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 1zmd_1_G 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 0.000 176.002 176.000 0.003 0.000 1.003 3 Q CA 0.000 55.804 55.803 0.003 0.000 1.022 3 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 4 P HA 0.415 nan 4.420 nan 0.000 0.274 4 P C -0.167 177.136 177.300 0.004 0.000 1.237 4 P CA -0.394 62.709 63.100 0.005 0.000 0.793 4 P CB 1.117 32.821 31.700 0.007 0.000 0.977 5 I N -1.278 119.295 120.570 0.004 0.000 2.648 5 I HA 0.585 4.755 4.170 -0.000 0.000 0.304 5 I C -0.692 175.427 176.117 0.005 0.000 1.009 5 I CA -1.222 60.081 61.300 0.003 0.000 1.114 5 I CB 2.090 40.090 38.000 0.001 0.000 1.293 5 I HN 0.220 nan 8.210 nan 0.000 0.449 6 D N 3.104 123.508 120.400 0.005 0.000 2.340 6 D HA 0.858 5.498 4.640 -0.000 0.000 0.240 6 D C -0.780 175.524 176.300 0.007 0.000 1.001 6 D CA -0.654 53.351 54.000 0.007 0.000 0.888 6 D CB 2.169 42.975 40.800 0.011 0.000 1.310 6 D HN 1.020 nan 8.370 nan 0.000 0.474 7 A N 0.557 123.381 122.820 0.007 0.000 2.610 7 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 7 A C -0.519 177.070 177.584 0.009 0.000 1.086 7 A CA -0.722 51.319 52.037 0.006 0.000 0.677 7 A CB 1.390 20.383 19.000 -0.012 0.000 1.278 7 A HN 0.496 nan 8.150 nan 0.000 0.414 8 D N -0.631 119.782 120.400 0.021 0.000 2.216 8 D HA 0.196 4.836 4.640 -0.000 0.000 0.208 8 D C 0.126 176.348 176.300 -0.131 0.000 0.960 8 D CA 1.529 55.536 54.000 0.012 0.000 0.861 8 D CB 0.538 41.450 40.800 0.187 0.000 0.985 8 D HN 0.237 nan 8.370 nan 0.000 0.493 9 V N 0.779 120.609 119.914 -0.139 0.000 2.623 9 V HA 0.315 4.435 4.120 -0.000 0.000 0.304 9 V C -0.472 175.553 176.094 -0.114 0.000 1.054 9 V CA -0.599 61.580 62.300 -0.202 0.000 0.882 9 V CB 2.262 33.881 31.823 -0.341 0.000 1.002 9 V HN -0.158 nan 8.190 nan 0.000 0.424 10 T N 4.140 118.642 114.554 -0.087 0.000 2.791 10 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 10 T C -0.356 174.317 174.700 -0.046 0.000 0.999 10 T CA -0.354 61.714 62.100 -0.053 0.000 0.952 10 T CB 1.448 70.302 68.868 -0.023 0.000 0.938 10 T HN 0.346 nan 8.240 nan 0.000 0.444 11 V N 5.417 125.302 119.914 -0.049 0.000 2.407 11 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 11 V C 0.144 176.240 176.094 0.004 0.000 1.037 11 V CA -0.739 61.543 62.300 -0.029 0.000 0.900 11 V CB 1.034 32.834 31.823 -0.038 0.000 0.983 11 V HN 0.802 nan 8.190 nan 0.000 0.459 12 I N 4.981 125.560 120.570 0.014 0.000 2.306 12 I HA 0.704 4.874 4.170 -0.000 0.000 0.288 12 I C 0.702 176.835 176.117 0.026 0.000 1.036 12 I CA 0.075 61.387 61.300 0.019 0.000 1.221 12 I CB 0.932 38.941 38.000 0.016 0.000 1.385 12 I HN 0.876 nan 8.210 nan 0.000 0.472 13 G N 3.738 112.560 108.800 0.037 0.000 2.841 13 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.684 13 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.684 13 G C -0.177 174.773 174.900 0.084 0.000 1.273 13 G CA -0.281 44.845 45.100 0.043 0.000 0.811 13 G HN 0.674 nan 8.290 nan 0.000 0.631 14 S N 0.744 116.496 115.700 0.088 0.000 2.741 14 S HA 0.623 5.093 4.470 -0.000 0.000 0.247 14 S C 1.195 175.880 174.600 0.141 0.000 1.050 14 S CA 0.745 59.033 58.200 0.148 0.000 1.025 14 S CB 0.526 63.781 63.200 0.092 0.000 0.897 14 S HN 1.914 nan 8.310 nan 0.000 0.508 15 G N 2.304 111.174 108.800 0.116 0.000 2.553 15 G HA2 0.441 4.401 3.960 -0.000 0.000 0.278 15 G HA3 0.441 4.401 3.960 -0.000 0.000 0.278 15 G C -1.631 173.407 174.900 0.230 0.000 1.349 15 G CA -1.585 43.588 45.100 0.122 0.000 1.037 15 G HN 0.174 nan 8.290 nan 0.000 0.508 16 P HA -0.158 nan 4.420 nan 0.000 0.217 16 P C 2.003 179.248 177.300 -0.092 0.000 1.158 16 P CA 2.159 65.311 63.100 0.087 0.000 0.887 16 P CB -0.031 31.699 31.700 0.049 0.000 0.792 17 G N -0.848 107.925 108.800 -0.045 0.000 2.414 17 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 17 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 17 G C 1.809 176.660 174.900 -0.081 0.000 1.188 17 G CA 0.953 46.001 45.100 -0.087 0.000 0.783 17 G HN 0.368 nan 8.290 nan 0.000 0.537 18 G N 0.307 109.108 108.800 0.002 0.000 2.404 18 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 18 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 18 G C 1.732 176.702 174.900 0.115 0.000 1.174 18 G CA 1.357 46.483 45.100 0.044 0.000 0.780 18 G HN 0.616 nan 8.290 nan 0.000 0.537 19 Y N 0.791 121.154 120.300 0.104 0.000 2.293 19 Y HA 0.081 4.631 4.550 -0.000 0.000 0.291 19 Y C 2.371 178.385 175.900 0.191 0.000 1.137 19 Y CA 1.062 59.301 58.100 0.233 0.000 1.202 19 Y CB -0.587 37.916 38.460 0.070 0.000 0.990 19 Y HN 0.011 nan 8.280 nan 0.000 0.537 20 V N 1.327 120.866 119.914 -0.625 0.000 2.379 20 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 20 V C 2.887 178.868 176.094 -0.187 0.000 1.044 20 V CA 1.723 63.705 62.300 -0.531 0.000 1.036 20 V CB -1.405 30.086 31.823 -0.553 0.000 0.664 20 V HN 0.628 nan 8.190 nan 0.000 0.453 21 A N 0.136 122.867 122.820 -0.149 0.000 1.883 21 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 21 A C 2.432 179.977 177.584 -0.065 0.000 1.186 21 A CA 2.345 54.317 52.037 -0.108 0.000 0.624 21 A CB -0.873 18.056 19.000 -0.120 0.000 0.822 21 A HN 0.575 nan 8.150 nan 0.000 0.444 22 A N -0.153 122.648 122.820 -0.032 0.000 1.877 22 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 22 A C 2.163 179.730 177.584 -0.028 0.000 1.186 22 A CA 1.604 53.602 52.037 -0.064 0.000 0.620 22 A CB -0.649 18.259 19.000 -0.153 0.000 0.822 22 A HN 0.502 nan 8.150 nan 0.000 0.443 23 I N -0.796 119.816 120.570 0.069 0.000 2.127 23 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 23 I C 2.571 178.714 176.117 0.043 0.000 1.075 23 I CA 1.932 63.290 61.300 0.097 0.000 1.334 23 I CB -0.204 37.901 38.000 0.174 0.000 1.040 23 I HN 0.260 nan 8.210 nan 0.000 0.405 24 K N 1.463 121.872 120.400 0.015 0.000 2.063 24 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 24 K C 2.028 178.656 176.600 0.047 0.000 1.048 24 K CA 1.824 58.118 56.287 0.012 0.000 0.928 24 K CB -0.489 32.000 32.500 -0.018 0.000 0.713 24 K HN 0.305 nan 8.250 nan 0.000 0.442 25 A N 0.408 123.266 122.820 0.063 0.000 1.908 25 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 25 A C 2.376 180.072 177.584 0.187 0.000 1.181 25 A CA 2.179 54.333 52.037 0.194 0.000 0.627 25 A CB -1.105 17.943 19.000 0.080 0.000 0.818 25 A HN 0.426 nan 8.150 nan 0.000 0.445 26 A N -0.813 122.055 122.820 0.080 0.000 1.902 26 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 26 A C 2.090 179.687 177.584 0.022 0.000 1.181 26 A CA 1.623 53.688 52.037 0.047 0.000 0.623 26 A CB -0.570 18.436 19.000 0.011 0.000 0.818 26 A HN 0.651 nan 8.150 nan 0.000 0.443 27 Q N -0.664 119.149 119.800 0.021 0.000 2.291 27 Q HA 0.016 4.356 4.340 -0.000 0.000 0.205 27 Q C 1.593 177.574 176.000 -0.031 0.000 0.970 27 Q CA 0.909 56.712 55.803 0.001 0.000 0.876 27 Q CB -0.214 28.531 28.738 0.011 0.000 0.935 27 Q HN 0.661 nan 8.270 nan 0.000 0.455 28 L N -1.281 119.916 121.223 -0.043 0.000 2.558 28 L HA 0.120 4.460 4.340 -0.000 0.000 0.225 28 L C 1.148 177.857 176.870 -0.269 0.000 1.128 28 L CA 0.510 55.269 54.840 -0.134 0.000 0.868 28 L CB 0.207 42.198 42.059 -0.113 0.000 1.006 28 L HN 0.422 nan 8.230 nan 0.000 0.454 29 G N -0.905 107.784 108.800 -0.186 0.000 2.179 29 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 29 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 29 G C 0.066 174.859 174.900 -0.177 0.000 0.990 29 G CA -0.665 44.317 45.100 -0.197 0.000 0.646 29 G HN 0.082 nan 8.290 nan 0.000 0.517 30 F N 1.501 121.430 119.950 -0.034 0.000 2.429 30 F HA 0.488 5.015 4.527 -0.000 0.000 0.348 30 F C 1.036 176.812 175.800 -0.040 0.000 1.109 30 F CA -0.391 57.587 58.000 -0.038 0.000 1.232 30 F CB 1.041 40.010 39.000 -0.051 0.000 1.157 30 F HN 0.005 nan 8.300 nan 0.000 0.564 31 K N 2.204 122.713 120.400 0.182 0.000 2.378 31 K HA 0.250 4.570 4.320 -0.000 0.000 0.288 31 K C -0.881 175.751 176.600 0.052 0.000 1.057 31 K CA 0.064 56.398 56.287 0.079 0.000 0.971 31 K CB 0.181 32.714 32.500 0.054 0.000 0.975 31 K HN 0.698 nan 8.250 nan 0.000 0.475 32 T N 3.005 117.563 114.554 0.007 0.000 2.824 32 T HA 0.350 4.700 4.350 -0.000 0.000 0.282 32 T C -0.991 173.653 174.700 -0.092 0.000 0.993 32 T CA -0.711 61.361 62.100 -0.047 0.000 0.967 32 T CB 1.657 70.487 68.868 -0.063 0.000 0.960 32 T HN 0.245 nan 8.240 nan 0.000 0.441 33 V N 2.059 121.917 119.914 -0.092 0.000 2.555 33 V HA 0.582 4.702 4.120 -0.000 0.000 0.302 33 V C -0.335 175.694 176.094 -0.107 0.000 1.038 33 V CA -0.810 61.438 62.300 -0.088 0.000 0.887 33 V CB 1.767 33.566 31.823 -0.039 0.000 0.991 33 V HN 1.105 nan 8.190 nan 0.000 0.434 34 C N 7.157 126.386 119.300 -0.118 0.000 2.340 34 C HA 0.677 5.137 4.460 -0.000 0.000 0.323 34 C C -0.335 174.710 174.990 0.092 0.000 1.260 34 C CA -0.579 58.404 59.018 -0.058 0.000 1.464 34 C CB -0.589 27.047 27.740 -0.173 0.000 2.156 34 C HN 0.803 nan 8.230 nan 0.000 0.476 35 I N 4.863 125.485 120.570 0.086 0.000 2.353 35 I HA 0.510 4.680 4.170 -0.000 0.000 0.293 35 I C -0.268 175.917 176.117 0.114 0.000 0.992 35 I CA 0.210 61.578 61.300 0.113 0.000 1.268 35 I CB 1.454 39.489 38.000 0.058 0.000 1.387 35 I HN 0.628 nan 8.210 nan 0.000 0.478 36 E N 5.545 125.840 120.200 0.159 0.000 2.278 36 E HA 0.237 4.586 4.350 -0.000 0.000 0.272 36 E C -0.044 176.612 176.600 0.093 0.000 0.890 36 E CA -0.799 55.667 56.400 0.111 0.000 0.770 36 E CB 1.522 31.297 29.700 0.125 0.000 1.212 36 E HN 0.574 nan 8.360 nan 0.000 0.415 37 K N 2.550 122.958 120.400 0.014 0.000 2.243 37 K HA 0.153 4.473 4.320 -0.000 0.000 0.201 37 K C 0.219 176.849 176.600 0.050 0.000 1.051 37 K CA 0.162 56.468 56.287 0.030 0.000 0.970 37 K CB -0.019 32.462 32.500 -0.031 0.000 0.755 37 K HN 0.218 nan 8.250 nan 0.000 0.465 38 N N 1.912 120.626 118.700 0.024 0.000 2.317 38 N HA 0.008 4.748 4.740 -0.000 0.000 0.245 38 N C 0.577 176.111 175.510 0.039 0.000 1.294 38 N CA -0.137 52.924 53.050 0.018 0.000 0.924 38 N CB 0.553 39.031 38.487 -0.015 0.000 1.186 38 N HN 0.186 nan 8.380 nan 0.000 0.495 39 E N -0.862 119.352 120.200 0.024 0.000 2.208 39 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 39 E C 0.166 176.782 176.600 0.026 0.000 0.988 39 E CA 0.818 57.236 56.400 0.029 0.000 0.828 39 E CB 0.108 29.816 29.700 0.014 0.000 0.763 39 E HN 0.712 nan 8.360 nan 0.000 0.478 40 T N -2.074 112.478 114.554 -0.004 0.000 2.907 40 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 40 T C -0.060 174.590 174.700 -0.084 0.000 1.066 40 T CA -0.957 61.118 62.100 -0.042 0.000 1.012 40 T CB 1.433 70.263 68.868 -0.062 0.000 1.184 40 T HN -0.121 nan 8.240 nan 0.000 0.522 41 L N 0.443 121.563 121.223 -0.172 0.000 2.454 41 L HA 0.629 4.969 4.340 -0.000 0.000 0.256 41 L C 1.714 178.446 176.870 -0.229 0.000 1.136 41 L CA 0.054 54.743 54.840 -0.252 0.000 0.804 41 L CB 0.576 42.351 42.059 -0.472 0.000 1.181 41 L HN 1.184 nan 8.230 nan 0.000 0.469 42 G N -0.564 108.106 108.800 -0.216 0.000 2.238 42 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 42 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 42 G C 0.641 175.509 174.900 -0.053 0.000 0.996 42 G CA -0.055 44.941 45.100 -0.172 0.000 0.632 42 G HN 1.395 nan 8.290 nan 0.000 0.503 43 G N -0.640 108.133 108.800 -0.045 0.000 2.578 43 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.275 43 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.275 43 G C 1.091 175.972 174.900 -0.032 0.000 1.271 43 G CA 1.443 46.527 45.100 -0.027 0.000 0.941 43 G HN 1.314 nan 8.290 nan 0.000 0.564 44 T N -0.223 114.317 114.554 -0.023 0.000 2.674 44 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 44 T C 2.526 177.218 174.700 -0.013 0.000 1.039 44 T CA 2.922 65.009 62.100 -0.022 0.000 1.150 44 T CB -0.868 67.991 68.868 -0.014 0.000 0.864 44 T HN 1.213 nan 8.240 nan 0.000 0.427 45 C N 1.911 121.210 119.300 -0.002 0.000 2.336 45 C HA -0.127 4.333 4.460 -0.000 0.000 0.275 45 C C 2.544 177.524 174.990 -0.016 0.000 1.175 45 C CA 0.797 59.816 59.018 0.002 0.000 1.771 45 C CB -1.507 26.249 27.740 0.026 0.000 2.030 45 C HN 0.447 nan 8.230 nan 0.000 0.442 46 L N 1.102 122.308 121.223 -0.027 0.000 2.109 46 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 46 L C 2.462 179.301 176.870 -0.052 0.000 1.086 46 L CA 1.867 56.675 54.840 -0.054 0.000 0.760 46 L CB -1.582 40.420 42.059 -0.096 0.000 0.910 46 L HN 0.594 nan 8.230 nan 0.000 0.437 47 N N 0.049 118.720 118.700 -0.047 0.000 2.305 47 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 47 N C 1.299 176.793 175.510 -0.027 0.000 1.019 47 N CA 1.463 54.489 53.050 -0.041 0.000 0.869 47 N CB 0.668 39.127 38.487 -0.046 0.000 1.000 47 N HN 0.342 nan 8.380 nan 0.000 0.431 48 V N -3.270 116.632 119.914 -0.020 0.000 3.017 48 V HA 0.632 4.752 4.120 -0.000 0.000 0.354 48 V C 0.525 176.620 176.094 0.002 0.000 1.389 48 V CA -0.199 62.097 62.300 -0.007 0.000 1.163 48 V CB 0.535 32.354 31.823 -0.007 0.000 1.178 48 V HN 0.135 nan 8.190 nan 0.000 0.547 49 G N -0.485 108.312 108.800 -0.005 0.000 3.259 49 G HA2 0.127 4.087 3.960 -0.000 0.000 0.193 49 G HA3 0.127 4.087 3.960 -0.000 0.000 0.193 49 G C 1.108 176.001 174.900 -0.012 0.000 1.457 49 G CA 0.603 45.704 45.100 0.001 0.000 0.771 49 G HN 0.290 nan 8.290 nan 0.000 0.765 50 C N 0.624 119.913 119.300 -0.020 0.000 2.385 50 C HA -0.106 4.354 4.460 -0.000 0.000 0.275 50 C C 2.777 177.712 174.990 -0.092 0.000 1.207 50 C CA 1.533 60.516 59.018 -0.058 0.000 1.760 50 C CB -1.200 26.514 27.740 -0.045 0.000 2.051 50 C HN 0.368 nan 8.230 nan 0.000 0.467 51 I N 2.653 123.182 120.570 -0.067 0.000 2.142 51 I HA -0.058 4.112 4.170 -0.000 0.000 0.240 51 I C 0.051 176.130 176.117 -0.063 0.000 1.078 51 I CA 1.682 62.940 61.300 -0.071 0.000 1.343 51 I CB -2.947 35.019 38.000 -0.057 0.000 1.046 51 I HN 0.346 nan 8.210 nan 0.000 0.405 52 P HA -0.062 nan 4.420 nan 0.000 0.219 52 P C 1.852 179.130 177.300 -0.037 0.000 1.150 52 P CA 1.696 64.776 63.100 -0.034 0.000 0.814 52 P CB -0.071 31.620 31.700 -0.016 0.000 0.787 53 S N 0.406 116.086 115.700 -0.033 0.000 2.368 53 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 53 S C 2.004 176.569 174.600 -0.060 0.000 1.029 53 S CA 1.105 59.289 58.200 -0.028 0.000 0.988 53 S CB -0.915 62.287 63.200 0.003 0.000 0.838 53 S HN -0.006 nan 8.310 nan 0.000 0.462 54 K N 2.057 122.393 120.400 -0.108 0.000 2.148 54 K HA 0.313 4.633 4.320 -0.000 0.000 0.204 54 K C 2.299 178.849 176.600 -0.083 0.000 1.050 54 K CA 1.031 57.233 56.287 -0.143 0.000 0.942 54 K CB -0.864 31.473 32.500 -0.272 0.000 0.724 54 K HN 0.491 nan 8.250 nan 0.000 0.446 55 A N 0.549 123.328 122.820 -0.068 0.000 1.902 55 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 55 A C 2.044 179.599 177.584 -0.049 0.000 1.181 55 A CA 1.299 53.310 52.037 -0.043 0.000 0.623 55 A CB -0.584 18.393 19.000 -0.039 0.000 0.818 55 A HN 0.197 nan 8.150 nan 0.000 0.443 56 L N -0.942 120.234 121.223 -0.078 0.000 2.109 56 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 56 L C 2.521 179.321 176.870 -0.117 0.000 1.086 56 L CA 0.650 55.410 