.000 1.110 413 D HN 0.590 nan 8.370 nan 0.000 0.419 414 R N 0.051 120.582 120.500 0.052 0.000 2.522 414 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 414 R C -0.433 175.903 176.300 0.060 0.000 1.032 414 R CA -0.131 56.003 56.100 0.056 0.000 1.049 414 R CB 0.651 30.986 30.300 0.058 0.000 0.956 414 R HN 0.002 nan 8.270 nan 0.000 0.422 415 V N 7.742 127.693 119.914 0.061 0.000 2.521 415 V HA 0.022 4.142 4.120 -0.000 0.000 0.286 415 V C 1.119 177.256 176.094 0.072 0.000 1.034 415 V CA 0.270 62.609 62.300 0.064 0.000 1.045 415 V CB 0.716 32.582 31.823 0.072 0.000 0.974 415 V HN 0.790 nan 8.190 nan 0.000 0.480 416 L N 3.906 125.171 121.223 0.069 0.000 2.642 416 L HA 0.541 4.881 4.340 -0.000 0.000 0.233 416 L C 0.977 177.890 176.870 0.071 0.000 1.077 416 L CA 0.560 55.437 54.840 0.062 0.000 0.879 416 L CB 0.414 42.497 42.059 0.041 0.000 1.151 416 L HN 0.786 nan 8.230 nan 0.000 0.495 417 G N -0.024 108.828 108.800 0.087 0.000 2.732 417 G HA2 0.673 4.633 3.960 -0.000 0.000 0.296 417 G HA3 0.673 4.633 3.960 -0.000 0.000 0.296 417 G C -2.008 172.943 174.900 0.085 0.000 1.448 417 G CA -0.006 45.155 45.100 0.102 0.000 0.911 417 G HN -0.015 nan 8.290 nan 0.000 0.528 418 A N 1.812 124.573 122.820 -0.098 0.000 2.381 418 A HA 0.857 5.177 4.320 -0.000 0.000 0.299 418 A C -1.054 176.358 177.584 -0.286 0.000 1.049 418 A CA -0.714 51.332 52.037 0.014 0.000 0.715 418 A CB 1.215 20.354 19.000 0.233 0.000 1.222 418 A HN 0.764 nan 8.150 nan 0.000 0.428 419 H N 2.249 121.425 119.070 0.178 0.000 2.689 419 H HA 0.496 5.051 4.556 -0.000 0.000 0.346 419 H C -1.323 174.097 175.328 0.154 0.000 1.037 419 H CA -0.291 55.861 56.048 0.173 0.000 1.234 419 H CB 1.766 31.559 29.762 0.051 0.000 1.572 419 H HN 0.548 nan 8.280 nan 0.000 0.524 420 I N 4.017 124.727 120.570 0.233 0.000 2.418 420 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 420 I C -0.793 175.426 176.117 0.170 0.000 1.008 420 I CA -0.776 60.654 61.300 0.216 0.000 1.104 420 I CB 2.175 40.294 38.000 0.198 0.000 1.264 420 I HN 0.195 nan 8.210 nan 0.000 0.438 421 L N 6.835 128.178 121.223 0.199 0.000 2.343 421 L HA 0.992 5.331 4.340 -0.000 0.000 0.278 421 L C -0.072 176.922 176.870 0.206 0.000 0.996 421 L CA 0.385 55.288 54.840 0.106 0.000 0.831 421 L CB 1.042 43.149 42.059 0.079 0.000 1.232 421 L HN 0.822 nan 8.230 nan 0.000 0.413 422 G N 4.322 113.118 108.800 -0.008 0.000 2.340 422 G HA2 0.123 4.082 3.960 -0.000 0.000 0.282 422 G HA3 0.123 4.082 3.960 -0.000 0.000 0.282 422 G C -3.336 171.267 174.900 -0.495 0.000 1.312 422 G CA -0.568 44.385 45.100 -0.244 0.000 0.942 422 G HN 0.519 nan 8.290 nan 0.000 0.495 423 P HA 0.327 nan 4.420 nan 0.000 0.268 423 P C 1.088 178.143 177.300 -0.408 0.000 1.205 423 P CA 1.850 64.652 63.100 -0.497 0.000 0.771 423 P CB 0.812 32.260 31.700 -0.419 0.000 0.858 424 G N 2.578 111.256 108.800 -0.204 0.000 2.180 424 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.263 