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_H 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 0.000 176.003 176.000 0.004 0.000 1.003 3 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 3 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 4 P HA 0.234 nan 4.420 nan 0.000 0.271 4 P C -0.297 177.006 177.300 0.005 0.000 1.216 4 P CA 0.374 63.477 63.100 0.006 0.000 0.771 4 P CB 0.514 32.218 31.700 0.007 0.000 0.864 5 I N 2.428 123.001 120.570 0.005 0.000 2.499 5 I HA 0.232 4.402 4.170 -0.000 0.000 0.296 5 I C 0.328 176.448 176.117 0.004 0.000 0.992 5 I CA -0.404 60.898 61.300 0.003 0.000 1.297 5 I CB 0.957 38.957 38.000 0.001 0.000 1.410 5 I HN 0.177 nan 8.210 nan 0.000 0.507 6 D N 4.656 125.059 120.400 0.005 0.000 2.192 6 D HA 0.685 5.325 4.640 -0.000 0.000 0.246 6 D C -0.683 175.621 176.300 0.006 0.000 1.042 6 D CA -0.100 53.904 54.000 0.007 0.000 0.847 6 D CB 2.243 43.049 40.800 0.010 0.000 1.186 6 D HN 0.615 nan 8.370 nan 0.000 0.461 7 A N 1.595 124.418 122.820 0.004 0.000 2.587 7 A HA 0.427 4.747 4.320 -0.000 0.000 0.293 7 A C -0.003 177.582 177.584 0.002 0.000 1.087 7 A CA -0.596 51.441 52.037 0.001 0.000 0.692 7 A CB 1.619 20.609 19.000 -0.017 0.000 1.291 7 A HN 0.325 nan 8.150 nan 0.000 0.407 8 D N -0.396 120.011 120.400 0.011 0.000 2.201 8 D HA 0.159 4.799 4.640 -0.000 0.000 0.209 8 D C 0.163 176.376 176.300 -0.145 0.000 0.961 8 D CA 1.599 55.601 54.000 0.003 0.000 0.861 8 D CB 0.410 41.315 40.800 0.175 0.000 0.997 8 D HN 0.233 nan 8.370 nan 0.000 0.486 9 V N 0.838 120.651 119.914 -0.169 0.000 2.577 9 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 9 V C -0.436 175.578 176.094 -0.133 0.000 1.042 9 V CA -0.587 61.572 62.300 -0.235 0.000 0.872 9 V CB 2.185 33.776 31.823 -0.387 0.000 0.998 9 V HN -0.144 nan 8.190 nan 0.000 0.423 10 T N 4.246 118.742 114.554 -0.097 0.000 2.809 10 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 10 T C -0.325 174.344 174.700 -0.051 0.000 1.015 10 T CA -0.286 61.778 62.100 -0.060 0.000 0.954 10 T CB 1.336 70.188 68.868 -0.027 0.000 0.950 10 T HN 0.694 nan 8.240 nan 0.000 0.450 11 V N 4.697 124.578 119.914 -0.054 0.000 2.439 11 V HA 0.639 4.759 4.120 -0.000 0.000 0.282 11 V C -0.380 175.716 176.094 0.003 0.000 1.039 11 V CA -0.742 61.539 62.300 -0.032 0.000 0.913 11 V CB 0.481 32.277 31.823 -0.045 0.000 0.983 11 V HN 0.812 nan 8.190 nan 0.000 0.460 12 I N 6.861 127.439 120.570 0.014 0.000 2.307 12 I HA 0.770 4.940 4.170 -0.000 0.000 0.289 12 I C 0.713 176.848 176.117 0.029 0.000 1.021 12 I CA 0.188 61.502 61.300 0.023 0.000 1.224 12 I CB 0.820 38.832 38.000 0.020 0.000 1.376 12 I HN 1.165 nan 8.210 nan 0.000 0.470 13 G N 3.780 112.603 108.800 0.038 0.000 3.055 13 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.685 13 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.685 13 G C -0.131 174.819 174.900 0.084 0.000 1.212 13 G CA -0.279 44.847 45.100 0.044 0.000 0.822 13 G HN 0.731 nan 8.290 nan 0.000 0.610 14 S N 1.127 116.880 115.700 0.089 0.000 2.588 14 S HA 0.615 5.085 4.470 -0.000 0.000 0.245 14 S C 1.246 175.938 174.600 0.153 0.000 1.021 14 S CA 0.721 59.011 58.200 0.151 0.000 1.006 14 S CB 0.536 63.787 63.200 0.086 0.000 0.830 14 S HN 1.877 nan 8.310 nan 0.000 0.468 15 G N 2.232 111.105 108.800 0.122 0.000 2.516 15 G HA2 0.439 4.399 3.960 -0.000 0.000 0.276 15 G HA3 0.439 4.399 3.960 -0.000 0.000 0.276 15 G C -1.624 173.408 174.900 0.220 0.000 1.390 15 G CA -1.615 43.564 45.100 0.132 0.000 1.050 15 G HN 0.179 nan 8.290 nan 0.000 0.519 16 P HA -0.161 nan 4.420 nan 0.000 0.217 16 P C 1.984 179.199 177.300 -0.141 0.000 1.158 16 P CA 2.210 65.330 63.100 0.034 0.000 0.887 16 P CB -0.027 31.688 31.700 0.025 0.000 0.792 17 G N -0.995 107.758 108.800 -0.078 0.000 2.404 17 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 17 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 17 G C 1.798 176.633 174.900 -0.108 0.000 1.189 17 G CA 0.897 45.927 45.100 -0.117 0.000 0.789 17 G HN 0.364 nan 8.290 nan 0.000 0.533 18 G N 0.526 109.312 108.800 -0.024 0.000 2.453 18 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 18 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 18 G C 1.739 176.693 174.900 0.090 0.000 1.201 18 G CA 1.443 46.558 45.100 0.025 0.000 0.784 18 G HN 0.605 nan 8.290 nan 0.000 0.545 19 Y N 0.923 121.292 120.300 0.114 0.000 2.224 19 Y HA 0.007 4.557 4.550 -0.000 0.000 0.289 19 Y C 2.437 178.455 175.900 0.198 0.000 1.146 19 Y CA 1.263 59.518 58.100 0.258 0.000 1.182 19 Y CB -0.736 37.780 38.460 0.094 0.000 0.983 19 Y HN 0.027 nan 8.280 nan 0.000 0.524 20 V N 1.300 120.831 119.914 -0.638 0.000 2.358 20 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 20 V C 2.880 178.863 176.094 -0.184 0.000 1.047 20 V CA 1.835 63.823 62.300 -0.520 0.000 1.035 20 V CB -1.429 30.067 31.823 -0.545 0.000 0.658 20 V HN 0.641 nan 8.190 nan 0.000 0.452 21 A N -0.081 122.649 122.820 -0.150 0.000 1.933 21 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 21 A C 2.407 179.948 177.584 -0.072 0.000 1.175 21 A CA 2.028 53.999 52.037 -0.110 0.000 0.628 21 A CB -0.713 18.211 19.000 -0.127 0.000 0.814 21 A HN 0.562 nan 8.150 nan 0.000 0.444 22 A N -0.062 122.732 122.820 -0.044 0.000 1.902 22 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 22 A C 2.128 179.676 177.584 -0.059 0.000 1.181 22 A CA 1.533 53.518 52.037 -0.087 0.000 0.623 22 A CB -0.574 18.320 19.000 -0.177 0.000 0.818 22 A HN 0.490 nan 8.150 nan 0.000 0.443 23 I N -0.915 119.680 120.570 0.042 0.000 2.202 23 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 23 I C 2.534 178.669 176.117 0.030 0.000 1.091 23 I CA 1.795 63.140 61.300 0.075 0.000 1.368 23 I CB -0.142 37.960 38.000 0.169 0.000 1.058 23 I HN 0.231 nan 8.210 nan 0.000 0.410 24 K N 1.421 121.825 120.400 0.008 0.000 2.057 24 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 24 K C 2.044 178.670 176.600 0.043 0.000 1.050 24 K CA 1.592 57.883 56.287 0.008 0.000 0.935 24 K CB -0.402 32.087 32.500 -0.018 0.000 0.715 24 K HN 0.273 nan 8.250 nan 0.000 0.439 25 A N 0.654 123.507 122.820 0.054 0.000 1.865 25 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 25 A C 2.400 180.092 177.584 0.180 0.000 1.191 25 A CA 2.322 54.466 52.037 0.179 0.000 0.623 25 A CB -1.269 17.764 19.000 0.055 0.000 0.826 25 A HN 0.415 nan 8.150 nan 0.000 0.444 26 A N -0.810 122.051 122.820 0.069 0.000 1.940 26 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 26 A C 2.089 179.682 177.584 0.015 0.000 1.176 26 A CA 1.739 53.798 52.037 0.037 0.000 0.631 26 A CB -0.607 18.388 19.000 -0.009 0.000 0.814 26 A HN 0.689 nan 8.150 nan 0.000 0.446 27 Q N -0.718 119.090 119.800 0.013 0.000 2.291 27 Q HA 0.061 4.401 4.340 -0.000 0.000 0.205 27 Q C 1.508 177.487 176.000 -0.035 0.000 0.970 27 Q CA 0.785 56.584 55.803 -0.006 0.000 0.876 27 Q CB -0.187 28.552 28.738 0.002 0.000 0.935 27 Q HN 0.668 nan 8.270 nan 0.000 0.455 28 L N -1.024 120.175 121.223 -0.040 0.000 2.591 28 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 28 L C 1.136 177.840 176.870 -0.278 0.000 1.133 28 L CA 0.477 55.238 54.840 -0.132 0.000 0.880 28 L CB 0.163 42.162 42.059 -0.099 0.000 1.033 28 L HN 0.407 nan 8.230 nan 0.000 0.450 29 G N -0.870 107.819 108.800 -0.185 0.000 2.179 29 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 29 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 29 G C 0.093 174.890 174.900 -0.172 0.000 0.990 29 G CA -0.635 44.345 45.100 -0.201 0.000 0.646 29 G HN 0.095 nan 8.290 nan 0.000 0.517 30 F N 1.379 121.306 119.950 -0.039 0.000 2.429 30 F HA 0.497 5.024 4.527 -0.000 0.000 0.348 30 F C 1.033 176.805 175.800 -0.046 0.000 1.109 30 F CA -0.373 57.602 58.000 -0.042 0.000 1.232 30 F CB 1.003 39.970 39.000 -0.055 0.000 1.157 30 F HN -0.001 nan 8.300 nan 0.000 0.564 31 K N 2.139 122.649 120.400 0.183 0.000 2.349 31 K HA 0.259 4.579 4.320 -0.000 0.000 0.289 31 K C -0.873 175.752 176.600 0.041 0.000 1.064 31 K CA -0.005 56.325 56.287 0.073 0.000 0.947 31 K CB 0.167 32.697 32.500 0.051 0.000 1.007 31 K HN 0.696 nan 8.250 nan 0.000 0.478 32 T N 2.821 117.374 114.554 -0.003 0.000 2.829 32 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 32 T C -0.970 173.670 174.700 -0.100 0.000 0.999 32 T CA -0.701 61.364 62.100 -0.060 0.000 0.983 32 T CB 1.714 70.536 68.868 -0.077 0.000 0.968 32 T HN 0.255 nan 8.240 nan 0.000 0.446 33 V N 1.729 121.583 119.914 -0.100 0.000 2.656 33 V HA 0.569 4.689 4.120 -0.000 0.000 0.307 33 V C -0.481 175.551 176.094 -0.103 0.000 1.051 33 V CA -0.854 61.392 62.300 -0.091 0.000 0.893 33 V CB 1.902 33.701 31.823 -0.040 0.000 0.999 33 V HN 1.102 nan 8.190 nan 0.000 0.426 34 C N 6.834 126.071 119.300 -0.104 0.000 2.369 34 C HA 0.714 5.174 4.460 -0.000 0.000 0.322 34 C C -0.375 174.680 174.990 0.108 0.000 1.258 34 C CA -0.485 58.512 59.018 -0.034 0.000 1.487 34 C CB -0.446 27.223 27.740 -0.119 0.000 2.165 34 C HN 0.808 nan 8.230 nan 0.000 0.483 35 I N 4.804 125.432 120.570 0.098 0.000 2.377 35 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 35 I C -0.402 175.785 176.117 0.117 0.000 0.987 35 I CA 0.116 61.486 61.300 0.118 0.000 1.185 35 I CB 1.611 39.648 38.000 0.062 0.000 1.341 35 I HN 0.633 nan 8.210 nan 0.000 0.455 36 E N 5.467 125.760 120.200 0.155 0.000 2.275 36 E HA 0.258 4.608 4.350 -0.000 0.000 0.270 36 E C -0.120 176.529 176.600 0.082 0.000 0.882 36 E CA -0.813 55.648 56.400 0.100 0.000 0.758 36 E CB 1.508 31.274 29.700 0.110 0.000 1.195 36 E HN 0.562 nan 8.360 nan 0.000 0.419 37 K N 2.492 122.891 120.400 -0.002 0.000 2.305 37 K HA 0.181 4.501 4.320 -0.000 0.000 0.199 37 K C 0.239 176.861 176.600 0.037 0.000 1.047 37 K CA 0.113 56.405 56.287 0.008 0.000 0.976 37 K CB 0.040 32.484 32.500 -0.092 0.000 0.765 37 K HN 0.196 nan 8.250 nan 0.000 0.474 38 N N 1.911 120.621 118.700 0.016 0.000 2.445 38 N HA 0.033 4.773 4.740 -0.000 0.000 0.264 38 N C 0.459 175.993 175.510 0.040 0.000 1.227 38 N CA -0.203 52.856 53.050 0.014 0.000 0.963 38 N CB 1.079 39.553 38.487 -0.021 0.000 1.188 38 N HN 0.167 nan 8.380 nan 0.000 0.491 39 E N -0.585 119.631 120.200 0.028 0.000 2.153 39 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 39 E C 0.210 176.831 176.600 0.035 0.000 0.988 39 E CA 0.972 57.394 56.400 0.037 0.000 0.811 39 E CB 0.125 29.836 29.700 0.019 0.000 0.746 39 E HN 0.698 nan 8.360 nan 0.000 0.466 40 T N -1.960 112.591 114.554 -0.006 0.000 2.930 40 T HA 0.580 4.930 4.350 -0.000 0.000 0.290 40 T C 0.026 174.666 174.700 -0.100 0.000 1.052 40 T CA -0.945 61.124 62.100 -0.052 0.000 1.017 40 T CB 1.554 70.379 68.868 -0.071 0.000 1.137 40 T HN -0.123 nan 8.240 nan 0.000 0.511 41 L N 0.553 121.658 121.223 -0.198 0.000 2.469 41 L HA 0.637 4.977 4.340 -0.000 0.000 0.253 41 L C 1.747 178.467 176.870 -0.251 0.000 1.143 41 L CA 0.019 54.694 54.840 -0.275 0.000 0.804 41 L CB 0.354 42.106 42.059 -0.511 0.000 1.214 41 L HN 1.156 nan 8.230 nan 0.000 0.476 42 G N -0.848 107.809 108.800 -0.239 0.000 2.218 42 G HA2 0.007 3.967 3.960 -0.000 0.000 0.216 42 G HA3 0.007 3.967 3.960 -0.000 0.000 0.216 42 G C 0.631 175.503 174.900 -0.046 0.000 0.994 42 G CA -0.098 44.891 45.100 -0.185 0.000 0.637 42 G HN 1.437 nan 8.290 nan 0.000 0.505 43 G N -0.813 107.963 108.800 -0.041 0.000 2.601 43 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.261 43 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.261 43 G C 1.021 175.902 174.900 -0.031 0.000 1.289 43 G CA 1.256 46.343 45.100 -0.022 0.000 0.920 43 G HN 1.305 nan 8.290 nan 0.000 0.571 44 T N -0.449 114.091 114.554 -0.023 0.000 2.708 44 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 44 T C 2.460 177.151 174.700 -0.014 0.000 1.037 44 T CA 2.462 64.547 62.100 -0.024 0.000 1.146 44 T CB -0.688 68.170 68.868 -0.016 0.000 0.865 44 T HN 0.977 nan 8.240 nan 0.000 0.435 45 c N 1.249 119.849 118.600 -0.001 0.000 2.393 45 c HA -0.064 4.506 4.570 -0.000 0.000 0.276 45 c C 2.560 176.640 174.090 -0.017 0.000 1.215 45 c CA 0.883 57.212 56.329 0.001 0.000 1.743 45 c CB -1.335 41.189 42.510 0.025 0.000 2.044 45 c HN 0.478 nan 8.230 nan 0.000 0.464 46 L N 1.777 122.984 121.223 -0.026 0.000 2.072 46 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 46 L C 2.181 179.017 176.870 -0.055 0.000 1.079 46 L CA 2.047 56.855 54.840 -0.053 0.000 0.752 46 L CB -1.255 40.750 42.059 -0.091 0.000 0.906 46 L HN 0.443 nan 8.230 nan 0.000 0.436 47 N N -0.659 118.010 118.700 -0.051 0.000 2.290 47 N HA -0.002 4.738 4.740 -0.000 0.000 0.179 47 N C 1.081 176.572 175.510 -0.032 0.000 1.016 47 N CA 1.635 54.657 53.050 -0.046 0.000 0.871 47 N CB 0.588 39.044 38.487 -0.051 0.000 0.987 47 N HN 0.429 nan 8.380 nan 0.000 0.431 48 V N -3.991 115.908 119.914 -0.026 0.000 3.265 48 V HA 0.616 4.736 4.120 -0.000 0.000 0.346 48 V C 0.504 176.596 176.094 -0.003 0.000 1.447 48 V CA -0.160 62.132 62.300 -0.013 0.000 1.179 48 V CB 0.546 32.361 31.823 -0.015 0.000 1.103 48 V HN 0.121 nan 8.190 nan 0.000 0.530 49 G N -0.039 108.755 108.800 -0.009 0.000 3.324 49 G HA2 0.204 4.164 3.960 -0.000 0.000 0.188 49 G HA3 0.204 4.164 3.960 -0.000 0.000 0.188 49 G C 1.012 175.903 174.900 -0.014 0.000 1.384 49 G CA 0.700 45.800 45.100 -0.001 0.000 0.841 49 G HN 0.267 nan 8.290 nan 0.000 0.758 50 c N 1.184 119.773 118.600 -0.020 0.000 2.349 50 c HA -0.121 4.448 4.570 -0.000 0.000 0.274 50 c C 2.775 176.802 174.090 -0.104 0.000 1.178 50 c CA 0.747 57.041 56.329 -0.060 0.000 1.769 50 c CB -1.386 41.091 42.510 -0.054 0.000 2.047 50 c HN 0.415 nan 8.230 nan 0.000 0.448 51 I N 2.484 123.006 120.570 -0.080 0.000 2.099 51 I HA -0.111 4.059 4.170 -0.000 0.000 0.239 51 I C 0.167 176.237 176.117 -0.079 0.000 1.066 51 I CA 1.733 62.981 61.300 -0.087 0.000 1.324 51 I CB -2.921 35.038 38.000 -0.067 0.000 1.037 51 I HN 0.255 nan 8.210 nan 0.000 0.401 52 P HA -0.099 nan 4.420 nan 0.000 0.218 52 P C 1.869 179.137 177.300 -0.053 0.000 1.149 52 P CA 1.960 65.032 63.100 -0.046 0.000 0.817 52 P CB -0.119 31.566 31.700 -0.026 0.000 0.785 53 S N 0.075 115.745 115.700 -0.049 0.000 2.368 53 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 53 S C 2.027 176.576 174.600 -0.085 0.000 1.029 53 S CA 1.058 59.230 58.200 -0.047 0.000 0.988 53 S CB -0.864 62.329 63.200 -0.011 0.000 0.838 53 S HN -0.015 nan 8.310 nan 0.000 0.462 54 K N 2.044 122.360 120.400 -0.140 0.000 2.148 54 K HA 0.303 4.623 4.320 -0.000 0.000 0.204 54 K C 2.334 178.862 176.600 -0.120 0.000 1.050 54 K CA 1.083 57.256 56.287 -0.190 0.000 0.942 54 K CB -0.905 31.395 32.500 -0.334 0.000 0.724 54 K HN 0.490 nan 8.250 nan 0.000 0.446 55 A N 0.639 123.401 122.820 -0.096 0.000 1.877 55 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 55 A C 2.064 179.604 177.584 -0.074 0.000 1.186 55 A CA 1.400 53.397 52.037 -0.067 0.000 0.620 55 A CB -0.677 18.290 19.000 -0.055 0.000 0.822 55 A HN 0.208 nan 8.150 nan 0.000 0.443 56 L N -0.922 120.241 121.223 -0.100 0.000 2.156 56 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 56 L C 2.501 179.280 176.870 -0.151 0.000 1.095 56 L CA 0.684 55.433 54.840 -0.152 0.000 0.770 56 L CB -0.501 41.429 42.059 -0.214 0.000 0.914 56 L HN 0.354 nan 8.230 nan 0.000 0.439 57 L N -0.298 120.860 121.223 -0.108 0.000 2.093 57 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 57 L C 2.447 179.274 176.870 -0.071 0.000 1.085 57 L CA 1.300 56.098 54.840 -0.071 0.000 0.755 57 L CB -0.603 41.448 42.059 -0.014 0.000 0.904 57 L HN 0.390 nan 8.230 nan 0.000 0.435 58 N N 0.025 118.672 118.700 -0.088 0.000 2.058 58 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 58 N C 1.557 176.973 175.510 -0.156 0.000 1.037 58 N CA 1.444 54.406 53.050 -0.146 0.000 0.848 58 N CB 0.073 38.523 38.487 -0.062 0.000 1.021 58 N HN 0.336 nan 8.380 nan 0.000 0.422 59 N N 0.607 119.287 118.700 -0.034 0.000 2.142 59 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 59 N C 1.930 177.456 175.510 0.026 0.000 1.023 59 N CA 1.462 54.539 53.050 0.045 0.000 0.852 59 N CB -0.617 37.874 38.487 0.008 0.000 0.998 59 N HN 0.359 nan 8.380 nan 0.000 0.424 60 S N -0.057 115.612 115.700 -0.052 0.000 2.423 60 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 60 S C 1.819 176.466 174.600 0.079 0.000 1.014 60 S CA 0.721 58.904 58.200 -0.028 0.000 0.965 60 S CB -0.640 62.462 63.200 -0.163 0.000 0.785 60 S HN 0.477 nan 8.310 nan 0.000 0.495 61 H N -0.173 118.835 119.070 -0.103 0.000 2.357 61 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 61 H C 1.663 176.924 175.328 -0.111 0.000 1.082 61 H CA 1.724 57.691 56.048 -0.137 0.000 1.342 61 H CB -0.197 29.388 29.762 -0.295 0.000 1.389 61 H HN 0.465 nan 8.280 nan 0.000 0.511 62 Y N -0.203 119.992 120.300 -0.175 0.000 2.242 62 Y HA -0.220 4.330 4.550 -0.000 0.000 0.291 62 Y C 2.601 178.336 175.900 -0.274 0.000 1.137 62 Y CA 1.144 59.070 58.100 -0.291 0.000 1.181 62 Y CB -1.180 37.208 38.460 -0.119 0.000 0.989 62 Y HN 0.325 nan 8.280 nan 0.000 0.527 63 Y N -0.003 120.264 120.300 -0.056 0.000 2.145 63 Y HA -0.313 4.237 4.550 -0.000 0.000 0.286 63 Y C 2.822 178.664 175.900 -0.097 0.000 1.145 63 Y CA 2.262 60.313 58.100 -0.082 0.000 1.148 63 Y CB -0.771 37.649 38.460 -0.066 0.000 0.981 63 Y HN 0.219 nan 8.280 nan 0.000 0.507 64 H N -0.139 118.842 119.070 -0.148 0.000 2.352 64 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 64 H C 2.075 177.220 175.328 -0.304 0.000 1.097 64 H CA 2.478 58.410 56.048 -0.193 0.000 1.311 64 H CB -0.345 29.388 29.762 -0.049 0.000 1.377 64 H HN 0.414 nan 8.280 nan 0.000 0.504 65 M N -0.731 118.530 119.600 -0.565 0.000 2.117 65 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 65 M C 2.586 178.353 176.300 -0.888 0.000 1.065 65 M CA 1.661 56.534 55.300 -0.711 0.000 1.114 65 M CB -0.184 31.965 32.600 -0.751 0.000 1.361 65 M HN 0.465 nan 8.290 nan 0.000 0.408 66 A N -1.100 121.139 122.820 -0.968 0.000 1.898 66 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 66 A C 2.023 179.350 177.584 -0.428 0.000 1.183 66 A CA 1.341 52.924 52.037 -0.757 0.000 0.622 66 A CB -1.025 17.643 19.000 -0.553 0.000 0.824 66 A HN 0.527 nan 8.150 nan 0.000 0.444 67 H N 0.013 118.714 119.070 -0.615 0.000 2.428 67 H HA 0.016 4.572 4.556 -0.000 0.000 0.296 67 H C 1.456 176.575 175.328 -0.348 0.000 1.062 67 H CA 1.250 56.983 56.048 -0.526 0.000 1.350 67 H CB -0.167 29.073 29.762 -0.870 0.000 1.403 67 H HN 0.439 nan 8.280 nan 0.000 0.533 68 G N -0.709 107.891 108.800 -0.333 0.000 2.582 68 G HA2 0.013 3.973 3.960 -0.000 0.000 0.232 68 G HA3 0.013 3.973 3.960 -0.000 0.000 0.232 68 G C 1.143 175.909 174.900 -0.223 0.000 1.458 68 G CA 0.520 45.448 45.100 -0.287 0.000 1.062 68 G HN 0.395 nan 8.290 nan 0.000 0.566 69 T N -2.859 111.601 114.554 -0.156 0.000 3.081 69 T HA 0.033 4.383 4.350 -0.000 0.000 0.250 69 T C 1.485 176.163 174.700 -0.036 0.000 1.100 69 T CA 1.241 63.296 62.100 -0.076 0.000 1.038 69 T CB 0.108 68.958 68.868 -0.031 0.000 0.962 69 T HN 0.429 nan 8.240 nan 0.000 0.516 70 D N 0.566 120.925 120.400 -0.067 0.000 2.092 70 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 70 D C 1.455 177.872 176.300 0.195 0.000 0.994 70 D CA 1.161 55.185 54.000 0.040 0.000 0.828 70 D CB -0.152 40.654 40.800 0.011 0.000 0.963 70 D HN 0.339 nan 8.370 nan 0.000 0.450 71 F N 1.458 121.343 119.950 -0.108 0.000 2.146 71 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 71 F C 2.643 178.401 175.800 -0.071 0.000 1.096 71 F CA 0.736 58.684 58.000 -0.086 0.000 1.275 71 F CB -1.228 37.712 39.000 -0.100 0.000 1.008 71 F HN -0.010 nan 8.300 nan 0.000 0.480 72 A N -0.168 122.718 122.820 0.111 0.000 1.940 72 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 72 A C 2.348 179.941 177.584 0.015 0.000 1.176 72 A CA 2.188 54.244 52.037 0.032 0.000 0.631 72 A CB -1.194 17.806 19.000 -0.001 0.000 0.814 72 A HN 0.408 nan 8.150 nan 0.000 0.446 73 S N -0.813 114.903 115.700 0.026 0.000 2.515 73 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 73 S C 1.549 176.150 174.600 0.002 0.000 0.987 73 S CA 0.893 59.103 58.200 0.016 0.000 0.936 73 S CB -0.273 62.944 63.200 0.028 0.000 0.766 73 S HN 0.615 nan 8.310 nan 0.000 0.528 74 R N 0.226 120.716 120.500 -0.017 0.000 2.362 74 R HA 0.331 4.671 4.340 -0.000 0.000 0.227 74 R C 1.312 177.561 176.300 -0.085 0.000 0.905 74 R CA 0.377 56.439 56.100 -0.063 0.000 1.067 74 R CB 0.223 30.446 30.300 -0.129 0.000 1.078 74 R HN 0.522 nan 8.270 nan 0.000 0.516 75 G N 1.530 110.294 108.800 -0.060 0.000 2.141 75 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 75 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 75 G C 0.091 174.945 174.900 -0.078 0.000 0.982 75 G CA -0.304 44.761 45.100 -0.058 0.000 0.662 75 G HN 0.256 nan 8.290 nan 0.000 0.527 76 I N 1.582 122.092 120.570 -0.101 0.000 2.310 76 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 76 I C 0.126 176.235 176.117 -0.013 0.000 1.073 76 I CA -0.325 60.908 61.300 -0.112 0.000 1.216 76 I CB 0.785 38.603 38.000 -0.304 0.000 1.415 76 I HN 0.110 nan 8.210 nan 0.000 0.480 77 E N 7.364 127.556 120.200 -0.013 0.000 2.166 77 E HA 0.659 5.009 4.350 -0.000 0.000 0.275 77 E C -0.880 175.723 176.600 0.005 0.000 0.941 77 E CA -0.679 55.721 56.400 -0.000 0.000 0.784 77 E CB 2.224 31.917 29.700 -0.012 0.000 1.115 77 E HN 0.460 nan 8.360 nan 0.000 0.399 78 M N 0.924 120.526 119.600 0.005 0.000 2.572 78 M HA 0.229 4.709 4.480 -0.000 0.000 0.299 78 M C 0.928 177.220 176.300 -0.013 0.000 1.205 78 M CA -0.620 54.681 55.300 0.003 0.000 0.876 78 M CB 2.069 34.680 32.600 0.018 0.000 1.728 78 M HN 0.545 nan 8.290 nan 0.000 0.458 79 S N 0.392 116.088 115.700 -0.007 0.000 2.472 79 S HA 0.032 4.502 4.470 -0.000 0.000 0.213 79 S C 0.372 174.963 174.600 -0.016 0.000 1.064 79 S CA 0.817 59.012 58.200 -0.009 0.000 1.144 79 S CB -0.184 63.015 63.200 -0.000 0.000 1.085 79 S HN 0.732 nan 8.310 nan 0.000 0.405 80 E N 0.253 120.451 120.200 -0.003 0.000 2.238 80 E HA 0.644 4.994 4.350 -0.000 0.000 0.267 80 E C -1.626 174.985 176.600 0.019 0.000 0.887 80 E CA -0.654 55.747 56.400 0.002 0.000 0.769 80 E CB 2.358 32.071 29.700 0.022 0.000 1.187 80 E HN 0.228 nan 8.360 nan 0.000 0.416 81 V N 3.958 123.890 119.914 0.029 0.000 2.334 81 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 81 V C 0.096 176.314 176.094 0.206 0.000 1.016 81 V CA -0.607 61.737 62.300 0.073 0.000 0.832 81 V CB 1.071 32.881 31.823 -0.021 0.000 0.999 81 V HN 0.377 nan 8.190 nan 0.000 0.439 82 R N 3.491 124.108 120.500 0.194 0.000 2.732 82 R HA 0.619 4.959 4.340 -0.000 0.000 0.278 82 R C -1.085 175.358 176.300 0.240 0.000 0.976 82 R CA -1.050 55.178 56.100 0.213 0.000 0.963 82 R CB 2.601 32.970 30.300 0.115 0.000 1.150 82 R HN 0.504 nan 8.270 nan 0.000 0.478 83 L N 2.358 123.669 121.223 0.147 0.000 2.275 83 L HA 0.297 4.637 4.340 -0.000 0.000 0.288 83 L C -0.428 176.417 176.870 -0.043 0.000 1.046 83 L CA -0.139 54.664 54.840 -0.061 0.000 0.805 83 L CB 0.781 42.626 42.059 -0.355 0.000 1.193 83 L HN 0.463 nan 8.230 nan 0.000 0.426 84 N N 4.744 123.422 118.700 -0.037 0.000 2.707 84 N HA 0.062 4.802 4.740 -0.000 0.000 0.235 84 N C 0.644 176.128 175.510 -0.042 0.000 1.028 84 N CA -0.393 52.645 53.050 -0.021 0.000 0.906 84 N CB 0.600 39.086 38.487 -0.001 0.000 1.131 84 N HN 0.773 nan 8.380 nan 0.000 0.509 85 L N 3.324 124.519 121.223 -0.046 0.000 2.042 85 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 85 L C 1.562 178.425 176.870 -0.012 0.000 1.076 85 L CA 1.937 56.756 54.840 -0.035 0.000 0.749 85 L CB -0.629 41.441 42.059 0.018 0.000 0.893 85 L HN 0.543 nan 8.230 nan 0.000 0.432 86 D N -0.998 119.401 120.400 -0.003 0.000 2.116 86 D HA -0.280 4.360 4.640 -0.000 0.000 0.193 86 D C 2.161 178.458 176.300 -0.005 0.000 0.998 86 D CA 1.514 55.515 54.000 0.001 0.000 0.836 86 D CB 0.020 40.820 40.800 0.000 0.000 0.951 86 D HN 0.153 nan 8.370 nan 0.000 0.449 87 K N -0.033 120.362 120.400 -0.009 0.000 2.097 87 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 87 K C 1.985 178.576 176.600 -0.015 0.000 1.050 87 K CA 0.926 57.207 56.287 -0.009 0.000 0.938 87 K CB -0.322 32.175 32.500 -0.005 0.000 0.718 87 K HN 0.214 nan 8.250 nan 0.000 0.442 88 M N -0.586 118.996 119.600 -0.029 0.000 2.159 88 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 88 M C 1.497 177.774 176.300 -0.038 0.000 1.063 88 M CA 1.356 56.630 55.300 -0.043 0.000 1.110 88 M CB 0.024 32.570 32.600 -0.090 0.000 1.374 88 M HN 0.144 nan 8.290 nan 0.000 0.411 89 M N -0.222 119.363 119.600 -0.025 0.000 2.175 89 M HA -0.184 4.296 4.480 -0.000 0.000 0.264 89 M C 1.965 178.259 176.300 -0.010 0.000 1.063 89 M CA 1.590 56.884 55.300 -0.011 0.000 1.119 89 M CB -1.372 31.236 32.600 0.014 0.000 1.377 89 M HN 0.437 nan 8.290 nan 0.000 0.415 90 E N 0.005 120.200 120.200 -0.010 0.000 2.077 90 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 90 E C 2.068 178.661 176.600 -0.012 0.000 0.989 90 E CA 1.069 57.463 56.400 -0.009 0.000 0.800 90 E CB -0.003 29.692 29.700 -0.008 0.000 0.746 90 E HN 0.380 nan 8.360 nan 0.000 0.452 91 Q N 1.442 121.235 119.800 -0.012 0.000 2.084 91 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 91 Q C 2.079 178.070 176.000 -0.015 0.000 0.978 91 Q CA 1.720 57.517 55.803 -0.010 0.000 0.844 91 Q CB -0.208 28.529 28.738 -0.001 0.000 0.898 91 Q HN 0.225 nan 8.270 nan 0.000 0.426 92 K N -0.246 120.142 120.400 -0.021 0.000 1.985 92 K HA -0.101 4.219 4.320 -0.000 0.000 0.210 92 K C 2.157 178.742 176.600 -0.026 0.000 1.047 92 K CA 1.732 58.002 56.287 -0.028 0.000 0.932 92 K CB -0.110 32.371 32.500 -0.031 0.000 0.716 92 K HN 0.081 nan 8.250 nan 0.000 0.439 93 S N 0.369 116.057 115.700 -0.021 0.000 2.383 93 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 93 S C 1.887 176.471 174.600 -0.026 0.000 1.030 93 S CA 1.816 60.004 58.200 -0.021 0.000 1.002 93 S CB -0.390 62.801 63.200 -0.015 0.000 0.829 93 S HN 0.473 nan 8.310 nan 0.000 0.467 94 T N 2.173 116.713 114.554 -0.023 0.000 2.746 94 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 94 T C 2.163 176.844 174.700 -0.031 0.000 1.039 94 T CA 1.223 63.308 62.100 -0.025 0.000 1.142 94 T CB -0.471 68.385 68.868 -0.019 0.000 0.866 94 T HN 0.473 nan 8.240 nan 0.000 0.444 95 A N 0.918 123.720 122.820 -0.031 0.000 1.877 95 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 95 A C 2.582 180.137 177.584 -0.047 0.000 1.186 95 A CA 1.410 53.425 52.037 -0.036 0.000 0.620 95 A CB -1.074 17.906 19.000 -0.034 0.000 0.822 95 A HN 0.341 nan 8.150 nan 0.000 0.443 96 V N 0.475 120.360 119.914 -0.047 0.000 2.287 96 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 96 V C 2.592 178.648 176.094 -0.064 0.000 1.053 96 V CA 2.457 64.723 62.300 -0.056 0.000 1.027 96 V CB -0.648 31.146 31.823 -0.048 0.000 0.646 96 V HN 0.708 nan 8.190 nan 0.000 0.447 97 K N 0.210 120.578 120.400 -0.053 0.000 2.057 97 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 97 K C 2.171 178.733 176.600 -0.063 0.000 1.049 97 K CA 1.618 57.873 56.287 -0.054 0.000 0.931 97 K CB -0.308 32.168 32.500 -0.040 0.000 0.714 97 K HN 0.422 nan 8.250 nan 0.000 0.440 98 A N 1.285 124.070 122.820 -0.059 0.000 1.933 98 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 98 A C 2.106 179.641 177.584 -0.081 0.000 1.175 98 A CA 1.181 53.180 52.037 -0.063 0.000 0.628 98 A CB -0.472 18.496 19.000 -0.054 0.000 0.814 98 A HN 0.329 nan 8.150 nan 0.000 0.444 99 L N -0.140 121.030 121.223 -0.088 0.000 2.156 99 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 99 L C 2.957 179.726 176.870 -0.169 0.000 1.095 99 L CA 1.602 56.372 54.840 -0.116 0.000 0.770 99 L CB -0.640 41.357 42.059 -0.103 0.000 0.914 99 L HN 0.658 nan 8.230 nan 0.000 0.439 100 T N -3.546 110.915 114.554 -0.156 0.000 2.857 100 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 100 T C 1.931 176.520 174.700 -0.184 0.000 1.048 100 T CA 0.958 62.942 62.100 -0.194 0.000 1.139 100 T CB -0.711 68.072 68.868 -0.142 0.000 0.874 100 T HN 0.349 nan 8.240 nan 0.000 0.455 101 G N 1.099 109.825 108.800 -0.125 0.000 2.408 101 G HA2 0.131 4.091 3.960 -0.000 0.000 0.217 101 G HA3 0.131 4.091 3.960 -0.000 0.000 0.217 101 G C 1.693 176.541 174.900 -0.087 0.000 1.150 101 G CA 0.552 45.597 45.100 -0.091 0.000 0.776 101 G HN 0.643 nan 8.290 nan 0.000 0.542 102 G N 1.020 109.755 108.800 -0.110 0.000 2.422 102 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 102 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 102 G C 1.741 176.567 174.900 -0.123 0.000 1.146 102 G CA 0.726 45.778 45.100 -0.079 0.000 0.769 102 G HN 0.445 nan 8.290 nan 0.000 0.547 103 I N 1.289 121.676 120.570 -0.305 0.000 2.252 103 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 103 I C 3.285 179.087 176.117 -0.525 0.000 1.102 103 I CA 0.862 61.841 61.300 -0.535 0.000 1.385 103 I CB -0.239 37.231 38.000 -0.883 0.000 1.064 103 I HN 0.233 nan 8.210 nan 0.000 0.414 104 A N 0.312 122.906 122.820 -0.376 0.000 1.940 104 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 104 A C 2.189 179.753 177.584 -0.033 0.000 1.176 104 A CA 2.270 54.177 52.037 -0.216 0.000 0.631 104 A CB -1.033 17.913 19.000 -0.089 0.000 0.814 104 A HN 0.559 nan 8.150 nan 0.000 0.446 105 H N -0.330 118.689 119.070 -0.084 0.000 2.389 105 H HA 0.061 4.617 4.556 -0.000 0.000 0.299 105 H C 1.624 176.967 175.328 0.025 0.000 1.081 105 H CA 1.769 57.807 56.048 -0.017 0.000 1.345 105 H CB -0.211 29.533 29.762 -0.031 0.000 1.393 105 H HN 0.379 nan 8.280 nan 0.000 0.520 106 L N -0.921 120.282 121.223 -0.033 0.000 2.217 106 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 106 L C 1.816 178.778 176.870 0.154 0.000 1.107 106 L CA 0.216 55.063 54.840 0.012 0.000 0.783 106 L CB -0.335 41.781 42.059 0.096 0.000 0.919 106 L HN 0.250 nan 8.230 nan 0.000 0.442 107 F N 0.849 120.766 119.950 -0.055 0.000 2.113 107 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 107 F C 2.596 178.367 175.800 -0.049 0.000 1.103 107 F CA 1.228 59.212 58.000 -0.027 0.000 1.248 107 F CB -0.728 38.261 39.000 -0.018 0.000 0.999 107 F HN -0.006 nan 8.300 nan 0.000 0.475 108 K N 0.429 120.903 120.400 0.125 0.000 2.032 108 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 108 K C 2.188 178.754 176.600 -0.056 0.000 1.048 108 K CA 1.759 58.055 56.287 0.015 0.000 0.927 108 K CB -0.372 32.112 32.500 -0.027 0.000 0.712 108 K HN 0.260 nan 8.250 nan 0.000 0.441 109 Q N 0.032 119.736 119.800 -0.161 0.000 2.135 109 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 109 Q C 0.904 176.878 176.000 -0.043 0.000 0.981 109 Q CA 1.587 57.306 55.803 -0.140 0.000 0.856 109 Q CB 0.040 28.648 28.738 -0.215 0.000 0.902 109 Q HN 0.392 nan 8.270 nan 0.000 0.425 110 N N -0.175 118.523 118.700 -0.004 0.000 2.280 110 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 110 N C -0.432 175.073 175.510 -0.007 0.000 1.109 110 N CA 0.207 53.263 53.050 0.009 0.000 0.855 110 N CB 0.708 39.218 38.487 0.039 0.000 0.974 110 N HN 0.066 nan 8.380 nan 0.000 0.482 111 K N -0.151 120.244 120.400 -0.009 0.000 3.192 111 K HA -0.096 4.224 4.320 -0.000 0.000 0.278 111 K C -0.975 175.595 176.600 -0.051 0.000 1.164 111 K CA 0.178 56.454 56.287 -0.019 0.000 0.816 111 K CB -1.913 30.578 32.500 -0.014 0.000 1.256 111 K HN -0.043 nan 8.250 nan 0.000 0.497 112 V N 1.046 120.899 119.914 -0.101 0.000 2.498 112 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 112 V C 0.662 176.650 176.094 -0.176 0.000 1.048 112 V CA -0.761 61.389 62.300 -0.250 0.000 0.967 112 V CB 1.626 33.059 31.823 -0.650 0.000 0.988 112 V HN 0.044 nan 8.190 nan 0.000 0.473 113 V N 5.412 125.249 119.914 -0.127 0.000 2.461 113 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 113 V C 0.224 176.329 176.094 0.019 0.000 1.047 113 V CA -0.425 61.858 62.300 -0.027 0.000 0.955 113 V CB 0.913 32.724 31.823 -0.020 0.000 0.988 113 V HN 0.909 nan 8.190 nan 0.000 0.471 114 H N 4.639 123.712 119.070 0.006 0.000 2.556 114 H HA 0.606 5.162 4.556 -0.000 0.000 0.310 114 H C -1.369 173.995 175.328 0.059 0.000 1.057 114 H CA -0.706 55.392 56.048 0.084 0.000 1.264 114 H CB 1.562 31.462 29.762 0.231 0.000 1.404 114 H HN 0.458 nan 8.280 nan 0.000 0.462 115 V N 6.162 126.159 119.914 0.137 0.000 2.417 115 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 115 V C 0.242 176.329 176.094 -0.011 0.000 1.024 115 V CA -0.956 61.327 62.300 -0.028 0.000 0.861 115 V CB 1.404 33.240 31.823 0.022 0.000 0.985 115 V HN 0.779 nan 8.190 nan 0.000 0.436 116 N N 3.365 121.983 118.700 -0.136 0.000 2.426 116 N HA 0.689 5.429 4.740 -0.000 0.000 0.275 116 N C -0.156 175.370 175.510 0.027 0.000 1.019 116 N CA 0.652 53.686 53.050 -0.027 0.000 0.941 116 N CB 1.840 40.275 38.487 -0.087 0.000 1.123 116 N HN 1.013 nan 8.380 nan 0.000 0.486 117 G N 1.898 110.741 108.800 0.072 0.000 2.336 117 G HA2 0.059 4.019 3.960 -0.000 0.000 0.300 117 G HA3 0.059 4.019 3.960 -0.000 0.000 0.300 117 G C -2.283 172.692 174.900 0.124 0.000 1.375 117 G CA -0.881 44.278 45.100 0.097 0.000 0.885 117 G HN 0.415 nan 8.290 nan 0.000 0.599 118 Y N 1.366 121.701 120.300 0.058 0.000 2.365 118 Y HA 0.524 5.074 4.550 -0.000 0.000 0.340 118 Y C 0.948 176.886 175.900 0.063 0.000 1.016 118 Y CA 0.516 58.659 58.100 0.072 0.000 1.196 118 Y CB 1.123 39.626 38.460 0.071 0.000 1.167 118 Y HN 0.760 nan 8.280 nan 0.000 0.509 119 G N 6.040 114.900 108.800 0.099 0.000 2.353 119 G HA2 0.373 4.333 3.960 -0.000 0.000 0.284 119 G HA3 0.373 4.333 3.960 -0.000 0.000 0.284 119 G C -1.243 173.768 174.900 0.184 0.000 1.172 119 G CA -0.713 44.459 45.100 0.119 0.000 0.854 119 G HN 0.617 nan 8.290 nan 0.000 0.485 120 K N 2.650 123.140 120.400 0.151 0.000 2.443 120 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 120 K C -0.459 176.183 176.600 0.070 0.000 0.933 120 K CA -0.878 55.483 56.287 0.123 0.000 0.792 120 K CB 1.643 34.211 32.500 0.113 0.000 1.185 120 K HN 0.393 nan 8.250 nan 0.000 0.425 121 I N 4.453 125.055 120.570 0.052 0.000 2.421 121 I HA 0.015 4.185 4.170 -0.000 0.000 0.291 121 