54.840 -0.132 0.000 0.760 56 L CB -0.510 41.431 42.059 -0.197 0.000 0.910 56 L HN 0.344 nan 8.230 nan 0.000 0.437 57 L N -0.042 121.138 121.223 -0.072 0.000 2.042 57 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 57 L C 2.507 179.364 176.870 -0.021 0.000 1.076 57 L CA 1.506 56.329 54.840 -0.029 0.000 0.749 57 L CB -0.582 41.489 42.059 0.020 0.000 0.893 57 L HN 0.428 nan 8.230 nan 0.000 0.432 58 N N -0.138 118.547 118.700 -0.026 0.000 2.106 58 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 58 N C 1.550 177.066 175.510 0.011 0.000 1.029 58 N CA 1.292 54.322 53.050 -0.033 0.000 0.848 58 N CB 0.062 38.572 38.487 0.038 0.000 1.007 58 N HN 0.337 nan 8.380 nan 0.000 0.423 59 N N 0.749 119.480 118.700 0.052 0.000 2.142 59 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 59 N C 1.948 177.492 175.510 0.057 0.000 1.023 59 N CA 1.477 54.580 53.050 0.089 0.000 0.852 59 N CB -0.570 37.923 38.487 0.010 0.000 0.998 59 N HN 0.380 nan 8.380 nan 0.000 0.424 60 S N -0.037 115.652 115.700 -0.019 0.000 2.383 60 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 60 S C 1.923 176.573 174.600 0.084 0.000 1.026 60 S CA 1.107 59.303 58.200 -0.007 0.000 0.981 60 S CB -0.544 62.581 63.200 -0.124 0.000 0.818 60 S HN 0.493 nan 8.310 nan 0.000 0.472 61 H N 0.613 119.640 119.070 -0.072 0.000 2.326 61 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 61 H C 1.685 176.926 175.328 -0.144 0.000 1.081 61 H CA 1.885 57.854 56.048 -0.132 0.000 1.334 61 H CB -0.696 28.881 29.762 -0.309 0.000 1.385 61 H HN 0.415 nan 8.280 nan 0.000 0.504 62 Y N -0.738 119.457 120.300 -0.176 0.000 2.274 62 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 62 Y C 2.426 178.159 175.900 -0.279 0.000 1.145 62 Y CA 1.341 59.271 58.100 -0.283 0.000 1.203 62 Y CB -1.127 37.274 38.460 -0.099 0.000 0.984 62 Y HN 0.367 nan 8.280 nan 0.000 0.533 63 Y N -0.014 120.238 120.300 -0.079 0.000 2.145 63 Y HA -0.301 4.249 4.550 -0.000 0.000 0.286 63 Y C 2.856 178.709 175.900 -0.078 0.000 1.145 63 Y CA 2.216 60.259 58.100 -0.095 0.000 1.148 63 Y CB -1.025 37.383 38.460 -0.087 0.000 0.981 63 Y HN 0.340 nan 8.280 nan 0.000 0.507 64 H N -0.727 118.177 119.070 -0.276 0.000 2.353 64 H HA -0.159 4.397 4.556 -0.000 0.000 0.300 64 H C 1.887 177.000 175.328 -0.359 0.000 1.090 64 H CA 1.532 57.397 56.048 -0.306 0.000 1.327 64 H CB 0.107 29.783 29.762 -0.144 0.000 1.383 64 H HN 0.291 nan 8.280 nan 0.000 0.508 65 M N 0.470 119.709 119.600 -0.601 0.000 2.213 65 M HA -0.083 4.396 4.480 -0.000 0.000 0.263 65 M C 2.621 178.449 176.300 -0.787 0.000 1.062 65 M CA 1.193 56.079 55.300 -0.689 0.000 1.105 65 M CB -0.990 31.228 32.600 -0.637 0.000 1.385 65 M HN 0.430 nan 8.290 nan 0.000 0.417 66 A N -1.294 121.023 122.820 -0.838 0.000 1.903 66 A HA -0.135 4.185 4.320 -0.000 0.000 0.213 66 A C 2.148 179.522 177.584 -0.349 0.000 1.185 66 A CA 1.098 52.704 52.037 -0.719 0.000 0.628 66 A CB -0.889 17.792 19.000 -0.531 0.000 0.830 66 A HN 0.539 nan 8.150 nan 0.000 0.446 67 H N -0.091 118.677 119.070 -0.504 0.000 2.436 67 H HA 0.058 4.614 4.556 -0.000 0.000 0.294 67 H C 1.369 176.544 175.328 -0.255 0.000 1.048 67 H CA 1.120 56.911 56.048 -0.429 0.000 1.353 67 H CB -0.038 29.217 29.762 -0.845 0.000 1.414 67 H HN 0.443 nan 8.280 nan 0.000 0.536 68 G N -0.694 107.972 108.800 -0.224 0.000 2.582 68 G HA2 0.028 3.988 3.960 -0.000 0.000 0.232 68 G HA3 0.028 3.988 3.960 -0.000 0.000 0.232 68 G C 0.911 175.721 174.900 -0.149 0.000 1.458 68 G CA 0.259 45.264 45.100 -0.159 0.000 1.062 68 G HN 0.260 nan 8.290 nan 0.000 0.566 69 T N -0.608 113.886 114.554 -0.100 0.000 3.023 69 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 69 T C 1.816 176.501 174.700 -0.026 0.000 1.093 69 T CA 1.394 63.462 62.100 -0.053 0.000 1.129 69 T CB -0.185 68.668 68.868 -0.024 0.000 0.899 69 T HN 0.558 nan 8.240 nan 0.000 0.491 70 D N 0.600 120.967 120.400 -0.055 0.000 2.087 70 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 70 D C 1.616 178.034 176.300 0.196 0.000 0.993 70 D CA 1.240 55.263 54.000 0.040 0.000 0.828 70 D CB -0.125 40.671 40.800 -0.007 0.000 0.968 70 D HN 0.193 nan 8.370 nan 0.000 0.448 71 F N 0.817 120.707 119.950 -0.100 0.000 2.134 71 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 71 F C 2.486 178.252 175.800 -0.057 0.000 1.097 71 F CA 0.913 58.870 58.000 -0.072 0.000 1.264 71 F CB -1.227 37.728 39.000 -0.074 0.000 1.001 71 F HN 0.042 nan 8.300 nan 0.000 0.479 72 A N -0.087 122.808 122.820 0.124 0.000 1.940 72 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 72 A C 2.353 179.947 177.584 0.017 0.000 1.176 72 A CA 2.176 54.239 52.037 0.043 0.000 0.631 72 A CB -1.226 17.783 19.000 0.014 0.000 0.814 72 A HN 0.413 nan 8.150 nan 0.000 0.446 73 S N -0.286 115.428 115.700 0.022 0.000 2.507 73 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 73 S C 1.476 176.072 174.600 -0.007 0.000 0.988 73 S CA 1.004 59.209 58.200 0.009 0.000 0.944 73 S CB -0.339 62.871 63.200 0.016 0.000 0.762 73 S HN 0.666 nan 8.310 nan 0.000 0.526 74 R N 0.431 120.915 120.500 -0.027 0.000 2.432 74 R HA 0.379 4.719 4.340 -0.000 0.000 0.260 74 R C 1.295 177.547 176.300 -0.080 0.000 0.935 74 R CA 0.276 56.335 56.100 -0.068 0.000 1.080 74 R CB 0.082 30.302 30.300 -0.134 0.000 1.155 74 R HN 0.479 nan 8.270 nan 0.000 0.531 75 G N 1.833 110.602 108.800 -0.052 0.000 2.136 75 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 75 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 75 G C 0.091 174.955 174.900 -0.059 0.000 0.989 75 G CA -0.256 44.816 45.100 -0.048 0.000 0.682 75 G HN 0.290 nan 8.290 nan 0.000 0.522 76 I N 1.550 122.076 120.570 -0.073 0.000 2.310 76 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 76 I C 0.273 176.401 176.117 0.019 0.000 1.073 76 I CA -0.325 60.936 61.300 -0.066 0.000 1.216 76 I CB 0.729 38.613 38.000 -0.194 0.000 1.415 76 I HN 0.114 nan 8.210 nan 0.000 0.480 77 E N 7.214 127.420 120.200 0.011 0.000 2.197 77 E HA 0.640 4.990 4.350 -0.000 0.000 0.281 77 E C -0.733 175.884 176.600 0.028 0.000 0.995 77 E CA -0.506 55.906 56.400 0.020 0.000 0.808 77 E CB 1.808 31.511 29.700 0.005 0.000 1.093 77 E HN 0.466 nan 8.360 nan 0.000 0.394 78 M N 0.929 120.547 119.600 0.030 0.000 2.550 78 M HA 0.247 4.727 4.480 -0.000 0.000 0.292 78 M C 0.681 176.989 176.300 0.014 0.000 1.221 78 M CA -0.664 54.654 55.300 0.029 0.000 0.873 78 M CB 2.100 34.728 32.600 0.047 0.000 1.727 78 M HN 0.558 nan 8.290 nan 0.000 0.459 79 S N 0.666 116.375 115.700 0.016 0.000 2.407 79 S HA -0.003 4.467 4.470 -0.000 0.000 0.192 79 S C 0.293 174.901 174.600 0.013 0.000 1.169 79 S CA 0.450 58.658 58.200 0.013 0.000 1.496 79 S CB -0.542 62.668 63.200 0.016 0.000 0.918 79 S HN 0.793 nan 8.310 nan 0.000 0.388 80 E N 0.666 120.882 120.200 0.026 0.000 2.158 80 E HA 0.580 4.930 4.350 -0.000 0.000 0.271 80 E C -1.581 175.059 176.600 0.067 0.000 0.911 80 E CA -1.027 55.398 56.400 0.041 0.000 0.767 80 E CB 1.739 31.467 29.700 0.047 0.000 1.120 80 E HN 0.207 nan 8.360 nan 0.000 0.405 81 V N 4.404 124.377 119.914 0.097 0.000 2.383 81 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 81 V C 0.150 176.391 176.094 0.244 0.000 1.036 81 V CA -0.444 61.942 62.300 0.144 0.000 0.889 81 V CB 0.675 32.561 31.823 0.105 0.000 0.985 81 V HN 0.665 nan 8.190 nan 0.000 0.459 82 R N 3.411 124.029 120.500 0.197 0.000 2.854 82 R HA 0.641 4.981 4.340 -0.000 0.000 0.271 82 R C -1.351 175.026 176.300 0.129 0.000 0.996 82 R CA -1.118 55.088 56.100 0.176 0.000 0.961 82 R CB 2.317 32.673 30.300 0.093 0.000 1.182 82 R HN 0.502 nan 8.270 nan 0.000 0.479 83 L N 2.128 123.349 121.223 -0.003 0.000 2.275 83 L HA 0.337 4.677 4.340 -0.000 0.000 0.288 83 L C -0.709 176.092 176.870 -0.115 0.000 1.046 83 L CA -0.194 54.525 54.840 -0.202 0.000 0.805 83 L CB 0.938 42.710 42.059 -0.479 0.000 1.193 83 L HN 0.474 nan 8.230 nan 0.000 0.426 84 N N 4.594 123.236 118.700 -0.097 0.000 2.707 84 N HA 0.077 4.817 4.740 -0.000 0.000 0.235 84 N C 0.568 176.032 175.510 -0.076 0.000 1.028 84 N CA -0.381 52.634 53.050 -0.059 0.000 0.906 84 N CB 0.697 39.165 38.487 -0.032 0.000 1.131 84 N HN 0.767 nan 8.380 nan 0.000 0.509 85 L N 3.146 124.326 121.223 -0.072 0.000 2.083 85 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 85 L C 1.187 178.041 176.870 -0.027 0.000 1.083 85 L CA 1.815 56.622 54.840 -0.056 0.000 0.752 85 L CB -0.187 41.870 42.059 -0.003 0.000 0.899 85 L HN 0.427 nan 8.230 nan 0.000 0.433 86 D N -0.329 120.060 120.400 -0.018 0.000 2.117 86 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 86 D C 2.111 178.401 176.300 -0.016 0.000 0.987 86 D CA 1.300 55.294 54.000 -0.010 0.000 0.829 86 D CB -0.021 40.774 40.800 -0.009 0.000 0.961 86 D HN 0.228 nan 8.370 nan 0.000 0.460 87 K N 0.522 120.908 120.400 -0.023 0.000 2.097 87 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 87 K C 2.058 178.641 176.600 -0.029 0.000 1.050 87 K CA 0.661 56.934 56.287 -0.023 0.000 0.938 87 K CB -0.277 32.210 32.500 -0.021 0.000 0.718 87 K HN 0.072 nan 8.250 nan 0.000 0.442 88 M N -0.588 118.984 119.600 -0.047 0.000 2.132 88 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 88 M C 1.496 177.767 176.300 -0.048 0.000 1.065 88 M CA 1.402 56.667 55.300 -0.059 0.000 1.122 88 M CB 0.029 32.563 32.600 -0.109 0.000 1.365 88 M HN 0.143 nan 8.290 nan 0.000 0.411 89 M N -0.141 119.438 119.600 -0.035 0.000 2.296 89 M HA -0.166 4.314 4.480 -0.000 0.000 0.265 89 M C 1.920 178.213 176.300 -0.013 0.000 1.064 89 M CA 1.453 56.744 55.300 -0.016 0.000 1.109 89 M CB -1.256 31.350 32.600 0.010 0.000 1.396 89 M HN 0.474 nan 8.290 nan 0.000 0.430 90 E N -0.035 120.156 120.200 -0.015 0.000 2.072 90 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 90 E C 2.042 178.632 176.600 -0.015 0.000 0.982 90 E CA 0.801 57.193 56.400 -0.013 0.000 0.803 90 E CB 0.026 29.718 29.700 -0.012 0.000 0.755 90 E HN 0.343 nan 8.360 nan 0.000 0.453 91 Q N 1.645 121.435 119.800 -0.017 0.000 2.096 91 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 91 Q C 2.082 178.072 176.000 -0.017 0.000 0.982 91 Q CA 1.859 57.653 55.803 -0.015 0.000 0.850 91 Q CB -0.252 28.480 28.738 -0.011 0.000 0.901 91 Q HN 0.234 nan 8.270 nan 0.000 0.422 92 K N -0.370 120.017 120.400 -0.022 0.000 2.026 92 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 92 K C 2.095 178.681 176.600 -0.022 0.000 1.048 92 K CA 1.654 57.926 56.287 -0.025 0.000 0.929 92 K CB -0.022 32.462 32.500 -0.027 0.000 0.713 92 K HN 0.100 nan 8.250 nan 0.000 0.439 93 S N 0.314 116.003 115.700 -0.018 0.000 2.402 93 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 93 S C 1.846 176.434 174.600 -0.021 0.000 1.021 93 S CA 1.662 59.851 58.200 -0.017 0.000 0.974 93 S CB -0.251 62.941 63.200 -0.012 0.000 0.800 93 S HN 0.443 nan 8.310 nan 0.000 0.484 94 T N 2.242 116.784 114.554 -0.020 0.000 2.821 94 T HA 0.047 4.397 4.350 -0.000 0.000 0.267 94 T C 2.152 176.837 174.700 -0.026 0.000 1.046 94 T CA 1.081 63.169 62.100 -0.021 0.000 1.139 94 T CB -0.378 68.480 68.868 -0.018 0.000 0.871 94 T HN 0.461 nan 8.240 nan 0.000 0.454 95 A N 1.029 123.832 122.820 -0.027 0.000 1.873 95 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 95 A C 2.556 180.115 177.584 -0.042 0.000 1.186 95 A CA 1.230 53.248 52.037 -0.033 0.000 0.616 95 A CB -0.990 17.991 19.000 -0.031 0.000 0.823 95 A HN 0.340 nan 8.150 nan 0.000 0.442 96 V N 0.388 120.277 119.914 -0.041 0.000 2.343 96 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 96 V C 2.549 178.611 176.094 -0.053 0.000 1.051 96 V CA 2.414 64.685 62.300 -0.049 0.000 1.036 96 V CB -0.665 31.134 31.823 -0.041 0.000 0.654 96 V HN 0.685 nan 8.190 nan 0.000 0.451 97 K N 0.207 120.582 120.400 -0.041 0.000 2.057 97 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 97 K C 2.201 178.774 176.600 -0.044 0.000 1.049 97 K CA 1.500 57.764 56.287 -0.039 0.000 0.931 97 K CB -0.301 32.183 32.500 -0.027 0.000 0.714 97 K HN 0.423 nan 8.250 nan 0.000 0.440 98 A N 1.232 124.026 122.820 -0.043 0.000 1.898 98 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 98 A C 2.088 179.633 177.584 -0.065 0.000 1.181 98 A CA 1.212 53.221 52.037 -0.047 0.000 0.620 98 A CB -0.530 18.443 19.000 -0.044 0.000 0.819 98 A HN 0.310 nan 8.150 nan 0.000 0.442 99 L N -0.084 121.093 121.223 -0.076 0.000 2.156 99 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 99 L C 2.950 179.726 176.870 -0.157 0.000 1.095 99 L CA 1.669 56.445 54.840 -0.106 0.000 0.770 99 L CB -0.863 41.137 42.059 -0.098 0.000 0.914 99 L HN 0.645 nan 8.230 nan 0.000 0.439 100 T N -3.278 111.190 114.554 -0.143 0.000 2.857 100 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 100 T C 1.949 176.546 174.700 -0.171 0.000 1.048 100 T CA 0.944 62.934 62.100 -0.185 0.000 1.139 100 T CB -0.753 68.032 68.868 -0.137 0.000 0.874 100 T HN 0.357 nan 8.240 nan 0.000 0.455 101 G N 1.174 109.920 108.800 -0.089 0.000 2.408 101 G HA2 0.120 4.080 3.960 -0.000 0.000 0.217 101 G HA3 0.120 4.080 3.960 -0.000 0.000 0.217 101 G C 1.706 176.636 174.900 0.051 0.000 1.150 101 G CA 0.539 45.632 45.100 -0.012 0.000 0.776 101 G HN 0.642 nan 8.290 nan 0.000 0.542 102 G N 1.031 109.811 108.800 -0.033 0.000 2.432 102 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 102 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 102 G C 1.720 176.550 174.900 -0.117 0.000 1.135 102 G CA 0.729 45.805 45.100 -0.041 0.000 0.767 102 G HN 0.456 nan 8.290 nan 0.000 0.550 103 I N 1.203 121.592 120.570 -0.302 0.000 2.252 103 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 103 I C 3.289 179.074 176.117 -0.553 0.000 1.102 103 I CA 0.873 61.838 61.300 -0.557 0.000 1.385 103 I CB -0.302 37.161 38.000 -0.895 0.000 1.064 103 I HN 0.238 nan 8.210 nan 0.000 0.414 104 A N 0.433 123.016 122.820 -0.395 0.000 1.908 104 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 104 A C 2.051 179.550 177.584 -0.142 0.000 1.181 104 A CA 1.920 53.790 52.037 -0.278 0.000 0.627 104 A CB -1.061 17.820 19.000 -0.200 0.000 0.818 104 A HN 0.437 nan 8.150 nan 0.000 0.445 105 H N -0.560 118.466 119.070 -0.073 0.000 2.389 105 H HA 0.040 4.596 4.556 -0.000 0.000 0.299 105 H C 1.908 177.257 175.328 0.035 0.000 1.081 105 H CA 1.665 57.709 56.048 -0.008 0.000 1.345 105 H CB -0.149 29.599 29.762 -0.023 0.000 1.393 105 H HN 0.385 nan 8.280 nan 0.000 0.520 106 L N -0.757 120.543 121.223 0.128 0.000 2.093 106 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 106 L C 1.774 178.813 176.870 0.283 0.000 1.085 106 L CA 0.538 55.474 54.840 0.160 0.000 0.755 106 L CB -0.271 41.867 42.059 0.132 0.000 0.904 106 L HN 0.266 nan 8.230 nan 0.000 0.435 107 F N 0.832 120.803 119.950 0.034 0.000 2.102 107 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 107 F C 2.510 178.328 175.800 0.029 0.000 1.105 107 F CA 1.176 59.193 58.000 0.029 0.000 1.239 107 F CB -0.772 38.228 39.000 -0.000 0.000 0.991 107 F HN 0.004 nan 8.300 nan 0.000 0.474 108 K N -0.088 120.444 120.400 0.221 0.000 2.026 108 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 108 K C 2.085 178.745 176.600 0.101 