424 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.263 424 G C 1.140 175.973 174.900 -0.111 0.000 0.989 424 G CA 0.599 45.625 45.100 -0.123 0.000 0.692 424 G HN 0.723 nan 8.290 nan 0.000 0.526 425 A N 0.074 122.812 122.820 -0.138 0.000 1.883 425 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 425 A C 2.903 180.393 177.584 -0.157 0.000 1.186 425 A CA 2.386 54.366 52.037 -0.096 0.000 0.624 425 A CB -1.136 17.804 19.000 -0.099 0.000 0.822 425 A HN 1.660 nan 8.150 nan 0.000 0.444 426 G N -0.534 108.131 108.800 -0.225 0.000 2.476 426 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 426 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 426 G C 1.421 176.216 174.900 -0.176 0.000 1.164 426 G CA 1.190 46.123 45.100 -0.278 0.000 0.768 426 G HN 0.514 nan 8.290 nan 0.000 0.560 427 E N -0.236 119.894 120.200 -0.116 0.000 2.076 427 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 427 E C 2.382 178.908 176.600 -0.125 0.000 0.979 427 E CA 0.393 56.737 56.400 -0.093 0.000 0.807 427 E CB -0.445 29.223 29.700 -0.054 0.000 0.761 427 E HN 0.506 nan 8.360 nan 0.000 0.454 428 M N 0.701 120.225 119.600 -0.127 0.000 2.149 428 M HA -0.140 4.339 4.480 -0.000 0.000 0.261 428 M C 2.232 178.362 176.300 -0.284 0.000 1.064 428 M CA 1.077 56.269 55.300 -0.181 0.000 1.102 428 M CB -0.043 32.495 32.600 -0.103 0.000 1.369 428 M HN -0.025 nan 8.290 nan 0.000 0.408 429 V N 1.499 121.280 119.914 -0.221 0.000 2.688 429 V HA -0.271 3.849 4.120 -0.000 0.000 0.256 429 V C 1.707 177.673 176.094 -0.214 0.000 1.084 429 V CA 1.897 64.064 62.300 -0.221 0.000 1.103 429 V CB -0.860 30.846 31.823 -0.195 0.000 0.688 429 V HN 0.578 nan 8.190 nan 0.000 0.480 430 N N -0.009 118.574 118.700 -0.196 0.000 2.331 430 N HA -0.168 4.572 4.740 -0.000 0.000 0.180 430 N C 1.789 177.214 175.510 -0.141 0.000 1.019 430 N CA 1.455 54.414 53.050 -0.151 0.000 0.881 430 N CB -0.104 38.307 38.487 -0.127 0.000 0.972 430 N HN 0.725 nan 8.380 nan 0.000 0.435 431 E N 1.286 121.359 120.200 -0.212 0.000 2.106 431 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 431 E C 1.848 178.353 176.600 -0.159 0.000 0.984 431 E CA 0.883 57.166 56.400 -0.196 0.000 0.806 431 E CB 0.052 29.575 29.700 -0.295 0.000 0.750 431 E HN 0.263 nan 8.360 nan 0.000 0.458 432 A N 1.349 123.996 122.820 -0.288 0.000 1.902 432 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 432 A C 2.434 180.044 177.584 0.042 0.000 1.181 432 A CA 1.765 53.783 52.037 -0.032 0.000 0.623 432 A CB -0.821 18.147 19.000 -0.054 0.000 0.818 432 A HN 0.422 nan 8.150 nan 0.000 0.443 433 A N -0.441 122.364 122.820 -0.026 0.000 1.902 433 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 433 A C 2.131 179.737 177.584 0.037 0.000 1.181 433 A CA 1.784 53.819 52.037 -0.003 0.000 0.623 433 A CB -0.629 18.345 19.000 -0.043 0.000 0.818 433 A HN 0.771 nan 8.150 nan 0.000 0.443 434 L N -0.253 120.997 121.223 0.044 0.000 2.083 434 