I C 1.076 177.210 176.117 0.028 0.000 1.089 121 I CA 0.016 61.337 61.300 0.035 0.000 1.354 121 I CB 0.970 38.986 38.000 0.027 0.000 1.413 121 I HN 0.743 nan 8.210 nan 0.000 0.513 122 T N 1.217 115.786 114.554 0.025 0.000 3.105 122 T HA 0.447 4.797 4.350 -0.000 0.000 0.253 122 T C 0.509 175.217 174.700 0.013 0.000 1.047 122 T CA -0.306 61.806 62.100 0.019 0.000 0.944 122 T CB 0.284 69.164 68.868 0.020 0.000 1.016 122 T HN 0.755 nan 8.240 nan 0.000 0.544 123 G N 0.298 109.106 108.800 0.012 0.000 2.411 123 G HA2 0.330 4.290 3.960 -0.000 0.000 0.295 123 G HA3 0.330 4.290 3.960 -0.000 0.000 0.295 123 G C -0.057 174.848 174.900 0.009 0.000 1.542 123 G CA -0.938 44.168 45.100 0.009 0.000 0.814 123 G HN -0.055 nan 8.290 nan 0.000 0.557 124 K N -0.506 119.898 120.400 0.006 0.000 2.218 124 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 124 K C 0.774 177.380 176.600 0.009 0.000 1.046 124 K CA 1.721 58.011 56.287 0.005 0.000 0.933 124 K CB -0.003 32.497 32.500 0.001 0.000 0.728 124 K HN 0.393 nan 8.250 nan 0.000 0.454 125 N N 0.128 118.834 118.700 0.010 0.000 2.433 125 N HA 0.054 4.794 4.740 -0.000 0.000 0.270 125 N C -1.252 174.265 175.510 0.011 0.000 1.354 125 N CA -0.129 52.928 53.050 0.011 0.000 0.889 125 N CB 1.094 39.588 38.487 0.011 0.000 1.285 125 N HN 0.047 nan 8.380 nan 0.000 0.503 126 Q N 0.856 120.664 119.800 0.013 0.000 2.289 126 Q HA 0.508 4.848 4.340 -0.000 0.000 0.270 126 Q C -1.876 174.136 176.000 0.019 0.000 1.038 126 Q CA -0.621 55.191 55.803 0.014 0.000 0.812 126 Q CB 2.066 30.811 28.738 0.013 0.000 1.300 126 Q HN -0.043 nan 8.270 nan 0.000 0.427 127 V N 2.605 122.531 119.914 0.021 0.000 2.531 127 V HA 0.497 4.617 4.120 -0.000 0.000 0.301 127 V C -0.549 175.565 176.094 0.033 0.000 1.034 127 V CA -0.554 61.763 62.300 0.029 0.000 0.865 127 V CB 2.076 33.915 31.823 0.028 0.000 0.995 127 V HN 0.823 nan 8.190 nan 0.000 0.424 128 T N 4.244 118.825 114.554 0.044 0.000 2.756 128 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 128 T C 0.082 174.824 174.700 0.070 0.000 0.985 128 T CA -0.228 61.901 62.100 0.047 0.000 0.955 128 T CB 1.358 70.251 68.868 0.041 0.000 0.930 128 T HN 0.885 nan 8.240 nan 0.000 0.451 129 A N 3.486 126.344 122.820 0.064 0.000 2.253 129 A HA 0.603 4.923 4.320 -0.000 0.000 0.316 129 A C 0.447 178.079 177.584 0.081 0.000 1.327 129 A CA -0.647 51.440 52.037 0.083 0.000 0.917 129 A CB 0.143 19.180 19.000 0.062 0.000 1.162 129 A HN 0.688 nan 8.150 nan 0.000 0.535 130 T N 3.571 118.194 114.554 0.114 0.000 2.744 130 T HA 0.297 4.647 4.350 -0.000 0.000 0.291 130 T C 0.237 174.995 174.700 0.098 0.000 0.957 130 T CA -0.234 61.919 62.100 0.088 0.000 1.002 130 T CB 0.678 69.590 68.868 0.073 0.000 0.919 130 T HN 0.645 nan 8.240 nan 0.000 0.468 131 K N 1.315 121.752 120.400 0.063 0.000 2.138 131 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 131 K C 1.491 178.122 176.600 0.052 0.000 1.015 131 K CA -0.473 55.847 56.287 0.056 0.000 0.917 131 K CB 0.533 33.052 32.500 0.032 0.000 1.021 131 K HN 0.600 nan 8.250 nan 0.000 0.485 132 A N 1.749 124.600 122.820 0.052 0.000 1.940 132 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 132 A C 1.397 178.996 177.584 0.026 0.000 1.176 132 A CA 2.258 54.320 52.037 0.042 0.000 0.631 132 A CB -0.772 18.253 19.000 0.042 0.000 0.814 132 A HN 0.938 nan 8.150 nan 0.000 0.446 133 D N -2.764 117.649 120.400 0.022 0.000 2.378 133 D HA 0.288 4.928 4.640 -0.000 0.000 0.227 133 D C 1.169 177.476 176.300 0.012 0.000 1.012 133 D CA 1.135 55.143 54.000 0.014 0.000 0.905 133 D CB -0.230 40.577 40.800 0.012 0.000 0.895 133 D HN 0.712 nan 8.370 nan 0.000 0.532 134 G N -1.061 107.748 108.800 0.015 0.000 2.234 134 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.235 134 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.235 134 G C 0.683 175.591 174.900 0.013 0.000 0.997 134 G CA -0.145 44.962 45.100 0.011 0.000 0.623 134 G HN 0.790 nan 8.290 nan 0.000 0.514 135 G N 0.134 108.943 108.800 0.014 0.000 2.569 135 G HA2 0.635 4.595 3.960 -0.000 0.000 0.249 135 G HA3 0.635 4.595 3.960 -0.000 0.000 0.249 135 G C 0.319 175.231 174.900 0.019 0.000 1.216 135 G CA 1.242 46.350 45.100 0.013 0.000 0.845 135 G HN 1.502 nan 8.290 nan 0.000 0.568 136 T N -1.998 112.566 114.554 0.017 0.000 2.906 136 T HA 0.630 4.980 4.350 -0.000 0.000 0.295 136 T C -0.836 173.874 174.700 0.018 0.000 1.075 136 T CA -0.877 61.237 62.100 0.023 0.000 1.005 136 T CB 2.350 71.231 68.868 0.023 0.000 1.136 136 T HN 0.562 nan 8.240 nan 0.000 0.498 137 Q N 1.324 121.137 119.800 0.021 0.000 2.292 137 Q HA 0.612 4.952 4.340 -0.000 0.000 0.270 137 Q C -1.756 174.256 176.000 0.020 0.000 1.024 137 Q CA -0.654 55.158 55.803 0.015 0.000 0.768 137 Q CB 1.878 30.623 28.738 0.011 0.000 1.250 137 Q HN 0.759 nan 8.270 nan 0.000 0.447 138 V N 5.059 124.982 119.914 0.016 0.000 2.532 138 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 138 V C -0.313 175.789 176.094 0.013 0.000 1.041 138 V CA -0.709 61.601 62.300 0.017 0.000 0.926 138 V CB 1.563 33.395 31.823 0.014 0.000 0.992 138 V HN 0.695 nan 8.190 nan 0.000 0.457 139 I N 2.979 123.558 120.570 0.014 0.000 2.436 139 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 139 I C -0.737 175.385 176.117 0.009 0.000 1.010 139 I CA -0.833 60.473 61.300 0.009 0.000 1.098 139 I CB 1.695 39.700 38.000 0.008 0.000 1.266 139 I HN 0.507 nan 8.210 nan 0.000 0.434 140 D N 4.082 124.486 120.400 0.007 0.000 2.359 140 D HA 0.394 5.034 4.640 -0.000 0.000 0.230 140 D C 0.126 176.429 176.300 0.005 0.000 1.118 140 D CA 0.207 54.212 54.000 0.008 0.000 0.844 140 D CB 1.739 42.544 40.800 0.009 0.000 1.059 140 D HN 0.460 nan 8.370 nan 0.000 0.493 141 T N 0.793 115.350 114.554 0.004 0.000 2.900 141 T HA 0.240 4.590 4.350 -0.000 0.000 0.295 141 T C 1.015 175.715 174.700 0.000 0.000 1.044 141 T CA -0.643 61.455 62.100 -0.003 0.000 0.995 141 T CB 1.293 70.153 68.868 -0.013 0.000 1.072 141 T HN 0.106 nan 8.240 nan 0.000 0.473 142 K N 2.007 122.405 120.400 -0.003 0.000 2.025 142 K HA 0.083 4.403 4.320 -0.000 0.000 0.207 142 K C 0.542 177.145 176.600 0.006 0.000 1.049 142 K CA 0.968 57.258 56.287 0.006 0.000 0.933 142 K CB 0.055 32.561 32.500 0.011 0.000 0.714 142 K HN 0.438 nan 8.250 nan 0.000 0.438 143 N N 0.308 118.991 118.700 -0.030 0.000 2.319 143 N HA 0.362 5.102 4.740 -0.000 0.000 0.305 143 N C -0.969 174.538 175.510 -0.005 0.000 1.103 143 N CA -0.431 52.621 53.050 0.003 0.000 0.815 143 N CB 2.136 40.572 38.487 -0.085 0.000 1.288 143 N HN -0.050 nan 8.380 nan 0.000 0.493 144 I N 1.666 122.278 120.570 0.070 0.000 2.406 144 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 144 I C -0.864 175.311 176.117 0.097 0.000 0.999 144 I CA -0.892 60.438 61.300 0.050 0.000 1.124 144 I CB 1.991 40.021 38.000 0.049 0.000 1.289 144 I HN 0.172 nan 8.210 nan 0.000 0.441 145 L N 8.384 129.623 121.223 0.028 0.000 2.316 145 L HA 0.561 4.901 4.340 -0.000 0.000 0.280 145 L C -0.719 176.171 176.870 0.033 0.000 1.006 145 L CA -0.107 54.754 54.840 0.034 0.000 0.836 145 L CB 1.045 43.063 42.059 -0.069 0.000 1.221 145 L HN 0.391 nan 8.230 nan 0.000 0.418 146 I N 5.562 126.170 120.570 0.063 0.000 2.352 146 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 146 I C 0.511 176.652 176.117 0.040 0.000 1.036 146 I CA 0.013 61.342 61.300 0.049 0.000 1.336 146 I CB 1.348 39.381 38.000 0.055 0.000 1.407 146 I HN 0.838 nan 8.210 nan 0.000 0.497 147 A N 3.595 126.434 122.820 0.032 0.000 3.234 147 A HA 0.223 4.543 4.320 -0.000 0.000 0.247 147 A C 0.843 178.455 177.584 0.047 0.000 0.938 147 A CA -0.357 51.696 52.037 0.026 0.000 1.039 147 A CB -0.357 18.647 19.000 0.007 0.000 1.197 147 A HN 0.736 nan 8.150 nan 0.000 0.498 148 T N -2.872 111.724 114.554 0.070 0.000 3.160 148 T HA 0.406 4.756 4.350 -0.000 0.000 0.257 148 T C 1.477 176.277 174.700 0.166 0.000 1.147 148 T CA 1.090 63.264 62.100 0.122 0.000 1.064 148 T CB -0.332 68.627 68.868 0.152 0.000 0.949 148 T HN 1.969 nan 8.240 nan 0.000 0.526 149 G N 1.907 110.771 108.800 0.107 0.000 2.596 149 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.295 149 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.295 149 G C 0.086 175.068 174.900 0.136 0.000 1.240 149 G CA 0.567 45.722 45.100 0.092 0.000 0.985 149 G HN 1.615 nan 8.290 nan 0.000 0.555 150 S N -0.533 115.226 115.700 0.098 0.000 2.697 150 S HA 0.812 5.282 4.470 -0.000 0.000 0.289 150 S C -0.661 173.968 174.600 0.048 0.000 1.149 150 S CA 0.379 58.645 58.200 0.110 0.000 0.850 150 S CB 2.526 65.767 63.200 0.068 0.000 1.151 150 S HN 1.729 nan 8.310 nan 0.000 0.491 151 E N -0.553 119.690 120.200 0.073 0.000 2.446 151 E HA 0.639 4.989 4.350 -0.000 0.000 0.276 151 E C -1.443 175.188 176.600 0.050 0.000 0.969 151 E CA -1.298 55.115 56.400 0.020 0.000 0.800 151 E CB 1.356 31.084 29.700 0.047 0.000 1.341 151 E HN 0.403 nan 8.360 nan 0.000 0.460 152 V N 1.447 121.383 119.914 0.038 0.000 2.655 152 V HA 0.089 4.209 4.120 -0.000 0.000 0.300 152 V C 0.108 176.242 176.094 0.067 0.000 1.044 152 V CA 0.176 62.508 62.300 0.052 0.000 1.095 152 V CB 1.007 32.858 31.823 0.046 0.000 0.952 152 V HN 0.687 nan 8.190 nan 0.000 0.485 153 T N 8.285 122.881 114.554 0.070 0.000 2.737 153 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 153 T C -1.957 172.790 174.700 0.077 0.000 0.922 153 T CA -0.583 61.557 62.100 0.066 0.000 1.079 153 T CB 0.776 69.677 68.868 0.055 0.000 0.892 153 T HN 0.603 nan 8.240 nan 0.000 0.514 154 P HA 0.237 nan 4.420 nan 0.000 0.272 154 P C -0.820 176.547 177.300 0.111 0.000 1.240 154 P CA -0.600 62.557 63.100 0.095 0.000 0.791 154 P CB 0.635 32.379 31.700 0.073 0.000 0.978 155 F N 2.281 122.240 119.950 0.015 0.000 2.404 155 F HA 0.411 4.938 4.527 -0.000 0.000 0.354 155 F C -2.177 173.627 175.800 0.006 0.000 1.122 155 F CA -2.925 55.081 58.000 0.010 0.000 1.080 155 F CB 0.753 39.761 39.000 0.013 0.000 1.131 155 F HN 0.121 nan 8.300 nan 0.000 0.471 156 P HA 0.173 nan 4.420 nan 0.000 0.260 156 P C 0.521 177.894 177.300 0.122 0.000 1.185 156 P CA 1.399 64.457 63.100 -0.070 0.000 0.763 156 P CB 0.365 31.941 31.700 -0.207 0.000 0.776 157 G N 2.858 111.731 108.800 0.122 0.000 2.225 157 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 157 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 157 G C 0.075 175.065 174.900 0.150 0.000 0.988 157 G CA -0.311 44.869 45.100 0.134 0.000 0.625 157 G HN 0.512 nan 8.290 nan 0.000 0.527 158 I N 1.882 122.577 120.570 0.209 0.000 2.389 158 I HA 0.396 4.566 4.170 -0.000 0.000 0.288 158 I C -0.226 175.947 176.117 0.093 0.000 0.999 158 I CA -0.605 60.763 61.300 0.114 0.000 1.129 158 I CB 2.117 40.142 38.000 0.042 0.000 1.288 158 I HN -0.029 nan 8.210 nan 0.000 0.444 159 T N 7.158 121.741 114.554 0.048 0.000 2.738 159 T HA 0.468 4.818 4.350 -0.000 0.000 0.298 159 T C 0.261 174.973 174.700 0.021 0.000 0.962 159 T CA -0.323 61.800 62.100 0.039 0.000 0.972 159 T CB 0.313 69.198 68.868 0.028 0.000 0.928 159 T HN 0.272 nan 8.240 nan 0.000 0.474 160 I N 4.148 124.735 120.570 0.027 0.000 2.598 160 I HA 0.056 4.226 4.170 -0.000 0.000 0.284 160 I C 0.855 176.976 176.117 0.005 0.000 1.140 160 I CA 0.161 61.469 61.300 0.013 0.000 1.420 160 I CB 0.587 38.601 38.000 0.024 0.000 1.387 160 I HN 0.720 nan 8.210 nan 0.000 0.553 161 D N 4.667 125.063 120.400 -0.008 0.000 2.527 161 D HA -0.020 4.620 4.640 -0.000 0.000 0.224 161 D C 0.337 176.628 176.300 -0.016 0.000 1.217 161 D CA -0.172 53.823 54.000 -0.009 0.000 0.819 161 D CB 0.221 41.013 40.800 -0.013 0.000 1.061 161 D HN 0.414 nan 8.370 nan 0.000 0.515 162 E N -0.089 120.098 120.200 -0.020 0.000 2.722 162 E HA -0.251 4.099 4.350 -0.000 0.000 0.265 162 E C -0.048 176.528 176.600 -0.039 0.000 1.081 162 E CA 1.417 57.800 56.400 -0.027 0.000 0.781 162 E CB -1.502 28.188 29.700 -0.016 0.000 1.372 162 E HN 0.619 nan 8.360 nan 0.000 0.423 163 D N -0.901 119.471 120.400 -0.047 0.000 3.074 163 D HA 0.081 4.721 4.640 -0.000 0.000 0.227 163 D C 1.666 177.920 176.300 -0.078 0.000 1.553 163 D CA 1.869 55.835 54.000 -0.057 0.000 1.347 163 D CB -0.254 40.519 40.800 -0.044 0.000 1.021 163 D HN 0.073 nan 8.370 nan 0.000 0.260 164 T N -1.379 113.132 114.554 -0.072 0.000 3.037 164 T HA 0.316 4.666 4.350 -0.000 0.000 0.252 164 T C 0.999 175.647 174.700 -0.087 0.000 1.073 164 T CA 0.009 62.056 62.100 -0.088 0.000 1.091 164 T CB 0.194 69.016 68.868 -0.076 0.000 0.935 164 T HN 0.155 nan 8.240 nan 0.000 0.488 165 I N 3.610 124.140 120.570 -0.067 0.000 2.371 165 I HA 0.473 4.643 4.170 -0.000 0.000 0.282 165 I C -0.378 175.710 176.117 -0.048 0.000 1.031 165 I CA -1.290 59.973 61.300 -0.060 0.000 1.180 165 I CB 1.626 39.598 38.000 -0.047 0.000 1.336 165 I HN 0.083 nan 8.210 nan 0.000 0.467 166 V N 2.629 122.510 119.914 -0.055 0.000 2.881 166 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 166 V C 0.258 176.344 176.094 -0.013 0.000 1.070 166 V CA -0.447 61.829 62.300 -0.039 0.000 0.976 166 V CB 1.669 33.455 31.823 -0.062 0.000 1.038 166 V HN 0.713 nan 8.190 nan 0.000 0.446 167 S N 1.243 116.945 115.700 0.004 0.000 2.745 167 S HA 0.381 4.851 4.470 -0.000 0.000 0.292 167 S C 1.396 176.016 174.600 0.033 0.000 1.127 167 S CA 0.094 58.309 58.200 0.025 0.000 1.007 167 S CB 1.039 64.255 63.200 0.028 0.000 1.165 167 S HN 1.763 nan 8.310 nan 0.000 0.544 168 S N 0.115 115.845 115.700 0.050 0.000 2.402 168 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 168 S C 1.663 176.296 174.600 0.056 0.000 1.030 168 S CA 1.774 60.014 58.200 0.065 0.000 1.003 168 S CB -1.620 61.621 63.200 0.069 0.000 0.813 168 S HN 0.772 nan 8.310 nan 0.000 0.477 169 T N 1.978 116.553 114.554 0.035 0.000 2.737 169 T HA 0.053 4.403 4.350 -0.000 0.000 0.265 169 T C 2.081 176.798 174.700 0.027 0.000 1.038 169 T CA 1.422 63.537 62.100 0.025 0.000 1.144 169 T CB -1.082 67.790 68.868 0.007 0.000 0.866 169 T HN 0.639 nan 8.240 nan 0.000 0.434 170 G N 1.003 109.812 108.800 0.014 0.000 2.408 170 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.217 170 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.217 170 G C 1.819 176.723 174.900 0.006 0.000 1.150 170 G CA 0.839 45.937 45.100 -0.003 0.000 0.776 170 G HN 0.568 nan 8.290 nan 0.000 0.542 171 A N 0.483 123.320 122.820 0.029 0.000 2.019 171 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 171 A C 2.292 180.051 177.584 0.292 0.000 1.164 171 A CA 0.989 53.077 52.037 0.086 0.000 0.644 171 A CB -0.307 18.768 19.000 0.126 0.000 0.805 171 A HN 0.367 nan 8.150 nan 0.000 0.449 172 L N -0.676 120.665 121.223 0.196 0.000 2.478 172 L HA 0.016 4.356 4.340 -0.000 0.000 0.223 172 L C 0.925 177.902 176.870 0.177 0.000 1.140 172 L CA 0.706 55.657 54.840 0.185 0.000 0.842 172 L CB 0.135 42.246 42.059 0.088 0.000 0.953 172 L HN 0.243 nan 8.230 nan 0.000 0.452 173 S N -0.430 115.362 115.700 0.153 0.000 2.941 173 S HA 0.323 4.793 4.470 -0.000 0.000 0.251 173 S C 0.343 174.992 174.600 0.082 0.000 1.029 173 S CA -0.510 57.755 58.200 0.109 0.000 1.062 173 S CB 0.319 63.548 63.200 0.048 0.000 0.977 173 S HN 0.083 nan 8.310 nan 0.000 0.552 174 L N 1.829 123.104 121.223 0.086 0.000 2.529 174 L HA 0.110 4.450 4.340 -0.000 0.000 0.287 174 L C 1.390 178.252 176.870 -0.015 0.000 1.241 174 L CA 0.033 54.809 54.840 -0.106 0.000 0.857 174 L CB 0.378 42.114 42.059 -0.537 0.000 1.113 174 L HN 0.082 nan 8.230 nan 0.000 0.504 175 K N 2.055 122.418 120.400 -0.061 0.000 2.393 175 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 175 K C -0.121 176.466 176.600 -0.022 0.000 1.026 175 K CA 0.494 56.767 56.287 -0.022 0.000 1.064 175 K CB 0.108 32.588 32.500 -0.033 0.000 0.833 175 K HN 0.613 nan 8.250 nan 0.000 0.521 176 K N -1.609 118.754 120.400 -0.062 0.000 2.597 176 K HA 0.279 4.599 4.320 -0.000 0.000 0.282 176 K C -0.794 175.746 176.600 -0.099 0.000 0.975 176 K CA -0.835 55.426 56.287 -0.044 0.000 0.867 176 K CB 1.304 33.771 32.500 -0.056 0.000 1.465 176 K HN -0.306 nan 8.250 nan 0.000 0.417 177 V N 2.981 122.891 119.914 -0.008 0.000 2.479 177 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 177 V C -1.693 174.333 176.094 -0.113 0.000 1.031 177 V CA -0.880 61.425 62.300 0.008 0.000 1.038 177 V CB 0.090 31.964 31.823 0.086 0.000 0.981 177 V HN 0.716 nan 8.190 nan 0.000 0.478 178 P HA 0.162 nan 4.420 nan 0.000 0.274 178 P C 0.583 177.814 177.300 -0.116 0.000 1.231 178 P CA -0.311 62.672 63.100 -0.195 0.000 0.790 178 P CB 1.451 32.981 31.700 -0.284 0.000 0.951 179 E N 1.882 122.028 120.200 -0.091 0.000 2.047 179 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 179 E C 0.006 176.565 176.600 -0.068 0.000 0.987 179 E CA 1.068 57.431 56.400 -0.062 0.000 0.799 179 E CB 0.212 29.882 29.700 -0.051 0.000 0.752 179 E HN 0.398 nan 8.360 nan 0.000 0.449 180 K N 0.415 120.763 120.400 -0.086 0.000 2.427 180 K HA 0.401 4.721 4.320 -0.000 0.000 0.252 180 K C -0.965 175.566 176.600 -0.115 0.000 0.931 180 K CA -0.526 55.709 56.287 -0.088 0.000 0.793 180 K CB 2.288 