0.000 1.048 108 K CA 1.609 57.966 56.287 0.117 0.000 0.929 108 K CB -0.437 32.100 32.500 0.061 0.000 0.713 108 K HN 0.270 nan 8.250 nan 0.000 0.439 109 Q N 0.828 120.699 119.800 0.118 0.000 2.135 109 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 109 Q C 1.065 177.113 176.000 0.080 0.000 0.981 109 Q CA 1.428 57.288 55.803 0.096 0.000 0.856 109 Q CB 0.110 28.910 28.738 0.103 0.000 0.902 109 Q HN 0.301 nan 8.270 nan 0.000 0.425 110 N N -0.165 118.593 118.700 0.097 0.000 2.270 110 N HA 0.046 4.786 4.740 -0.000 0.000 0.198 110 N C -0.527 175.006 175.510 0.038 0.000 1.117 110 N CA 0.260 53.352 53.050 0.069 0.000 0.845 110 N CB 0.594 39.134 38.487 0.089 0.000 0.980 110 N HN 0.196 nan 8.380 nan 0.000 0.486 111 K N -0.366 120.057 120.400 0.038 0.000 3.339 111 K HA -0.110 4.210 4.320 -0.000 0.000 0.299 111 K C -0.591 175.993 176.600 -0.027 0.000 1.270 111 K CA 0.158 56.453 56.287 0.013 0.000 0.875 111 K CB -1.709 30.796 32.500 0.008 0.000 1.298 111 K HN -0.052 nan 8.250 nan 0.000 0.485 112 V N 1.769 121.640 119.914 -0.071 0.000 2.508 112 V HA 0.089 4.209 4.120 -0.000 0.000 0.281 112 V C 0.796 176.781 176.094 -0.182 0.000 1.041 112 V CA -0.402 61.756 62.300 -0.237 0.000 1.016 112 V CB 1.536 32.982 31.823 -0.627 0.000 0.984 112 V HN 0.039 nan 8.190 nan 0.000 0.478 113 V N 5.743 125.575 119.914 -0.137 0.000 2.408 113 V HA 0.167 4.287 4.120 -0.000 0.000 0.267 113 V C 0.356 176.444 176.094 -0.009 0.000 1.047 113 V CA -0.373 61.901 62.300 -0.043 0.000 0.937 113 V CB 0.570 32.377 31.823 -0.025 0.000 0.999 113 V HN 0.889 nan 8.190 nan 0.000 0.472 114 H N 4.865 123.918 119.070 -0.029 0.000 2.723 114 H HA 0.524 5.080 4.556 -0.000 0.000 0.294 114 H C -1.105 174.247 175.328 0.039 0.000 1.079 114 H CA -0.661 55.419 56.048 0.053 0.000 1.411 114 H CB 1.296 31.177 29.762 0.198 0.000 1.439 114 H HN 0.454 nan 8.280 nan 0.000 0.474 115 V N 5.919 125.918 119.914 0.142 0.000 2.417 115 V HA 0.082 4.202 4.120 -0.000 0.000 0.291 115 V C 0.068 176.152 176.094 -0.016 0.000 1.024 115 V CA -0.778 61.506 62.300 -0.027 0.000 0.861 115 V CB 1.407 33.243 31.823 0.022 0.000 0.985 115 V HN 0.818 nan 8.190 nan 0.000 0.436 116 N N 3.129 121.737 118.700 -0.154 0.000 2.434 116 N HA 0.687 5.427 4.740 -0.000 0.000 0.272 116 N C -0.059 175.464 175.510 0.022 0.000 1.040 116 N CA 0.373 53.402 53.050 -0.035 0.000 0.956 116 N CB 1.099 39.529 38.487 -0.094 0.000 1.108 116 N HN 1.018 nan 8.380 nan 0.000 0.481 117 G N 1.579 110.420 108.800 0.069 0.000 2.352 117 G HA2 0.003 3.963 3.960 -0.000 0.000 0.302 117 G HA3 0.003 3.963 3.960 -0.000 0.000 0.302 117 G C -2.367 172.608 174.900 0.125 0.000 1.370 117 G CA -0.904 44.254 45.100 0.097 0.000 0.918 117 G HN 0.474 nan 8.290 nan 0.000 0.610 118 Y N 1.430 121.765 120.300 0.058 0.000 2.383 118 Y HA 0.550 5.100 4.550 -0.000 0.000 0.344 118 Y C 0.902 176.840 175.900 0.064 0.000 0.986 118 Y CA 0.432 58.576 58.100 0.073 0.000 1.175 118 Y CB 1.082 39.586 38.460 0.073 0.000 1.152 118 Y HN 0.787 nan 8.280 nan 0.000 0.511 119 G N 5.595 114.432 108.800 0.062 0.000 2.395 119 G HA2 0.407 4.367 3.960 -0.000 0.000 0.283 119 G HA3 0.407 4.367 3.960 -0.000 0.000 0.283 119 G C -1.378 173.628 174.900 0.177 0.000 1.178 119 G CA -0.734 44.431 45.100 0.107 0.000 0.837 119 G HN 0.633 nan 8.290 nan 0.000 0.518 120 K N 1.996 122.482 120.400 0.144 0.000 2.482 120 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 120 K C -0.598 176.045 176.600 0.071 0.000 0.936 120 K CA -0.857 55.505 56.287 0.125 0.000 0.791 120 K CB 1.686 34.261 32.500 0.125 0.000 1.213 120 K HN 0.399 nan 8.250 nan 0.000 0.428 121 I N 4.357 124.959 120.570 0.054 0.000 2.436 121 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 121 I C 1.176 177.311 176.117 0.029 0.000 1.083 121 I CA -0.027 61.295 61.300 0.036 0.000 1.372 121 I CB 1.102 39.118 38.000 0.028 0.000 1.408 121 I HN 0.772 nan 8.210 nan 0.000 0.516 122 T N 1.182 115.752 114.554 0.026 0.000 3.069 122 T HA 0.423 4.773 4.350 -0.000 0.000 0.252 122 T C 0.563 175.271 174.700 0.014 0.000 1.053 122 T CA -0.157 61.955 62.100 0.020 0.000 0.964 122 T CB 0.373 69.254 68.868 0.022 0.000 1.005 122 T HN 0.767 nan 8.240 nan 0.000 0.532 123 G N 0.210 109.018 108.800 0.013 0.000 2.489 123 G HA2 0.392 4.352 3.960 -0.000 0.000 0.291 123 G HA3 0.392 4.352 3.960 -0.000 0.000 0.291 123 G C -0.044 174.861 174.900 0.008 0.000 1.487 123 G CA -0.698 44.407 45.100 0.009 0.000 0.795 123 G HN -0.023 nan 8.290 nan 0.000 0.513 124 K N -0.491 119.912 120.400 0.005 0.000 2.160 124 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 124 K C 0.951 177.555 176.600 0.008 0.000 1.047 124 K CA 1.628 57.916 56.287 0.003 0.000 0.930 124 K CB 0.040 32.539 32.500 -0.001 0.000 0.720 124 K HN 0.378 nan 8.250 nan 0.000 0.450 125 N N 0.368 119.073 118.700 0.009 0.000 2.480 125 N HA 0.029 4.769 4.740 -0.000 0.000 0.281 125 N C -1.249 174.268 175.510 0.011 0.000 1.381 125 N CA 0.034 53.090 53.050 0.011 0.000 0.903 125 N CB 1.295 39.788 38.487 0.011 0.000 1.274 125 N HN 0.213 nan 8.380 nan 0.000 0.505 126 Q N 0.666 120.474 119.800 0.013 0.000 2.295 126 Q HA 0.367 4.707 4.340 -0.000 0.000 0.268 126 Q C -2.007 174.005 176.000 0.019 0.000 1.010 126 Q CA -0.465 55.347 55.803 0.014 0.000 0.856 126 Q CB 2.243 30.989 28.738 0.013 0.000 1.349 126 Q HN -0.121 nan 8.270 nan 0.000 0.412 127 V N 2.304 122.231 119.914 0.020 0.000 2.604 127 V HA 0.611 4.731 4.120 -0.000 0.000 0.305 127 V C -0.608 175.505 176.094 0.032 0.000 1.043 127 V CA -0.496 61.821 62.300 0.028 0.000 0.888 127 V CB 2.204 34.043 31.823 0.027 0.000 0.995 127 V HN 0.853 nan 8.190 nan 0.000 0.429 128 T N 3.735 118.315 114.554 0.043 0.000 2.809 128 T HA 0.697 5.047 4.350 -0.000 0.000 0.284 128 T C -0.147 174.593 174.700 0.067 0.000 0.992 128 T CA -0.285 61.842 62.100 0.046 0.000 0.957 128 T CB 1.523 70.416 68.868 0.040 0.000 0.942 128 T HN 0.927 nan 8.240 nan 0.000 0.439 129 A N 2.949 125.805 122.820 0.061 0.000 2.276 129 A HA 0.697 5.017 4.320 -0.000 0.000 0.316 129 A C 0.208 177.838 177.584 0.077 0.000 1.229 129 A CA -0.626 51.459 52.037 0.080 0.000 0.851 129 A CB 0.509 19.545 19.000 0.060 0.000 1.165 129 A HN 0.682 nan 8.150 nan 0.000 0.513 130 T N 3.802 118.421 114.554 0.109 0.000 2.772 130 T HA 0.300 4.650 4.350 -0.000 0.000 0.288 130 T C 0.181 174.937 174.700 0.093 0.000 0.994 130 T CA -0.448 61.702 62.100 0.084 0.000 0.951 130 T CB 0.681 69.592 68.868 0.072 0.000 0.933 130 T HN 0.665 nan 8.240 nan 0.000 0.447 131 K N 1.314 121.749 120.400 0.059 0.000 2.132 131 K HA 0.431 4.751 4.320 -0.000 0.000 0.240 131 K C 1.630 178.260 176.600 0.051 0.000 1.036 131 K CA -0.414 55.905 56.287 0.053 0.000 0.888 131 K CB 0.402 32.918 32.500 0.027 0.000 1.071 131 K HN 0.578 nan 8.250 nan 0.000 0.502 132 A N 1.593 124.441 122.820 0.047 0.000 1.883 132 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 132 A C 1.246 178.844 177.584 0.025 0.000 1.186 132 A CA 2.238 54.300 52.037 0.040 0.000 0.624 132 A CB -0.724 18.298 19.000 0.036 0.000 0.822 132 A HN 0.867 nan 8.150 nan 0.000 0.444 133 D N -1.841 118.570 120.400 0.019 0.000 2.346 133 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 133 D C 1.104 177.410 176.300 0.011 0.000 1.173 133 D CA 0.885 54.893 54.000 0.012 0.000 0.878 133 D CB -0.760 40.046 40.800 0.009 0.000 0.919 133 D HN 0.763 nan 8.370 nan 0.000 0.513 134 G N -0.983 107.826 108.800 0.014 0.000 2.234 134 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 134 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 134 G C 0.771 175.679 174.900 0.013 0.000 0.987 134 G CA 0.058 45.165 45.100 0.011 0.000 0.625 134 G HN 0.852 nan 8.290 nan 0.000 0.532 135 G N -0.556 108.252 108.800 0.014 0.000 2.559 135 G HA2 0.473 4.433 3.960 -0.000 0.000 0.235 135 G HA3 0.473 4.433 3.960 -0.000 0.000 0.235 135 G C -0.076 174.834 174.900 0.018 0.000 1.266 135 G CA 1.198 46.306 45.100 0.012 0.000 0.847 135 G HN 0.708 nan 8.290 nan 0.000 0.583 136 T N 0.233 114.796 114.554 0.015 0.000 2.893 136 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 136 T C -0.815 173.894 174.700 0.015 0.000 1.027 136 T CA -0.317 61.794 62.100 0.019 0.000 0.988 136 T CB 1.858 70.737 68.868 0.018 0.000 1.043 136 T HN 0.612 nan 8.240 nan 0.000 0.461 137 Q N 2.506 122.318 119.800 0.019 0.000 2.285 137 Q HA 0.645 4.985 4.340 -0.000 0.000 0.269 137 Q C -1.829 174.182 176.000 0.018 0.000 1.030 137 Q CA -0.530 55.281 55.803 0.014 0.000 0.788 137 Q CB 1.580 30.323 28.738 0.009 0.000 1.266 137 Q HN 0.450 nan 8.270 nan 0.000 0.438 138 V N 5.231 125.153 119.914 0.014 0.000 2.483 138 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 138 V C -0.563 175.538 176.094 0.012 0.000 1.035 138 V CA -0.622 61.688 62.300 0.016 0.000 0.896 138 V CB 1.540 33.371 31.823 0.013 0.000 0.986 138 V HN 0.741 nan 8.190 nan 0.000 0.447 139 I N 3.737 124.315 120.570 0.013 0.000 2.439 139 I HA 0.387 4.557 4.170 -0.000 0.000 0.285 139 I C -0.439 175.683 176.117 0.009 0.000 1.021 139 I CA -0.264 61.042 61.300 0.009 0.000 1.091 139 I CB 1.707 39.711 38.000 0.007 0.000 1.242 139 I HN 0.459 nan 8.210 nan 0.000 0.439 140 D N 4.580 124.985 120.400 0.008 0.000 2.280 140 D HA 0.349 4.989 4.640 -0.000 0.000 0.243 140 D C -0.085 176.219 176.300 0.007 0.000 1.129 140 D CA 0.155 54.160 54.000 0.008 0.000 0.848 140 D CB 1.909 42.714 40.800 0.009 0.000 1.107 140 D HN 0.426 nan 8.370 nan 0.000 0.471 141 T N 0.862 115.419 114.554 0.006 0.000 2.916 141 T HA 0.189 4.539 4.350 -0.000 0.000 0.305 141 T C 0.886 175.588 174.700 0.002 0.000 1.119 141 T CA -0.667 61.433 62.100 -0.000 0.000 1.008 141 T CB 1.513 70.376 68.868 -0.009 0.000 1.129 141 T HN 0.139 nan 8.240 nan 0.000 0.480 142 K N 1.958 122.357 120.400 -0.002 0.000 2.062 142 K HA 0.107 4.427 4.320 -0.000 0.000 0.205 142 K C 0.542 177.146 176.600 0.006 0.000 1.051 142 K CA 0.838 57.129 56.287 0.006 0.000 0.941 142 K CB 0.067 32.575 32.500 0.012 0.000 0.719 142 K HN 0.498 nan 8.250 nan 0.000 0.440 143 N N 0.347 119.032 118.700 -0.025 0.000 2.240 143 N HA 0.374 5.114 4.740 -0.000 0.000 0.302 143 N C -0.976 174.534 175.510 -0.000 0.000 1.106 143 N CA -0.477 52.577 53.050 0.007 0.000 0.778 143 N CB 2.411 40.849 38.487 -0.083 0.000 1.431 143 N HN -0.086 nan 8.380 nan 0.000 0.479 144 I N 1.572 122.188 120.570 0.076 0.000 2.436 144 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 144 I C -0.975 175.208 176.117 0.110 0.000 1.010 144 I CA -0.854 60.481 61.300 0.058 0.000 1.098 144 I CB 2.093 40.125 38.000 0.053 0.000 1.266 144 I HN 0.180 nan 8.210 nan 0.000 0.434 145 L N 8.410 129.655 121.223 0.036 0.000 2.318 145 L HA 0.552 4.892 4.340 -0.000 0.000 0.277 145 L C -0.619 176.275 176.870 0.041 0.000 1.008 145 L CA -0.232 54.633 54.840 0.041 0.000 0.846 145 L CB 0.895 42.914 42.059 -0.065 0.000 1.220 145 L HN 0.386 nan 8.230 nan 0.000 0.423 146 I N 5.331 125.944 120.570 0.072 0.000 2.396 146 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 146 I C 0.704 176.851 176.117 0.049 0.000 1.056 146 I CA 0.234 61.567 61.300 0.056 0.000 1.365 146 I CB 1.226 39.263 38.000 0.062 0.000 1.407 146 I HN 0.832 nan 8.210 nan 0.000 0.509 147 A N 3.596 126.440 122.820 0.040 0.000 2.843 147 A HA 0.192 4.512 4.320 -0.000 0.000 0.248 147 A C 1.022 178.637 177.584 0.051 0.000 0.904 147 A CA -0.255 51.803 52.037 0.035 0.000 1.091 147 A CB -0.387 18.624 19.000 0.017 0.000 1.208 147 A HN 0.743 nan 8.150 nan 0.000 0.476 148 T N -3.102 111.496 114.554 0.074 0.000 3.113 148 T HA 0.384 4.734 4.350 -0.000 0.000 0.263 148 T C 1.478 176.273 174.700 0.159 0.000 1.143 148 T CA 1.227 63.400 62.100 0.122 0.000 1.090 148 T CB -0.367 68.594 68.868 0.155 0.000 0.922 148 T HN 2.024 nan 8.240 nan 0.000 0.521 149 G N 1.619 110.485 108.800 0.109 0.000 2.547 149 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.271 149 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.271 149 G C 0.056 175.036 174.900 0.134 0.000 1.209 149 G CA 0.382 45.537 45.100 0.091 0.000 0.959 149 G HN 1.553 nan 8.290 nan 0.000 0.563 150 S N -0.569 115.186 115.700 0.090 0.000 2.811 150 S HA 0.859 5.329 4.470 -0.000 0.000 0.311 150 S C -0.603 174.022 174.600 0.043 0.000 1.152 150 S CA 0.397 58.661 58.200 0.106 0.000 0.864 150 S CB 2.439 65.680 63.200 0.068 0.000 1.226 150 S HN 1.812 nan 8.310 nan 0.000 0.541 151 E N -0.699 119.542 120.200 0.068 0.000 2.412 151 E HA 0.590 4.940 4.350 -0.000 0.000 0.279 151 E C -1.406 175.229 176.600 0.058 0.000 0.984 151 E CA -1.276 55.140 56.400 0.026 0.000 0.788 151 E CB 1.298 31.030 29.700 0.054 0.000 1.277 151 E HN 0.402 nan 8.360 nan 0.000 0.455 152 V N 1.435 121.376 119.914 0.045 0.000 2.901 152 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 152 V C 0.220 176.363 176.094 0.081 0.000 1.084 152 V CA 0.476 62.813 62.300 0.062 0.000 1.184 152 V CB 0.937 32.794 31.823 0.057 0.000 0.941 152 V HN 0.728 nan 8.190 nan 0.000 0.493 153 T N 7.202 121.809 114.554 0.087 0.000 2.749 153 T HA 0.312 4.662 4.350 -0.000 0.000 0.295 153 T C -2.019 172.745 174.700 0.107 0.000 0.936 153 T CA -0.612 61.542 62.100 0.090 0.000 1.060 153 T CB 1.092 70.009 68.868 0.081 0.000 0.904 153 T HN 0.642 nan 8.240 nan 0.000 0.500 154 P HA 0.284 nan 4.420 nan 0.000 0.276 154 P C -0.958 176.448 177.300 0.176 0.000 1.244 154 P CA -0.632 62.549 63.100 0.135 0.000 0.801 154 P CB 0.673 32.440 31.700 0.110 0.000 1.006 155 F N 3.100 123.076 119.950 0.044 0.000 2.361 155 F HA 0.415 4.942 4.527 -0.000 0.000 0.364 155 F C -2.261 173.561 175.800 0.036 0.000 1.120 155 F CA -3.194 54.833 58.000 0.045 0.000 1.102 155 F CB 0.444 39.471 39.000 0.046 0.000 1.183 155 F HN 0.116 nan 8.300 nan 0.000 0.476 156 P HA 0.207 nan 4.420 nan 0.000 0.261 156 P C 0.553 178.028 177.300 0.291 0.000 1.183 156 P CA 1.374 64.573 63.100 0.166 0.000 0.761 156 P CB 0.475 32.193 31.700 0.029 0.000 0.785 157 G N 2.872 111.789 108.800 0.196 0.000 2.213 157 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.236 157 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.236 157 G C 0.073 175.040 174.900 0.113 0.000 0.991 157 G CA -0.378 44.816 45.100 0.157 0.000 0.629 157 G HN 0.509 nan 8.290 nan 0.000 0.517 158 I N 2.204 122.852 120.570 0.130 0.000 2.382 158 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 158 I C -0.202 175.929 176.117 0.024 0.000 1.002 158 I CA -0.566 60.724 61.300 -0.017 0.000 1.135 158 I CB 1.970 39.819 38.000 -0.252 0.000 1.288 158 I HN -0.026 nan 8.210 nan 0.000 0.448 159 T N 7.179 121.736 114.554 0.004 0.000 2.743 159 T HA 0.475 4.825 4.350 -0.000 0.000 0.293 159 T C 0.197 174.895 174.700 -0.003 0.000 0.945 159 T CA -0.248 61.861 62.100 0.014 0.000 1.030 159 T CB 0.566 69.441 68.868 0.011 0.000 0.912 159 T HN 0.271 nan 8.240 nan 0.000 0.483 160 I N 3.768 124.344 120.570 0.009 0.000 2.441 160 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 160 I C 0.738 176.852 176.117 -0.004 0.000 1.049 160 I CA -0.144 61.154 61.300 -0.002 0.000 1.381 160 I CB 0.965 38.973 38.000 0.014 0.000 1.409 160 I HN 0.741 nan 8.210 nan 0.000 0.523 161 D N 3.365 123.754 120.400 -0.017 0.000 2.469 161 