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 434 L C 2.596 179.593 176.870 0.212 0.000 1.083 434 L CA 2.171 57.079 54.840 0.114 0.000 0.752 434 L CB -0.842 41.285 42.059 0.112 0.000 0.899 434 L HN 0.336 nan 8.230 nan 0.000 0.433 435 A N -0.399 122.530 122.820 0.182 0.000 1.877 435 A HA -0.170 4.149 4.320 -0.000 0.000 0.216 435 A C 2.301 180.002 177.584 0.196 0.000 1.186 435 A CA 1.992 54.157 52.037 0.214 0.000 0.620 435 A CB -0.941 18.208 19.000 0.248 0.000 0.822 435 A HN 0.491 nan 8.150 nan 0.000 0.443 436 L N -1.039 120.273 121.223 0.148 0.000 2.042 436 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 436 L C 2.682 179.608 176.870 0.095 0.000 1.076 436 L CA 1.841 56.748 54.840 0.113 0.000 0.749 436 L CB -0.472 41.638 42.059 0.084 0.000 0.893 436 L HN 0.428 nan 8.230 nan 0.000 0.432 437 E N -0.365 119.876 120.200 0.069 0.000 2.160 437 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 437 E C 1.565 178.133 176.600 -0.054 0.000 0.991 437 E CA 1.504 57.894 56.400 -0.017 0.000 0.810 437 E CB -0.122 29.529 29.700 -0.082 0.000 0.742 437 E HN 0.446 nan 8.360 nan 0.000 0.466 438 Y N -1.008 119.313 120.300 0.034 0.000 2.466 438 Y HA 0.239 4.789 4.550 -0.000 0.000 0.272 438 Y C 1.379 177.299 175.900 0.033 0.000 1.169 438 Y CA 0.541 58.659 58.100 0.030 0.000 1.285 438 Y CB 0.627 39.104 38.460 0.029 0.000 1.078 438 Y HN 0.150 nan 8.280 nan 0.000 0.523 439 G N 0.514 109.412 108.800 0.164 0.000 2.198 439 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.260 439 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.260 439 G C 0.438 175.408 174.900 0.116 0.000 1.025 439 G CA 0.028 45.199 45.100 0.118 0.000 0.769 439 G HN 0.639 nan 8.290 nan 0.000 0.507 440 A N -0.152 122.748 122.820 0.133 0.000 2.520 440 A HA 0.638 4.958 4.320 -0.000 0.000 0.235 440 A C 1.099 178.726 177.584 0.072 0.000 1.065 440 A CA 1.030 53.126 52.037 0.099 0.000 0.764 440 A CB 0.287 19.353 19.000 0.110 0.000 1.002 440 A HN 2.047 nan 8.150 nan 0.000 0.502 441 S N 0.292 116.022 115.700 0.051 0.000 2.690 441 S HA 0.324 4.794 4.470 -0.000 0.000 0.291 441 S C 1.013 175.625 174.600 0.021 0.000 1.138 441 S CA -0.203 58.020 58.200 0.039 0.000 1.013 441 S CB 0.851 64.071 63.200 0.034 0.000 1.053 441 S HN 0.727 nan 8.310 nan 0.000 0.539 442 C N 0.661 119.966 119.300 0.008 0.000 2.413 442 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 442 C C 2.668 177.642 174.990 -0.028 0.000 1.265 442 C CA 1.163 60.164 59.018 -0.028 0.000 1.752 442 C CB -1.566 26.162 27.740 -0.020 0.000 1.998 442 C HN 1.089 nan 8.230 nan 0.000 0.489 443 E N 0.946 121.146 120.200 0.000 0.000 2.110 443 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 443 E C 1.485 178.083 176.600 -0.004 0.000 0.988 443 E CA 1.207 57.608 56.400 0.001 0.000 0.804 443 E CB -0.144 29.566 29.700 0.017 0.000 0.745 443 E HN 0.579 nan 8.360 nan 0.000 0.458 444 D N 0.559 120.962 120.400 0.005 0.000 2.123 444 