34.746 32.500 -0.070 0.000 1.211 180 K HN 0.038 nan 8.250 nan 0.000 0.426 181 M N 2.820 122.347 119.600 -0.123 0.000 2.386 181 M HA 0.359 4.839 4.480 -0.000 0.000 0.293 181 M C -1.782 174.450 176.300 -0.114 0.000 1.120 181 M CA -0.884 54.331 55.300 -0.141 0.000 0.909 181 M CB 1.945 34.436 32.600 -0.182 0.000 1.661 181 M HN 0.342 nan 8.290 nan 0.000 0.452 182 V N 4.761 124.617 119.914 -0.097 0.000 2.513 182 V HA 0.580 4.700 4.120 -0.000 0.000 0.299 182 V C -0.744 175.319 176.094 -0.050 0.000 1.035 182 V CA -0.634 61.626 62.300 -0.068 0.000 0.889 182 V CB 2.047 33.832 31.823 -0.064 0.000 0.988 182 V HN 0.693 nan 8.190 nan 0.000 0.440 183 V N 6.163 126.073 119.914 -0.005 0.000 2.417 183 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 183 V C -0.124 176.002 176.094 0.054 0.000 1.024 183 V CA -0.463 61.859 62.300 0.038 0.000 0.861 183 V CB 1.698 33.588 31.823 0.111 0.000 0.985 183 V HN 0.647 nan 8.190 nan 0.000 0.436 184 I N 4.625 125.214 120.570 0.032 0.000 2.297 184 I HA 0.683 4.853 4.170 -0.000 0.000 0.291 184 I C 0.751 176.935 176.117 0.113 0.000 1.033 184 I CA 0.025 61.352 61.300 0.044 0.000 1.253 184 I CB 0.977 38.950 38.000 -0.044 0.000 1.396 184 I HN 0.882 nan 8.210 nan 0.000 0.476 185 G N 4.471 113.357 108.800 0.143 0.000 3.438 185 G HA2 0.130 4.090 3.960 -0.000 0.000 0.684 185 G HA3 0.130 4.090 3.960 -0.000 0.000 0.684 185 G C -0.339 174.665 174.900 0.174 0.000 1.192 185 G CA -0.356 44.837 45.100 0.155 0.000 1.013 185 G HN 0.880 nan 8.290 nan 0.000 0.530 186 A N 1.681 124.595 122.820 0.157 0.000 2.842 186 A HA 0.772 5.092 4.320 -0.000 0.000 0.298 186 A C 1.405 179.068 177.584 0.131 0.000 1.293 186 A CA 1.081 53.224 52.037 0.178 0.000 0.959 186 A CB -0.176 18.917 19.000 0.155 0.000 1.119 186 A HN 2.061 nan 8.150 nan 0.000 0.564 187 G N -1.188 107.701 108.800 0.147 0.000 2.535 187 G HA2 0.354 4.314 3.960 -0.000 0.000 0.282 187 G HA3 0.354 4.314 3.960 -0.000 0.000 0.282 187 G C 1.127 176.151 174.900 0.208 0.000 1.350 187 G CA 0.212 45.406 45.100 0.157 0.000 1.039 187 G HN 0.147 nan 8.290 nan 0.000 0.509 188 V N 0.109 120.154 119.914 0.219 0.000 2.252 188 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 188 V C 2.833 179.061 176.094 0.223 0.000 1.056 188 V CA 1.966 64.408 62.300 0.236 0.000 1.022 188 V CB -0.749 31.197 31.823 0.205 0.000 0.641 188 V HN 0.573 nan 8.190 nan 0.000 0.445 189 I N 0.506 121.188 120.570 0.186 0.000 2.179 189 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 189 I C 2.594 178.828 176.117 0.196 0.000 1.088 189 I CA 1.752 63.154 61.300 0.171 0.000 1.357 189 I CB -0.907 37.174 38.000 0.135 0.000 1.051 189 I HN 0.409 nan 8.210 nan 0.000 0.409 190 G N 0.129 109.053 108.800 0.206 0.000 2.422 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 190 G C 1.710 176.816 174.900 0.342 0.000 1.146 190 G CA 0.690 45.933 45.100 0.238 0.000 0.769 190 G HN 0.237 nan 8.290 nan 0.000 0.547 191 V N 0.440 120.569 119.914 0.358 0.000 2.379 191 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 191 V C 2.674 179.053 176.094 0.474 0.000 1.044 191 V CA 2.038 64.612 62.300 0.456 0.000 1.036 191 V CB -0.330 31.698 31.823 0.341 0.000 0.664 191 V HN 0.450 nan 8.190 nan 0.000 0.453 192 E N 0.032 120.435 120.200 0.338 0.000 2.031 192 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 192 E C 2.240 178.954 176.600 0.191 0.000 0.994 192 E CA 1.438 57.995 56.400 0.261 0.000 0.800 192 E CB -0.197 29.631 29.700 0.212 0.000 0.752 192 E HN 0.485 nan 8.360 nan 0.000 0.447 193 L N 0.133 121.470 121.223 0.189 0.000 2.093 193 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 193 L C 2.595 179.564 176.870 0.165 0.000 1.085 193 L CA 1.108 56.047 54.840 0.165 0.000 0.755 193 L CB -0.760 41.424 42.059 0.208 0.000 0.904 193 L HN 0.250 nan 8.230 nan 0.000 0.435 194 G N -0.955 107.936 108.800 0.151 0.000 2.418 194 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 194 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 194 G C 1.816 176.473 174.900 -0.406 0.000 1.158 194 G CA 1.010 46.008 45.100 -0.170 0.000 0.771 194 G HN 0.321 nan 8.290 nan 0.000 0.545 195 S N -0.483 115.184 115.700 -0.056 0.000 2.368 195 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 195 S C 2.547 177.083 174.600 -0.106 0.000 1.030 195 S CA 1.384 59.579 58.200 -0.008 0.000 0.999 195 S CB -0.316 63.030 63.200 0.242 0.000 0.844 195 S HN 0.135 nan 8.310 nan 0.000 0.459 196 V N 0.173 120.005 119.914 -0.136 0.000 2.252 196 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 196 V C 1.991 177.813 176.094 -0.454 0.000 1.056 196 V CA 2.190 64.288 62.300 -0.338 0.000 1.022 196 V CB -0.873 30.635 31.823 -0.525 0.000 0.641 196 V HN 0.682 nan 8.190 nan 0.000 0.445 197 W N -0.734 120.479 121.300 -0.144 0.000 2.436 197 W HA -0.110 4.550 4.660 -0.000 0.000 0.284 197 W C 2.654 179.058 176.519 -0.193 0.000 1.225 197 W CA 1.032 58.278 57.345 -0.165 0.000 1.271 197 W CB -0.311 29.049 29.460 -0.167 0.000 1.114 197 W HN 0.172 nan 8.180 nan 0.000 0.559 198 Q N 1.333 121.075 119.800 -0.097 0.000 2.050 198 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 198 Q C 2.029 177.975 176.000 -0.090 0.000 0.980 198 Q CA 1.641 57.351 55.803 -0.156 0.000 0.840 198 Q CB -0.310 28.237 28.738 -0.319 0.000 0.898 198 Q HN 0.315 nan 8.270 nan 0.000 0.424 199 R N -0.171 120.266 120.500 -0.106 0.000 2.105 199 R HA -0.049 4.291 4.340 -0.000 0.000 0.239 199 R C 2.305 178.624 176.300 0.031 0.000 1.135 199 R CA 1.141 57.208 56.100 -0.056 0.000 0.967 199 R CB -0.195 30.075 30.300 -0.050 0.000 0.861 199 R HN 0.270 nan 8.270 nan 0.000 0.442 200 L N -0.763 120.415 121.223 -0.076 0.000 2.599 200 L HA 0.152 4.492 4.340 -0.000 0.000 0.230 200 L C 1.084 177.921 176.870 -0.054 0.000 1.141 200 L CA 0.539 55.281 54.840 -0.164 0.000 0.877 200 L CB 0.264 42.169 42.059 -0.258 0.000 1.009 200 L HN 0.538 nan 8.230 nan 0.000 0.447 201 G N -0.585 108.220 108.800 0.008 0.000 2.205 201 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.180 201 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.180 201 G C 0.303 175.212 174.900 0.014 0.000 1.004 201 G CA -0.192 44.917 45.100 0.015 0.000 0.670 201 G HN 0.401 nan 8.290 nan 0.000 0.496 202 A N 0.258 123.094 122.820 0.026 0.000 2.351 202 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 202 A C 0.084 177.637 177.584 -0.052 0.000 1.087 202 A CA 0.398 52.430 52.037 -0.008 0.000 0.798 202 A CB 0.588 19.597 19.000 0.015 0.000 1.033 202 A HN 0.356 nan 8.150 nan 0.000 0.488 203 D N 1.825 122.187 120.400 -0.063 0.000 2.380 203 D HA 0.395 5.035 4.640 -0.000 0.000 0.230 203 D C -0.878 175.355 176.300 -0.112 0.000 1.154 203 D CA 0.125 54.082 54.000 -0.073 0.000 0.859 203 D CB 0.623 41.392 40.800 -0.051 0.000 1.045 203 D HN 0.103 nan 8.370 nan 0.000 0.495 204 V N 3.615 123.427 119.914 -0.169 0.000 2.495 204 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 204 V C 0.305 176.279 176.094 -0.201 0.000 1.031 204 V CA -0.614 61.537 62.300 -0.249 0.000 0.871 204 V CB 2.058 33.576 31.823 -0.509 0.000 0.988 204 V HN 0.556 nan 8.190 nan 0.000 0.432 205 T N 3.626 118.105 114.554 -0.125 0.000 2.879 205 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 205 T C -0.271 174.436 174.700 0.013 0.000 0.993 205 T CA -0.329 61.739 62.100 -0.053 0.000 0.975 205 T CB 1.681 70.529 68.868 -0.033 0.000 0.981 205 T HN 0.934 nan 8.240 nan 0.000 0.439 206 A N 2.872 125.727 122.820 0.058 0.000 2.292 206 A HA 0.774 5.094 4.320 -0.000 0.000 0.319 206 A C -0.357 177.321 177.584 0.157 0.000 1.206 206 A CA -0.595 51.537 52.037 0.158 0.000 0.835 206 A CB 0.690 19.866 19.000 0.294 0.000 1.164 206 A HN 0.680 nan 8.150 nan 0.000 0.505 207 V N 2.398 122.389 119.914 0.128 0.000 2.398 207 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 207 V C -0.247 175.929 176.094 0.136 0.000 1.026 207 V CA -0.333 62.036 62.300 0.114 0.000 0.868 207 V CB 1.219 33.084 31.823 0.069 0.000 0.982 207 V HN 1.004 nan 8.190 nan 0.000 0.443 208 E N 2.995 123.271 120.200 0.127 0.000 2.256 208 E HA 0.363 4.713 4.350 -0.000 0.000 0.268 208 E C -0.045 176.617 176.600 0.104 0.000 0.877 208 E CA -0.682 55.789 56.400 0.118 0.000 0.757 208 E CB 1.525 31.262 29.700 0.061 0.000 1.183 208 E HN 0.385 nan 8.360 nan 0.000 0.418 209 F N 4.855 124.827 119.950 0.036 0.000 2.134 209 F HA 0.144 4.671 4.527 -0.000 0.000 0.299 209 F C 0.199 175.998 175.800 -0.001 0.000 1.097 209 F CA 0.991 59.009 58.000 0.029 0.000 1.264 209 F CB 0.127 39.151 39.000 0.040 0.000 1.001 209 F HN 0.446 nan 8.300 nan 0.000 0.479 210 L N -0.166 120.964 121.223 -0.156 0.000 2.476 210 L HA 0.211 4.551 4.340 -0.000 0.000 0.255 210 L C 1.731 178.448 176.870 -0.256 0.000 1.218 210 L CA 0.121 54.800 54.840 -0.270 0.000 0.819 210 L CB -0.007 41.940 42.059 -0.187 0.000 1.119 210 L HN 0.130 nan 8.230 nan 0.000 0.485 211 G N -0.860 107.834 108.800 -0.176 0.000 3.314 211 G HA2 0.095 4.055 3.960 -0.000 0.000 0.238 211 G HA3 0.095 4.055 3.960 -0.000 0.000 0.238 211 G C 0.175 175.052 174.900 -0.039 0.000 1.184 211 G CA 0.045 45.084 45.100 -0.102 0.000 0.806 211 G HN 0.770 nan 8.290 nan 0.000 0.536 212 H N -2.342 116.657 119.070 -0.117 0.000 3.017 212 H HA 0.553 5.109 4.556 -0.000 0.000 0.346 212 H C -1.246 173.996 175.328 -0.142 0.000 1.286 212 H CA -0.746 55.216 56.048 -0.143 0.000 1.120 212 H CB 1.239 30.929 29.762 -0.120 0.000 1.860 212 H HN 0.156 nan 8.280 nan 0.000 0.542 213 V N -2.180 117.628 119.914 -0.178 0.000 2.966 213 V HA 0.762 4.882 4.120 -0.000 0.000 0.317 213 V C 1.040 177.193 176.094 0.098 0.000 1.070 213 V CA 0.220 62.411 62.300 -0.181 0.000 1.008 213 V CB 0.809 32.369 31.823 -0.438 0.000 1.070 213 V HN 1.493 nan 8.190 nan 0.000 0.457 214 G N 0.172 109.062 108.800 0.150 0.000 2.184 214 G HA2 0.308 4.268 3.960 -0.000 0.000 0.206 214 G HA3 0.308 4.268 3.960 -0.000 0.000 0.206 214 G C 1.517 176.581 174.900 0.273 0.000 0.995 214 G CA 0.350 45.611 45.100 0.268 0.000 0.651 214 G HN 2.985 nan 8.290 nan 0.000 0.511 215 G N -1.660 107.257 108.800 0.196 0.000 2.693 215 G HA2 0.127 4.087 3.960 -0.000 0.000 0.226 215 G HA3 0.127 4.087 3.960 -0.000 0.000 0.226 215 G C 0.179 175.255 174.900 0.294 0.000 1.354 215 G CA 0.117 45.347 45.100 0.217 0.000 0.873 215 G HN 1.482 nan 8.290 nan 0.000 0.562 216 V N 1.603 121.664 119.914 0.245 0.000 2.655 216 V HA 0.436 4.555 4.120 -0.000 0.000 0.300 216 V C 1.964 178.193 176.094 0.225 0.000 1.044 216 V CA 2.246 64.674 62.300 0.213 0.000 1.095 216 V CB 0.509 32.429 31.823 0.161 0.000 0.952 216 V HN 2.824 nan 8.190 nan 0.000 0.485 217 G N 4.488 113.354 108.800 0.110 0.000 2.205 217 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 217 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 217 G C 0.305 175.067 174.900 -0.230 0.000 0.980 217 G CA 0.341 45.485 45.100 0.073 0.000 0.632 217 G HN 0.751 nan 8.290 nan 0.000 0.533 218 I N 1.503 121.813 120.570 -0.434 0.000 2.634 218 I HA 0.363 4.533 4.170 -0.000 0.000 0.284 218 I C 0.613 176.293 176.117 -0.729 0.000 1.124 218 I CA -0.252 60.385 61.300 -1.105 0.000 1.417 218 I CB 0.533 38.039 38.000 -0.823 0.000 1.396 218 I HN 0.229 nan 8.210 nan 0.000 0.571 219 D N 6.093 126.041 120.400 -0.753 0.000 2.424 219 D HA -0.022 4.618 4.640 -0.000 0.000 0.244 219 D C 1.072 177.107 176.300 -0.442 0.000 1.134 219 D CA -0.160 53.488 54.000 -0.588 0.000 0.881 219 D CB 0.929 41.259 40.800 -0.785 0.000 1.191 219 D HN 0.431 nan 8.370 nan 0.000 0.445 220 M N 2.355 121.733 119.600 -0.370 0.000 2.117 220 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 220 M C 1.820 178.001 176.300 -0.199 0.000 1.065 220 M CA 1.504 56.627 55.300 -0.295 0.000 1.114 220 M CB -1.034 31.421 32.600 -0.241 0.000 1.361 220 M HN 0.710 nan 8.290 nan 0.000 0.408 221 E N 0.329 120.422 120.200 -0.179 0.000 2.077 221 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 221 E C 1.984 178.528 176.600 -0.093 0.000 0.989 221 E CA 0.997 57.328 56.400 -0.115 0.000 0.800 221 E CB 0.171 29.811 29.700 -0.099 0.000 0.746 221 E HN 0.279 nan 8.360 nan 0.000 0.452 222 I N 1.006 121.497 120.570 -0.131 0.000 2.163 222 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 222 I C 2.670 178.767 176.117 -0.033 0.000 1.085 222 I CA 1.256 62.506 61.300 -0.082 0.000 1.347 222 I CB -1.444 36.477 38.000 -0.132 0.000 1.044 222 I HN 0.189 nan 8.210 nan 0.000 0.408 223 S N 0.441 116.088 115.700 -0.088 0.000 2.370 223 S HA -0.190 4.280 4.470 -0.000 0.000 0.226 223 S C 2.038 176.653 174.600 0.024 0.000 1.033 223 S CA 1.321 59.525 58.200 0.006 0.000 1.011 223 S CB -0.009 63.156 63.200 -0.059 0.000 0.852 223 S HN 0.289 nan 8.310 nan 0.000 0.457 224 K N 1.010 121.390 120.400 -0.033 0.000 2.103 224 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 224 K C 1.853 178.441 176.600 -0.019 0.000 1.052 224 K CA 1.049 57.308 56.287 -0.046 0.000 0.945 224 K CB -0.619 31.849 32.500 -0.053 0.000 0.722 224 K HN 0.386 nan 8.250 nan 0.000 0.443 225 N N 0.815 119.525 118.700 0.017 0.000 2.188 225 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 225 N C 1.565 177.136 175.510 0.101 0.000 1.018 225 N CA 0.680 53.757 53.050 0.044 0.000 0.858 225 N CB -0.470 38.045 38.487 0.048 0.000 0.989 225 N HN 0.095 nan 8.380 nan 0.000 0.426 226 F N 2.157 122.074 119.950 -0.055 0.000 2.075 226 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 226 F C 2.486 178.240 175.800 -0.078 0.000 1.113 226 F CA 1.549 59.519 58.000 -0.049 0.000 1.218 226 F CB -0.736 38.234 39.000 -0.051 0.000 0.984 226 F HN 0.084 nan 8.300 nan 0.000 0.472 227 Q N 0.426 120.082 119.800 -0.240 0.000 2.096 227 Q HA -0.292 4.048 4.340 -0.000 0.000 0.204 227 Q C 2.555 178.426 176.000 -0.215 0.000 0.982 227 Q CA 2.086 57.612 55.803 -0.462 0.000 0.850 227 Q CB -0.414 28.039 28.738 -0.475 0.000 0.901 227 Q HN 0.522 nan 8.270 nan 0.000 0.422 228 R N 0.054 120.493 120.500 -0.100 0.000 2.096 228 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 228 R C 2.189 178.489 176.300 0.001 0.000 1.127 228 R CA 1.576 57.658 56.100 -0.029 0.000 0.968 228 R CB -0.269 30.027 30.300 -0.007 0.000 0.861 228 R HN 0.375 nan 8.270 nan 0.000 0.440 229 I N 0.646 121.219 120.570 0.004 0.000 2.252 229 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 229 I C 2.101 178.235 176.117 0.029 0.000 1.102 229 I CA 1.113 62.438 61.300 0.041 0.000 1.385 229 I CB -0.139 37.916 38.000 0.091 0.000 1.064 229 I HN 0.223 nan 8.210 nan 0.000 0.414 230 L N -0.116 121.074 121.223 -0.054 0.000 2.131 230 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 230 L C 2.575 179.511 176.870 0.111 0.000 1.092 230 L CA 1.318 56.157 54.840 -0.001 0.000 0.759 230 L CB -0.583 41.377 42.059 -0.166 0.000 0.903 230 L HN 0.321 nan 8.230 nan 0.000 0.435 231 Q N 0.035 119.899 119.800 0.107 0.000 2.119 231 Q HA -0.199 4.141 4.340 -0.000 0.000 0.201 231 Q C 2.163 178.219 176.000 0.092 0.000 0.972 231 Q CA 1.303 57.183 55.803 0.129 0.000 0.847 231 Q CB 0.015 28.824 28.738 0.118 0.000 0.903 231 Q HN 0.448 nan 8.270 nan 0.000 0.433 232 K N 0.456 120.901 120.400 0.076 0.000 2.211 232 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 232 K C 1.926 178.575 176.600 0.081 0.000 1.050 232 K CA 0.937 57.267 56.287 0.073 0.000 0.945 232 K CB 0.050 32.593 32.500 0.070 0.000 0.732 232 K HN 0.279 nan 8.250 nan 0.000 0.451 233 Q N -0.752 119.099 119.800 0.085 0.000 2.369 233 Q HA -0.031 4.309 4.340 -0.000 0.000 0.206 233 Q C 1.036 177.069 176.000 0.056 0.000 0.963 233 Q CA 0.954 56.798 55.803 0.068 0.000 0.894 233 Q CB 0.445 29.217 28.738 0.058 0.000 0.965 233 Q HN 0.560 nan 8.270 nan 0.000 0.475 234 G N 0.091 108.938 108.800 0.078 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 -0.411 174.530 174.900 0.067 0.000 1.004 234 G CA -0.578 44.556 45.100 0.056 0.000 0.670 234 G HN 0.260 nan 8.290 nan 0.000 0.496 235 F N 3.575 123.463 119.950 -0.105 0.000 2.444 235 F HA 0.596 5.123 4.527 -0.000 0.000 0.360 235 F C 0.722 176.300 175.800 -0.369 0.000 1.106 235 F CA -0.934 56.917 58.000 -0.248 0.000 1.170 235 F CB 0.457 39.309 39.000 -0.246 0.000 1.113 235 F HN 0.019 nan 8.300 nan 0.000 0.521 236 K N 5.938 126.350 120.400 0.020 0.000 2.110 236 K HA 0.520 4.840 4.320 -0.000 0.000 0.263 236 K C -1.361 175.013 176.600 -0.377 0.000 0.975 236 K CA -0.471 55.754 56.287 -0.104 0.000 0.895 236 K CB 1.411 33.900 32.500 -0.020 0.000 1.060 236 K HN 0.376 nan 8.250 nan 0.000 0.448 237 F N 0.884 120.854 119.950 0.032 0.000 2.551 237 F HA 0.379 4.906 4.527 -0.000 0.000 0.316 237 F C -0.008 175.788 175.800 -0.007 0.000 1.089 237 F CA -0.904 57.088 58.000 -0.014 0.000 0.915 237 F CB 1.936 40.868 39.000 -0.113 0.000 1.186 237 F HN 0.127 nan 8.300 nan 0.000 0.456 238 K N 4.351 124.868 120.400 0.196 0.000 2.579 238 K HA 0.476 4.796 4.320 -0.000 0.000 0.225 238 K C -0.987 175.666 176.600 0.087 0.000 0.992 238 K CA -0.293 56.058 56.287 0.107 0.000 1.018 238 K CB 1.205 33.748 32.500 0.072 0.000 1.249 238 K HN 0.504 nan 8.250 nan 0.000 0.489 239 L N 1.428 122.679 121.223 