D HA -0.005 4.635 4.640 -0.000 0.000 0.213 161 D C 0.359 176.646 176.300 -0.021 0.000 1.135 161 D CA -0.175 53.815 54.000 -0.017 0.000 0.834 161 D CB 0.276 41.062 40.800 -0.022 0.000 1.009 161 D HN 0.383 nan 8.370 nan 0.000 0.507 162 E N -0.361 119.824 120.200 -0.025 0.000 3.170 162 E HA -0.262 4.088 4.350 -0.000 0.000 0.284 162 E C 0.105 176.679 176.600 -0.043 0.000 0.967 162 E CA 1.442 57.825 56.400 -0.029 0.000 0.919 162 E CB -1.623 28.068 29.700 -0.016 0.000 1.469 162 E HN 0.624 nan 8.360 nan 0.000 0.444 163 D N -0.840 119.529 120.400 -0.052 0.000 3.154 163 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 163 D C 1.727 177.975 176.300 -0.086 0.000 1.460 163 D CA 2.070 56.033 54.000 -0.063 0.000 1.114 163 D CB -0.062 40.708 40.800 -0.050 0.000 1.151 163 D HN 0.116 nan 8.370 nan 0.000 0.376 164 T N -1.683 112.822 114.554 -0.081 0.000 3.000 164 T HA 0.344 4.694 4.350 -0.000 0.000 0.248 164 T C 0.986 175.628 174.700 -0.097 0.000 1.034 164 T CA -0.131 61.910 62.100 -0.097 0.000 1.060 164 T CB 0.435 69.253 68.868 -0.083 0.000 0.983 164 T HN 0.098 nan 8.240 nan 0.000 0.482 165 I N 3.738 124.261 120.570 -0.078 0.000 2.359 165 I HA 0.513 4.683 4.170 -0.000 0.000 0.284 165 I C -0.428 175.653 176.117 -0.059 0.000 1.018 165 I CA -1.180 60.075 61.300 -0.074 0.000 1.173 165 I CB 1.597 39.556 38.000 -0.068 0.000 1.326 165 I HN 0.126 nan 8.210 nan 0.000 0.462 166 V N 2.651 122.528 119.914 -0.061 0.000 3.113 166 V HA 0.796 4.916 4.120 -0.000 0.000 0.316 166 V C 0.084 176.170 176.094 -0.014 0.000 1.125 166 V CA -0.514 61.762 62.300 -0.040 0.000 1.026 166 V CB 1.761 33.548 31.823 -0.058 0.000 1.080 166 V HN 0.686 nan 8.190 nan 0.000 0.444 167 S N 0.483 116.186 115.700 0.005 0.000 2.768 167 S HA 0.420 4.890 4.470 -0.000 0.000 0.300 167 S C 1.339 175.961 174.600 0.037 0.000 1.122 167 S CA 0.110 58.328 58.200 0.029 0.000 0.995 167 S CB 1.125 64.345 63.200 0.032 0.000 1.195 167 S HN 1.887 nan 8.310 nan 0.000 0.547 168 S N 0.213 115.945 115.700 0.054 0.000 2.402 168 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 168 S C 1.673 176.309 174.600 0.061 0.000 1.030 168 S CA 1.797 60.039 58.200 0.071 0.000 1.003 168 S CB -1.649 61.595 63.200 0.073 0.000 0.813 168 S HN 0.778 nan 8.310 nan 0.000 0.477 169 T N 2.048 116.626 114.554 0.039 0.000 2.708 169 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 169 T C 2.065 176.785 174.700 0.033 0.000 1.037 169 T CA 1.525 63.643 62.100 0.030 0.000 1.146 169 T CB -1.114 67.761 68.868 0.013 0.000 0.865 169 T HN 0.649 nan 8.240 nan 0.000 0.435 170 G N 0.873 109.684 108.800 0.019 0.000 2.408 170 G HA2 0.015 3.975 3.960 -0.000 0.000 0.217 170 G HA3 0.015 3.975 3.960 -0.000 0.000 0.217 170 G C 1.792 176.698 174.900 0.011 0.000 1.150 170 G CA 0.785 45.886 45.100 0.002 0.000 0.776 170 G HN 0.574 nan 8.290 nan 0.000 0.542 171 A N 0.359 123.200 122.820 0.035 0.000 2.070 171 A HA 0.175 4.495 4.320 -0.000 0.000 0.220 171 A C 2.260 180.020 177.584 0.294 0.000 1.159 171 A CA 0.823 52.914 52.037 0.090 0.000 0.656 171 A CB -0.257 18.818 19.000 0.126 0.000 0.800 171 A HN 0.369 nan 8.150 nan 0.000 0.453 172 L N -0.935 120.405 121.223 0.195 0.000 2.492 172 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 172 L C 1.133 178.114 176.870 0.186 0.000 1.132 172 L CA 0.669 55.624 54.840 0.191 0.000 0.850 172 L CB 0.188 42.304 42.059 0.095 0.000 0.966 172 L HN 0.233 nan 8.230 nan 0.000 0.454 173 S N -0.411 115.383 115.700 0.157 0.000 2.855 173 S HA 0.320 4.790 4.470 -0.000 0.000 0.249 173 S C 0.408 175.062 174.600 0.089 0.000 1.033 173 S CA -0.503 57.766 58.200 0.116 0.000 1.038 173 S CB 0.307 63.540 63.200 0.054 0.000 0.960 173 S HN 0.090 nan 8.310 nan 0.000 0.548 174 L N 1.606 122.878 121.223 0.082 0.000 2.573 174 L HA 0.042 4.382 4.340 -0.000 0.000 0.290 174 L C 1.404 178.267 176.870 -0.012 0.000 1.247 174 L CA -0.067 54.705 54.840 -0.114 0.000 0.876 174 L CB 0.345 42.056 42.059 -0.581 0.000 1.123 174 L HN 0.026 nan 8.230 nan 0.000 0.505 175 K N 1.231 121.594 120.400 -0.062 0.000 2.243 175 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 175 K C -0.108 176.481 176.600 -0.017 0.000 1.051 175 K CA 1.028 57.301 56.287 -0.022 0.000 0.970 175 K CB 0.172 32.650 32.500 -0.038 0.000 0.755 175 K HN 0.291 nan 8.250 nan 0.000 0.465 176 K N -0.345 120.014 120.400 -0.069 0.000 2.512 176 K HA 0.328 4.648 4.320 -0.000 0.000 0.263 176 K C -1.028 175.508 176.600 -0.106 0.000 0.966 176 K CA -0.899 55.357 56.287 -0.051 0.000 0.851 176 K CB 2.382 34.841 32.500 -0.068 0.000 1.395 176 K HN -0.350 nan 8.250 nan 0.000 0.440 177 V N 4.430 124.350 119.914 0.009 0.000 2.479 177 V HA 0.103 4.223 4.120 -0.000 0.000 0.281 177 V C -1.701 174.331 176.094 -0.104 0.000 1.031 177 V CA -0.997 61.331 62.300 0.048 0.000 1.038 177 V CB 0.300 32.204 31.823 0.135 0.000 0.981 177 V HN 0.590 nan 8.190 nan 0.000 0.478 178 P HA 0.135 nan 4.420 nan 0.000 0.275 178 P C 0.601 177.834 177.300 -0.112 0.000 1.228 178 P CA -0.205 62.776 63.100 -0.198 0.000 0.786 178 P CB 1.366 32.892 31.700 -0.290 0.000 0.927 179 E N 1.897 122.043 120.200 -0.091 0.000 2.047 179 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 179 E C 0.084 176.641 176.600 -0.070 0.000 0.987 179 E CA 1.156 57.518 56.400 -0.063 0.000 0.799 179 E CB 0.217 29.884 29.700 -0.054 0.000 0.752 179 E HN 0.413 nan 8.360 nan 0.000 0.449 180 K N 0.214 120.561 120.400 -0.088 0.000 2.468 180 K HA 0.398 4.718 4.320 -0.000 0.000 0.252 180 K C -1.090 175.441 176.600 -0.116 0.000 0.932 180 K CA -0.460 55.772 56.287 -0.091 0.000 0.794 180 K CB 2.273 34.729 32.500 -0.074 0.000 1.241 180 K HN -0.003 nan 8.250 nan 0.000 0.428 181 M N 2.903 122.427 119.600 -0.127 0.000 2.393 181 M HA 0.399 4.879 4.480 -0.000 0.000 0.299 181 M C -1.753 174.476 176.300 -0.118 0.000 1.103 181 M CA -0.932 54.285 55.300 -0.140 0.000 0.910 181 M CB 2.025 34.520 32.600 -0.175 0.000 1.659 181 M HN 0.344 nan 8.290 nan 0.000 0.445 182 V N 4.615 124.472 119.914 -0.095 0.000 2.495 182 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 182 V C -0.768 175.302 176.094 -0.039 0.000 1.031 182 V CA -0.644 61.619 62.300 -0.061 0.000 0.871 182 V CB 2.033 33.825 31.823 -0.052 0.000 0.988 182 V HN 0.679 nan 8.190 nan 0.000 0.432 183 V N 6.170 126.088 119.914 0.006 0.000 2.417 183 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 183 V C -0.047 176.091 176.094 0.075 0.000 1.024 183 V CA -0.509 61.822 62.300 0.051 0.000 0.861 183 V CB 1.830 33.724 31.823 0.118 0.000 0.985 183 V HN 0.651 nan 8.190 nan 0.000 0.436 184 I N 4.761 125.372 120.570 0.069 0.000 2.291 184 I HA 0.643 4.813 4.170 -0.000 0.000 0.292 184 I C 0.796 176.987 176.117 0.123 0.000 1.064 184 I CA 0.155 61.516 61.300 0.102 0.000 1.269 184 I CB 0.693 38.757 38.000 0.105 0.000 1.418 184 I HN 0.902 nan 8.210 nan 0.000 0.485 185 G N 4.535 113.398 108.800 0.105 0.000 3.069 185 G HA2 0.119 4.079 3.960 -0.000 0.000 0.686 185 G HA3 0.119 4.079 3.960 -0.000 0.000 0.686 185 G C -0.453 174.496 174.900 0.081 0.000 1.161 185 G CA -0.370 44.763 45.100 0.055 0.000 0.804 185 G HN 0.880 nan 8.290 nan 0.000 0.608 186 A N 1.524 124.359 122.820 0.024 0.000 3.106 186 A HA 0.795 5.115 4.320 -0.000 0.000 0.306 186 A C 1.276 178.874 177.584 0.023 0.000 1.192 186 A CA 1.066 53.146 52.037 0.072 0.000 0.994 186 A CB -0.220 18.801 19.000 0.035 0.000 1.107 186 A HN 2.104 nan 8.150 nan 0.000 0.585 187 G N -0.991 107.844 108.800 0.057 0.000 2.510 187 G HA2 0.376 4.336 3.960 -0.000 0.000 0.280 187 G HA3 0.376 4.336 3.960 -0.000 0.000 0.280 187 G C 1.083 176.075 174.900 0.153 0.000 1.386 187 G CA 0.258 45.407 45.100 0.082 0.000 1.047 187 G HN 0.191 nan 8.290 nan 0.000 0.527 188 V N 0.112 120.127 119.914 0.169 0.000 2.287 188 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 188 V C 2.805 179.018 176.094 0.199 0.000 1.053 188 V CA 1.646 64.066 62.300 0.200 0.000 1.027 188 V CB -0.736 31.193 31.823 0.177 0.000 0.646 188 V HN 0.547 nan 8.190 nan 0.000 0.447 189 I N 0.667 121.337 120.570 0.167 0.000 2.252 189 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 189 I C 2.620 178.853 176.117 0.193 0.000 1.102 189 I CA 1.615 63.013 61.300 0.163 0.000 1.385 189 I CB -0.946 37.132 38.000 0.131 0.000 1.064 189 I HN 0.419 nan 8.210 nan 0.000 0.414 190 G N 0.569 109.485 108.800 0.193 0.000 2.446 190 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 190 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 190 G C 1.701 176.805 174.900 0.341 0.000 1.168 190 G CA 0.998 46.239 45.100 0.235 0.000 0.771 190 G HN 0.239 nan 8.290 nan 0.000 0.551 191 V N 0.511 120.609 119.914 0.307 0.000 2.358 191 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 191 V C 2.675 179.010 176.094 0.403 0.000 1.047 191 V CA 2.107 64.607 62.300 0.333 0.000 1.035 191 V CB -0.462 31.491 31.823 0.217 0.000 0.658 191 V HN 0.448 nan 8.190 nan 0.000 0.452 192 E N 0.106 120.493 120.200 0.312 0.000 2.023 192 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 192 E C 2.220 178.951 176.600 0.218 0.000 1.003 192 E CA 1.529 58.086 56.400 0.262 0.000 0.809 192 E CB -0.210 29.622 29.700 0.220 0.000 0.755 192 E HN 0.482 nan 8.360 nan 0.000 0.449 193 L N 0.007 121.358 121.223 0.214 0.000 2.156 193 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 193 L C 2.544 179.557 176.870 0.238 0.000 1.095 193 L CA 0.887 55.849 54.840 0.204 0.000 0.770 193 L CB -0.598 41.605 42.059 0.241 0.000 0.914 193 L HN 0.238 nan 8.230 nan 0.000 0.439 194 G N -0.924 108.020 108.800 0.241 0.000 2.408 194 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 194 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 194 G C 1.816 176.628 174.900 -0.147 0.000 1.150 194 G CA 0.989 46.097 45.100 0.014 0.000 0.776 194 G HN 0.313 nan 8.290 nan 0.000 0.542 195 S N -0.534 115.268 115.700 0.170 0.000 2.368 195 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 195 S C 2.543 177.142 174.600 -0.002 0.000 1.029 195 S CA 1.229 59.514 58.200 0.143 0.000 0.988 195 S CB -0.246 63.144 63.200 0.316 0.000 0.838 195 S HN 0.125 nan 8.310 nan 0.000 0.462 196 V N 0.309 120.188 119.914 -0.057 0.000 2.255 196 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 196 V C 1.990 177.853 176.094 -0.384 0.000 1.051 196 V CA 2.110 64.248 62.300 -0.271 0.000 1.018 196 V CB -0.896 30.645 31.823 -0.471 0.000 0.641 196 V HN 0.668 nan 8.190 nan 0.000 0.445 197 W N -0.610 120.640 121.300 -0.083 0.000 2.402 197 W HA -0.131 4.529 4.660 -0.000 0.000 0.286 197 W C 2.679 179.108 176.519 -0.151 0.000 1.221 197 W CA 1.157 58.430 57.345 -0.120 0.000 1.257 197 W CB -0.312 29.071 29.460 -0.128 0.000 1.120 197 W HN 0.174 nan 8.180 nan 0.000 0.551 198 Q N 1.286 121.063 119.800 -0.039 0.000 2.050 198 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 198 Q C 2.045 177.999 176.000 -0.077 0.000 0.980 198 Q CA 1.620 57.351 55.803 -0.120 0.000 0.840 198 Q CB -0.283 28.295 28.738 -0.266 0.000 0.898 198 Q HN 0.323 nan 8.270 nan 0.000 0.424 199 R N -0.090 120.359 120.500 -0.085 0.000 2.091 199 R HA -0.060 4.279 4.340 -0.000 0.000 0.238 199 R C 2.435 178.766 176.300 0.053 0.000 1.136 199 R CA 1.244 57.305 56.100 -0.064 0.000 0.959 199 R CB -0.278 30.002 30.300 -0.034 0.000 0.856 199 R HN 0.276 nan 8.270 nan 0.000 0.437 200 L N -0.813 120.396 121.223 -0.024 0.000 2.551 200 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 200 L C 1.217 178.093 176.870 0.010 0.000 1.153 200 L CA 0.873 55.665 54.840 -0.080 0.000 0.851 200 L CB 0.009 41.949 42.059 -0.198 0.000 0.959 200 L HN 0.595 nan 8.230 nan 0.000 0.451 201 G N -0.927 107.898 108.800 0.042 0.000 2.227 201 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.168 201 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.168 201 G C 0.265 175.178 174.900 0.021 0.000 1.006 201 G CA -0.194 44.927 45.100 0.035 0.000 0.684 201 G HN 0.393 nan 8.290 nan 0.000 0.489 202 A N 0.234 123.073 122.820 0.033 0.000 2.351 202 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 202 A C 0.018 177.564 177.584 -0.063 0.000 1.087 202 A CA 0.327 52.359 52.037 -0.007 0.000 0.798 202 A CB 0.600 19.613 19.000 0.022 0.000 1.033 202 A HN 0.309 nan 8.150 nan 0.000 0.488 203 D N 1.738 122.090 120.400 -0.080 0.000 2.359 203 D HA 0.409 5.049 4.640 -0.000 0.000 0.230 203 D C -1.009 175.204 176.300 -0.145 0.000 1.118 203 D CA 0.043 53.984 54.000 -0.098 0.000 0.844 203 D CB 0.913 41.671 40.800 -0.070 0.000 1.059 203 D HN 0.108 nan 8.370 nan 0.000 0.493 204 V N 3.556 123.334 119.914 -0.227 0.000 2.459 204 V HA 0.485 4.604 4.120 -0.000 0.000 0.295 204 V C 0.308 176.223 176.094 -0.298 0.000 1.029 204 V CA -0.560 61.544 62.300 -0.327 0.000 0.874 204 V CB 1.986 33.431 31.823 -0.629 0.000 0.985 204 V HN 0.559 nan 8.190 nan 0.000 0.438 205 T N 3.658 118.101 114.554 -0.185 0.000 2.879 205 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 205 T C -0.269 174.429 174.700 -0.003 0.000 0.993 205 T CA -0.334 61.713 62.100 -0.088 0.000 0.975 205 T CB 1.652 70.491 68.868 -0.048 0.000 0.981 205 T HN 0.921 nan 8.240 nan 0.000 0.439 206 A N 2.960 125.830 122.820 0.082 0.000 2.276 206 A HA 0.738 5.058 4.320 -0.000 0.000 0.316 206 A C -0.301 177.389 177.584 0.176 0.000 1.229 206 A CA -0.600 51.549 52.037 0.187 0.000 0.851 206 A CB 0.570 19.783 19.000 0.354 0.000 1.165 206 A HN 0.689 nan 8.150 nan 0.000 0.513 207 V N 2.724 122.719 119.914 0.135 0.000 2.347 207 V HA 0.495 4.615 4.120 -0.000 0.000 0.280 207 V C -0.229 175.933 176.094 0.114 0.000 1.021 207 V CA -0.351 62.023 62.300 0.124 0.000 0.847 207 V CB 1.047 32.931 31.823 0.102 0.000 0.990 207 V HN 0.973 nan 8.190 nan 0.000 0.444 208 E N 3.687 123.939 120.200 0.086 0.000 2.224 208 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 208 E C 0.120 176.721 176.600 0.000 0.000 0.878 208 E CA -0.738 55.645 56.400 -0.029 0.000 0.759 208 E CB 1.329 30.972 29.700 -0.094 0.000 1.164 208 E HN 0.464 nan 8.360 nan 0.000 0.414 209 F N 3.936 123.902 119.950 0.027 0.000 2.661 209 F HA 0.308 4.835 4.527 -0.000 0.000 0.298 209 F C -0.083 175.715 175.800 -0.004 0.000 1.137 209 F CA -0.110 57.902 58.000 0.019 0.000 1.454 209 F CB -0.381 38.635 39.000 0.027 0.000 1.103 209 F HN 0.240 nan 8.300 nan 0.000 0.577 210 L N 0.330 121.471 121.223 -0.136 0.000 2.469 210 L HA 0.437 4.777 4.340 -0.000 0.000 0.253 210 L C 1.759 178.595 176.870 -0.057 0.000 1.143 210 L CA -0.279 54.531 54.840 -0.049 0.000 0.804 210 L CB 0.550 42.442 42.059 -0.278 0.000 1.214 210 L HN 0.143 nan 8.230 nan 0.000 0.476 211 G N -1.219 107.594 108.800 0.022 0.000 3.088 211 G HA2 0.065 4.025 3.960 -0.000 0.000 0.212 211 G HA3 0.065 4.025 3.960 -0.000 0.000 0.212 211 G C 0.205 175.121 174.900 0.026 0.000 1.173 211 G CA 0.121 45.245 45.100 0.038 0.000 0.779 211 G HN 0.734 nan 8.290 nan 0.000 0.540 212 H N -2.347 116.665 119.070 -0.097 0.000 2.990 212 H HA 0.557 5.113 4.556 -0.000 0.000 0.336 212 H C -1.345 173.872 175.328 -0.185 0.000 1.306 212 H CA -0.758 55.204 56.048 -0.144 0.000 1.118 212 H CB 1.272 30.963 29.762 -0.118 0.000 1.856 212 H HN 0.180 nan 8.280 nan 0.000 0.538 213 V N -1.719 118.054 119.914 -0.235 0.000 2.732 213 V HA 0.745 4.864 4.120 -0.000 0.000 0.310 213 V C 0.926 177.055 176.094 0.057 0.000 1.053 213 V CA 0.435 62.572 62.300 -0.271 0.000 0.957 213 V CB 0.795 32.242 31.823 -0.627 0.000 1.018 213 V HN 1.485 nan 8.190 nan 0.000 0.452 214 G N 1.072 109.933 108.800 0.102 0.000 2.231 214 G HA2 0.331 4.291 3.960 -0.000 0.000 0.206 214 G HA3 0.331 4.291 3.960 -0.000 0.000 0.206 214 G C 1.585 176.621 174.900 0.226 0.000 0.996 214 G CA 0.443 45.688 45.100 0.242 0.000 0.645 214 G HN 2.912 nan 8.290 nan 0.000 0.498 215 G N -1.403 107.484 108.800 0.145 0.000 2.584 215 G HA2 0.176 4.136 3.960 -0.000 0.000 0.229 215 G HA3 0.176 4.136 3.960 -0.000 0.000 0.229 215 G C 0.511 175.565 174.900 0.257 0.000 1.320 215 G CA 0.530 45.722 45.100 0.154 0.000 0.891 215 G HN 1.813 nan 8.290 nan 0.000 0.573 216 V N 1.472 121.508 119.914 0.202 0.000 2.715 216 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 216 V C 1.920 178.144 176.094 0.216 0.000 1.054 216 V CA 2.435 64.844 62.300 0.182 0.000 1.077 216 V CB 0.647 32.555 31.823 0.142 0.000 0.972 216 V HN 2.990 nan 8.190 nan 0.000 0.484 217 G N 5.028 113.898 108.800 0.116 0.000 2.304 217 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 217 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 217 G C 0.446 175.233 174.900 -0.188 0.000 1.014 217 G CA 0.391 45.560 45.100 0.114 0.000 0.619 217 G HN 1.098 nan 8.290 nan 0.000 0.525 218 I N 2.019 122.358 120.570 -0.385 0.000 2.752 218 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 218 I C 0.641 176.339 176.117 -0.698 0.000 1.188 218 I CA 0.066 60.759 61.300 -1.011 0.000 1.427 218 I CB 0.490 38.063 38.000 -0.712 0.000 1.365 218 I HN 0.311 nan 8.210 nan 0.000 0.585 219 D N 6.326 126.272 120.400 -0.756 0.000 2.425 219 D HA -0.009 4.631 4.640 -0.000 0.000 0.247 219 D C 1.100 177.141 176.300 -0.431 0.000 1.147 219 D CA -0.272 53.372 54.000 -0.593 0.000 0.879 219 D CB 0.941 41.243 40.800 -0.829 0.000 1.179 219 D HN 0.430 nan 8.370 nan 0.000 0.456 220 M N 2.535 121.926 119.600 -0.350 0.000 2.082 220 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 220 M C 1.817 178.007 176.300 -0.184 0.000 1.069 220 M CA 1.619 56.761 55.300 -0.265 0.000 1.102 220 M CB -1.070 31.407 32.600 -0.206 0.000 1.336 220 M HN 0.731 nan 8.290 nan 0.000 0.404 221 E N 0.266 120.362 120.200 -0.173 0.000 2.051 221 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 221 E C 2.004 178.543 176.600 -0.102 0.000 0.991 221 E CA 1.016 57.348 56.400 -0.114 0.000 0.799 221 E CB 0.129 29.770 29.700 -0.098 0.000 0.748 221 E HN 0.319 nan 8.360 nan 0.000 0.449 222 I N 1.045 121.522 120.570 -0.155 0.000 2.163 222 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 222 I C 2.662 178.743 176.117 -0.059 0.000 1.085 222 I CA 1.306 62.538 61.300 -0.114 0.000 1.347 222 I CB -1.339 36.552 38.000 -0.181 0.000 1.044 222 I HN 0.213 nan 8.210 nan 0.000 0.408 223 S N 0.533 116.172 115.700 -0.102 0.000 2.383 223 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 223 S C 1.961 176.575 174.600 0.024 0.000 1.030 223 S CA 1.297 59.496 58.200 -0.001 0.000 1.002 223 S CB 0.012 63.178 63.200 -0.057 0.000 0.829 223 S HN 0.287 nan 8.310 nan 0.000 0.467 224 K N 1.311 121.698 120.400 -0.023 0.000 2.103 224 K HA 0.128 4.448 4.320 -0.000 0.000 0.204 224 K C 1.766 178.365 176.600 -0.002 0.000 1.052 224 K CA 0.906 57.176 56.287 -0.029 0.000 0.945 224 K CB -0.865 31.615 32.500 -0.033 0.000 0.722 224 K HN 0.359 nan 8.250 nan 0.000 0.443 225 N N 0.813 119.530 118.700 0.027 0.000 2.188 225 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 225 N C 1.479 177.061 175.510 0.120 0.000 1.018 225 N CA 0.581 53.664 53.050 0.056 0.000 0.858 225 N CB -0.366 38.153 38.487 0.053 0.000 0.989 225 N HN 0.084 nan 8.380 nan 0.000 0.426 226 F N 1.953 121.870 119.950 -0.055 0.000 2.075 226 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 226 F C 2.416 178.173 175.800 -0.071 0.000 1.113 226 F CA 1.479 59.448 58.000 -0.052 0.000 1.218 226 F CB -0.813 38.149 39.000 -0.064 0.000 0.984 226 F HN 0.071 nan 8.300 nan 0.000 0.472 227 Q N 0.424 120.095 119.800 -0.216 0.000 2.112 227 Q HA -0.306 4.034 4.340 -0.000 0.000 0.206 227 Q C 2.554 178.464 176.000 -0.150 0.000 0.987 227 Q CA 2.275 57.828 55.803 -0.416 0.000 0.858 227 Q CB -0.384 28.090 28.738 -0.441 0.000 0.905 227 Q HN 0.537 nan 8.270 nan 0.000 0.420 228 R N 0.007 120.475 120.500 -0.055 0.000 2.096 228 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 228 R C 2.136 178.459 176.300 0.038 0.000 1.127 228 R CA 1.514 57.620 56.100 0.011 0.000 0.968 228 R CB -0.283 30.030 30.300 0.021 0.000 0.861 228 R HN 0.344 nan 8.270 nan 0.000 0.440 229 I N 0.825 121.420 120.570 0.042 0.000 2.315 229 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 229 I C 2.134 178.294 176.117 0.070 0.000 1.117 229 I CA 0.965 62.309 61.300 0.075 0.000 1.404 229 I CB -0.097 37.973 38.000 0.116 0.000 1.071 229 I HN 0.228 nan 8.210 nan 0.000 0.419 230 L N -0.113 121.112 121.223 0.004 0.000 2.093 230 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 230 L C 2.568 179.522 176.870 0.139 0.000 1.085 230 L CA 1.369 56.229 54.840 0.033 0.000 0.755 230 L CB -0.576 41.388 42.059 -0.158 0.000 0.904 230 L HN 0.324 nan 8.230 nan 0.000 0.435 231 Q N 0.010 119.897 119.800 0.145 0.000 2.119 231 Q HA -0.246 4.094 4.340 -0.000 0.000 0.201 231 Q C 2.171 178.234 176.000 0.106 0.000 0.972 231 Q CA 1.368 57.261 55.803 0.150 0.000 0.847 231 Q CB -0.068 28.760 28.738 0.150 0.000 0.903 231 Q HN 0.354 nan 8.270 nan 0.000 0.433 232 K N 0.841 121.297 120.400 0.093 0.000 2.283 232 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 232 K C 1.659 178.312 176.600 0.089 0.000 1.048 232 K CA 1.043 57.380 56.287 0.083 0.000 0.948 232 K CB 0.182 32.731 32.500 0.082 0.000 0.742 232 K HN 0.224 nan 8.250 nan 0.000 0.458 233 Q N -1.247 118.614 119.800 0.102 0.000 2.389 233 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 233 Q C 0.863 176.894 176.000 0.051 0.000 0.944 233 Q CA 0.774 56.630 55.803 0.088 0.000 0.908 233 Q CB 0.638 29.441 28.738 0.109 0.000 1.002 233 Q HN 0.616 nan 8.270 nan 0.000 0.493 234 G N 0.053 108.895 108.800 0.069 0.000 2.229 234 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.189 234 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.189 234 G C -0.325 174.595 174.900 0.034 0.000 1.000 234 G CA -0.600 44.520 45.100 0.034 0.000 0.663 234 G HN 0.259 nan 8.290 nan 0.000 0.493 235 F N 3.197 123.078 119.950 -0.115 0.000 2.504 235 F HA 0.598 5.125 4.527 -0.000 0.000 0.369 235 F C 0.733 176.304 175.800 -0.382 0.000 1.082 235 F CA -0.479 57.366 58.000 -0.258 0.000 1.216 235 F CB 0.582 39.431 39.000 -0.252 0.000 1.108 235 F HN 0.000 nan 8.300 nan 0.000 0.554 236 K N 5.640 126.026 120.400 -0.022 0.000 2.138 236 K HA 0.520 4.840 4.320 -0.000 0.000 0.263 236 K C -1.454 174.920 176.600 -0.376 0.000 0.965 236 K CA -0.531 55.680 56.287 -0.128 0.000 0.868 236 K CB 1.424 33.892 32.500 -0.054 0.000 1.083 236 K HN 0.372 nan 8.250 nan 0.000 0.443 237 F N 1.108 121.114 119.950 0.094 0.000 2.540 237 F HA 0.365 4.892 4.527 -0.000 0.000 0.317 237 F C 0.140 175.958 175.800 0.030 0.000 1.104 237 F CA -0.808 57.216 58.000 0.040 0.000 0.913 237 F CB 1.892 40.859 39.000 -0.055 0.000 1.170 237 F HN 0.139 nan 8.300 nan 0.000 0.450 238 K N 4.558 125.087 120.400 0.216 0.000 2.562 238 K HA 0.446 4.766 4.320 -0.000 0.000 0.206 238 K C -0.807 175.870 176.600 0.129 0.000 1.033 238 K CA -0.204 56.166 56.287 0.138 0.000 1.029 238 K CB 0.669 33.228 32.500 0.099 0.000 1.393 238 K HN 0.567 nan 8.250 nan 0.000 0.539 239 L N 1.102 122.391 121.223 0.110 0.000 2.475 239 L HA 0.150 4.490 4.340 -0.000 0.000 0.253 239 L C 0.639 177.553 176.870 0.073 0.000 1.198 239 L CA -0.151 54.725 54.840 0.060 0.000 0.814 239 L CB 0.109 42.174 42.059 0.010 0.000 1.134 239 L HN 0.679 nan 8.230 nan 0.000 0.478 240 N N -1.475 117.273 118.700 0.080 0.000 2.693 240 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 240 N C -0.879 174.708 175.510 0.128 0.000 1.119 240 N CA 0.942 54.061 53.050 0.114 0.000 0.717 240 N CB -1.135 37.401 38.487 0.081 0.000 1.071 240 N HN 0.619 nan 8.380 nan 0.000 0.555 241 T N 0.296 114.939 114.554 0.148 0.000 2.841 241 T HA 0.385 4.735 4.350 -0.000 0.000 0.285 241 T C -0.133 174.689 174.700 0.204 0.000 0.991 241 T CA -0.958 61.228 62.100 0.143 0.000 0.966 241 T CB 1.623 70.558 68.868 0.112 0.000 0.962 241 T HN 0.217 nan 8.240 nan 0.000 0.438 242 K N 2.037 122.550 120.400 0.189 0.000 2.213 242 K HA 0.673 4.993 4.320 -0.000 0.000 0.270 242 K C -0.672 176.047 176.600 0.199 0.000 1.002 242 K CA -0.794 55.632 56.287 0.231 0.000 0.868 242 K CB 1.153 33.732 32.500 0.130 0.000 1.093 242 K HN 0.232 nan 8.250 nan 0.000 0.454 243 V N 3.271 123.341 119.914 0.259 0.000 2.614 243 V HA 0.022 4.142 4.120 -0.000 0.000 0.291 243 V C 1.337 177.635 176.094 0.340 0.000 1.049 243 V CA 0.222 62.657 62.300 0.225 0.000 1.038 243 V CB 1.146 33.077 31.823 0.181 0.000 0.980 243 V HN 1.127 nan 8.190 nan 0.000 0.481 244 T N 0.226 114.922 114.554 0.238 0.000 2.969 244 T HA 0.503 4.853 4.350 -0.000 0.000 0.250 244 T C 0.588 175.450 174.700 0.271 0.000 1.021 244 T CA 0.469 62.731 62.100 0.270 0.000 1.003 244 T CB 0.695 69.645 68.868 0.135 0.000 1.040 244 T HN 1.122 nan 8.240 nan 0.000 0.492 245 G N 0.055 108.913 108.800 0.096 0.000 2.430 245 G HA2 0.668 4.628 3.960 -0.000 0.000 0.300 245 G HA3 0.668 4.628 3.960 -0.000 0.000 0.300 245 G C -2.054 172.788 174.900 -0.097 0.000 1.330 245 G CA -0.351 44.748 45.100 -0.002 0.000 0.813 245 G HN 0.844 nan 8.290 nan 0.000 0.487 246 A N -1.008 121.755 122.820 -0.095 0.000 2.589 246 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 246 A C -0.781 176.765 177.584 -0.062 0.000 1.062 246 A CA -0.280 51.699 52.037 -0.096 0.000 0.686 246 A CB 1.749 20.656 19.000 -0.155 0.000 1.282 246 A HN 1.318 nan 8.150 nan 0.000 0.404 247 T N 2.463 116.986 114.554 -0.051 0.000 2.971 247 T HA 0.390 4.740 4.350 -0.000 0.000 0.304 247 T C -0.881 173.796 174.700 -0.039 0.000 1.038 247 T CA -0.732 61.346 62.100 -0.037 0.000 1.007 247 T CB 1.379 70.233 68.868 -0.024 0.000 1.055 247 T HN 0.564 nan 8.240 nan 0.000 0.451 248 K N 2.880 123.258 120.400 -0.036 0.000 2.298 248 K HA 0.364 4.684 4.320 -0.000 0.000 0.280 248 K C 0.023 176.605 176.600 -0.029 0.000 1.032 248 K CA -0.249 56.017 56.287 -0.036 0.000 0.958 248 K CB 1.208 33.688 32.500 -0.034 0.000 0.978 248 K HN 0.481 nan 8.250 nan 0.000 0.472 249 K N 0.427 120.808 120.400 -0.031 0.000 2.185 249 K HA 0.123 4.443 4.320 -0.000 0.000 0.240 249 K C 1.278 177.864 176.600 -0.025 0.000 0.983 249 K CA -0.438 55.833 56.287 -0.026 0.000 0.873 249 K CB 1.546 34.030 32.500 -0.026 0.000 1.118 249 K HN 0.494 nan 8.250 nan 0.000 0.441 250 S N 1.565 117.252 115.700 -0.021 0.000 2.359 250 S HA -0.202 4.268 4.470 -0.000 0.000 0.222 250 S C 1.322 175.909 174.600 -0.022 0.000 1.038 250 S CA 2.449 60.638 58.200 -0.019 0.000 1.051 250 S CB -0.514 62.676 63.200 -0.016 0.000 0.944 250 S HN 0.810 nan 8.310 nan 0.000 0.433 251 D N 0.097 120.484 120.400 -0.022 0.000 2.411 251 D HA 0.097 4.737 4.640 -0.000 0.000 0.226 251 D C 1.324 177.606 176.300 -0.030 0.000 0.988 251 D CA 1.092 55.078 54.000 -0.024 0.000 0.938 251 D CB -1.256 39.530 40.800 -0.023 0.000 0.883 251 D HN 0.728 nan 8.370 nan 0.000 0.525 252 G N -0.796 107.985 108.800 -0.032 0.000 2.157 252 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.239 252 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.239 252 G C 0.207 175.080 174.900 -0.045 0.000 0.982 252 G CA 0.115 45.192 45.100 -0.039 0.000 0.650 252 G HN 0.371 nan 8.290 nan 0.000 0.527 253 K N -0.127 120.248 120.400 -0.042 0.000 2.109 253 K HA 0.761 5.081 4.320 -0.000 0.000 0.243 253 K C 0.315 176.887 176.600 -0.048 0.000 1.006 253 K CA -0.642 55.617 56.287 -0.047 0.000 0.917 253 K CB 1.446 33.921 32.500 -0.040 0.000 1.081 253 K HN 0.262 nan 8.250 nan 0.000 0.468 254 I N 1.496 122.034 120.570 -0.054 0.000 2.436 254 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 254 I C -0.680 175.407 176.117 -0.051 0.000 1.010 254 I CA -0.792 60.475 61.300 -0.056 0.000 1.098 254 I CB 1.909 39.867 38.000 -0.070 0.000 1.266 254 I HN 0.250 nan 8.210 nan 0.000 0.434 255 D N 5.984 126.357 120.400 -0.044 0.000 2.274 255 D HA 0.326 4.966 4.640 -0.000 0.000 0.239 255 D C -0.510 175.764 176.300 -0.043 0.000 1.104 255 D CA -0.054 53.924 54.000 -0.037 0.000 0.840 255 D CB 2.179 42.963 40.800 -0.026 0.000 1.100 255 D HN 0.023 nan 8.370 nan 0.000 0.477 256 V N 2.405 122.294 119.914 -0.041 0.000 2.370 256 V HA 0.244 4.364 4.120 -0.000 0.000 0.283 256 V C 0.341 176.423 176.094 -0.020 0.000 1.023 256 V CA -0.672 61.600 62.300 -0.046 0.000 0.857 256 V CB 1.521 33.314 31.823 -0.051 0.000 0.985 256 V HN 0.420 nan 8.190 nan 0.000 0.443 257 S N 6.661 122.353 115.700 -0.013 0.000 2.465 257 S HA 0.659 5.129 4.470 -0.000 0.000 0.279 257 S C -0.103 174.518 174.600 0.035 0.000 1.201 257 S CA -0.333 57.875 58.200 0.013 0.000 1.053 257 S CB 0.268 63.480 63.200 0.020 0.000 0.953 257 S HN 0.679 nan 8.310 nan 0.000 0.488 258 I N 0.661 121.255 120.570 0.040 0.000 3.002 258 I HA 0.888 5.058 4.170 -0.000 0.000 0.310 258 I C -0.611 175.539 176.117 0.055 0.000 1.087 258 I CA -1.052 60.284 61.300 0.060 0.000 1.017 258 I CB 2.340 40.375 38.000 0.058 0.000 1.226 258 I HN 0.659 nan 8.210 nan 0.000 0.443 259 E N 2.692 122.931 120.200 0.065 0.000 2.447 259 E HA 0.657 5.007 4.350 -0.000 0.000 0.279 259 E C -1.422 175.213 176.600 0.058 0.000 1.053 259 E CA -1.296 55.135 56.400 0.051 0.000 0.840 259 E CB 1.524 31.248 29.700 0.040 0.000 1.409 259 E HN 0.907 nan 8.360 nan 0.000 0.461 260 A N 0.579 123.426 122.820 0.046 0.000 2.498 260 A HA 0.445 4.765 4.320 -0.000 0.000 0.239 260 A C 1.227 178.839 177.584 0.046 0.000 1.068 260 A CA 0.522 52.589 52.037 0.049 0.000 0.766 260 A CB 0.278 19.300 19.000 0.036 0.000 1.003 260 A HN 0.863 nan 8.150 nan 0.000 0.497 261 A N 2.000 124.859 122.820 0.066 0.000 1.908 261 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 261 A C 2.311 179.891 177.584 -0.006 0.000 1.181 261 A CA 2.285 54.351 52.037 0.047 0.000 0.627 261 A CB -0.719 18.353 19.000 0.121 0.000 0.818 261 A HN 1.023 nan 8.150 nan 0.000 0.445 262 S N -1.325 114.382 115.700 0.012 0.000 2.607 262 S HA 0.382 4.852 4.470 -0.000 0.000 0.224 262 S C 0.729 175.325 174.600 -0.006 0.000 0.969 262 S CA 1.135 59.334 58.200 -0.002 0.000 0.927 262 S CB -0.745 62.461 63.200 0.011 0.000 0.772 262 S HN 1.865 nan 8.310 nan 0.000 0.533 263 G N -0.855 107.944 108.800 -0.001 0.000 2.906 263 G HA2 0.451 4.411 3.960 -0.000 0.000 0.686 263 G HA3 0.451 4.411 3.960 -0.000 0.000 0.686 263 G C 0.160 175.065 174.900 0.009 0.000 1.170 263 G CA -0.716 44.383 45.100 -0.001 0.000 0.775 263 G HN 1.315 nan 8.290 nan 0.000 0.630 264 G N 1.075 109.882 108.800 0.011 0.000 2.698 264 G HA2 0.347 4.307 3.960 -0.000 0.000 0.225 264 G HA3 0.347 4.307 3.960 -0.000 0.000 0.225 264 G C 0.498 175.410 174.900 0.020 0.000 1.345 