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 444 D C 2.079 178.391 176.300 0.020 0.000 0.992 444 D CA 1.158 55.163 54.000 0.007 0.000 0.833 444 D CB -0.147 40.660 40.800 0.011 0.000 0.954 444 D HN 0.353 nan 8.370 nan 0.000 0.455 445 I N 1.267 121.850 120.570 0.022 0.000 2.252 445 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 445 I C 2.559 178.697 176.117 0.035 0.000 1.102 445 I CA 0.779 62.114 61.300 0.058 0.000 1.385 445 I CB -0.239 37.758 38.000 -0.006 0.000 1.064 445 I HN -0.100 nan 8.210 nan 0.000 0.414 446 A N 0.758 123.552 122.820 -0.044 0.000 2.019 446 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 446 A C 2.264 179.832 177.584 -0.027 0.000 1.164 446 A CA 1.287 53.281 52.037 -0.072 0.000 0.644 446 A CB -0.491 18.462 19.000 -0.079 0.000 0.805 446 A HN 0.347 nan 8.150 nan 0.000 0.449 447 R N -0.694 119.804 120.500 -0.002 0.000 2.310 447 R HA 0.154 4.494 4.340 -0.000 0.000 0.202 447 R C -0.513 175.807 176.300 0.033 0.000 0.933 447 R CA -0.079 56.021 56.100 0.001 0.000 1.054 447 R CB 0.050 30.343 30.300 -0.011 0.000 0.985 447 R HN 0.317 nan 8.270 nan 0.000 0.489 448 V N 0.896 120.866 119.914 0.092 0.000 2.465 448 V HA 0.041 4.161 4.120 -0.000 0.000 0.279 448 V C 0.389 176.590 176.094 0.178 0.000 1.045 448 V CA -0.986 61.370 62.300 0.093 0.000 0.938 448 V CB 1.643 33.515 31.823 0.083 0.000 0.986 448 V HN 0.244 nan 8.190 nan 0.000 0.467 449 C N 6.807 126.152 119.300 0.075 0.000 2.610 449 C HA 0.308 4.767 4.460 -0.000 0.000 0.382 449 C C 0.405 175.453 174.990 0.096 0.000 1.287 449 C CA -0.343 58.730 59.018 0.092 0.000 1.640 449 C CB -1.948 25.812 27.740 0.033 0.000 2.335 449 C HN 0.879 nan 8.230 nan 0.000 0.577 450 H N 3.543 122.626 119.070 0.021 0.000 2.467 450 H HA 0.528 5.084 4.556 -0.000 0.000 0.331 450 H C 0.634 175.991 175.328 0.048 0.000 1.120 450 H CA 0.515 56.584 56.048 0.036 0.000 1.270 450 H CB 1.145 30.934 29.762 0.045 0.000 1.466 450 H HN 0.871 nan 8.280 nan 0.000 0.504 451 A N 2.317 125.218 122.820 0.135 0.000 2.483 451 A HA 0.188 4.508 4.320 -0.000 0.000 0.238 451 A C -0.371 177.298 177.584 0.140 0.000 1.070 451 A CA 0.195 52.297 52.037 0.108 0.000 0.770 451 A CB -0.276 18.758 19.000 0.058 0.000 1.008 451 A HN 0.898 nan 8.150 nan 0.000 0.497 452 H N 1.989 121.089 119.070 0.051 0.000 2.529 452 H HA 0.632 5.188 4.556 -0.000 0.000 0.348 452 H C -2.486 172.868 175.328 0.043 0.000 1.079 452 H CA -1.544 54.532 56.048 0.047 0.000 1.198 452 H CB 1.438 31.223 29.762 0.037 0.000 1.521 452 H HN 0.574 nan 8.280 nan 0.000 0.514 453 P HA 0.286 nan 4.420 nan 0.000 0.296 453 P C -1.304 175.890 177.300 -0.176 0.000 1.306 453 P CA -0.562 62.178 63.100 -0.600 0.000 0.818 453 P CB 1.623 32.997 31.700 -0.544 0.000 0.969 454 T N -1.063 113.448 114.554 -0.073 0.000 2.900 454 T HA 0.338 4.688 4.350 -0.000 0.000 0.303 454 T C 1.116 175.864 174.700 0.080 0.000 1.142 454 T CA -0.910 61.203 62.100 0.021 0.000 1.007 454 T CB 0.915 69.818 