0.047 0.000 2.468 239 L HA 0.236 4.576 4.340 -0.000 0.000 0.254 239 L C 0.689 177.527 176.870 -0.054 0.000 1.171 239 L CA -0.720 54.108 54.840 -0.020 0.000 0.809 239 L CB 0.275 42.293 42.059 -0.068 0.000 1.155 239 L HN 0.672 nan 8.230 nan 0.000 0.473 240 N N 0.236 118.856 118.700 -0.134 0.000 2.714 240 N HA -0.151 4.589 4.740 -0.000 0.000 0.252 240 N C -0.674 174.777 175.510 -0.098 0.000 1.014 240 N CA 0.896 53.824 53.050 -0.204 0.000 0.735 240 N CB -1.123 37.268 38.487 -0.159 0.000 0.924 240 N HN 0.697 nan 8.380 nan 0.000 0.540 241 T N 0.060 114.601 114.554 -0.022 0.000 2.912 241 T HA 0.509 4.859 4.350 -0.000 0.000 0.299 241 T C 0.163 174.959 174.700 0.160 0.000 1.052 241 T CA -0.959 61.178 62.100 0.062 0.000 0.996 241 T CB 2.629 71.532 68.868 0.058 0.000 1.070 241 T HN 0.257 nan 8.240 nan 0.000 0.465 242 K N 0.348 120.858 120.400 0.184 0.000 2.267 242 K HA 0.823 5.143 4.320 -0.000 0.000 0.246 242 K C -1.234 175.470 176.600 0.174 0.000 0.954 242 K CA -0.961 55.467 56.287 0.236 0.000 0.824 242 K CB 1.656 34.309 32.500 0.256 0.000 1.167 242 K HN 0.253 nan 8.250 nan 0.000 0.431 243 V N 2.471 122.510 119.914 0.209 0.000 2.407 243 V HA 0.101 4.221 4.120 -0.000 0.000 0.278 243 V C 1.052 177.274 176.094 0.214 0.000 1.037 243 V CA -0.291 62.081 62.300 0.120 0.000 0.900 243 V CB 1.150 32.924 31.823 -0.081 0.000 0.983 243 V HN 1.111 nan 8.190 nan 0.000 0.459 244 T N 0.769 115.401 114.554 0.129 0.000 3.065 244 T HA 0.484 4.834 4.350 -0.000 0.000 0.252 244 T C 0.686 175.467 174.700 0.136 0.000 1.099 244 T CA 0.453 62.638 62.100 0.141 0.000 1.063 244 T CB 0.393 69.314 68.868 0.088 0.000 0.948 244 T HN 1.160 nan 8.240 nan 0.000 0.506 245 G N -0.193 108.651 108.800 0.074 0.000 2.313 245 G HA2 0.579 4.539 3.960 -0.000 0.000 0.296 245 G HA3 0.579 4.539 3.960 -0.000 0.000 0.296 245 G C -2.034 172.842 174.900 -0.040 0.000 1.356 245 G CA -0.424 44.702 45.100 0.042 0.000 0.833 245 G HN 0.774 nan 8.290 nan 0.000 0.552 246 A N -0.871 121.925 122.820 -0.040 0.000 2.549 246 A HA 0.967 5.287 4.320 -0.000 0.000 0.297 246 A C -0.544 177.021 177.584 -0.032 0.000 1.061 246 A CA 0.190 52.191 52.037 -0.060 0.000 0.690 246 A CB 2.036 20.971 19.000 -0.108 0.000 1.287 246 A HN 2.031 nan 8.150 nan 0.000 0.402 247 T N 0.917 115.452 114.554 -0.031 0.000 2.952 247 T HA 0.513 4.863 4.350 -0.000 0.000 0.305 247 T C -0.899 173.785 174.700 -0.027 0.000 1.064 247 T CA -0.528 61.559 62.100 -0.021 0.000 1.008 247 T CB 0.712 69.572 68.868 -0.013 0.000 1.078 247 T HN 0.626 nan 8.240 nan 0.000 0.459 248 K N 3.633 124.018 120.400 -0.024 0.000 2.298 248 K HA 0.396 4.716 4.320 -0.000 0.000 0.280 248 K C 0.275 176.861 176.600 -0.023 0.000 1.032 248 K CA -0.767 55.504 56.287 -0.027 0.000 0.958 248 K CB 0.627 33.112 32.500 -0.025 0.000 0.978 248 K HN 0.384 nan 8.250 nan 0.000 0.472 249 K N 0.680 121.065 120.400 -0.026 0.000 2.139 249 K HA 0.105 4.425 4.320 -0.000 0.000 0.243 249 K C 1.302 177.890 176.600 -0.020 0.000 0.983 249 K CA -0.275 55.999 56.287 -0.022 0.000 0.890 249 K CB 1.535 34.020 32.500 -0.024 0.000 1.090 249 K HN 0.706 nan 8.250 nan 0.000 0.445 250 S N 0.226 115.915 115.700 -0.017 0.000 2.387 250 S HA -0.208 4.262 4.470 -0.000 0.000 0.230 250 S C 0.946 175.535 174.600 -0.018 0.000 1.035 250 S CA 1.909 60.100 58.200 -0.016 0.000 1.014 250 S CB -0.367 62.826 63.200 -0.013 0.000 0.836 250 S HN 0.701 nan 8.310 nan 0.000 0.466 251 D N -0.016 120.372 120.400 -0.021 0.000 2.358 251 D HA 0.328 4.968 4.640 -0.000 0.000 0.224 251 D C 1.324 177.607 176.300 -0.028 0.000 1.123 251 D CA 0.423 54.409 54.000 -0.023 0.000 0.833 251 D CB -0.417 40.369 40.800 -0.022 0.000 0.946 251 D HN 0.611 nan 8.370 nan 0.000 0.505 252 G N 0.167 108.949 108.800 -0.030 0.000 2.199 252 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 252 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 252 G C 0.401 175.275 174.900 -0.044 0.000 0.982 252 G CA 0.240 45.319 45.100 -0.036 0.000 0.632 252 G HN 0.469 nan 8.290 nan 0.000 0.529 253 K N -0.331 120.044 120.400 -0.042 0.000 2.140 253 K HA 0.699 5.019 4.320 -0.000 0.000 0.237 253 K C 0.013 176.585 176.600 -0.047 0.000 1.045 253 K CA -0.211 56.047 56.287 -0.048 0.000 0.896 253 K CB 0.817 33.291 32.500 -0.043 0.000 1.122 253 K HN 0.226 nan 8.250 nan 0.000 0.503 254 I N 0.886 121.424 120.570 -0.052 0.000 2.498 254 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 254 I C -1.053 175.035 176.117 -0.049 0.000 1.032 254 I CA -0.733 60.535 61.300 -0.052 0.000 1.073 254 I CB 2.022 39.984 38.000 -0.064 0.000 1.251 254 I HN 0.358 nan 8.210 nan 0.000 0.426 255 D N 5.445 125.820 120.400 -0.041 0.000 2.274 255 D HA 0.396 5.036 4.640 -0.000 0.000 0.239 255 D C -0.672 175.602 176.300 -0.042 0.000 1.104 255 D CA -0.005 53.974 54.000 -0.036 0.000 0.840 255 D CB 2.010 42.795 40.800 -0.025 0.000 1.100 255 D HN 0.030 nan 8.370 nan 0.000 0.477 256 V N 2.524 122.410 119.914 -0.046 0.000 2.370 256 V HA 0.309 4.429 4.120 -0.000 0.000 0.283 256 V C 0.210 176.284 176.094 -0.034 0.000 1.023 256 V CA -0.704 61.562 62.300 -0.056 0.000 0.857 256 V CB 1.554 33.333 31.823 -0.073 0.000 0.985 256 V HN 0.435 nan 8.190 nan 0.000 0.443 257 S N 6.444 122.130 115.700 -0.024 0.000 2.499 257 S HA 0.746 5.216 4.470 -0.000 0.000 0.279 257 S C -0.150 174.457 174.600 0.012 0.000 1.219 257 S CA -0.402 57.798 58.200 -0.000 0.000 1.062 257 S CB 0.799 64.006 63.200 0.012 0.000 0.978 257 S HN 0.707 nan 8.310 nan 0.000 0.489 258 I N -0.353 120.230 120.570 0.021 0.000 3.042 258 I HA 0.791 4.961 4.170 -0.000 0.000 0.310 258 I C -0.775 175.369 176.117 0.046 0.000 1.117 258 I CA -0.924 60.399 61.300 0.039 0.000 1.003 258 I CB 2.245 40.264 38.000 0.033 0.000 1.228 258 I HN 0.437 nan 8.210 nan 0.000 0.443 259 E N 1.658 121.895 120.200 0.062 0.000 2.412 259 E HA 0.610 4.960 4.350 -0.000 0.000 0.279 259 E C -1.123 175.514 176.600 0.063 0.000 0.984 259 E CA -1.222 55.212 56.400 0.057 0.000 0.788 259 E CB 2.343 32.081 29.700 0.063 0.000 1.277 259 E HN 0.893 nan 8.360 nan 0.000 0.455 260 A N 0.790 123.639 122.820 0.047 0.000 2.466 260 A HA 0.347 4.667 4.320 -0.000 0.000 0.238 260 A C 1.171 178.793 177.584 0.063 0.000 1.074 260 A CA 0.823 52.882 52.037 0.037 0.000 0.774 260 A CB 0.263 19.276 19.000 0.021 0.000 1.015 260 A HN 0.764 nan 8.150 nan 0.000 0.498 261 A N 1.309 124.159 122.820 0.049 0.000 1.940 261 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 261 A C 2.118 179.787 177.584 0.141 0.000 1.176 261 A CA 2.298 54.412 52.037 0.128 0.000 0.631 261 A CB -0.853 18.097 19.000 -0.084 0.000 0.814 261 A HN 1.774 nan 8.150 nan 0.000 0.446 262 S N -1.340 114.400 115.700 0.068 0.000 2.710 262 S HA 0.456 4.926 4.470 -0.000 0.000 0.224 262 S C 0.786 175.420 174.600 0.056 0.000 0.948 262 S CA 0.571 58.811 58.200 0.066 0.000 0.949 262 S CB -0.949 62.272 63.200 0.035 0.000 0.778 262 S HN 2.057 nan 8.310 nan 0.000 0.498 263 G N -0.684 108.152 108.800 0.060 0.000 2.712 263 G HA2 0.456 4.416 3.960 -0.000 0.000 0.686 263 G HA3 0.456 4.416 3.960 -0.000 0.000 0.686 263 G C 0.200 175.122 174.900 0.037 0.000 1.181 263 G CA -0.562 44.568 45.100 0.049 0.000 0.762 263 G HN 1.921 nan 8.290 nan 0.000 0.641 264 G N 0.871 109.692 108.800 0.035 0.000 2.698 264 G HA2 0.325 4.285 3.960 -0.000 0.000 0.225 264 G HA3 0.325 4.285 3.960 -0.000 0.000 0.225 264 G C 0.541 175.457 174.900 0.027 0.000 1.345 264 G CA 0.995 46.111 45.100 0.027 0.000 0.871 264 G HN 2.424 nan 8.290 nan 0.000 0.540 265 K N -1.730 118.682 120.400 0.021 0.000 3.077 265 K HA -0.004 4.316 4.320 -0.000 0.000 0.264 265 K C 0.812 177.425 176.600 0.022 0.000 1.008 265 K CA 1.412 57.710 56.287 0.019 0.000 0.740 265 K CB -1.557 30.954 32.500 0.018 0.000 1.273 265 K HN 2.329 nan 8.250 nan 0.000 0.477 266 A N 1.687 124.520 122.820 0.022 0.000 2.498 266 A HA 0.303 4.623 4.320 -0.000 0.000 0.239 266 A C 0.137 177.732 177.584 0.018 0.000 1.068 266 A CA 0.888 52.938 52.037 0.023 0.000 0.766 266 A CB 0.164 19.177 19.000 0.022 0.000 1.003 266 A HN 0.544 nan 8.150 nan 0.000 0.497 267 E N 0.029 120.239 120.200 0.017 0.000 2.401 267 E HA 0.565 4.915 4.350 -0.000 0.000 0.280 267 E C -1.766 174.839 176.600 0.007 0.000 1.039 267 E CA -1.017 55.389 56.400 0.011 0.000 0.814 267 E CB 1.512 31.218 29.700 0.011 0.000 1.275 267 E HN 0.299 nan 8.360 nan 0.000 0.448 268 V N 1.888 121.803 119.914 0.002 0.000 2.495 268 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 268 V C -0.511 175.577 176.094 -0.009 0.000 1.031 268 V CA -0.566 61.731 62.300 -0.005 0.000 0.871 268 V CB 1.277 33.096 31.823 -0.006 0.000 0.988 268 V HN 0.548 nan 8.190 nan 0.000 0.432 269 I N 3.469 124.030 120.570 -0.016 0.000 2.406 269 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 269 I C 0.073 176.172 176.117 -0.030 0.000 0.999 269 I CA -0.195 61.092 61.300 -0.021 0.000 1.124 269 I CB 2.225 40.212 38.000 -0.022 0.000 1.289 269 I HN 0.504 nan 8.210 nan 0.000 0.441 270 T N 4.968 119.504 114.554 -0.031 0.000 2.867 270 T HA 0.584 4.934 4.350 -0.000 0.000 0.282 270 T C -0.386 174.286 174.700 -0.047 0.000 1.000 270 T CA -0.468 61.610 62.100 -0.037 0.000 1.042 270 T CB 1.207 70.056 68.868 -0.031 0.000 0.973 270 T HN 0.826 nan 8.240 nan 0.000 0.465 271 C N 0.912 120.178 119.300 -0.057 0.000 3.291 271 C HA 0.614 5.074 4.460 -0.000 0.000 0.316 271 C C 0.615 175.559 174.990 -0.077 0.000 1.391 271 C CA -0.786 58.190 59.018 -0.070 0.000 1.394 271 C CB 1.106 28.798 27.740 -0.080 0.000 1.744 271 C HN 0.821 nan 8.230 nan 0.000 0.461 272 D N 0.023 120.367 120.400 -0.093 0.000 2.277 272 D HA 0.152 4.792 4.640 -0.000 0.000 0.209 272 D C 0.119 176.345 176.300 -0.122 0.000 0.970 272 D CA 1.267 55.207 54.000 -0.100 0.000 0.874 272 D CB 0.852 41.588 40.800 -0.107 0.000 0.982 272 D HN 0.415 nan 8.370 nan 0.000 0.504 273 V N 1.740 121.567 119.914 -0.145 0.000 2.638 273 V HA 0.285 4.405 4.120 -0.000 0.000 0.306 273 V C -1.042 174.967 176.094 -0.143 0.000 1.052 273 V CA -0.896 61.305 62.300 -0.166 0.000 0.885 273 V CB 2.859 34.532 31.823 -0.250 0.000 0.999 273 V HN -0.047 nan 8.190 nan 0.000 0.424 274 L N 6.026 127.176 121.223 -0.122 0.000 2.319 274 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 274 L C -1.014 175.800 176.870 -0.093 0.000 1.005 274 L CA -0.356 54.420 54.840 -0.106 0.000 0.828 274 L CB 1.390 43.387 42.059 -0.104 0.000 1.227 274 L HN 0.636 nan 8.230 nan 0.000 0.415 275 L N 6.652 127.830 121.223 -0.075 0.000 2.265 275 L HA 0.560 4.900 4.340 -0.000 0.000 0.289 275 L C -0.993 175.869 176.870 -0.015 0.000 1.033 275 L CA -0.160 54.657 54.840 -0.038 0.000 0.814 275 L CB 1.528 43.579 42.059 -0.014 0.000 1.203 275 L HN 0.404 nan 8.230 nan 0.000 0.423 276 V N 5.372 125.284 119.914 -0.003 0.000 2.334 276 V HA 0.262 4.382 4.120 -0.000 0.000 0.267 276 V C -0.016 176.121 176.094 0.072 0.000 1.040 276 V CA -0.345 61.969 62.300 0.023 0.000 0.866 276 V CB 0.531 32.373 31.823 0.032 0.000 1.019 276 V HN 0.993 nan 8.190 nan 0.000 0.468 277 C N 3.927 123.285 119.300 0.095 0.000 3.517 277 C HA 0.475 4.935 4.460 -0.000 0.000 0.202 277 C C 1.220 176.289 174.990 0.130 0.000 1.370 277 C CA -0.827 58.257 59.018 0.110 0.000 1.308 277 C CB -1.339 26.467 27.740 0.110 0.000 1.840 277 C HN 0.852 nan 8.230 nan 0.000 0.525 278 I N -0.294 120.366 120.570 0.150 0.000 3.251 278 I HA 0.576 4.746 4.170 -0.000 0.000 0.277 278 I C 0.897 177.081 176.117 0.111 0.000 1.268 278 I CA 0.949 62.341 61.300 0.153 0.000 1.449 278 I CB -0.092 38.027 38.000 0.199 0.000 1.083 278 I HN 0.735 nan 8.210 nan 0.000 0.464 279 G N 0.829 109.689 108.800 0.100 0.000 2.324 279 G HA2 0.408 4.368 3.960 -0.000 0.000 0.293 279 G HA3 0.408 4.368 3.960 -0.000 0.000 0.293 279 G C -1.519 173.424 174.900 0.073 0.000 1.297 279 G CA -1.080 44.069 45.100 0.081 0.000 0.853 279 G HN 0.158 nan 8.290 nan 0.000 0.535 280 R N -0.570 119.968 120.500 0.063 0.000 2.771 280 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 280 R C -0.300 176.034 176.300 0.056 0.000 0.987 280 R CA -0.990 55.146 56.100 0.060 0.000 0.908 280 R CB 2.681 33.014 30.300 0.055 0.000 1.213 280 R HN 0.874 nan 8.270 nan 0.000 0.468 281 R N 0.311 120.851 120.500 0.067 0.000 2.740 281 R HA 0.544 4.884 4.340 -0.000 0.000 0.273 281 R C -3.026 173.330 176.300 0.095 0.000 0.998 281 R CA -2.319 53.821 56.100 0.067 0.000 0.900 281 R CB 1.532 31.869 30.300 0.062 0.000 1.223 281 R HN 0.227 nan 8.270 nan 0.000 0.466 282 P HA -0.067 nan 4.420 nan 0.000 0.264 282 P C -1.332 176.056 177.300 0.147 0.000 1.183 282 P CA 0.193 63.349 63.100 0.094 0.000 0.763 282 P CB 0.147 31.876 31.700 0.049 0.000 0.807 283 F N 3.659 123.621 119.950 0.019 0.000 2.402 283 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 283 F C 0.517 176.335 175.800 0.029 0.000 1.123 283 F CA -0.098 57.918 58.000 0.026 0.000 1.021 283 F CB 1.090 40.104 39.000 0.023 0.000 1.160 283 F HN 0.301 nan 8.300 nan 0.000 0.451 284 T N 1.298 115.500 114.554 -0.588 0.000 3.332 284 T HA 0.191 4.540 4.350 -0.000 0.000 0.304 284 T C 0.199 174.606 174.700 -0.488 0.000 0.971 284 T CA -0.574 61.278 62.100 -0.413 0.000 0.954 284 T CB -0.343 68.422 68.868 -0.172 0.000 1.175 284 T HN 0.513 nan 8.240 nan 0.000 0.519 285 K N 2.508 122.367 120.400 -0.902 0.000 2.472 285 K HA 0.035 4.355 4.320 -0.000 0.000 0.280 285 K C -0.102 176.434 176.600 -0.107 0.000 1.028 285 K CA 0.162 56.181 56.287 -0.446 0.000 1.045 285 K CB 0.033 32.297 32.500 -0.393 0.000 0.902 285 K HN 0.235 nan 8.250 nan 0.000 0.478 286 N N 2.595 121.263 118.700 -0.054 0.000 2.725 286 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 286 N C 0.028 175.601 175.510 0.104 0.000 1.031 286 N CA 0.538 53.591 53.050 0.005 0.000 0.720 286 N CB -0.815 37.629 38.487 -0.071 0.000 0.930 286 N HN 0.470 nan 8.380 nan 0.000 0.543 287 L N -0.770 120.483 121.223 0.051 0.000 2.529 287 L HA 0.302 4.642 4.340 -0.000 0.000 0.223 287 L C 1.621 178.515 176.870 0.041 0.000 1.113 287 L CA 1.669 56.550 54.840 0.067 0.000 0.861 287 L CB -0.177 41.889 42.059 0.012 0.000 1.012 287 L HN 0.534 nan 8.230 nan 0.000 0.461 288 G N -1.162 107.649 108.800 0.018 0.000 2.141 288 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.231 288 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.231 288 G C 1.036 175.936 174.900 -0.001 0.000 0.984 288 G CA 0.485 45.591 45.100 0.009 0.000 0.660 288 G HN 0.336 nan 8.290 nan 0.000 0.525 289 L N -0.086 121.132 121.223 -0.009 0.000 2.046 289 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 289 L C 2.595 179.456 176.870 -0.015 0.000 1.077 289 L CA 2.217 57.049 54.840 -0.013 0.000 0.747 289 L CB -0.439 41.608 42.059 -0.021 0.000 0.896 289 L HN 0.548 nan 8.230 nan 0.000 0.432 290 E N 0.475 120.665 120.200 -0.018 0.000 2.058 290 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 290 E C 2.084 178.676 176.600 -0.013 0.000 0.997 290 E CA 1.327 57.717 56.400 -0.017 0.000 0.801 290 E CB 0.047 29.735 29.700 -0.019 0.000 0.746 290 E HN 0.380 nan 8.360 nan 0.000 0.450 291 E N -0.080 120.113 120.200 -0.011 0.000 2.085 291 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 291 E C 1.986 178.581 176.600 -0.008 0.000 0.994 291 E CA 0.908 57.303 56.400 -0.008 0.000 0.801 291 E CB -0.033 29.664 29.700 -0.005 0.000 0.743 291 E HN 0.280 nan 8.360 nan 0.000 0.453 292 L N -0.623 120.596 121.223 -0.007 0.000 2.465 292 L HA 0.032 4.372 4.340 -0.000 0.000 0.224 292 L C 1.669 178.532 176.870 -0.012 0.000 1.145 292 L CA 1.327 56.162 54.840 -0.008 0.000 0.834 292 L CB -0.532 41.523 42.059 -0.007 0.000 0.944 292 L HN 0.267 nan 8.230 nan 0.000 0.451 293 G N -0.463 108.329 108.800 -0.013 0.000 2.141 293 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 293 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 293 G C 0.402 175.292 174.900 -0.017 0.000 0.982 293 G CA -0.008 45.083 45.100 -0.014 0.000 0.662 293 G HN 0.305 nan 8.290 nan 0.000 0.527 294 I N 1.812 122.372 120.570 -0.016 0.000 2.281 294 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 294 I C 0.586 176.693 176.117 -0.017 0.000 1.085 294 I CA -0.283 61.007 61.300 -0.018 0.000 1.257 294 I CB 0.547 38.538 38.000 -0.016 0.000 1.430 294 I HN 0.164 nan 8.210 nan 0.000 0.489 295 E N 6.239 126.429 120.200 -0.017 0.000 2.343 295 E HA 0.444 4.794 4.350 -0.000 0.000 0.269 295 E C -0.665 175.925 176.600 -0.016 0.000 1.047 295 E CA -0.622 55.768 56.400 -0.017 0.000 0.874 295 E CB 1.527 31.218 29.700 -0.016 0.000 1.033 295 E HN 0.462 nan 8.360 nan 0.000 0.409 296 L N 2.288 123.501 121.223 -0.017 0.000 2.379 296 L HA 0.208 4.548 4.340 -0.000 0.000 0.269 296 L C 0.466 177.329 176.870 -0.013 0.000 1.084 296 L CA -0.935 53.896 54.840 -0.015 0.000 0.802 296 L CB 0.540 42.588 42.059 -0.019 0.000 1.175 296 L HN 0.632 nan 8.230 nan 0.000 0.448 297 D N 1.139 121.533 120.400 -0.010 0.000 2.398 297 D HA 0.116 4.756 4.640 -0.000 0.000 0.247 297 D C -2.028 174.265 176.300 -0.010 0.000 1.227 297 D CA -1.868 52.126 54.000 -0.010 0.000 0.980 297 D CB 0.116 40.911 40.800 -0.008 0.000 1.106 297 D HN 0.164 nan 8.370 nan 0.000 0.493 298 P HA -0.073 nan 4.420 nan 0.000 0.220 298 P C 0.888 178.181 177.300 -0.011 0.000 1.144 298 P CA 1.188 64.281 63.100 -0.012 0.000 0.800 298 P CB 0.147 31.840 31.700 -0.012 0.000 0.772 299 R N -2.003 118.492 120.500 -0.008 0.000 2.334 299 R HA 0.283 4.623 4.340 -0.000 0.000 0.216 299 R C 1.177 177.476 176.300 -0.002 0.000 0.905 299 R CA 0.692 56.789 56.100 -0.005 0.000 1.064 299 R CB -0.159 30.139 30.300 -0.003 0.000 1.046 299 R HN 0.173 nan 8.270 nan 0.000 0.508 300 G N 1.648 110.445 108.800 -0.005 0.000 2.175 300 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 300 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 300 G C 0.108 175.007 174.900 -0.002 0.000 0.982 300 G CA -0.221 44.876 45.100 -0.006 0.000 0.641 300 G HN 0.260 nan 8.290 nan 0.000 0.527 301 R N -0.324 120.178 120.500 0.002 0.000 2.560 301 R HA 0.646 4.986 4.340 -0.000 0.000 0.270 301 R C 0.542 176.847 176.300 0.008 0.000 1.074 301 R CA -0.559 55.547 56.100 0.010 0.000 1.140 301 R CB 0.856 31.162 30.300 0.010 0.000 1.073 301 R HN 0.260 nan 8.270 nan 0.000 0.527 302 I N 3.276 123.857 120.570 0.019 0.000 2.312 302 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 302 I C -2.013 174.119 176.117 0.025 0.000 1.031 302 I CA -2.207 59.105 61.300 0.019 0.000 1.293 302 I CB 1.227 39.245 38.000 0.030 0.000 1.403 302 I HN 0.205 nan 8.210 nan 0.000 0.484 303 P HA 0.120 nan 4.420 nan 0.000 0.271 303 P C -0.802 176.497 177.300 -0.001 0.000 1.226 303 P CA -0.048 63.052 63.100 0.001 0.000 0.765 303 P CB 0.749 32.442 31.700 -0.011 0.000 0.835 304 V N 0.463 120.375 119.914 -0.003 0.000 3.130 304 V HA 0.680 4.800 4.120 -0.000 0.000 0.310 304 V C -0.188 175.851 176.094 -0.091 0.000 1.158 304 V CA -1.137 61.150 62.300 -0.022 0.000 1.029 304 V CB 2.116 33.978 31.823 0.064 0.000 1.057 304 V HN 0.484 nan 8.190 nan 0.000 0.436 305 N N 0.162 118.788 118.700 -0.124 0.000 2.514 305 N HA 0.250 4.990 4.740 -0.000 0.000 0.299 305 N C 1.128 176.473 175.510 -0.274 0.000 1.292 305 N CA 0.257 53.217 53.050 -0.149 0.000 0.963 305 N CB -0.299 38.126 38.487 -0.104 0.000 1.124 305 N HN 0.954 nan 8.380 nan 0.000 0.580 306 T N -3.523 110.902 114.554 -0.214 0.000 3.098 306 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 306 T C 0.994 175.523 174.700 -0.285 0.000 1.145 306 T CA 0.713 62.651 62.100 -0.269 0.000 1.092 306 T CB -0.298 68.503 68.868 -0.110 0.000 0.908 306 T HN 0.501 nan 8.240 nan 0.000 0.526 307 R N -0.487 119.919 120.500 -0.157 0.000 2.432 307 R HA 0.380 4.720 4.340 -0.000 0.000 0.260 307 R C -0.281 176.196 176.300 0.296 0.000 0.935 307 R CA -0.292 55.860 56.100 0.086 0.000 1.080 307 R CB -0.063 30.327 30.300 0.150 0.000 1.155 307 R HN 0.344 nan 8.270 nan 0.000 0.531 308 F N 0.325 120.356 119.950 0.135 0.000 2.988 308 F HA -0.278 4.249 4.527 -0.000 0.000 0.287 308 F C -0.043 175.823 175.800 0.110 0.000 0.781 308 F CA 0.583 58.675 58.000 0.152 0.000 1.221 308 F CB -2.008 37.107 39.000 0.192 0.000 1.392 308 F HN 0.147 nan 8.300 nan 0.000 0.425 309 Q N 0.330 120.121 119.800 -0.015 0.000 2.293 309 Q HA 0.479 4.819 4.340 -0.000 0.000 0.251 309 Q C 1.016 176.911 176.000 -0.175 0.000 0.930 309 Q CA 0.191 55.781 55.803 -0.355 0.000 0.893 309 Q CB 1.470 29.946 28.738 -0.437 0.000 1.215 309 Q HN 0.381 nan 8.270 nan 0.000 0.425 310 T N -1.782 112.670 114.554 -0.170 0.000 2.833 310 T HA 0.113 4.463 4.350 -0.000 0.000 0.312 310 T C 1.036 175.673 174.700 -0.103 0.000 1.085 310 T CA -0.547 61.501 62.100 -0.088 0.000 0.955 310 T CB 0.518 69.353 68.868 -0.056 0.000 1.353 310 T HN 0.637 nan 8.240 nan 0.000 0.544 311 K N -0.649 119.710 120.400 -0.069 0.000 2.283 311 K HA 0.075 4.395 4.320 -0.000 0.000 0.202 311 K C 0.291 176.850 176.600 -0.069 0.000 1.048 311 K CA 0.663 56.913 56.287 -0.062 0.000 0.948 311 K CB -0.358 32.117 32.500 -0.042 0.000 0.742 311 K HN 0.588 nan 8.250 nan 0.000 0.458 312 I N 2.968 123.492 120.570 -0.078 0.000 2.306 312 I HA 0.102 4.272 4.170 -0.000 0.000 0.288 312 I C -1.522 174.520 176.117 -0.125 0.000 1.036 312 I CA -2.146 59.110 61.300 -0.074 0.000 1.221 312 I CB 1.536 39.506 38.000 -0.050 0.000 1.385 312 I HN -0.024 nan 8.210 nan 0.000 0.472 313 P HA -0.232 nan 4.420 nan 0.000 0.218 313 P C 0.599 177.761 177.300 -0.230 0.000 1.150 313 P CA 1.659 64.654 63.100 -0.174 0.000 0.841 313 P CB -0.033 31.612 31.700 -0.091 0.000 0.784 314 N N -0.691 117.942 118.700 -0.112 0.000 2.270 314 N HA 0.058 4.798 4.740 -0.000 0.000 0.198 314 N C 0.264 175.805 175.510 0.053 0.000 1.117 314 N CA -0.134 52.921 53.050 0.009 0.000 0.845 314 N CB -0.050 38.467 38.487 0.049 0.000 0.980 314 N HN 0.224 nan 8.380 nan 0.000 0.486 315 I N 1.549 122.062 120.570 -0.096 0.000 2.355 315 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 315 I C -0.832 175.233 176.117 -0.087 0.000 0.999 315 I CA -0.838 60.466 61.300 0.007 0.000 1.163 315 I CB 0.682 38.676 38.000 -0.009 0.000 1.316 315 I HN -0.161 nan 8.210 nan 0.000 0.454 316 Y N 4.348 124.656 120.300 0.013 0.000 2.602 316 Y HA 0.835 5.385 4.550 -0.000 0.000 0.330 316 Y C 0.272 176.202 175.900 0.049 0.000 1.114 316 Y CA -1.078 57.050 58.100 0.047 0.000 1.182 316 Y CB 1.756 40.244 38.460 0.048 0.000 1.305 316 Y HN 0.544 nan 8.280 nan 0.000 0.502 317 A N 1.243 124.224 122.820 0.268 0.000 2.517 317 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 317 A C -1.474 176.211 177.584 0.169 0.000 1.050 317 A CA -0.518 51.618 52.037 0.166 0.000 0.694 317 A CB 0.913 19.988 19.000 0.125 0.000 1.277 317 A HN 0.741 nan 8.150 nan 0.000 0.400 318 I N -1.268 119.329 120.570 0.045 0.000 3.195 318 I HA 0.982 5.152 4.170 -0.000 0.000 0.313 318 I C 0.535 176.627 176.117 -0.043 0.000 1.237 318 I CA -0.051 61.202 61.300 -0.079 0.000 0.963 318 I CB 1.669 39.502 38.000 -0.279 0.000 1.278 318 I HN 2.228 nan 8.210 nan 0.000 0.460 319 G N 1.784 110.544 108.800 -0.066 0.000 2.584 319 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.229 319 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.229 319 G C 0.022 174.920 174.900 -0.003 0.000 1.320 319 G CA 0.542 45.620 45.100 -0.037 0.000 0.891 319 G HN 0.863 nan 8.290 nan 0.000 0.573 320 D N -0.681 119.719 120.400 0.001 0.000 2.311 320 D HA 0.012 4.652 4.640 -0.000 0.000 0.212 320 D C 2.342 178.661 176.300 0.033 0.000 0.972 320 D CA 1.225 55.233 54.000 0.013 0.000 0.887 320 D CB 0.033 40.847 40.800 0.023 0.000 0.915 320 D HN 0.449 nan 8.370 nan 0.000 0.497 321 V N 0.199 120.139 119.914 0.043 0.000 3.461 321 V HA -0.000 4.120 4.120 -0.000 0.000 0.267 321 V C 0.672 176.794 176.094 0.048 0.000 1.186 321 V CA 0.370 62.702 62.300 0.053 0.000 1.154 321 V CB 0.039 31.899 31.823 0.060 0.000 0.802 321 V HN 0.027 nan 8.190 nan 0.000 0.474 322 V N -2.208 117.738 119.914 0.053 0.000 3.113 322 V HA 0.932 5.052 4.120 -0.000 0.000 0.316 322 V C 0.284 176.396 176.094 0.030 0.000 1.125 322 V CA -0.822 61.520 62.300 0.069 0.000 1.026 322 V CB 1.177 33.095 31.823 0.159 0.000 1.080 322 V HN 0.168 nan 8.190 nan 0.000 0.444 323 A N 0.591 123.419 122.820 0.013 0.000 2.475 323 A HA 0.692 5.012 4.320 -0.000 0.000 0.239 323 A C 0.954 178.441 177.584 -0.160 0.000 1.087 323 A CA 0.745 52.748 52.037 -0.057 0.000 0.779 323 A CB -0.683 18.283 19.000 -0.057 0.000 1.036 323 A HN 3.021 nan 8.150 nan 0.000 0.506 324 G N -0.313 108.336 108.800 -0.252 0.000 2.541 324 G HA2 0.149 4.109 3.960 -0.000 0.000 0.686 324 G HA3 0.149 4.109 3.960 -0.000 0.000 0.686 324 G C -2.988 171.770 174.900 -0.235 0.000 1.286 324 G CA -0.429 44.393 45.100 -0.464 0.000 0.894 324 G HN 0.981 nan 8.290 nan 0.000 0.575 325 P HA 0.227 nan 4.420 nan 0.000 0.263 325 P C 0.356 177.605 177.300 -0.085 0.000 1.195 325 P CA 0.176 63.222 63.100 -0.091 0.000 0.762 325 P CB 0.308 31.974 31.700 -0.056 0.000 0.799 326 M N 4.392 123.961 119.600 -0.051 0.000 3.254 326 M HA 0.187 4.667 4.480 -0.000 0.000 0.257 326 M C -0.100 176.164 176.300 -0.060 0.000 1.490 326 M CA 0.580 55.855 55.300 -0.041 0.000 1.620 326 M CB -0.765 31.831 32.600 -0.005 0.000 1.157 326 M HN 0.226 nan 8.290 nan 0.000 0.541 327 L N -0.306 120.839 121.223 -0.130 0.000 2.388 327 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 327 L C 1.042 177.768 176.870 -0.241 0.000 0.998 327 L CA -0.622 54.090 54.840 -0.212 0.000 0.817 327 L CB 1.881 43.689 42.059 -0.418 0.000 1.338 327 L HN 0.509 nan 8.230 nan 0.000 0.414 328 A N 0.813 123.548 122.820 -0.141 0.000 1.877 328 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 328 A C 1.958 179.501 177.584 -0.069 0.000 1.186 328 A CA 1.871 53.877 52.037 -0.050 0.000 0.620 328 A CB -0.851 18.183 19.000 0.056 0.000 0.822 328 A HN 0.942 nan 8.150 nan 0.000 0.443 329 H N -1.013 118.047 119.070 -0.016 0.000 2.491 329 H HA -0.017 4.539 4.556 -0.000 0.000 0.290 329 H C 1.692 177.003 175.328 -0.028 0.000 1.050 329 H CA 1.351 57.382 56.048 -0.029 0.000 1.309 329 H CB -0.320 29.425 29.762 -0.029 0.000 1.392 329 H HN 0.456 nan 8.280 nan 0.000 0.554 330 K N 1.858 122.073 120.400 -0.309 0.000 2.031 330 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 330 K C 2.308 178.859 176.600 -0.082 0.000 1.049 330 K CA 1.151 57.360 56.287 -0.131 0.000 0.939 330 K CB -0.293 32.125 32.500 -0.137 0.000 0.717 330 K HN 0.280 nan 8.250 nan 0.000 0.438 331 A N 1.817 124.573 122.820 -0.107 0.000 1.877 331 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 331 A C 2.004 179.510 177.584 -0.129 0.000 1.186 331 A CA 1.724 53.699 52.037 -0.104 0.000 0.620 331 A CB -0.482 18.470 19.000 -0.080 0.000 0.822 331 A HN 0.520 nan 8.150 nan 0.000 0.443 332 E N -0.257 119.876 120.200 -0.112 0.000 2.058 332 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 332 E C 1.628 178.150 176.600 -0.131 0.000 0.997 332 E CA 1.433 57.753 56.400 -0.135 0.000 0.801 332 E CB -0.312 29.326 29.700 -0.102 0.000 0.746 332 E HN 0.578 nan 8.360 nan 0.000 0.450 333 D N 0.617 120.959 120.400 -0.096 0.000 2.117 333 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 333 D C 1.768 177.973 176.300 -0.159 0.000 0.987 333 D CA 0.972 54.914 54.000 -0.097 0.000 0.829 333 D CB -0.086 40.677 40.800 -0.061 0.000 0.961 333 D HN 0.202 nan 8.370 nan 0.000 0.460 334 E N -0.113 119.952 120.200 -0.225 0.000 2.077 334 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 334 E C 2.208 178.527 176.600 -0.468 0.000 0.989 334 E CA 1.008 57.116 56.400 -0.486 0.000 0.800 334 E CB -0.227 29.116 29.700 -0.595 0.000 0.746 334 E HN 0.310 nan 8.360 nan 0.000 0.452 335 G N 1.259 109.877 108.800 -0.304 0.000 2.421 335 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 335 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 335 G C 1.597 176.384 174.900 -0.189 0.000 1.171 335 G CA 0.628 45.585 45.100 -0.238 0.000 0.775 335 G HN 0.116 nan 8.290 nan 0.000 0.543 336 I N 1.475 121.952 120.570 -0.156 0.000 2.179 336 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 336 I C 2.756 178.827 176.117 -0.076 0.000 1.088 336 I CA 1.289 62.527 61.300 -0.102 0.000 1.357 336 I CB -0.223 37.727 38.000 -0.083 0.000 1.051 336 I HN 0.333 nan 8.210 nan 0.000 0.409 337 I N -1.720 118.802 120.570 -0.079 0.000 2.493 337 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 337 I C 2.769 178.897 176.117 0.019 0.000 1.160 337 I CA 1.063 62.357 61.300 -0.009 0.000 1.445 337 I CB -0.871 37.152 38.000 0.039 0.000 1.086 337 I HN 0.328 nan 8.210 nan 0.000 0.433 338 C N 1.935 121.195 119.300 -0.067 0.000 2.436 338 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 338 C C 2.988 177.905 174.990 -0.121 0.000 1.241 338 C CA 1.374 60.371 59.018 -0.034 0.000 1.721 338 C CB -0.979 26.664 27.740 -0.161 0.000 2.043 338 C HN 0.605 nan 8.230 nan 0.000 0.472 339 V N -0.609 119.220 119.914 -0.141 0.000 2.667 339 V HA -0.073 4.047 4.120 -0.000 0.000 0.252 339 V C 2.176 178.294 176.094 0.039 0.000 1.065 339 V CA 2.286 64.517 62.300 -0.114 0.000 1.083 339 V CB -1.092 30.682 31.823 -0.082 0.000 0.692 339 V HN 0.630 nan 8.190 nan 0.000 0.468 340 E N 1.310 121.528 120.200 0.030 0.000 2.106 340 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 340 E C 2.280 178.927 176.600 0.077 0.000 0.984 340 E CA 1.246 57.681 56.400 0.058 0.000 0.806 340 E CB -0.499 29.221 29.700 0.033 0.000 0.750 340 E HN 0.737 nan 8.360 nan 0.000 0.458 341 G N 0.939 109.781 108.800 0.072 0.000 2.402 341 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 341 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 341 G C 1.538 176.502 174.900 0.107 0.000 1.162 341 G CA 0.519 45.680 45.100 0.101 0.000 0.777 341 G HN 0.098 nan 8.290 nan 0.000 0.539 342 M N 0.910 120.535 119.600 0.041 0.000 2.195 342 M HA -0.078 4.402 4.480 -0.000 0.000 0.260 342 M C 2.512 178.974 176.300 0.270 0.000 1.066 342 M CA 1.337 56.664 55.300 0.044 0.000 1.089 342 M CB -0.117 32.331 32.600 -0.253 0.000 1.377 342 M HN 0.294 nan 8.290 nan 0.000 0.411 343 A N -0.288 122.715 122.820 0.304 0.000 2.327 343 A HA 0.433 4.753 4.320 -0.000 0.000 0.228 343 A C 1.469 179.111 177.584 0.096 0.000 1.275 343 A CA 0.579 52.743 52.037 0.213 0.000 0.875 343 A CB -0.966 18.080 19.000 0.076 0.000 0.925 343 A HN 0.686 nan 8.150 nan 0.000 0.493 344 G N -1.828 107.036 108.800 0.106 0.000 2.159 344 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.256 344 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.256 344 G C 0.731 175.665 174.900 0.056 0.000 0.977 344 G CA 0.316 45.459 45.100 0.072 0.000 0.652 344 G HN 1.369 nan 8.290 nan 0.000 0.531 345 G N -0.314 108.522 108.800 0.061 0.000 2.557 345 G HA2 0.774 4.734 3.960 -0.000 0.000 0.292 345 G HA3 0.774 4.734 3.960 -0.000 0.000 0.292 345 G C 0.559 175.494 174.900 0.058 0.000 1.237 345 G CA 0.355 45.485 45.100 0.049 0.000 0.978 345 G HN 1.486 nan 8.290 nan 0.000 0.498 346 A N -1.346 121.504 122.820 0.050 0.000 2.332 346 A HA 0.556 4.876 4.320 -0.000 0.000 0.258 346 A C -0.375 177.261 177.584 0.086 0.000 1.087 346 A CA -0.225 51.846 52.037 0.058 0.000 0.802 346 A CB 0.893 19.917 19.000 0.040 0.000 1.042 346 A HN 0.965 nan 8.150 nan 0.000 0.489 347 V N 3.862 123.841 119.914 0.108 0.000 2.398 347 V HA 0.390 4.510 4.120 -0.000 0.000 0.282 347 V C -0.451 175.751 176.094 0.181 0.000 1.014 347 V CA -0.268 62.120 62.300 0.148 0.000 0.838 347 V CB 0.721 32.648 31.823 0.173 0.000 1.018 347 V HN 0.981 nan 8.190 nan 0.000 0.432 348 H N 5.277 124.372 119.070 0.040 0.000 2.954 348 H HA 0.678 5.234 4.556 -0.000 0.000 0.361 348 H C -2.001 173.307 175.328 -0.035 0.000 1.122 348 H CA -0.539 55.507 56.048 -0.004 0.000 1.217 348 H CB 2.647 32.395 29.762 -0.023 0.000 1.776 348 H HN 0.656 nan 8.280 nan 0.000 0.533 349 I N 4.178 124.310 120.570 -0.729 0.000 2.656 349 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 349 I C -1.575 173.997 176.117 -0.909 0.000 1.144 349 I CA -0.631 60.261 61.300 -0.679 0.000 1.038 349 I CB 2.042 39.751 38.000 -0.484 0.000 1.244 349 I HN 0.539 nan 8.210 nan 0.000 0.420 350 D N 6.088 126.111 120.400 -0.629 0.000 2.454 350 D HA 0.210 4.849 4.640 -0.000 0.000 0.225 350 D C 0.193 176.338 176.300 -0.258 0.000 1.081 350 D CA -0.085 53.690 54.000 -0.374 0.000 0.864 350 D CB 0.652 41.373 40.800 -0.132 0.000 1.040 350 D HN 0.411 nan 8.370 nan 0.000 0.517 351 Y N 2.401 122.681 120.300 -0.033 0.000 2.483 351 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 351 Y C 2.088 177.998 175.900 0.017 0.000 1.143 351 Y CA 0.719 58.818 58.100 -0.002 0.000 1.289 351 Y CB -0.476 37.991 38.460 0.012 0.000 0.983 351 Y HN 0.417 nan 8.280 nan 0.000 0.556 352 N N -0.735 118.044 118.700 0.133 0.000 2.459 352 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 352 N C 0.749 176.306 175.510 0.078 0.000 1.046 352 N CA 1.019 54.135 53.050 0.110 0.000 0.904 352 N CB -0.250 38.291 38.487 0.090 0.000 0.964 352 N HN 0.201 nan 8.380 nan 0.000 0.444 353 C N 0.196 119.523 119.300 0.045 0.000 2.693 353 C HA 0.401 4.861 4.460 -0.000 0.000 0.286 353 C C 0.184 175.189 174.990 0.025 0.000 1.277 353 C CA -0.757 58.275 59.018 0.023 0.000 1.705 353 C CB -1.115 26.622 27.740 -0.003 0.000 1.879 353 C HN 0.038 nan 8.230 nan 0.000 0.607 354 V N 4.724 124.676 119.914 0.063 0.000 2.385 354 V HA 0.265 4.385 4.120 -0.000 0.000 0.269 354 V C -1.626 174.497 176.094 0.049 0.000 1.043 354 V CA -1.021 61.336 62.300 0.095 0.000 0.906 354 V CB 0.950 32.860 31.823 0.145 0.000 0.995 354 V HN 0.293 nan 8.190 nan 0.000 0.467 355 P HA 0.311 nan 4.420 nan 0.000 0.274 355 P C -0.569 176.617 177.300 -0.191 0.000 1.246 355 P CA -0.342 62.665 63.100 -0.155 0.000 0.795 355 P CB 1.177 32.742 31.700 -0.225 0.000 1.006 356 S N -0.329 115.017 115.700 -0.590 0.000 2.536 356 S HA 0.573 5.043 4.470 -0.000 0.000 0.287 356 S C -0.653 173.446 174.600 -0.835 0.000 1.101 356 S CA -0.540 57.184 58.200 -0.793 0.000 0.950 356 S CB 1.343 63.626 63.200 -1.528 0.000 1.056 356 S HN 0.257 nan 8.310 nan 0.000 0.481 357 V N 3.484 123.063 119.914 -0.558 0.000 2.841 357 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 