264 G CA 0.879 45.987 45.100 0.014 0.000 0.871 264 G HN 2.345 nan 8.290 nan 0.000 0.540 265 K N -1.820 118.591 120.400 0.019 0.000 3.096 265 K HA -0.004 4.316 4.320 -0.000 0.000 0.266 265 K C 0.707 177.322 176.600 0.025 0.000 1.043 265 K CA 1.247 57.547 56.287 0.022 0.000 0.758 265 K CB -1.588 30.927 32.500 0.026 0.000 1.260 265 K HN 2.328 nan 8.250 nan 0.000 0.481 266 A N 1.768 124.601 122.820 0.022 0.000 2.524 266 A HA 0.229 4.549 4.320 -0.000 0.000 0.250 266 A C 0.077 177.673 177.584 0.021 0.000 1.078 266 A CA 0.553 52.604 52.037 0.023 0.000 0.761 266 A CB 0.200 19.212 19.000 0.020 0.000 1.012 266 A HN 0.489 nan 8.150 nan 0.000 0.500 267 E N 0.708 120.922 120.200 0.023 0.000 2.449 267 E HA 0.642 4.992 4.350 -0.000 0.000 0.278 267 E C -1.591 175.018 176.600 0.016 0.000 0.992 267 E CA -0.947 55.464 56.400 0.019 0.000 0.807 267 E CB 2.166 31.878 29.700 0.021 0.000 1.350 267 E HN 0.361 nan 8.360 nan 0.000 0.462 268 V N 1.668 121.588 119.914 0.010 0.000 2.789 268 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 268 V C -0.543 175.551 176.094 -0.001 0.000 1.073 268 V CA -0.705 61.597 62.300 0.003 0.000 0.921 268 V CB 1.721 33.543 31.823 -0.001 0.000 1.009 268 V HN 0.576 nan 8.190 nan 0.000 0.426 269 I N 0.238 120.805 120.570 -0.006 0.000 2.828 269 I HA 0.847 5.017 4.170 -0.000 0.000 0.302 269 I C -0.527 175.577 176.117 -0.023 0.000 1.101 269 I CA -0.453 60.840 61.300 -0.012 0.000 1.031 269 I CB 2.669 40.665 38.000 -0.008 0.000 1.231 269 I HN 0.469 nan 8.210 nan 0.000 0.427 270 T N 3.048 117.586 114.554 -0.028 0.000 2.885 270 T HA 0.713 5.063 4.350 -0.000 0.000 0.285 270 T C -0.485 174.187 174.700 -0.046 0.000 1.019 270 T CA -0.486 61.593 62.100 -0.036 0.000 1.010 270 T CB 1.555 70.404 68.868 -0.031 0.000 1.022 270 T HN 0.991 nan 8.240 nan 0.000 0.466 271 C N 0.378 119.644 119.300 -0.056 0.000 3.321 271 C HA 0.597 5.057 4.460 -0.000 0.000 0.329 271 C C 0.514 175.457 174.990 -0.078 0.000 1.394 271 C CA -0.813 58.163 59.018 -0.070 0.000 1.291 271 C CB 1.019 28.711 27.740 -0.080 0.000 1.606 271 C HN 0.809 nan 8.230 nan 0.000 0.463 272 D N 0.099 120.444 120.400 -0.092 0.000 2.240 272 D HA 0.143 4.783 4.640 -0.000 0.000 0.206 272 D C 0.293 176.520 176.300 -0.122 0.000 0.963 272 D CA 1.324 55.264 54.000 -0.101 0.000 0.863 272 D CB 0.676 41.412 40.800 -0.107 0.000 0.973 272 D HN 0.432 nan 8.370 nan 0.000 0.501 273 V N 1.360 121.189 119.914 -0.142 0.000 2.760 273 V HA 0.304 4.424 4.120 -0.000 0.000 0.309 273 V C -1.109 174.902 176.094 -0.138 0.000 1.077 273 V CA -0.934 61.269 62.300 -0.161 0.000 0.910 273 V CB 2.992 34.671 31.823 -0.240 0.000 1.008 273 V HN -0.072 nan 8.190 nan 0.000 0.424 274 L N 5.685 126.836 121.223 -0.121 0.000 2.319 274 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 274 L C -1.043 175.773 176.870 -0.090 0.000 1.005 274 L CA -0.362 54.416 54.840 -0.103 0.000 0.828 274 L CB 1.430 43.425 42.059 -0.108 0.000 1.227 274 L HN 0.633 nan 8.230 nan 0.000 0.415 275 L N 6.850 128.033 121.223 -0.066 0.000 2.272 275 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 275 L C -1.043 175.826 176.870 -0.001 0.000 1.032 275 L CA -0.198 54.624 54.840 -0.030 0.000 0.810 275 L CB 1.537 43.592 42.059 -0.006 0.000 1.205 275 L HN 0.383 nan 8.230 nan 0.000 0.422 276 V N 5.309 125.229 119.914 0.010 0.000 2.318 276 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 276 V C -0.121 176.026 176.094 0.088 0.000 1.030 276 V CA -0.383 61.945 62.300 0.047 0.000 0.844 276 V CB 0.465 32.313 31.823 0.042 0.000 1.015 276 V HN 0.978 nan 8.190 nan 0.000 0.460 277 C N 4.189 123.555 119.300 0.109 0.000 3.328 277 C HA 0.562 5.022 4.460 -0.000 0.000 0.230 277 C C 0.770 175.831 174.990 0.117 0.000 1.232 277 C CA -0.826 58.258 59.018 0.110 0.000 1.431 277 C CB -1.125 26.679 27.740 0.107 0.000 1.818 277 C HN 0.854 nan 8.230 nan 0.000 0.484 278 I N -0.051 120.600 120.570 0.135 0.000 3.889 278 I HA 0.682 4.852 4.170 -0.000 0.000 0.332 278 I C 0.748 176.922 176.117 0.095 0.000 1.493 278 I CA 0.357 61.732 61.300 0.125 0.000 1.158 278 I CB -0.181 37.927 38.000 0.180 0.000 1.117 278 I HN 0.881 nan 8.210 nan 0.000 0.411 279 G N 1.283 110.136 108.800 0.088 0.000 2.381 279 G HA2 0.073 4.033 3.960 -0.000 0.000 0.672 279 G HA3 0.073 4.033 3.960 -0.000 0.000 0.672 279 G C -1.184 173.761 174.900 0.075 0.000 1.324 279 G CA -1.139 44.007 45.100 0.076 0.000 0.975 279 G HN 0.339 nan 8.290 nan 0.000 0.593 280 R N -0.528 120.012 120.500 0.066 0.000 2.837 280 R HA 0.815 5.155 4.340 -0.000 0.000 0.271 280 R C 0.188 176.527 176.300 0.065 0.000 0.993 280 R CA -1.019 55.120 56.100 0.065 0.000 0.931 280 R CB 2.327 32.661 30.300 0.056 0.000 1.206 280 R HN 0.909 nan 8.270 nan 0.000 0.474 281 R N 0.307 120.853 120.500 0.077 0.000 2.808 281 R HA 0.543 4.883 4.340 -0.000 0.000 0.272 281 R C -2.891 173.471 176.300 0.103 0.000 0.995 281 R CA -2.228 53.919 56.100 0.079 0.000 0.917 281 R CB 1.734 32.081 30.300 0.079 0.000 1.217 281 R HN 0.293 nan 8.270 nan 0.000 0.471 282 P HA -0.015 nan 4.420 nan 0.000 0.267 282 P C -1.221 176.175 177.300 0.160 0.000 1.205 282 P CA 0.085 63.251 63.100 0.110 0.000 0.765 282 P CB 0.327 32.066 31.700 0.066 0.000 0.828 283 F N 4.152 124.120 119.950 0.029 0.000 2.385 283 F HA 0.357 4.884 4.527 -0.000 0.000 0.360 283 F C 0.687 176.510 175.800 0.037 0.000 1.122 283 F CA 0.021 58.043 58.000 0.037 0.000 1.090 283 F CB 1.100 40.121 39.000 0.034 0.000 1.150 283 F HN 0.314 nan 8.300 nan 0.000 0.472 284 T N 1.264 115.530 114.554 -0.480 0.000 3.332 284 T HA 0.242 4.592 4.350 -0.000 0.000 0.304 284 T C 0.153 174.595 174.700 -0.430 0.000 0.971 284 T CA -0.563 61.339 62.100 -0.328 0.000 0.954 284 T CB -0.310 68.478 68.868 -0.133 0.000 1.175 284 T HN 0.409 nan 8.240 nan 0.000 0.519 285 K N 2.563 122.450 120.400 -0.855 0.000 2.511 285 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 285 K C 0.152 176.693 176.600 -0.097 0.000 1.008 285 K CA 0.462 56.480 56.287 -0.448 0.000 1.050 285 K CB -0.082 32.151 32.500 -0.444 0.000 0.889 285 K HN 0.468 nan 8.250 nan 0.000 0.484 286 N N 1.068 119.742 118.700 -0.043 0.000 2.710 286 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 286 N C 0.257 175.840 175.510 0.122 0.000 1.059 286 N CA 0.020 53.084 53.050 0.023 0.000 0.720 286 N CB -0.559 37.900 38.487 -0.047 0.000 0.983 286 N HN 0.395 nan 8.380 nan 0.000 0.544 287 L N -0.689 120.574 121.223 0.068 0.000 2.341 287 L HA 0.227 4.567 4.340 -0.000 0.000 0.214 287 L C 1.685 178.584 176.870 0.047 0.000 1.115 287 L CA 1.954 56.838 54.840 0.073 0.000 0.820 287 L CB -0.299 41.771 42.059 0.018 0.000 0.944 287 L HN 0.470 nan 8.230 nan 0.000 0.452 288 G N -1.625 107.189 108.800 0.023 0.000 2.134 288 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 288 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 288 G C 0.998 175.900 174.900 0.003 0.000 0.993 288 G CA 0.389 45.497 45.100 0.014 0.000 0.669 288 G HN 0.329 nan 8.290 nan 0.000 0.519 289 L N -0.120 121.101 121.223 -0.004 0.000 2.083 289 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 289 L C 2.559 179.423 176.870 -0.010 0.000 1.083 289 L CA 2.084 56.919 54.840 -0.008 0.000 0.752 289 L CB -0.368 41.682 42.059 -0.014 0.000 0.899 289 L HN 0.507 nan 8.230 nan 0.000 0.433 290 E N 0.721 120.914 120.200 -0.013 0.000 2.051 290 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 290 E C 1.974 178.568 176.600 -0.009 0.000 0.991 290 E CA 1.577 57.970 56.400 -0.012 0.000 0.799 290 E CB 0.128 29.819 29.700 -0.014 0.000 0.748 290 E HN 0.447 nan 8.360 nan 0.000 0.449 291 E N 0.442 120.638 120.200 -0.007 0.000 2.160 291 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 291 E C 2.011 178.608 176.600 -0.005 0.000 0.991 291 E CA 0.947 57.344 56.400 -0.005 0.000 0.810 291 E CB -0.078 29.621 29.700 -0.002 0.000 0.742 291 E HN 0.324 nan 8.360 nan 0.000 0.466 292 L N -1.102 120.117 121.223 -0.006 0.000 2.313 292 L HA 0.102 4.442 4.340 -0.000 0.000 0.214 292 L C 1.343 178.207 176.870 -0.011 0.000 1.119 292 L CA 0.559 55.394 54.840 -0.007 0.000 0.809 292 L CB -0.097 41.958 42.059 -0.006 0.000 0.933 292 L HN 0.416 nan 8.230 nan 0.000 0.449 293 G N 0.655 109.449 108.800 -0.011 0.000 2.132 293 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.234 293 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.234 293 G C 0.151 175.042 174.900 -0.015 0.000 0.989 293 G CA -0.357 44.735 45.100 -0.013 0.000 0.676 293 G HN 0.257 nan 8.290 nan 0.000 0.522 294 I N 1.676 122.237 120.570 -0.015 0.000 2.281 294 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 294 I C 0.578 176.686 176.117 -0.014 0.000 1.085 294 I CA -0.304 60.986 61.300 -0.016 0.000 1.257 294 I CB 0.621 38.612 38.000 -0.015 0.000 1.430 294 I HN 0.146 nan 8.210 nan 0.000 0.489 295 E N 6.062 126.254 120.200 -0.014 0.000 2.331 295 E HA 0.404 4.754 4.350 -0.000 0.000 0.272 295 E C -0.540 176.053 176.600 -0.010 0.000 1.036 295 E CA -0.540 55.853 56.400 -0.012 0.000 0.864 295 E CB 1.412 31.105 29.700 -0.012 0.000 1.035 295 E HN 0.467 nan 8.360 nan 0.000 0.408 296 L N 2.366 123.583 121.223 -0.010 0.000 2.456 296 L HA 0.196 4.536 4.340 -0.000 0.000 0.257 296 L C 0.546 177.413 176.870 -0.004 0.000 1.162 296 L CA -0.794 54.042 54.840 -0.006 0.000 0.808 296 L CB 0.364 42.418 42.059 -0.009 0.000 1.136 296 L HN 0.643 nan 8.230 nan 0.000 0.466 297 D N 0.412 120.811 120.400 -0.001 0.000 2.451 297 D HA 0.179 4.819 4.640 -0.000 0.000 0.259 297 D C -2.054 174.247 176.300 0.001 0.000 1.201 297 D CA -1.978 52.021 54.000 -0.000 0.000 1.028 297 D CB 0.093 40.894 40.800 0.001 0.000 1.095 297 D HN 0.138 nan 8.370 nan 0.000 0.539 298 P HA -0.089 nan 4.420 nan 0.000 0.218 298 P C 0.897 178.201 177.300 0.007 0.000 1.146 298 P CA 1.284 64.386 63.100 0.004 0.000 0.813 298 P CB 0.144 31.847 31.700 0.004 0.000 0.778 299 R N -2.194 118.311 120.500 0.009 0.000 2.334 299 R HA 0.281 4.621 4.340 -0.000 0.000 0.216 299 R C 1.167 177.477 176.300 0.017 0.000 0.905 299 R CA 0.692 56.801 56.100 0.015 0.000 1.064 299 R CB -0.128 30.181 30.300 0.016 0.000 1.046 299 R HN 0.171 nan 8.270 nan 0.000 0.508 300 G N 1.689 110.495 108.800 0.011 0.000 2.175 300 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 300 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 300 G C 0.026 174.933 174.900 0.012 0.000 0.982 300 G CA -0.255 44.851 45.100 0.010 0.000 0.641 300 G HN 0.256 nan 8.290 nan 0.000 0.527 301 R N -0.349 120.160 120.500 0.014 0.000 2.500 301 R HA 0.649 4.989 4.340 -0.000 0.000 0.277 301 R C 0.478 176.787 176.300 0.016 0.000 1.026 301 R CA -0.686 55.425 56.100 0.019 0.000 1.058 301 R CB 1.039 31.349 30.300 0.018 0.000 1.078 301 R HN 0.257 nan 8.270 nan 0.000 0.509 302 I N 3.759 124.344 120.570 0.025 0.000 2.337 302 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 302 I C -1.983 174.149 176.117 0.024 0.000 1.046 302 I CA -2.104 59.210 61.300 0.023 0.000 1.324 302 I CB 1.050 39.071 38.000 0.035 0.000 1.409 302 I HN 0.221 nan 8.210 nan 0.000 0.494 303 P HA 0.130 nan 4.420 nan 0.000 0.271 303 P C -0.872 176.422 177.300 -0.011 0.000 1.220 303 P CA -0.097 63.000 63.100 -0.004 0.000 0.768 303 P CB 0.816 32.508 31.700 -0.014 0.000 0.848 304 V N 0.144 120.043 119.914 -0.025 0.000 3.078 304 V HA 0.679 4.799 4.120 -0.000 0.000 0.311 304 V C -0.222 175.798 176.094 -0.125 0.000 1.138 304 V CA -1.105 61.162 62.300 -0.055 0.000 1.007 304 V CB 2.066 33.892 31.823 0.005 0.000 1.045 304 V HN 0.520 nan 8.190 nan 0.000 0.432 305 N N 0.564 119.177 118.700 -0.146 0.000 2.452 305 N HA 0.265 5.005 4.740 -0.000 0.000 0.296 305 N C 1.135 176.484 175.510 -0.268 0.000 1.304 305 N CA 0.330 53.285 53.050 -0.159 0.000 0.956 305 N CB -0.327 38.093 38.487 -0.112 0.000 1.106 305 N HN 0.947 nan 8.380 nan 0.000 0.555 306 T N -4.110 110.319 114.554 -0.209 0.000 3.072 306 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 306 T C 1.112 175.672 174.700 -0.232 0.000 1.127 306 T CA 0.659 62.601 62.100 -0.263 0.000 1.107 306 T CB -0.113 68.663 68.868 -0.152 0.000 0.910 306 T HN 0.310 nan 8.240 nan 0.000 0.513 307 R N -0.440 120.000 120.500 -0.100 0.000 2.393 307 R HA 0.502 4.842 4.340 -0.000 0.000 0.244 307 R C -0.164 176.359 176.300 0.371 0.000 0.920 307 R CA -0.845 55.333 56.100 0.130 0.000 1.076 307 R CB -1.035 29.356 30.300 0.152 0.000 1.119 307 R HN 0.414 nan 8.270 nan 0.000 0.524 308 F N -1.014 119.012 119.950 0.128 0.000 2.953 308 F HA -0.313 4.214 4.527 -0.000 0.000 0.292 308 F C -0.124 175.750 175.800 0.124 0.000 0.747 308 F CA 0.570 58.664 58.000 0.157 0.000 1.222 308 F CB -1.721 37.394 39.000 0.191 0.000 1.457 308 F HN 0.141 nan 8.300 nan 0.000 0.383 309 Q N 0.536 120.326 119.800 -0.016 0.000 2.288 309 Q HA 0.425 4.765 4.340 -0.000 0.000 0.254 309 Q C 1.008 176.889 176.000 -0.198 0.000 0.932 309 Q CA 0.284 55.851 55.803 -0.393 0.000 0.902 309 Q CB 1.325 29.794 28.738 -0.449 0.000 1.203 309 Q HN 0.376 nan 8.270 nan 0.000 0.415 310 T N -1.526 112.913 114.554 -0.192 0.000 2.753 310 T HA 0.102 4.452 4.350 -0.000 0.000 0.309 310 T C 1.121 175.751 174.700 -0.116 0.000 1.043 310 T CA -0.551 61.488 62.100 -0.101 0.000 0.964 310 T CB 0.588 69.417 68.868 -0.065 0.000 1.206 310 T HN 0.642 nan 8.240 nan 0.000 0.528 311 K N -0.599 119.755 120.400 -0.077 0.000 2.160 311 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 311 K C 0.453 177.006 176.600 -0.077 0.000 1.047 311 K CA 1.081 57.328 56.287 -0.067 0.000 0.930 311 K CB -0.407 32.065 32.500 -0.045 0.000 0.720 311 K HN 0.589 nan 8.250 nan 0.000 0.450 312 I N 2.687 123.205 120.570 -0.086 0.000 2.291 312 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 312 I C -1.554 174.476 176.117 -0.146 0.000 1.050 312 I CA -1.954 59.295 61.300 -0.086 0.000 1.245 312 I CB 1.452 39.416 38.000 -0.059 0.000 1.405 312 I HN 0.024 nan 8.210 nan 0.000 0.478 313 P HA -0.216 nan 4.420 nan 0.000 0.219 313 P C 0.586 177.712 177.300 -0.290 0.000 1.144 313 P CA 1.529 64.501 63.100 -0.214 0.000 0.806 313 P CB -0.035 31.594 31.700 -0.118 0.000 0.771 314 N N -0.661 117.944 118.700 -0.158 0.000 2.230 314 N HA 0.060 4.800 4.740 -0.000 0.000 0.202 314 N C 0.213 175.733 175.510 0.017 0.000 1.119 314 N CA -0.136 52.901 53.050 -0.021 0.000 0.851 314 N CB 0.089 38.596 38.487 0.033 0.000 0.990 314 N HN 0.209 nan 8.380 nan 0.000 0.497 315 I N 1.386 121.861 120.570 -0.159 0.000 2.389 315 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 315 I C -1.018 175.015 176.117 -0.140 0.000 0.999 315 I CA -0.863 60.420 61.300 -0.028 0.000 1.129 315 I CB 0.958 38.943 38.000 -0.026 0.000 1.288 315 I HN -0.162 nan 8.210 nan 0.000 0.444 316 Y N 4.122 124.429 120.300 0.011 0.000 2.598 316 Y HA 0.824 5.374 4.550 -0.000 0.000 0.340 316 Y C 0.161 176.092 175.900 0.052 0.000 1.038 316 Y CA -1.057 57.070 58.100 0.046 0.000 1.100 316 Y CB 1.993 40.479 38.460 0.044 0.000 1.281 316 Y HN 0.549 nan 8.280 nan 0.000 0.488 317 A N 1.900 124.881 122.820 0.268 0.000 2.486 317 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 317 A C -1.299 176.416 177.584 0.218 0.000 1.048 317 A CA -0.574 51.572 52.037 0.182 