68.868 0.057 0.000 1.156 454 T HN 0.119 nan 8.240 nan 0.000 0.490 455 L N 1.534 122.824 121.223 0.112 0.000 2.191 455 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 455 L C 3.015 180.034 176.870 0.248 0.000 1.103 455 L CA 1.573 56.547 54.840 0.222 0.000 0.769 455 L CB -0.632 41.521 42.059 0.156 0.000 0.908 455 L HN 0.957 nan 8.230 nan 0.000 0.438 456 S N -0.515 115.291 115.700 0.177 0.000 2.442 456 S HA -0.199 4.271 4.470 -0.000 0.000 0.236 456 S C 1.615 176.297 174.600 0.137 0.000 1.007 456 S CA 1.055 59.383 58.200 0.213 0.000 0.965 456 S CB -0.338 63.025 63.200 0.271 0.000 0.773 456 S HN 0.518 nan 8.310 nan 0.000 0.504 457 E N 1.541 121.764 120.200 0.039 0.000 2.204 457 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 457 E C 2.339 178.728 176.600 -0.352 0.000 0.990 457 E CA 0.944 57.251 56.400 -0.155 0.000 0.821 457 E CB -0.420 29.239 29.700 -0.068 0.000 0.750 457 E HN 0.779 nan 8.360 nan 0.000 0.477 458 A N 0.858 123.526 122.820 -0.254 0.000 1.972 458 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 458 A C 1.902 179.304 177.584 -0.304 0.000 1.169 458 A CA 0.912 52.662 52.037 -0.477 0.000 0.635 458 A CB -0.534 18.277 19.000 -0.314 0.000 0.810 458 A HN 0.326 nan 8.150 nan 0.000 0.446 459 F N 0.336 120.142 119.950 -0.241 0.000 2.128 459 F HA -0.043 4.484 4.527 -0.000 0.000 0.295 459 F C 2.329 177.990 175.800 -0.232 0.000 1.100 459 F CA 1.717 59.625 58.000 -0.154 0.000 1.260 459 F CB -0.272 38.707 39.000 -0.034 0.000 1.009 459 F HN 0.177 nan 8.300 nan 0.000 0.476 460 R N 0.443 120.722 120.500 -0.368 0.000 2.081 460 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 460 R C 2.131 178.177 176.300 -0.424 0.000 1.131 460 R CA 1.835 57.601 56.100 -0.557 0.000 0.960 460 R CB -0.378 29.401 30.300 -0.868 0.000 0.856 460 R HN 0.326 nan 8.270 nan 0.000 0.436 461 E N -0.042 119.878 120.200 -0.467 0.000 2.106 461 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 461 E C 1.855 178.341 176.600 -0.189 0.000 0.984 461 E CA 1.051 57.212 56.400 -0.399 0.000 0.806 461 E CB -0.043 29.123 29.700 -0.890 0.000 0.750 461 E HN 0.440 nan 8.360 nan 0.000 0.458 462 A N 1.929 124.624 122.820 -0.208 0.000 1.930 462 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 462 A C 1.948 179.455 177.584 -0.129 0.000 1.175 462 A CA 1.174 53.164 52.037 -0.078 0.000 0.627 462 A CB -0.404 18.543 19.000 -0.089 0.000 0.815 462 A HN 0.157 nan 8.150 nan 0.000 0.443 463 N N -0.342 118.195 118.700 -0.272 0.000 2.188 463 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 463 N C 1.682 177.127 175.510 -0.108 0.000 1.018 463 N CA 1.482 54.392 53.050 -0.233 0.000 0.858 463 N CB -0.303 37.963 38.487 -0.369 0.000 0.989 463 N HN 0.420 nan 8.380 nan 0.000 0.426 464 L N 1.555 122.717 121.223 -0.101 0.000 2.017 464 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 464 L C 2.228 179.148 176.870 0.083 0.000 1.073 464 L CA 1.563 56.393 54.840 -0.017 0.000 