357 V C -1.044 174.776 176.094 -0.457 0.000 1.090 357 V CA -0.630 61.322 62.300 -0.579 0.000 0.930 357 V CB 1.974 33.351 31.823 -0.743 0.000 1.014 357 V HN 0.812 nan 8.190 nan 0.000 0.425 358 I N 3.361 123.679 120.570 -0.420 0.000 2.418 358 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 358 I C -0.731 175.248 176.117 -0.230 0.000 1.008 358 I CA -0.467 60.734 61.300 -0.164 0.000 1.104 358 I CB 1.830 39.795 38.000 -0.059 0.000 1.264 358 I HN 0.638 nan 8.210 nan 0.000 0.438 359 Y N 3.754 124.058 120.300 0.007 0.000 2.547 359 Y HA 0.051 4.601 4.550 -0.000 0.000 0.325 359 Y C 1.655 177.566 175.900 0.018 0.000 1.165 359 Y CA -0.521 57.574 58.100 -0.008 0.000 1.300 359 Y CB -0.475 37.975 38.460 -0.016 0.000 1.126 359 Y HN 0.540 nan 8.280 nan 0.000 0.513 360 T N -2.815 111.841 114.554 0.171 0.000 2.689 360 T HA 0.123 4.473 4.350 -0.000 0.000 0.308 360 T C -0.556 174.207 174.700 0.105 0.000 1.021 360 T CA -0.463 61.757 62.100 0.199 0.000 0.973 360 T CB 0.882 69.978 68.868 0.379 0.000 1.113 360 T HN 0.380 nan 8.240 nan 0.000 0.522 361 H N 1.240 120.322 119.070 0.020 0.000 2.906 361 H HA 0.434 4.990 4.556 -0.000 0.000 0.324 361 H C -2.656 172.710 175.328 0.063 0.000 0.973 361 H CA -1.787 54.209 56.048 -0.086 0.000 1.321 361 H CB 1.276 30.806 29.762 -0.387 0.000 1.535 361 H HN 0.468 nan 8.280 nan 0.000 0.518 362 P HA 0.034 nan 4.420 nan 0.000 0.269 362 P C -0.454 176.752 177.300 -0.157 0.000 1.215 362 P CA -0.132 62.771 63.100 -0.328 0.000 0.780 362 P CB 1.580 33.199 31.700 -0.135 0.000 0.898 363 E N 0.000 120.041 120.200 -0.265 0.000 2.345 363 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 363 E C -0.549 175.888 176.600 -0.272 0.000 1.117 363 E CA -0.869 55.391 56.400 -0.234 0.000 0.913 363 E CB 0.961 30.514 29.700 -0.245 0.000 1.057 363 E HN 0.209 nan 8.360 nan 0.000 0.432 364 V N 0.214 119.941 119.914 -0.312 0.000 2.841 364 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 364 V C -0.771 175.240 176.094 -0.138 0.000 1.090 364 V CA -0.838 61.322 62.300 -0.233 0.000 0.930 364 V CB 1.644 33.229 31.823 -0.397 0.000 1.014 364 V HN 0.789 nan 8.190 nan 0.000 0.425 365 A N 3.360 126.191 122.820 0.019 0.000 2.589 365 A HA 0.977 5.297 4.320 -0.000 0.000 0.296 365 A C -1.788 175.878 177.584 0.137 0.000 1.062 365 A CA -0.595 51.381 52.037 -0.103 0.000 0.686 365 A CB 1.656 20.526 19.000 -0.216 0.000 1.282 365 A HN 1.802 nan 8.150 nan 0.000 0.404 366 W N 0.057 121.273 121.300 -0.141 0.000 3.146 366 W HA 0.751 5.411 4.660 -0.000 0.000 0.319 366 W C -1.976 174.437 176.519 -0.176 0.000 1.258 366 W CA -1.096 56.120 57.345 -0.216 0.000 1.189 366 W CB 1.078 30.410 29.460 -0.213 0.000 1.412 366 W HN 1.097 nan 8.180 nan 0.000 0.567 367 V N 2.654 122.548 119.914 -0.033 0.000 3.048 367 V HA 0.850 4.970 4.120 -0.000 0.000 0.303 367 V C 0.276 176.391 176.094 0.034 0.000 1.214 367 V CA 0.434 62.722 62.300 -0.018 0.000 0.984 367 V CB 1.357 33.146 31.823 -0.056 0.000 1.054 367 V HN 2.242 nan 8.190 nan 0.000 0.430 368 G N 5.222 114.076 108.800 0.091 0.000 2.484 368 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.225 368 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.225 368 G C -0.739 174.254 174.900 0.154 0.000 1.250 368 G CA 0.068 45.228 45.100 0.101 0.000 0.926 368 G HN 0.908 nan 8.290 nan 0.000 0.581 369 K N 0.696 121.181 120.400 0.142 0.000 2.156 369 K HA 0.660 4.980 4.320 -0.000 0.000 0.250 369 K C 0.685 177.404 176.600 0.199 0.000 0.955 369 K CA 0.087 56.453 56.287 0.133 0.000 0.855 369 K CB 1.744 34.269 32.500 0.041 0.000 1.101 369 K HN 1.020 nan 8.250 nan 0.000 0.434 370 S N 0.015 115.743 115.700 0.047 0.000 2.707 370 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 370 S C 1.019 175.448 174.600 -0.285 0.000 1.179 370 S CA -0.582 57.497 58.200 -0.202 0.000 0.992 370 S CB 1.219 64.256 63.200 -0.272 0.000 1.030 370 S HN 0.570 nan 8.310 nan 0.000 0.554 371 E N 0.528 120.502 120.200 -0.378 0.000 2.077 371 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 371 E C 1.752 178.207 176.600 -0.242 0.000 0.989 371 E CA 1.461 57.636 56.400 -0.375 0.000 0.800 371 E CB -0.180 29.386 29.700 -0.223 0.000 0.746 371 E HN 0.688 nan 8.360 nan 0.000 0.452 372 E N 0.814 120.900 120.200 -0.189 0.000 2.110 372 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 372 E C 1.976 178.520 176.600 -0.094 0.000 0.988 372 E CA 1.046 57.373 56.400 -0.121 0.000 0.804 372 E CB -0.112 29.507 29.700 -0.134 0.000 0.745 372 E HN 0.263 nan 8.360 nan 0.000 0.458 373 Q N -0.172 119.565 119.800 -0.105 0.000 2.123 373 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 373 Q C 2.166 178.130 176.000 -0.060 0.000 0.966 373 Q CA 0.782 56.550 55.803 -0.058 0.000 0.845 373 Q CB -0.041 28.679 28.738 -0.031 0.000 0.907 373 Q HN 0.279 nan 8.270 nan 0.000 0.439 374 L N 0.521 121.665 121.223 -0.130 0.000 2.093 374 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 374 L C 2.244 179.110 176.870 -0.007 0.000 1.085 374 L CA 0.881 55.646 54.840 -0.125 0.000 0.755 374 L CB -0.403 41.414 42.059 -0.403 0.000 0.904 374 L HN 0.160 nan 8.230 nan 0.000 0.435 375 K N 0.576 120.979 120.400 0.005 0.000 2.002 375 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 375 K C 1.851 178.475 176.600 0.040 0.000 1.048 375 K CA 1.386 57.718 56.287 0.075 0.000 0.930 375 K CB -0.460 32.077 32.500 0.062 0.000 0.714 375 K HN 0.418 nan 8.250 nan 0.000 0.438 376 E N 1.050 121.258 120.200 0.013 0.000 2.171 376 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 376 E C 1.632 178.245 176.600 0.021 0.000 0.997 376 E CA 1.150 57.558 56.400 0.013 0.000 0.810 376 E CB -0.079 29.623 29.700 0.005 0.000 0.738 376 E HN 0.449 nan 8.360 nan 0.000 0.467 377 E N -0.331 119.883 120.200 0.022 0.000 2.502 377 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 377 E C 0.756 177.380 176.600 0.040 0.000 1.062 377 E CA 0.219 56.636 56.400 0.029 0.000 0.867 377 E CB 0.378 30.094 29.700 0.026 0.000 0.888 377 E HN 0.333 nan 8.360 nan 0.000 0.510 378 G N 2.150 110.980 108.800 0.049 0.000 2.295 378 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 378 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 378 G C 0.004 174.947 174.900 0.071 0.000 1.055 378 G CA 0.100 45.234 45.100 0.056 0.000 0.922 378 G HN 0.213 nan 8.290 nan 0.000 0.503 379 I N 0.219 120.851 120.570 0.103 0.000 2.392 379 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 379 I C 0.544 176.785 176.117 0.206 0.000 0.985 379 I CA -0.740 60.635 61.300 0.125 0.000 1.221 379 I CB 1.251 39.315 38.000 0.107 0.000 1.366 379 I HN 0.086 nan 8.210 nan 0.000 0.467 380 E N 6.431 126.712 120.200 0.136 0.000 2.259 380 E HA 0.257 4.607 4.350 -0.000 0.000 0.281 380 E C -1.462 175.229 176.600 0.152 0.000 1.037 380 E CA -0.112 56.338 56.400 0.084 0.000 0.854 380 E CB 1.147 30.859 29.700 0.020 0.000 1.051 380 E HN 0.439 nan 8.360 nan 0.000 0.409 381 Y N 0.155 120.458 120.300 0.005 0.000 2.615 381 Y HA 0.536 5.086 4.550 -0.000 0.000 0.341 381 Y C -0.804 175.098 175.900 0.003 0.000 1.089 381 Y CA -1.482 56.623 58.100 0.009 0.000 1.049 381 Y CB 1.096 39.565 38.460 0.014 0.000 1.296 381 Y HN 0.267 nan 8.280 nan 0.000 0.470 382 K N 0.923 121.392 120.400 0.116 0.000 2.281 382 K HA 0.875 5.195 4.320 -0.000 0.000 0.242 382 K C -1.764 174.935 176.600 0.166 0.000 0.971 382 K CA -1.091 55.216 56.287 0.034 0.000 0.834 382 K CB 2.610 35.120 32.500 0.016 0.000 1.181 382 K HN 0.530 nan 8.250 nan 0.000 0.435 383 V N 0.498 120.475 119.914 0.105 0.000 2.540 383 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 383 V C -0.173 175.967 176.094 0.076 0.000 1.035 383 V CA -0.691 61.682 62.300 0.122 0.000 0.873 383 V CB 1.780 33.676 31.823 0.123 0.000 0.992 383 V HN 0.980 nan 8.190 nan 0.000 0.428 384 G N 3.244 112.089 108.800 0.074 0.000 2.609 384 G HA2 0.732 4.692 3.960 -0.000 0.000 0.308 384 G HA3 0.732 4.692 3.960 -0.000 0.000 0.308 384 G C -1.089 173.853 174.900 0.069 0.000 1.369 384 G CA -0.633 44.507 45.100 0.066 0.000 0.958 384 G HN 0.612 nan 8.290 nan 0.000 0.499 385 K N 0.908 121.357 120.400 0.083 0.000 2.371 385 K HA 0.615 4.935 4.320 -0.000 0.000 0.251 385 K C -1.878 174.764 176.600 0.071 0.000 0.934 385 K CA -0.727 55.593 56.287 0.056 0.000 0.798 385 K CB 2.808 35.321 32.500 0.021 0.000 1.204 385 K HN 0.394 nan 8.250 nan 0.000 0.427 386 F N 4.558 124.402 119.950 -0.175 0.000 2.617 386 F HA 0.370 4.897 4.527 -0.000 0.000 0.325 386 F C -2.533 173.001 175.800 -0.443 0.000 1.179 386 F CA -1.986 55.842 58.000 -0.286 0.000 0.965 386 F CB 1.725 40.587 39.000 -0.230 0.000 1.232 386 F HN 0.320 nan 8.300 nan 0.000 0.461 387 P HA 0.138 nan 4.420 nan 0.000 0.280 387 P C 0.417 177.418 177.300 -0.498 0.000 1.244 387 P CA -0.027 62.672 63.100 -0.668 0.000 0.784 387 P CB 0.875 32.093 31.700 -0.803 0.000 0.913 388 F N 2.123 122.024 119.950 -0.082 0.000 2.408 388 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 388 F C 2.545 178.341 175.800 -0.005 0.000 1.090 388 F CA 1.580 59.597 58.000 0.030 0.000 1.427 388 F CB -1.113 37.912 39.000 0.042 0.000 1.070 388 F HN 0.366 nan 8.300 nan 0.000 0.549 389 A N -0.271 122.572 122.820 0.038 0.000 2.070 389 A HA 0.046 4.366 4.320 -0.000 0.000 0.220 389 A C 2.170 179.762 177.584 0.013 0.000 1.159 389 A CA 1.499 53.553 52.037 0.027 0.000 0.656 389 A CB -0.857 18.129 19.000 -0.022 0.000 0.800 389 A HN 0.247 nan 8.150 nan 0.000 0.453 390 A N -0.735 122.026 122.820 -0.099 0.000 2.387 390 A HA 0.199 4.519 4.320 -0.000 0.000 0.234 390 A C 0.653 178.402 177.584 0.275 0.000 1.253 390 A CA -0.286 51.748 52.037 -0.004 0.000 0.894 390 A CB -0.285 18.551 19.000 -0.273 0.000 0.963 390 A HN 0.489 nan 8.150 nan 0.000 0.508 391 N N 0.175 119.062 118.700 0.311 0.000 2.434 391 N HA 0.147 4.887 4.740 -0.000 0.000 0.272 391 N C 0.476 176.131 175.510 0.241 0.000 1.040 391 N CA 0.056 53.322 53.050 0.359 0.000 0.956 391 N CB 1.235 39.962 38.487 0.401 0.000 1.108 391 N HN 0.072 nan 8.380 nan 0.000 0.481 392 S N 3.419 119.240 115.700 0.200 0.000 2.368 392 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 392 S C 1.735 176.382 174.600 0.078 0.000 1.030 392 S CA 1.003 59.286 58.200 0.138 0.000 0.999 392 S CB -0.085 63.204 63.200 0.148 0.000 0.844 392 S HN 0.661 nan 8.310 nan 0.000 0.459 393 R N 1.011 121.541 120.500 0.049 0.000 2.075 393 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 393 R C 2.416 178.768 176.300 0.087 0.000 1.126 393 R CA 1.208 57.332 56.100 0.040 0.000 0.963 393 R CB -0.464 29.852 30.300 0.026 0.000 0.858 393 R HN 0.371 nan 8.270 nan 0.000 0.435 394 A N 1.095 124.003 122.820 0.145 0.000 1.883 394 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 394 A C 2.048 179.708 177.584 0.126 0.000 1.186 394 A CA 1.811 53.935 52.037 0.144 0.000 0.624 394 A CB -0.435 18.717 19.000 0.253 0.000 0.822 394 A HN 0.223 nan 8.150 nan 0.000 0.444 395 K N -0.402 120.079 120.400 0.134 0.000 2.057 395 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 395 K C 1.957 178.609 176.600 0.087 0.000 1.050 395 K CA 2.150 58.503 56.287 0.110 0.000 0.935 395 K CB -0.918 31.650 32.500 0.114 0.000 0.715 395 K HN 0.422 nan 8.250 nan 0.000 0.439 396 T N 1.169 115.770 114.554 0.078 0.000 2.788 396 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 396 T C 1.140 175.874 174.700 0.057 0.000 1.044 396 T CA 1.446 63.582 62.100 0.059 0.000 1.139 396 T CB -0.254 68.641 68.868 0.045 0.000 0.867 396 T HN 0.252 nan 8.240 nan 0.000 0.454 397 N N 0.939 119.679 118.700 0.067 0.000 2.467 397 N HA 0.275 5.015 4.740 -0.000 0.000 0.184 397 N C 0.908 176.469 175.510 0.086 0.000 1.106 397 N CA 0.646 53.740 53.050 0.072 0.000 0.892 397 N CB -0.067 38.469 38.487 0.082 0.000 0.969 397 N HN 0.412 nan 8.380 nan 0.000 0.454 398 A N 1.030 123.902 122.820 0.086 0.000 2.800 398 A HA -0.196 4.124 4.320 -0.000 0.000 0.292 398 A C -0.270 177.383 177.584 0.115 0.000 1.474 398 A CA 0.968 53.060 52.037 0.092 0.000 0.744 398 A CB -1.981 17.067 19.000 0.079 0.000 1.044 398 A HN 0.313 nan 8.150 nan 0.000 0.489 399 D N -0.304 120.167 120.400 0.118 0.000 2.472 399 D HA 0.437 5.077 4.640 -0.000 0.000 0.248 399 D C 0.861 177.213 176.300 0.088 0.000 1.271 399 D CA 0.503 54.586 54.000 0.137 0.000 0.888 399 D CB 0.221 41.125 40.800 0.172 0.000 1.337 399 D HN 0.550 nan 8.370 nan 0.000 0.526 400 T N -1.528 113.087 114.554 0.102 0.000 3.044 400 T HA 0.200 4.550 4.350 -0.000 0.000 0.260 400 T C 0.458 175.236 174.700 0.131 0.000 1.019 400 T CA -0.486 61.689 62.100 0.125 0.000 0.921 400 T CB 0.168 69.109 68.868 0.121 0.000 1.053 400 T HN 0.035 nan 8.240 nan 0.000 0.533 401 D N 2.229 122.680 120.400 0.085 0.000 2.449 401 D HA 0.447 5.087 4.640 -0.000 0.000 0.236 401 D C 1.231 177.617 176.300 0.144 0.000 1.149 401 D CA 1.800 55.853 54.000 0.089 0.000 0.878 401 D CB 0.529 41.364 40.800 0.059 0.000 1.198 401 D HN 0.597 nan 8.370 nan 0.000 0.446 402 G N 0.199 109.097 108.800 0.163 0.000 2.587 402 G HA2 0.100 4.060 3.960 -0.000 0.000 0.212 402 G HA3 0.100 4.060 3.960 -0.000 0.000 0.212 402 G C -0.472 174.584 174.900 0.261 0.000 1.327 402 G CA 0.029 45.269 45.100 0.234 0.000 0.898 402 G HN 0.828 nan 8.290 nan 0.000 0.551 403 M N -3.449 116.316 119.600 0.274 0.000 3.069 403 M HA 0.705 5.185 4.480 -0.000 0.000 0.274 403 M C -1.415 174.903 176.300 0.031 0.000 1.146 403 M CA -1.181 54.101 55.300 -0.031 0.000 0.807 403 M CB 1.607 34.162 32.600 -0.075 0.000 1.621 403 M HN 1.091 nan 8.290 nan 0.000 0.521 404 V N 1.579 121.435 119.914 -0.097 0.000 2.459 404 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 404 V C -0.766 175.370 176.094 0.070 0.000 1.029 404 V CA -0.427 61.906 62.300 0.055 0.000 0.874 404 V CB 1.798 33.651 31.823 0.050 0.000 0.985 404 V HN 0.764 nan 8.190 nan 0.000 0.438 405 K N 5.318 125.798 120.400 0.133 0.000 2.413 405 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 405 K C -1.538 175.164 176.600 0.170 0.000 0.946 405 K CA -0.626 55.733 56.287 0.121 0.000 0.823 405 K CB 1.313 33.872 32.500 0.099 0.000 1.109 405 K HN 0.467 nan 8.250 nan 0.000 0.427 406 I N 5.551 126.189 120.570 0.113 0.000 2.441 406 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 406 I C -0.417 175.770 176.117 0.117 0.000 0.994 406 I CA -0.937 60.426 61.300 0.105 0.000 1.144 406 I CB 1.564 39.567 38.000 0.004 0.000 1.314 406 I HN 0.618 nan 8.210 nan 0.000 0.445 407 L N 5.023 126.324 121.223 0.130 0.000 2.325 407 L HA 0.714 5.054 4.340 -0.000 0.000 0.281 407 L C 0.314 177.251 176.870 0.113 0.000 1.004 407 L CA -0.427 54.487 54.840 0.122 0.000 0.823 407 L CB 1.944 44.021 42.059 0.030 0.000 1.236 407 L HN 0.693 nan 8.230 nan 0.000 0.415 408 G N 1.328 110.211 108.800 0.138 0.000 2.481 408 G HA2 0.372 4.332 3.960 -0.000 0.000 0.315 408 G HA3 0.372 4.332 3.960 -0.000 0.000 0.315 408 G C -1.292 173.691 174.900 0.138 0.000 1.231 408 G CA -0.382 44.784 45.100 0.110 0.000 0.968 408 G HN 0.366 nan 8.290 nan 0.000 0.482 409 Q N 0.647 120.511 119.800 0.107 0.000 2.289 409 Q HA 0.047 4.387 4.340 -0.000 0.000 0.273 409 Q C 1.440 177.487 176.000 0.079 0.000 1.029 409 Q CA -0.198 55.668 55.803 0.106 0.000 0.896 409 Q CB 1.473 30.259 28.738 0.079 0.000 1.182 409 Q HN 0.651 nan 8.270 nan 0.000 0.385 410 K N 2.443 122.886 120.400 0.072 0.000 2.097 410 K HA -0.251 4.069 4.320 -0.000 0.000 0.214 410 K C 1.523 178.134 176.600 0.019 0.000 1.052 410 K CA 2.722 59.025 56.287 0.026 0.000 0.932 410 K CB -0.065 32.436 32.500 0.001 0.000 0.716 410 K HN 0.660 nan 8.250 nan 0.000 0.455 411 S N -2.841 112.874 115.700 0.025 0.000 2.539 411 S HA 0.009 4.479 4.470 -0.000 0.000 0.226 411 S C 1.736 176.351 174.600 0.026 0.000 1.054 411 S CA 0.352 58.564 58.200 0.020 0.000 0.910 411 S CB -0.015 63.194 63.200 0.015 0.000 0.818 411 S HN 0.425 nan 8.310 nan 0.000 0.490 412 T N -1.316 113.258 114.554 0.034 0.000 3.081 412 T HA 0.159 4.509 4.350 -0.000 0.000 0.255 412 T C 0.619 175.342 174.700 0.038 0.000 1.113 412 T CA 0.815 62.936 62.100 0.035 0.000 1.082 412 T CB -0.520 68.371 68.868 0.039 0.000 0.939 412 T HN 0.288 nan 8.240 nan 0.000 0.506 413 D N 0.400 120.825 120.400 0.042 0.000 3.077 413 D HA -0.186 4.454 4.640 -0.000 0.000 0.217 413 D C 0.089 176.418 176.300 0.048 0.000 1.162 413 D CA 0.696 54.722 54.000 0.043 0.000 0.943 413 D CB -1.271 39.552 40.800 0.037 0.000 1.122 413 D HN 0.577 nan 8.370 nan 0.000 0.413 414 R N -0.036 120.496 120.500 0.054 0.000 2.489 414 R HA 0.395 4.735 4.340 -0.000 0.000 0.287 414 R C -0.584 175.755 176.300 0.066 0.000 1.053 414 R CA -0.219 55.916 56.100 0.059 0.000 1.036 414 R CB 0.700 31.035 30.300 0.059 0.000 0.966 414 R HN 0.001 nan 8.270 nan 0.000 0.432 415 V N 7.750 127.704 119.914 0.067 0.000 2.508 415 V HA 0.047 4.167 4.120 -0.000 0.000 0.281 415 V C 1.086 177.227 176.094 0.079 0.000 1.041 415 V CA 0.176 62.519 62.300 0.072 0.000 1.016 415 V CB 0.873 32.745 31.823 0.080 0.000 0.984 415 V HN 0.789 nan 8.190 nan 0.000 0.478 416 L N 4.040 125.310 121.223 0.078 0.000 2.642 416 L HA 