0.000 0.696 317 A CB 1.035 20.114 19.000 0.133 0.000 1.278 317 A HN 0.784 nan 8.150 nan 0.000 0.405 318 I N -1.485 119.144 120.570 0.098 0.000 3.195 318 I HA 0.950 5.120 4.170 -0.000 0.000 0.313 318 I C 0.463 176.583 176.117 0.004 0.000 1.237 318 I CA -0.150 61.153 61.300 0.005 0.000 0.963 318 I CB 1.825 39.702 38.000 -0.205 0.000 1.278 318 I HN 2.123 nan 8.210 nan 0.000 0.460 319 G N 2.195 110.983 108.800 -0.020 0.000 2.512 319 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.240 319 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.240 319 G C -0.016 174.891 174.900 0.012 0.000 1.246 319 G CA 0.577 45.669 45.100 -0.013 0.000 0.919 319 G HN 0.848 nan 8.290 nan 0.000 0.577 320 D N 0.354 120.761 120.400 0.012 0.000 2.309 320 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 320 D C 2.592 178.916 176.300 0.041 0.000 0.968 320 D CA 1.672 55.685 54.000 0.020 0.000 0.882 320 D CB -0.158 40.659 40.800 0.028 0.000 0.918 320 D HN 0.988 nan 8.370 nan 0.000 0.503 321 V N -1.821 118.126 119.914 0.054 0.000 3.573 321 V HA 0.088 4.208 4.120 -0.000 0.000 0.270 321 V C 0.892 177.021 176.094 0.058 0.000 1.221 321 V CA 0.097 62.434 62.300 0.062 0.000 1.163 321 V CB -0.925 30.939 31.823 0.068 0.000 0.847 321 V HN -0.015 nan 8.190 nan 0.000 0.468 322 V N -2.970 116.983 119.914 0.064 0.000 3.158 322 V HA 0.986 5.106 4.120 -0.000 0.000 0.315 322 V C 0.501 176.610 176.094 0.026 0.000 1.148 322 V CA -0.871 61.473 62.300 0.074 0.000 1.042 322 V CB 1.046 32.970 31.823 0.167 0.000 1.101 322 V HN 0.513 nan 8.190 nan 0.000 0.448 323 A N 0.327 123.150 122.820 0.005 0.000 2.475 323 A HA 0.694 5.014 4.320 -0.000 0.000 0.239 323 A C 0.958 178.410 177.584 -0.220 0.000 1.087 323 A CA 0.787 52.781 52.037 -0.072 0.000 0.779 323 A CB -0.686 18.280 19.000 -0.057 0.000 1.036 323 A HN 3.013 nan 8.150 nan 0.000 0.506 324 G N -0.126 108.483 108.800 -0.318 0.000 2.525 324 G HA2 0.167 4.127 3.960 -0.000 0.000 0.685 324 G HA3 0.167 4.127 3.960 -0.000 0.000 0.685 324 G C -3.201 171.526 174.900 -0.288 0.000 1.290 324 G CA -0.519 44.234 45.100 -0.578 0.000 0.915 324 G HN 0.823 nan 8.290 nan 0.000 0.548 325 P HA 0.351 nan 4.420 nan 0.000 0.263 325 P C 0.320 177.557 177.300 -0.105 0.000 1.195 325 P CA 0.217 63.251 63.100 -0.109 0.000 0.762 325 P CB 0.323 31.982 31.700 -0.069 0.000 0.799 326 M N 4.111 123.673 119.600 -0.063 0.000 3.237 326 M HA 0.197 4.677 4.480 -0.000 0.000 0.266 326 M C -0.428 175.834 176.300 -0.063 0.000 1.456 326 M CA 0.457 55.728 55.300 -0.049 0.000 1.593 326 M CB -0.614 31.979 32.600 -0.011 0.000 1.129 326 M HN 0.200 nan 8.290 nan 0.000 0.547 327 L N -0.457 120.689 121.223 -0.128 0.000 2.371 327 L HA 0.637 4.977 4.340 -0.000 0.000 0.262 327 L C 1.061 177.801 176.870 -0.216 0.000 1.006 327 L CA -0.629 54.093 54.840 -0.197 0.000 0.818 327 L CB 1.819 43.646 42.059 -0.388 0.000 1.354 327 L HN 0.499 nan 8.230 nan 0.000 0.415 328 A N 0.442 123.182 122.820 -0.134 0.000 1.877 328 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 328 A C 1.971 179.517 177.584 -0.064 0.000 1.186 328 A CA 1.816 53.824 52.037 -0.048 0.000 0.620 328 A CB -0.853 18.176 19.000 0.048 0.000 0.822 328 A HN 0.943 nan 8.150 nan 0.000 0.443 329 H N -1.071 117.999 119.070 -0.000 0.000 2.457 329 H HA -0.007 4.549 4.556 -0.000 0.000 0.294 329 H C 1.722 177.049 175.328 -0.001 0.000 1.064 329 H CA 1.347 57.390 56.048 -0.008 0.000 1.330 329 H CB -0.331 29.427 29.762 -0.007 0.000 1.395 329 H HN 0.435 nan 8.280 nan 0.000 0.541 330 K N 1.904 122.111 120.400 -0.322 0.000 2.025 330 K HA -0.012 4.308 4.320 -0.000 0.000 0.207 330 K C 2.326 178.893 176.600 -0.055 0.000 1.049 330 K CA 1.239 57.459 56.287 -0.112 0.000 0.933 330 K CB -0.362 32.059 32.500 -0.131 0.000 0.714 330 K HN 0.284 nan 8.250 nan 0.000 0.438 331 A N 1.674 124.440 122.820 -0.089 0.000 1.908 331 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 331 A C 2.010 179.528 177.584 -0.109 0.000 1.181 331 A CA 1.830 53.817 52.037 -0.083 0.000 0.627 331 A CB -0.493 18.468 19.000 -0.064 0.000 0.818 331 A HN 0.545 nan 8.150 nan 0.000 0.445 332 E N -0.381 119.762 120.200 -0.095 0.000 2.077 332 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 332 E C 1.583 178.113 176.600 -0.115 0.000 0.989 332 E CA 1.282 57.608 56.400 -0.124 0.000 0.800 332 E CB -0.257 29.383 29.700 -0.101 0.000 0.746 332 E HN 0.584 nan 8.360 nan 0.000 0.452 333 D N 0.675 121.033 120.400 -0.070 0.000 2.117 333 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 333 D C 1.694 177.915 176.300 -0.132 0.000 0.987 333 D CA 0.980 54.943 54.000 -0.061 0.000 0.829 333 D CB -0.018 40.781 40.800 -0.001 0.000 0.961 333 D HN 0.199 nan 8.370 nan 0.000 0.460 334 E N -0.115 119.963 120.200 -0.203 0.000 2.072 334 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 334 E C 2.220 178.526 176.600 -0.491 0.000 0.985 334 E CA 0.939 57.041 56.400 -0.496 0.000 0.801 334 E CB -0.202 29.137 29.700 -0.602 0.000 0.750 334 E HN 0.302 nan 8.360 nan 0.000 0.452 335 G N 1.481 110.098 108.800 -0.304 0.000 2.446 335 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 335 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 335 G C 1.606 176.387 174.900 -0.199 0.000 1.168 335 G CA 0.677 45.632 45.100 -0.242 0.000 0.771 335 G HN 0.106 nan 8.290 nan 0.000 0.551 336 I N 1.602 122.077 120.570 -0.160 0.000 2.142 336 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 336 I C 2.797 178.863 176.117 -0.086 0.000 1.078 336 I CA 1.483 62.720 61.300 -0.104 0.000 1.343 336 I CB -0.295 37.658 38.000 -0.077 0.000 1.046 336 I HN 0.333 nan 8.210 nan 0.000 0.405 337 I N -1.307 119.208 120.570 -0.092 0.000 2.493 337 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 337 I C 2.787 178.887 176.117 -0.029 0.000 1.160 337 I CA 1.282 62.560 61.300 -0.036 0.000 1.445 337 I CB -0.882 37.125 38.000 0.012 0.000 1.086 337 I HN 0.363 nan 8.210 nan 0.000 0.433 338 C N 1.958 121.182 119.300 -0.125 0.000 2.432 338 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 338 C C 2.959 177.853 174.990 -0.160 0.000 1.249 338 C CA 1.337 60.298 59.018 -0.095 0.000 1.725 338 C CB -1.054 26.555 27.740 -0.219 0.000 2.028 338 C HN 0.608 nan 8.230 nan 0.000 0.477 339 V N -0.670 119.147 119.914 -0.160 0.000 2.548 339 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 339 V C 2.206 178.318 176.094 0.029 0.000 1.055 339 V CA 2.212 64.438 62.300 -0.123 0.000 1.065 339 V CB -1.134 30.642 31.823 -0.078 0.000 0.681 339 V HN 0.606 nan 8.190 nan 0.000 0.462 340 E N 1.447 121.658 120.200 0.018 0.000 2.110 340 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 340 E C 2.296 178.930 176.600 0.058 0.000 0.988 340 E CA 1.285 57.712 56.400 0.046 0.000 0.804 340 E CB -0.518 29.196 29.700 0.023 0.000 0.745 340 E HN 0.728 nan 8.360 nan 0.000 0.458 341 G N 0.915 109.740 108.800 0.042 0.000 2.408 341 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 341 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 341 G C 1.529 176.478 174.900 0.082 0.000 1.150 341 G CA 0.491 45.629 45.100 0.064 0.000 0.776 341 G HN 0.103 nan 8.290 nan 0.000 0.542 342 M N 0.835 120.452 119.600 0.027 0.000 2.267 342 M HA 0.001 4.481 4.480 -0.000 0.000 0.263 342 M C 2.486 178.951 176.300 0.276 0.000 1.063 342 M CA 1.224 56.547 55.300 0.039 0.000 1.090 342 M CB -0.016 32.423 32.600 -0.268 0.000 1.392 342 M HN 0.285 nan 8.290 nan 0.000 0.422 343 A N -0.351 122.641 122.820 0.287 0.000 2.370 343 A HA 0.469 4.789 4.320 -0.000 0.000 0.238 343 A C 1.549 179.189 177.584 0.092 0.000 1.289 343 A CA 0.560 52.716 52.037 0.198 0.000 0.885 343 A CB -0.783 18.253 19.000 0.060 0.000 0.961 343 A HN 0.653 nan 8.150 nan 0.000 0.499 344 G N -1.625 107.234 108.800 0.098 0.000 2.199 344 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.254 344 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.254 344 G C 0.814 175.742 174.900 0.045 0.000 0.982 344 G CA 0.283 45.422 45.100 0.065 0.000 0.632 344 G HN 1.419 nan 8.290 nan 0.000 0.529 345 G N 0.145 108.970 108.800 0.042 0.000 2.599 345 G HA2 0.710 4.670 3.960 -0.000 0.000 0.264 345 G HA3 0.710 4.670 3.960 -0.000 0.000 0.264 345 G C 0.659 175.571 174.900 0.021 0.000 1.200 345 G CA 0.495 45.614 45.100 0.032 0.000 0.896 345 G HN 1.528 nan 8.290 nan 0.000 0.536 346 A N -1.024 121.807 122.820 0.019 0.000 2.425 346 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 346 A C -0.157 177.375 177.584 -0.087 0.000 1.077 346 A CA -0.036 51.983 52.037 -0.029 0.000 0.781 346 A CB 0.567 19.611 19.000 0.074 0.000 1.020 346 A HN 0.982 nan 8.150 nan 0.000 0.494 347 V N 4.318 124.064 119.914 -0.280 0.000 2.443 347 V HA 0.443 4.563 4.120 -0.000 0.000 0.293 347 V C -0.812 175.019 176.094 -0.439 0.000 1.021 347 V CA -0.418 61.771 62.300 -0.184 0.000 0.848 347 V CB 1.078 32.888 31.823 -0.021 0.000 0.998 347 V HN 0.941 nan 8.190 nan 0.000 0.424 348 H N 4.933 124.037 119.070 0.057 0.000 2.856 348 H HA 0.649 5.205 4.556 -0.000 0.000 0.355 348 H C -1.102 174.219 175.328 -0.012 0.000 1.079 348 H CA -0.479 55.575 56.048 0.011 0.000 1.240 348 H CB 2.992 32.746 29.762 -0.014 0.000 1.701 348 H HN 0.621 nan 8.280 nan 0.000 0.527 349 I N 2.411 123.008 120.570 0.045 0.000 2.680 349 I HA 0.118 4.288 4.170 -0.000 0.000 0.291 349 I C -1.448 174.492 176.117 -0.296 0.000 1.244 349 I CA -0.528 60.702 61.300 -0.117 0.000 1.042 349 I CB 2.263 40.174 38.000 -0.149 0.000 1.277 349 I HN 0.433 nan 8.210 nan 0.000 0.423 350 D N 6.111 126.370 120.400 -0.236 0.000 2.441 350 D HA 0.241 4.881 4.640 -0.000 0.000 0.231 350 D C 0.123 176.321 176.300 -0.170 0.000 1.073 350 D CA -0.118 53.766 54.000 -0.194 0.000 0.850 350 D CB 0.838 41.597 40.800 -0.068 0.000 1.062 350 D HN 0.378 nan 8.370 nan 0.000 0.524 351 Y N 2.427 122.769 120.300 0.069 0.000 2.483 351 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 351 Y C 2.075 178.010 175.900 0.058 0.000 1.143 351 Y CA 0.668 58.806 58.100 0.063 0.000 1.289 351 Y CB -0.508 37.990 38.460 0.063 0.000 0.983 351 Y HN 0.425 nan 8.280 nan 0.000 0.556 352 N N -0.816 117.978 118.700 0.156 0.000 2.459 352 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 352 N C 0.774 176.338 175.510 0.090 0.000 1.046 352 N CA 0.985 54.107 53.050 0.121 0.000 0.904 352 N CB -0.232 38.308 38.487 0.089 0.000 0.964 352 N HN 0.192 nan 8.380 nan 0.000 0.444 353 C N 0.087 119.428 119.300 0.069 0.000 2.780 353 C HA 0.409 4.869 4.460 -0.000 0.000 0.287 353 C C 0.183 175.207 174.990 0.056 0.000 1.288 353 C CA -0.734 58.313 59.018 0.048 0.000 1.713 353 C CB -0.977 26.780 27.740 0.027 0.000 1.955 353 C HN 0.055 nan 8.230 nan 0.000 0.613 354 V N 4.828 124.799 119.914 0.095 0.000 2.408 354 V HA 0.240 4.360 4.120 -0.000 0.000 0.267 354 V C -1.706 174.426 176.094 0.064 0.000 1.047 354 V CA -0.950 61.426 62.300 0.128 0.000 0.937 354 V CB 0.814 32.751 31.823 0.190 0.000 0.999 354 V HN 0.298 nan 8.190 nan 0.000 0.472 355 P HA 0.274 nan 4.420 nan 0.000 0.274 355 P C -0.547 176.634 177.300 -0.199 0.000 1.237 355 P CA -0.318 62.693 63.100 -0.147 0.000 0.793 355 P CB 1.028 32.603 31.700 -0.209 0.000 0.977 356 S N -0.055 115.275 115.700 -0.618 0.000 2.500 356 S HA 0.564 5.034 4.470 -0.000 0.000 0.301 356 S C -0.520 173.578 174.600 -0.837 0.000 1.092 356 S CA -0.553 57.146 58.200 -0.834 0.000 1.030 356 S CB 1.183 63.375 63.200 -1.680 0.000 1.031 356 S HN 0.229 nan 8.310 nan 0.000 0.483 357 V N 3.764 123.360 119.914 -0.528 0.000 2.841 357 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 357 V C -0.935 174.914 176.094 -0.408 0.000 1.090 357 V CA -0.655 61.325 62.300 -0.535 0.000 0.930 357 V CB 1.978 33.382 31.823 -0.699 0.000 1.014 357 V HN 0.800 nan 8.190 nan 0.000 0.425 358 I N 3.432 123.777 120.570 -0.375 0.000 2.389 358 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 358 I C -0.745 175.234 176.117 -0.230 0.000 0.999 358 I CA -0.463 60.754 61.300 -0.140 0.000 1.129 358 I CB 1.725 39.701 38.000 -0.040 0.000 1.288 358 I HN 0.639 nan 8.210 nan 0.000 0.444 359 Y N 3.875 124.193 120.300 0.030 0.000 2.676 359 Y HA 0.051 4.601 4.550 -0.000 0.000 0.331 359 Y C 1.682 177.612 175.900 0.050 0.000 1.128 359 Y CA -0.525 57.584 58.100 0.015 0.000 1.360 359 Y CB -0.518 37.944 38.460 0.002 0.000 1.176 359 Y HN 0.547 nan 8.280 nan 0.000 0.518 360 T N -2.603 112.069 114.554 0.197 0.000 2.715 360 T HA 0.041 4.391 4.350 -0.000 0.000 0.320 360 T C -0.280 174.510 174.700 0.150 0.000 1.046 360 T CA -0.443 61.797 62.100 0.233 0.000 0.983 360 T CB 0.848 69.943 68.868 0.377 0.000 1.183 360 T HN 0.325 nan 8.240 nan 0.000 0.522 361 H N 1.652 120.775 119.070 0.088 0.000 2.906 361 H HA 0.362 4.918 4.556 -0.000 0.000 0.324 361 H C -2.696 172.692 175.328 0.101 0.000 0.973 361 H CA -1.966 54.076 56.048 -0.010 0.000 1.321 361 H CB 1.746 31.402 29.762 -0.176 0.000 1.535 361 H HN 0.493 nan 8.280 nan 0.000 0.518 362 P HA 0.061 nan 4.420 nan 0.000 0.271 362 P C -0.298 176.902 177.300 -0.167 0.000 1.233 362 P CA -0.152 62.712 63.100 -0.393 0.000 0.789 362 P CB 1.900 33.470 31.700 -0.217 0.000 0.951 363 E N -0.417 119.635 120.200 -0.247 0.000 2.280 363 E HA 0.452 4.802 4.350 -0.000 0.000 0.261 363 E C -0.637 175.811 176.600 -0.252 0.000 1.088 363 E CA -1.043 55.226 56.400 -0.219 0.000 0.915 363 E CB 1.013 30.559 29.700 -0.257 0.000 1.141 363 E HN 0.167 nan 8.360 nan 0.000 0.433 364 V N 0.395 120.129 119.914 -0.300 0.000 2.709 364 V HA 0.749 4.869 4.120 -0.000 0.000 0.308 364 V C -0.736 175.298 176.094 -0.100 0.000 1.062 364 V CA -0.717 61.444 62.300 -0.232 0.000 0.901 364 V CB 1.506 33.070 31.823 -0.432 0.000 1.003 364 V HN 0.789 nan 8.190 nan 0.000 0.425 365 A N 3.957 126.811 122.820 0.056 0.000 2.574 365 A HA 0.993 5.313 4.320 -0.000 0.000 0.297 365 A C -1.718 175.988 177.584 0.204 0.000 1.062 365 A CA -0.609 51.416 52.037 -0.020 0.000 0.686 365 A CB 1.688 20.576 19.000 -0.186 0.000 1.285 365 A HN 1.646 nan 8.150 nan 0.000 0.403 366 W N 0.047 121.264 121.300 -0.139 0.000 3.066 366 W HA 0.752 5.412 4.660 -0.000 0.000 0.330 366 W C -1.973 174.440 176.519 -0.176 0.000 1.253 366 W CA -1.080 56.135 57.345 -0.218 0.000 1.187 366 W CB 1.058 30.387 29.460 -0.219 0.000 1.434 366 W HN 1.092 nan 8.180 nan 0.000 0.572 367 V N 2.410 122.313 119.914 -0.018 0.000 3.120 367 V HA 0.846 4.966 4.120 -0.000 0.000 0.303 367 V C 0.243 176.354 176.094 0.029 0.000 1.238 367 V CA 0.406 62.696 62.300 -0.017 0.000 1.008 367 V CB 1.363 33.152 31.823 -0.057 0.000 1.064 367 V HN 2.267 nan 8.190 nan 0.000 0.434 368 G N 4.921 113.770 108.800 0.082 0.000 2.527 368 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.227 368 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.227 368 G C -0.631 174.352 174.900 0.140 0.000 1.291 368 G CA 0.116 45.268 45.100 0.086 0.000 0.904 368 G HN 0.950 nan 8.290 nan 0.000 0.577 369 K N 0.500 120.971 120.400 0.119 0.000 2.098 369 K HA 0.626 4.946 4.320 -0.000 0.000 0.258 369 K C 0.690 177.401 176.600 0.186 0.000 0.973 369 K CA 0.070 56.427 56.287 0.117 0.000 0.898 369 K CB 1.619 34.136 32.500 0.027 0.000 1.057 369 K HN 0.881 nan 8.250 nan 0.000 0.447 370 S N 