0.745 464 L CB -0.897 41.135 42.059 -0.045 0.000 0.894 464 L HN 0.061 nan 8.230 nan 0.000 0.432 465 A N -0.487 122.381 122.820 0.081 0.000 1.902 465 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 465 A C 2.436 180.070 177.584 0.082 0.000 1.181 465 A CA 1.880 53.989 52.037 0.120 0.000 0.623 465 A CB -1.156 17.927 19.000 0.138 0.000 0.818 465 A HN 0.591 nan 8.150 nan 0.000 0.443 466 A N -1.252 121.596 122.820 0.047 0.000 1.930 466 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 466 A C 2.463 180.074 177.584 0.046 0.000 1.175 466 A CA 2.084 54.145 52.037 0.039 0.000 0.627 466 A CB -0.710 18.302 19.000 0.020 0.000 0.815 466 A HN 0.521 nan 8.150 nan 0.000 0.443 467 S N -2.160 113.575 115.700 0.058 0.000 2.371 467 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 467 S C 1.553 176.238 174.600 0.141 0.000 1.036 467 S CA 1.187 59.434 58.200 0.079 0.000 0.965 467 S CB -0.318 62.920 63.200 0.064 0.000 0.845 467 S HN 0.566 nan 8.310 nan 0.000 0.475 468 F N 0.820 120.765 119.950 -0.008 0.000 2.656 468 F HA 0.382 4.908 4.527 -0.000 0.000 0.291 468 F C 1.518 177.318 175.800 0.000 0.000 1.122 468 F CA 1.093 59.090 58.000 -0.004 0.000 1.427 468 F CB 0.365 39.361 39.000 -0.006 0.000 1.125 468 F HN 0.368 nan 8.300 nan 0.000 0.583 469 G N 0.916 109.713 108.800 -0.005 0.000 2.284 469 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 469 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 469 G C 0.254 175.149 174.900 -0.008 0.000 1.009 469 G CA 0.047 45.088 45.100 -0.098 0.000 0.625 469 G HN 0.389 nan 8.290 nan 0.000 0.501 470 K N 0.614 121.091 120.400 0.129 0.000 2.502 470 K HA 0.633 4.953 4.320 -0.000 0.000 0.257 470 K C 0.128 176.902 176.600 0.290 0.000 0.938 470 K CA -0.130 56.277 56.287 0.201 0.000 0.819 470 K CB 2.304 34.911 32.500 0.179 0.000 1.333 470 K HN 0.413 nan 8.250 nan 0.000 0.434 471 S N 1.355 117.200 115.700 0.240 0.000 2.694 471 S HA 0.378 4.848 4.470 -0.000 0.000 0.278 471 S C 0.998 175.718 174.600 0.199 0.000 1.152 471 S CA -0.731 57.606 58.200 0.228 0.000 1.010 471 S CB 0.506 63.923 63.200 0.361 0.000 1.104 471 S HN 0.467 nan 8.310 nan 0.000 0.547 472 I N 0.838 121.504 120.570 0.160 0.000 2.556 472 I HA 0.063 4.232 4.170 -0.000 0.000 0.251 472 I C 1.387 177.609 176.117 0.175 0.000 1.105 472 I CA 0.719 62.091 61.300 0.120 0.000 1.436 472 I CB -1.326 36.703 38.000 0.048 0.000 1.139 472 I HN 0.638 nan 8.210 nan 0.000 0.438 473 N N -0.038 118.837 118.700 0.292 0.000 2.314 473 N HA 0.071 4.811 4.740 -0.000 0.000 0.200 473 N C -0.170 175.593 175.510 0.423 0.000 1.135 473 N CA 0.214 53.478 53.050 0.358 0.000 0.835 473 N CB 0.775 39.512 38.487 0.418 0.000 0.989 473 N HN 0.153 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.051 119.950 0.168 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.989 58.000 -0.019 0.000 1.383 474 F CB 0.000 38.825 39.000 -0.291 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574