0.533 4.873 4.340 -0.000 0.000 0.233 416 L C 0.958 177.876 176.870 0.079 0.000 1.077 416 L CA 0.489 55.371 54.840 0.069 0.000 0.879 416 L CB 0.388 42.477 42.059 0.049 0.000 1.151 416 L HN 0.771 nan 8.230 nan 0.000 0.495 417 G N 0.081 108.940 108.800 0.099 0.000 2.732 417 G HA2 0.670 4.630 3.960 -0.000 0.000 0.296 417 G HA3 0.670 4.630 3.960 -0.000 0.000 0.296 417 G C -1.956 172.999 174.900 0.091 0.000 1.448 417 G CA -0.058 45.109 45.100 0.112 0.000 0.911 417 G HN -0.022 nan 8.290 nan 0.000 0.528 418 A N 1.955 124.722 122.820 -0.087 0.000 2.359 418 A HA 0.838 5.158 4.320 -0.000 0.000 0.303 418 A C -0.992 176.425 177.584 -0.277 0.000 1.066 418 A CA -0.705 51.344 52.037 0.021 0.000 0.730 418 A CB 1.106 20.238 19.000 0.220 0.000 1.211 418 A HN 0.740 nan 8.150 nan 0.000 0.439 419 H N 2.280 121.459 119.070 0.182 0.000 2.609 419 H HA 0.532 5.088 4.556 -0.000 0.000 0.344 419 H C -1.303 174.119 175.328 0.157 0.000 1.040 419 H CA -0.266 55.883 56.048 0.167 0.000 1.216 419 H CB 1.759 31.555 29.762 0.057 0.000 1.529 419 H HN 0.555 nan 8.280 nan 0.000 0.519 420 I N 3.981 124.689 120.570 0.230 0.000 2.466 420 I HA 0.154 4.324 4.170 -0.000 0.000 0.289 420 I C -0.943 175.267 176.117 0.156 0.000 1.026 420 I CA -0.755 60.674 61.300 0.215 0.000 1.078 420 I CB 2.404 40.515 38.000 0.185 0.000 1.249 420 I HN 0.194 nan 8.210 nan 0.000 0.429 421 L N 6.625 127.963 121.223 0.191 0.000 2.372 421 L HA 1.002 5.342 4.340 -0.000 0.000 0.274 421 L C -0.095 176.859 176.870 0.140 0.000 0.988 421 L CA 0.375 55.267 54.840 0.087 0.000 0.833 421 L CB 1.142 43.247 42.059 0.077 0.000 1.236 421 L HN 0.836 nan 8.230 nan 0.000 0.410 422 G N 4.313 113.060 108.800 -0.089 0.000 2.325 422 G HA2 0.102 4.062 3.960 -0.000 0.000 0.285 422 G HA3 0.102 4.062 3.960 -0.000 0.000 0.285 422 G C -3.305 171.250 174.900 -0.575 0.000 1.303 422 G CA -0.521 44.372 45.100 -0.345 0.000 0.970 422 G HN 0.546 nan 8.290 nan 0.000 0.490 423 P HA 0.333 nan 4.420 nan 0.000 0.265 423 P C 1.046 178.091 177.300 -0.426 0.000 1.193 423 P CA 1.913 64.705 63.100 -0.514 0.000 0.765 423 P CB 0.750 32.216 31.700 -0.390 0.000 0.823 424 G N 2.654 111.325 108.800 -0.215 0.000 2.168 424 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 424 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 424 G C 1.087 175.917 174.900 -0.116 0.000 0.997 424 G CA 0.476 45.502 45.100 -0.123 0.000 0.708 424 G HN 0.728 nan 8.290 nan 0.000 0.520 425 A N -0.034 122.693 122.820 -0.155 0.000 1.902 425 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 425 A C 2.841 180.325 177.584 -0.167 0.000 1.181 425 A CA 2.261 54.226 52.037 -0.120 0.000 0.623 425 A CB -1.010 17.912 19.000 -0.131 0.000 0.818 425 A HN 1.619 nan 8.150 nan 0.000 0.443 426 G N -0.518 108.148 108.800 -0.223 0.000 2.440 426 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 426 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 426 G C 1.429 176.230 174.900 -0.165 0.000 1.154 426 G CA 1.128 46.068 45.100 -0.268 0.000 0.767 426 G HN 0.496 nan 8.290 nan 0.000 0.552 427 E N -0.163 119.974 120.200 -0.105 0.000 2.076 427 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 427 E C 2.382 178.911 176.600 -0.118 0.000 0.979 427 E CA 0.446 56.795 56.400 -0.085 0.000 0.807 427 E CB -0.477 29.196 29.700 -0.045 0.000 0.761 427 E HN 0.491 nan 8.360 nan 0.000 0.454 428 M N 0.732 120.260 119.600 -0.121 0.000 2.149 428 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 428 M C 2.186 178.319 176.300 -0.279 0.000 1.064 428 M CA 1.015 56.212 55.300 -0.172 0.000 1.102 428 M CB -0.013 32.531 32.600 -0.093 0.000 1.369 428 M HN -0.046 nan 8.290 nan 0.000 0.408 429 V N 1.458 121.238 119.914 -0.223 0.000 2.828 429 V HA -0.257 3.863 4.120 -0.000 0.000 0.260 429 V C 1.667 177.628 176.094 -0.222 0.000 1.101 429 V CA 1.751 63.912 62.300 -0.231 0.000 1.123 429 V CB -0.868 30.829 31.823 -0.210 0.000 0.704 429 V HN 0.573 nan 8.190 nan 0.000 0.493 430 N N -0.142 118.438 118.700 -0.200 0.000 2.354 430 N HA -0.139 4.601 4.740 -0.000 0.000 0.179 430 N C 1.773 177.198 175.510 -0.142 0.000 1.021 430 N CA 1.282 54.239 53.050 -0.155 0.000 0.887 430 N CB -0.006 38.404 38.487 -0.128 0.000 0.974 430 N HN 0.699 nan 8.380 nan 0.000 0.437 431 E N 1.323 121.398 120.200 -0.208 0.000 2.072 431 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 431 E C 1.848 178.352 176.600 -0.159 0.000 0.985 431 E CA 0.800 57.091 56.400 -0.183 0.000 0.801 431 E CB 0.065 29.605 29.700 -0.266 0.000 0.750 431 E HN 0.244 nan 8.360 nan 0.000 0.452 432 A N 1.333 123.960 122.820 -0.321 0.000 1.902 432 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 432 A C 2.408 180.005 177.584 0.021 0.000 1.181 432 A CA 1.770 53.759 52.037 -0.081 0.000 0.623 432 A CB -0.768 18.161 19.000 -0.119 0.000 0.818 432 A HN 0.419 nan 8.150 nan 0.000 0.443 433 A N -0.399 122.395 122.820 -0.044 0.000 1.902 433 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 433 A C 2.129 179.722 177.584 0.015 0.000 1.181 433 A CA 1.773 53.798 52.037 -0.020 0.000 0.623 433 A CB -0.638 18.326 19.000 -0.059 0.000 0.818 433 A HN 0.774 nan 8.150 nan 0.000 0.443 434 L N -0.183 121.055 121.223 0.026 0.000 2.046 434 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 434 L C 2.593 179.574 176.870 0.186 0.000 1.077 434 L CA 2.220 57.110 54.840 0.084 0.000 0.747 434 L CB -0.904 41.216 42.059 0.101 0.000 0.896 434 L HN 0.337 nan 8.230 nan 0.000 0.432 435 A N -0.436 122.495 122.820 0.185 0.000 1.877 435 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 435 A C 2.295 179.995 177.584 0.193 0.000 1.186 435 A CA 1.959 54.134 52.037 0.230 0.000 0.620 435 A CB -0.892 18.264 19.000 0.260 0.000 0.822 435 A HN 0.500 nan 8.150 nan 0.000 0.443 436 L N -1.105 120.200 121.223 0.137 0.000 2.083 436 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 436 L C 2.619 179.533 176.870 0.072 0.000 1.083 436 L CA 1.680 56.581 54.840 0.101 0.000 0.752 436 L CB -0.511 41.593 42.059 0.074 0.000 0.899 436 L HN 0.376 nan 8.230 nan 0.000 0.433 437 E N -0.426 119.792 120.200 0.030 0.000 2.160 437 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 437 E C 1.442 177.977 176.600 -0.108 0.000 0.991 437 E CA 1.279 57.639 56.400 -0.065 0.000 0.810 437 E CB -0.077 29.531 29.700 -0.153 0.000 0.742 437 E HN 0.399 nan 8.360 nan 0.000 0.466 438 Y N -0.769 119.554 120.300 0.039 0.000 2.461 438 Y HA 0.248 4.798 4.550 -0.000 0.000 0.277 438 Y C 1.331 177.253 175.900 0.038 0.000 1.182 438 Y CA 0.449 58.571 58.100 0.036 0.000 1.276 438 Y CB 0.459 38.940 38.460 0.036 0.000 1.087 438 Y HN 0.095 nan 8.280 nan 0.000 0.519 439 G N 0.689 109.584 108.800 0.158 0.000 2.305 439 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.287 439 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.287 439 G C 0.463 175.436 174.900 0.120 0.000 1.036 439 G CA 0.096 45.267 45.100 0.118 0.000 0.887 439 G HN 0.648 nan 8.290 nan 0.000 0.505 440 A N -0.280 122.623 122.820 0.139 0.000 2.466 440 A HA 0.718 5.038 4.320 -0.000 0.000 0.238 440 A C 1.053 178.685 177.584 0.080 0.000 1.074 440 A CA 0.908 53.010 52.037 0.109 0.000 0.774 440 A CB 0.395 19.470 19.000 0.126 0.000 1.015 440 A HN 2.037 nan 8.150 nan 0.000 0.498 441 S N -0.224 115.510 115.700 0.057 0.000 2.718 441 S HA 0.338 4.808 4.470 -0.000 0.000 0.300 441 S C 0.932 175.547 174.600 0.025 0.000 1.117 441 S CA -0.183 58.043 58.200 0.043 0.000 1.002 441 S CB 0.826 64.048 63.200 0.037 0.000 1.092 441 S HN 0.727 nan 8.310 nan 0.000 0.542 442 C N 0.557 119.865 119.300 0.013 0.000 2.425 442 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 442 C C 2.652 177.626 174.990 -0.026 0.000 1.280 442 C CA 1.056 60.060 59.018 -0.023 0.000 1.744 442 C CB -1.541 26.190 27.740 -0.015 0.000 1.989 442 C HN 1.074 nan 8.230 nan 0.000 0.491 443 E N 0.981 121.182 120.200 0.002 0.000 2.106 443 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 443 E C 1.527 178.126 176.600 -0.003 0.000 0.984 443 E CA 1.177 57.578 56.400 0.002 0.000 0.806 443 E CB -0.108 29.602 29.700 0.018 0.000 0.750 443 E HN 0.556 nan 8.360 nan 0.000 0.458 444 D N 0.571 120.975 120.400 0.007 0.000 2.116 444 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 444 D C 2.061 178.375 176.300 0.024 0.000 0.998 444 D CA 1.229 55.235 54.000 0.011 0.000 0.836 444 D CB -0.238 40.574 40.800 0.019 0.000 0.951 444 D HN 0.326 nan 8.370 nan 0.000 0.449 445 I N 1.206 121.790 120.570 0.023 0.000 2.202 445 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 445 I C 2.543 178.677 176.117 0.029 0.000 1.091 445 I CA 0.962 62.293 61.300 0.052 0.000 1.368 445 I CB -0.270 37.705 38.000 -0.041 0.000 1.058 445 I HN -0.091 nan 8.210 nan 0.000 0.410 446 A N 0.730 123.519 122.820 -0.052 0.000 2.024 446 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 446 A C 2.307 179.873 177.584 -0.030 0.000 1.164 446 A CA 1.414 53.403 52.037 -0.079 0.000 0.643 446 A CB -0.531 18.421 19.000 -0.080 0.000 0.806 446 A HN 0.369 nan 8.150 nan 0.000 0.451 447 R N -0.832 119.668 120.500 -0.001 0.000 2.297 447 R HA 0.134 4.474 4.340 -0.000 0.000 0.197 447 R C -0.247 176.076 176.300 0.038 0.000 0.943 447 R CA -0.019 56.083 56.100 0.003 0.000 1.038 447 R CB -0.007 30.287 30.300 -0.009 0.000 0.957 447 R HN 0.326 nan 8.270 nan 0.000 0.484 448 V N 1.329 121.300 119.914 0.094 0.000 2.555 448 V HA -0.019 4.101 4.120 -0.000 0.000 0.286 448 V C 0.528 176.735 176.094 0.189 0.000 1.044 448 V CA -0.741 61.619 62.300 0.101 0.000 1.026 448 V CB 1.364 33.242 31.823 0.091 0.000 0.981 448 V HN 0.283 nan 8.190 nan 0.000 0.480 449 C N 6.958 126.309 119.300 0.084 0.000 2.555 449 C HA 0.369 4.829 4.460 -0.000 0.000 0.385 449 C C 0.258 175.305 174.990 0.095 0.000 1.296 449 C CA -0.338 58.742 59.018 0.104 0.000 1.757 449 C CB -1.656 26.107 27.740 0.038 0.000 2.445 449 C HN 0.898 nan 8.230 nan 0.000 0.571 450 H N 3.575 122.661 119.070 0.027 0.000 2.458 450 H HA 0.561 5.117 4.556 -0.000 0.000 0.330 450 H C 0.561 175.921 175.328 0.053 0.000 1.111 450 H CA 0.438 56.511 56.048 0.042 0.000 1.245 450 H CB 1.339 31.132 29.762 0.051 0.000 1.456 450 H HN 0.918 nan 8.280 nan 0.000 0.488 451 A N 2.204 125.103 122.820 0.132 0.000 2.520 451 A HA 0.178 4.498 4.320 -0.000 0.000 0.235 451 A C -0.386 177.283 177.584 0.143 0.000 1.065 451 A CA 0.268 52.371 52.037 0.110 0.000 0.764 451 A CB -0.307 18.730 19.000 0.061 0.000 1.002 451 A HN 0.893 nan 8.150 nan 0.000 0.502 452 H N 2.016 121.119 119.070 0.055 0.000 2.529 452 H HA 0.630 5.186 4.556 -0.000 0.000 0.348 452 H C -2.496 172.861 175.328 0.047 0.000 1.079 452 H CA -1.544 54.535 56.048 0.052 0.000 1.198 452 H CB 1.449 31.236 29.762 0.041 0.000 1.521 452 H HN 0.567 nan 8.280 nan 0.000 0.514 453 P HA 0.276 nan 4.420 nan 0.000 0.301 453 P C -1.302 175.881 177.300 -0.194 0.000 1.338 453 P CA -0.578 62.126 63.100 -0.660 0.000 0.834 453 P CB 1.597 32.931 31.700 -0.609 0.000 0.967 454 T N -0.977 113.528 114.554 -0.083 0.000 2.903 454 T HA 0.353 4.703 4.350 -0.000 0.000 0.299 454 T C 1.205 175.958 174.700 0.088 0.000 1.093 454 T CA -0.928 61.186 62.100 0.024 0.000 1.002 454 T CB 0.991 69.898 68.868 0.065 0.000 1.127 454 T HN 0.113 nan 8.240 nan 0.000 0.488 455 L N 1.478 122.779 121.223 0.129 0.000 2.127 455 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 455 L C 3.029 180.059 176.870 0.268 0.000 1.089 455 L CA 1.680 56.673 54.840 0.254 0.000 0.757 455 L CB -0.718 41.458 42.059 0.195 0.000 0.899 455 L HN 0.959 nan 8.230 nan 0.000 0.434 456 S N -0.621 115.195 115.700 0.194 0.000 2.469 456 S HA -0.202 4.268 4.470 -0.000 0.000 0.238 456 S C 1.622 176.313 174.600 0.151 0.000 0.998 456 S CA 1.084 59.421 58.200 0.229 0.000 0.957 456 S CB -0.338 63.036 63.200 0.289 0.000 0.764 456 S HN 0.510 nan 8.310 nan 0.000 0.514 457 E N 1.380 121.614 120.200 0.056 0.000 2.204 457 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 457 E C 2.321 178.727 176.600 -0.324 0.000 0.990 457 E CA 0.919 57.241 56.400 -0.129 0.000 0.821 457 E CB -0.376 29.297 29.700 -0.045 0.000 0.750 457 E HN 0.778 nan 8.360 nan 0.000 0.477 458 A N 0.726 123.408 122.820 -0.230 0.000 1.969 458 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 458 A C 1.886 179.306 177.584 -0.274 0.000 1.169 458 A CA 0.805 52.584 52.037 -0.430 0.000 0.635 458 A CB -0.515 18.269 19.000 -0.359 0.000 0.810 458 A HN 0.336 nan 8.150 nan 0.000 0.445 459 F N 0.463 120.282 119.950 -0.218 0.000 2.163 459 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 459 F C 2.294 177.963 175.800 -0.219 0.000 1.094 459 F CA 1.720 59.639 58.000 -0.134 0.000 1.290 459 F CB -0.253 38.735 39.000 -0.020 0.000 1.017 459 F HN 0.188 nan 8.300 nan 0.000 0.483 460 R N 0.404 120.666 120.500 -0.396 0.000 2.073 460 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 460 R C 2.181 178.210 176.300 -0.451 0.000 1.134 460 R CA 1.751 57.500 56.100 -0.585 0.000 0.952 460 R CB -0.370 29.410 30.300 -0.867 0.000 0.850 460 R HN 0.302 nan 8.270 nan 0.000 0.433 461 E N 0.122 120.019 120.200 -0.506 0.000 2.110 461 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 461 E C 1.878 178.338 176.600 -0.235 0.000 0.988 461 E CA 1.169 57.284 56.400 -0.475 0.000 0.804 461 E CB -0.100 28.933 29.700 -1.112 0.000 0.745 461 E HN 0.446 nan 8.360 nan 0.000 0.458 462 A N 1.870 124.557 122.820 -0.221 0.000 1.933 462 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 462 A C 1.934 179.445 177.584 -0.121 0.000 1.175 462 A CA 1.206 53.206 52.037 -0.061 0.000 0.628 462 A CB -0.396 18.576 19.000 -0.046 0.000 0.814 462 A HN 0.160 nan 8.150 nan 0.000 0.444 463 N N -0.400 118.138 118.700 -0.269 0.000 2.216 463 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 463 N C 1.679 177.124 175.510 -0.108 0.000 1.017 463 N CA 1.413 54.325 53.050 -0.231 0.000 0.861 463 N CB -0.262 38.005 38.487 -0.367 0.000 0.986 463 N HN 0.438 nan 8.380 nan 0.000 0.428 464 L N 1.576 122.736 121.223 -0.105 0.000 2.017 464 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 464 L C 2.226 179.147 176.870 0.086 0.000 1.073 464 L CA 1.570 56.401 54.840 -0.016 0.000 0.745 464 L CB -0.953 41.076 42.059 -0.049 0.000 0.894 464 L HN 0.051 nan 8.230 nan 0.000 0.432 465 A N -0.249 122.620 122.820 0.081 0.000 1.883 465 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 465 A C 2.465 180.096 177.584 0.078 0.000 1.186 465 A CA 2.150 54.258 52.037 0.118 0.000 0.624 465 A CB -1.297 17.787 19.000 0.139 0.000 0.822 465 A HN 0.616 nan 8.150 nan 0.000 0.444 466 A N -1.256 121.593 122.820 0.047 0.000 1.933 466 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 466 A C 2.473 180.082 177.584 0.041 0.000 1.175 466 A CA 2.203 54.263 52.037 0.038 0.000 0.628 466 A CB -0.769 18.247 19.000 0.026 0.000 0.814 466 A HN 0.538 nan 8.150 nan 0.000 0.444 467 S N -1.991 113.742 115.700 0.055 0.000 2.341 467 S HA -0.023 4.447 4.470 -0.000 0.000 0.216 467 S C 1.653 176.328 174.600 0.124 0.000 1.034 467 S CA 1.264 59.508 58.200 0.074 0.000 0.964 467 S CB -0.373 62.867 63.200 0.066 0.000 0.882 467 S HN 0.563 nan 8.310 nan 0.000 0.469 468 F N 1.023 120.966 119.950 -0.012 0.000 2.569 468 F HA 0.333 4.860 4.527 -0.000 0.000 0.295 468 F C 1.574 177.372 175.800 -0.003 0.000 1.115 468 F CA 1.238 59.233 58.000 -0.008 0.000 1.450 468 F CB 0.180 39.174 39.000 -0.010 0.000 1.107 468 F HN 0.417 nan 8.300 nan 0.000 0.563 469 G N 0.749 109.514 108.800 -0.058 0.000 2.307 469 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.210 469 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.210 469 G C 0.072 174.950 174.900 -0.036 0.000 1.005 469 G CA 0.033 45.049 45.100 -0.140 0.000 0.634 469 G HN 0.586 nan 8.290 nan 0.000 0.496 470 K N -0.013 120.446 120.400 0.100 0.000 2.551 470 K HA 0.719 5.039 4.320 -0.000 0.000 0.269 470 K C -0.030 176.738 176.600 0.279 0.000 0.949 470 K CA -0.205 56.187 56.287 0.174 0.000 0.849 470 K CB 1.716 34.288 32.500 0.120 0.000 1.411 470 K HN 0.671 nan 8.250 nan 0.000 0.432 471 S N 1.018 116.860 115.700 0.236 0.000 2.694 471 S HA 0.364 4.834 4.470 -0.000 0.000 0.278 471 S C 0.955 175.668 174.600 0.188 0.000 1.152 471 S CA -0.906 57.425 58.200 0.218 0.000 1.010 471 S CB 0.365 63.775 63.200 0.350 0.000 1.104 471 S HN 0.578 nan 8.310 nan 0.000 0.547 472 I N 0.881 121.536 120.570 0.141 0.000 2.628 472 I HA 0.059 4.229 4.170 -0.000 0.000 0.255 472 I C 1.338 177.557 176.117 0.170 0.000 1.119 472 I CA 0.756 62.120 61.300 0.106 0.000 1.448 472 I CB -1.301 36.718 38.000 0.032 0.000 1.133 472 I HN 0.651 nan 8.210 nan 0.000 0.438 473 N N -0.136 118.738 118.700 0.291 0.000 2.268 473 N HA 0.084 4.824 4.740 -0.000 0.000 0.204 473 N C -0.186 175.582 175.510 0.430 0.000 1.124 473 N CA 0.164 53.430 53.050 0.361 0.000 0.838 473 N CB 0.925 39.651 38.487 0.400 0.000 0.994 473 N HN 0.141 nan 8.380 nan 0.000 0.489 474 F N 0.000 120.060 119.950 0.183 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 474 F CB 0.000 38.809 39.000 -0.319 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574