0.294 116.026 115.700 0.053 0.000 2.693 370 S HA 0.144 4.614 4.470 -0.000 0.000 0.276 370 S C 0.924 175.367 174.600 -0.261 0.000 1.192 370 S CA -0.701 57.396 58.200 -0.171 0.000 0.994 370 S CB 1.146 64.194 63.200 -0.253 0.000 1.012 370 S HN 0.617 nan 8.310 nan 0.000 0.550 371 E N 0.686 120.680 120.200 -0.344 0.000 2.110 371 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 371 E C 1.676 178.161 176.600 -0.192 0.000 0.988 371 E CA 1.522 57.722 56.400 -0.333 0.000 0.804 371 E CB -0.224 29.388 29.700 -0.146 0.000 0.745 371 E HN 0.704 nan 8.360 nan 0.000 0.458 372 E N 1.007 121.113 120.200 -0.156 0.000 2.110 372 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 372 E C 1.993 178.549 176.600 -0.074 0.000 0.988 372 E CA 0.972 57.315 56.400 -0.096 0.000 0.804 372 E CB -0.093 29.538 29.700 -0.115 0.000 0.745 372 E HN 0.262 nan 8.360 nan 0.000 0.458 373 Q N -0.159 119.587 119.800 -0.091 0.000 2.079 373 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 373 Q C 2.184 178.153 176.000 -0.052 0.000 0.974 373 Q CA 0.891 56.663 55.803 -0.050 0.000 0.840 373 Q CB -0.053 28.668 28.738 -0.029 0.000 0.898 373 Q HN 0.295 nan 8.270 nan 0.000 0.430 374 L N 0.428 121.578 121.223 -0.122 0.000 2.056 374 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 374 L C 2.282 179.166 176.870 0.023 0.000 1.078 374 L CA 1.209 55.981 54.840 -0.113 0.000 0.749 374 L CB -0.344 41.464 42.059 -0.418 0.000 0.901 374 L HN 0.142 nan 8.230 nan 0.000 0.433 375 K N 0.066 120.497 120.400 0.050 0.000 2.026 375 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 375 K C 2.056 178.689 176.600 0.055 0.000 1.048 375 K CA 1.721 58.072 56.287 0.107 0.000 0.929 375 K CB -0.133 32.425 32.500 0.095 0.000 0.713 375 K HN 0.319 nan 8.250 nan 0.000 0.439 376 E N 1.459 121.675 120.200 0.026 0.000 2.110 376 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 376 E C 1.198 177.813 176.600 0.025 0.000 0.988 376 E CA 1.289 57.701 56.400 0.020 0.000 0.804 376 E CB 0.131 29.837 29.700 0.009 0.000 0.745 376 E HN 0.327 nan 8.360 nan 0.000 0.458 377 E N -0.639 119.576 120.200 0.025 0.000 2.481 377 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 377 E C 0.790 177.413 176.600 0.038 0.000 1.047 377 E CA 0.309 56.726 56.400 0.028 0.000 0.867 377 E CB 0.265 29.979 29.700 0.024 0.000 0.858 377 E HN 0.471 nan 8.360 nan 0.000 0.513 378 G N 1.959 110.789 108.800 0.050 0.000 2.225 378 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 378 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 378 G C 0.005 174.949 174.900 0.072 0.000 1.060 378 G CA -0.191 44.944 45.100 0.057 0.000 0.833 378 G HN 0.128 nan 8.290 nan 0.000 0.498 379 I N 0.639 121.272 120.570 0.105 0.000 2.331 379 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 379 I C 0.566 176.815 176.117 0.219 0.000 0.998 379 I CA -1.079 60.299 61.300 0.130 0.000 1.267 379 I CB 1.131 39.195 38.000 0.106 0.000 1.386 379 I HN 0.120 nan 8.210 nan 0.000 0.476 380 E N 7.026 127.309 120.200 0.138 0.000 2.257 380 E HA 0.265 4.615 4.350 -0.000 0.000 0.278 380 E C -1.023 175.671 176.600 0.157 0.000 1.049 380 E CA 0.001 56.451 56.400 0.083 0.000 0.876 380 E CB 0.919 30.632 29.700 0.023 0.000 1.035 380 E HN 0.515 nan 8.360 nan 0.000 0.419 381 Y N 0.028 120.330 120.300 0.003 0.000 2.638 381 Y HA 0.586 5.136 4.550 -0.000 0.000 0.339 381 Y C -0.551 175.350 175.900 0.002 0.000 1.084 381 Y CA -1.479 56.625 58.100 0.007 0.000 1.068 381 Y CB 1.134 39.602 38.460 0.013 0.000 1.294 381 Y HN 0.258 nan 8.280 nan 0.000 0.480 382 K N 0.617 121.118 120.400 0.169 0.000 2.350 382 K HA 0.881 5.201 4.320 -0.000 0.000 0.241 382 K C -1.803 174.908 176.600 0.186 0.000 0.994 382 K CA -1.091 55.236 56.287 0.067 0.000 0.839 382 K CB 2.579 35.099 32.500 0.033 0.000 1.244 382 K HN 0.526 nan 8.250 nan 0.000 0.443 383 V N 0.324 120.306 119.914 0.114 0.000 2.604 383 V HA 0.643 4.763 4.120 -0.000 0.000 0.305 383 V C -0.217 175.925 176.094 0.080 0.000 1.043 383 V CA -0.698 61.679 62.300 0.129 0.000 0.888 383 V CB 1.799 33.698 31.823 0.126 0.000 0.995 383 V HN 0.982 nan 8.190 nan 0.000 0.429 384 G N 3.090 111.936 108.800 0.076 0.000 2.609 384 G HA2 0.716 4.676 3.960 -0.000 0.000 0.308 384 G HA3 0.716 4.676 3.960 -0.000 0.000 0.308 384 G C -1.130 173.812 174.900 0.070 0.000 1.369 384 G CA -0.644 44.495 45.100 0.066 0.000 0.958 384 G HN 0.595 nan 8.290 nan 0.000 0.499 385 K N 0.905 121.362 120.400 0.094 0.000 2.371 385 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 385 K C -1.979 174.697 176.600 0.126 0.000 0.934 385 K CA -0.794 55.542 56.287 0.081 0.000 0.798 385 K CB 2.936 35.470 32.500 0.056 0.000 1.204 385 K HN 0.384 nan 8.250 nan 0.000 0.427 386 F N 4.138 123.998 119.950 -0.152 0.000 2.585 386 F HA 0.348 4.875 4.527 -0.000 0.000 0.319 386 F C -2.565 172.968 175.800 -0.446 0.000 1.165 386 F CA -1.944 55.895 58.000 -0.267 0.000 0.949 386 F CB 1.829 40.690 39.000 -0.232 0.000 1.218 386 F HN 0.308 nan 8.300 nan 0.000 0.453 387 P HA 0.180 nan 4.420 nan 0.000 0.284 387 P C 0.331 177.285 177.300 -0.577 0.000 1.253 387 P CA -0.121 62.539 63.100 -0.732 0.000 0.800 387 P CB 1.042 32.237 31.700 -0.842 0.000 0.961 388 F N 1.683 121.547 119.950 -0.143 0.000 2.451 388 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 388 F C 2.542 178.305 175.800 -0.061 0.000 1.101 388 F CA 1.482 59.465 58.000 -0.028 0.000 1.436 388 F CB -1.120 37.883 39.000 0.005 0.000 1.074 388 F HN 0.358 nan 8.300 nan 0.000 0.553 389 A N -0.210 122.603 122.820 -0.012 0.000 2.019 389 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 389 A C 2.216 179.773 177.584 -0.045 0.000 1.164 389 A CA 1.538 53.563 52.037 -0.021 0.000 0.644 389 A CB -0.890 18.073 19.000 -0.062 0.000 0.805 389 A HN 0.245 nan 8.150 nan 0.000 0.449 390 A N -0.651 122.054 122.820 -0.193 0.000 2.345 390 A HA 0.169 4.489 4.320 -0.000 0.000 0.225 390 A C 0.751 178.446 177.584 0.185 0.000 1.243 390 A CA -0.207 51.772 52.037 -0.097 0.000 0.875 390 A CB -0.340 18.428 19.000 -0.388 0.000 0.929 390 A HN 0.520 nan 8.150 nan 0.000 0.502 391 N N 0.146 118.992 118.700 0.242 0.000 2.455 391 N HA 0.130 4.870 4.740 -0.000 0.000 0.280 391 N C 0.544 176.186 175.510 0.221 0.000 1.055 391 N CA 0.119 53.373 53.050 0.340 0.000 0.961 391 N CB 1.197 39.920 38.487 0.394 0.000 1.121 391 N HN 0.066 nan 8.380 nan 0.000 0.476 392 S N 3.419 119.229 115.700 0.184 0.000 2.359 392 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 392 S C 1.741 176.377 174.600 0.059 0.000 1.035 392 S CA 1.087 59.356 58.200 0.116 0.000 1.018 392 S CB -0.117 63.143 63.200 0.101 0.000 0.876 392 S HN 0.671 nan 8.310 nan 0.000 0.448 393 R N 0.797 121.316 120.500 0.031 0.000 2.075 393 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 393 R C 2.381 178.721 176.300 0.066 0.000 1.126 393 R CA 1.257 57.371 56.100 0.024 0.000 0.963 393 R CB -0.452 29.857 30.300 0.015 0.000 0.858 393 R HN 0.375 nan 8.270 nan 0.000 0.435 394 A N 0.968 123.859 122.820 0.117 0.000 1.902 394 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 394 A C 2.041 179.685 177.584 0.100 0.000 1.181 394 A CA 1.773 53.878 52.037 0.113 0.000 0.623 394 A CB -0.398 18.725 19.000 0.205 0.000 0.818 394 A HN 0.242 nan 8.150 nan 0.000 0.443 395 K N -0.398 120.068 120.400 0.110 0.000 2.097 395 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 395 K C 1.895 178.537 176.600 0.069 0.000 1.050 395 K CA 2.134 58.474 56.287 0.089 0.000 0.938 395 K CB -0.770 31.786 32.500 0.093 0.000 0.718 395 K HN 0.406 nan 8.250 nan 0.000 0.442 396 T N 1.106 115.697 114.554 0.062 0.000 2.867 396 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 396 T C 1.075 175.800 174.700 0.042 0.000 1.057 396 T CA 1.356 63.484 62.100 0.047 0.000 1.136 396 T CB -0.253 68.637 68.868 0.036 0.000 0.874 396 T HN 0.256 nan 8.240 nan 0.000 0.466 397 N N 1.039 119.768 118.700 0.049 0.000 2.467 397 N HA 0.286 5.026 4.740 -0.000 0.000 0.184 397 N C 1.019 176.567 175.510 0.063 0.000 1.106 397 N CA 0.648 53.730 53.050 0.053 0.000 0.892 397 N CB -0.085 38.439 38.487 0.062 0.000 0.969 397 N HN 0.410 nan 8.380 nan 0.000 0.454 398 A N 0.701 123.559 122.820 0.063 0.000 2.846 398 A HA -0.199 4.121 4.320 -0.000 0.000 0.287 398 A C -0.225 177.410 177.584 0.085 0.000 1.469 398 A CA 0.953 53.031 52.037 0.067 0.000 0.757 398 A CB -2.021 17.013 19.000 0.056 0.000 1.033 398 A HN 0.275 nan 8.150 nan 0.000 0.516 399 D N -0.162 120.291 120.400 0.088 0.000 2.405 399 D HA 0.474 5.114 4.640 -0.000 0.000 0.264 399 D C 0.989 177.324 176.300 0.057 0.000 1.240 399 D CA 0.556 54.616 54.000 0.100 0.000 0.893 399 D CB 0.334 41.207 40.800 0.121 0.000 1.198 399 D HN 0.543 nan 8.370 nan 0.000 0.514 400 T N -1.505 113.095 114.554 0.076 0.000 3.085 400 T HA 0.196 4.546 4.350 -0.000 0.000 0.264 400 T C 0.511 175.279 174.700 0.114 0.000 1.019 400 T CA -0.530 61.632 62.100 0.103 0.000 0.910 400 T CB 0.227 69.153 68.868 0.097 0.000 1.059 400 T HN 0.017 nan 8.240 nan 0.000 0.542 401 D N 2.140 122.583 120.400 0.072 0.000 2.390 401 D HA 0.432 5.072 4.640 -0.000 0.000 0.236 401 D C 1.259 177.650 176.300 0.152 0.000 1.189 401 D CA 1.740 55.791 54.000 0.084 0.000 0.887 401 D CB 0.471 41.305 40.800 0.057 0.000 1.198 401 D HN 0.597 nan 8.370 nan 0.000 0.444 402 G N -0.104 108.795 108.800 0.165 0.000 2.693 402 G HA2 0.016 3.976 3.960 -0.000 0.000 0.226 402 G HA3 0.016 3.976 3.960 -0.000 0.000 0.226 402 G C -0.374 174.690 174.900 0.273 0.000 1.354 402 G CA 0.225 45.473 45.100 0.246 0.000 0.873 402 G HN 0.791 nan 8.290 nan 0.000 0.562 403 M N -3.331 116.411 119.600 0.237 0.000 2.833 403 M HA 0.744 5.224 4.480 -0.000 0.000 0.270 403 M C -1.033 175.260 176.300 -0.011 0.000 1.209 403 M CA -1.213 54.045 55.300 -0.071 0.000 0.826 403 M CB 1.750 34.298 32.600 -0.087 0.000 1.657 403 M HN 0.978 nan 8.290 nan 0.000 0.492 404 V N 1.406 121.236 119.914 -0.139 0.000 2.483 404 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 404 V C -0.716 175.410 176.094 0.054 0.000 1.035 404 V CA -0.448 61.868 62.300 0.027 0.000 0.896 404 V CB 1.763 33.597 31.823 0.018 0.000 0.986 404 V HN 0.807 nan 8.190 nan 0.000 0.447 405 K N 4.518 124.990 120.400 0.120 0.000 2.471 405 K HA 0.605 4.925 4.320 -0.000 0.000 0.252 405 K C -1.635 175.056 176.600 0.152 0.000 0.938 405 K CA -0.632 55.721 56.287 0.111 0.000 0.796 405 K CB 1.428 33.983 32.500 0.092 0.000 1.161 405 K HN 0.468 nan 8.250 nan 0.000 0.425 406 I N 5.422 126.049 120.570 0.095 0.000 2.412 406 I HA 0.374 4.544 4.170 -0.000 0.000 0.296 406 I C -0.411 175.767 176.117 0.102 0.000 0.987 406 I CA -0.909 60.441 61.300 0.082 0.000 1.180 406 I CB 1.423 39.410 38.000 -0.021 0.000 1.340 406 I HN 0.619 nan 8.210 nan 0.000 0.455 407 L N 5.083 126.373 121.223 0.111 0.000 2.325 407 L HA 0.737 5.077 4.340 -0.000 0.000 0.281 407 L C 0.291 177.215 176.870 0.090 0.000 1.004 407 L CA -0.413 54.488 54.840 0.101 0.000 0.823 407 L CB 1.966 44.024 42.059 -0.002 0.000 1.236 407 L HN 0.705 nan 8.230 nan 0.000 0.415 408 G N 1.327 110.202 108.800 0.124 0.000 2.519 408 G HA2 0.365 4.325 3.960 -0.000 0.000 0.307 408 G HA3 0.365 4.325 3.960 -0.000 0.000 0.307 408 G C -1.367 173.609 174.900 0.127 0.000 1.266 408 G CA -0.384 44.774 45.100 0.097 0.000 0.970 408 G HN 0.359 nan 8.290 nan 0.000 0.481 409 Q N 0.708 120.565 119.800 0.096 0.000 2.289 409 Q HA 0.064 4.404 4.340 -0.000 0.000 0.273 409 Q C 1.265 177.311 176.000 0.077 0.000 1.029 409 Q CA -0.347 55.514 55.803 0.097 0.000 0.896 409 Q CB 1.522 30.300 28.738 0.068 0.000 1.182 409 Q HN 0.562 nan 8.270 nan 0.000 0.385 410 K N 2.453 122.898 120.400 0.076 0.000 2.077 410 K HA -0.202 4.118 4.320 -0.000 0.000 0.213 410 K C 1.718 178.332 176.600 0.023 0.000 1.051 410 K CA 2.540 58.848 56.287 0.035 0.000 0.929 410 K CB -0.279 32.228 32.500 0.011 0.000 0.715 410 K HN 0.666 nan 8.250 nan 0.000 0.451 411 S N -1.977 113.738 115.700 0.025 0.000 2.421 411 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 411 S C 1.894 176.507 174.600 0.022 0.000 1.035 411 S CA 1.004 59.215 58.200 0.018 0.000 0.953 411 S CB -0.459 62.750 63.200 0.016 0.000 0.810 411 S HN 0.446 nan 8.310 nan 0.000 0.497 412 T N -2.129 112.442 114.554 0.029 0.000 3.065 412 T HA 0.183 4.533 4.350 -0.000 0.000 0.252 412 T C 0.604 175.323 174.700 0.032 0.000 1.099 412 T CA 0.752 62.869 62.100 0.028 0.000 1.063 412 T CB -0.440 68.445 68.868 0.029 0.000 0.948 412 T HN 0.320 nan 8.240 nan 0.000 0.506 413 D N 0.576 120.998 120.400 0.036 0.000 3.079 413 D HA -0.187 4.453 4.640 -0.000 0.000 0.214 413 D C 0.161 176.485 176.300 0.040 0.000 1.145 413 D CA 0.668 54.690 54.000 0.037 0.000 0.958 413 D CB -1.473 39.346 40.800 0.033 0.000 1.117 413 D HN 0.690 nan 8.370 nan 0.000 0.416 414 R N -0.078 120.448 120.500 0.043 0.000 2.489 414 R HA 0.376 4.716 4.340 -0.000 0.000 0.287 414 R C -0.209 176.121 176.300 0.050 0.000 1.053 414 R CA -0.359 55.768 56.100 0.046 0.000 1.036 414 R CB 0.708 31.034 30.300 0.043 0.000 0.966 414 R HN -0.013 nan 8.270 nan 0.000 0.432 415 V N 7.464 127.409 119.914 0.052 0.000 2.529 415 V HA -0.022 4.098 4.120 -0.000 0.000 0.292 415 V C 1.173 177.303 176.094 0.060 0.000 1.028 415 V CA 0.360 62.694 62.300 0.055 0.000 1.074 415 V CB 0.864 32.726 31.823 0.065 0.000 0.958 415 V HN 0.829 nan 8.190 nan 0.000 0.481 416 L N 3.817 125.074 121.223 0.057 0.000 2.537 416 L HA 0.501 4.841 4.340 -0.000 0.000 0.224 416 L C 1.005 177.907 176.870 0.053 0.000 1.065 416 L CA 0.637 55.505 54.840 0.046 0.000 0.860 416 L CB 0.393 42.466 42.059 0.024 0.000 1.086 416 L HN 0.794 nan 8.230 nan 0.000 0.482 417 G N -0.128 108.713 108.800 0.068 0.000 2.732 417 G HA2 0.671 4.631 3.960 -0.000 0.000 0.296 417 G HA3 0.671 4.631 3.960 -0.000 0.000 0.296 417 G C -1.975 172.961 174.900 0.059 0.000 1.448 417 G CA -0.032 45.110 45.100 0.070 0.000 0.911 417 G HN -0.013 nan 8.290 nan 0.000 0.528 418 A N 1.785 124.547 122.820 -0.097 0.000 2.381 418 A HA 0.851 5.171 4.320 -0.000 0.000 0.299 418 A C -1.081 176.344 177.584 -0.264 0.000 1.049 418 A CA -0.703 51.343 52.037 0.016 0.000 0.715 418 A CB 1.230 20.365 19.000 0.224 0.000 1.222 418 A HN 0.752 nan 8.150 nan 0.000 0.428 419 H N 1.937 121.109 119.070 0.169 0.000 2.667 419 H HA 0.554 5.110 4.556 -0.000 0.000 0.353 419 H C -1.347 174.068 175.328 0.145 0.000 1.072 419 H CA -0.289 55.852 56.048 0.155 0.000 1.214 419 H CB 1.877 31.659 29.762 0.034 0.000 1.600 419 H HN 0.555 nan 8.280 nan 0.000 0.527 420 I N 3.666 124.371 120.570 0.225 0.000 2.498 420 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 420 I C -0.956 175.258 176.117 0.162 0.000 1.032 420 I CA -0.771 60.658 61.300 0.214 0.000 1.073 420 I CB 2.480 40.592 38.000 0.186 0.000 1.251 420 I HN 0.199 nan 8.210 nan 0.000 0.426 421 L N 6.504 127.852 121.223 0.210 0.000 2.372 421 L HA 0.984 5.324 4.340 -0.000 0.000 0.273 421 L C -0.184 176.786 176.870 0.167 0.000 0.989 421 L CA 0.356 55.258 54.840 0.103 0.000 0.841 421 L CB 1.008 43.118 42.059 0.085 0.000 1.225 421 L HN 0.818 nan 8.230 nan 0.000 0.414 422 G N 4.289 113.046 108.800 -0.072 0.000 2.350 422 G HA2 0.163 4.123 3.960 -0.000 0.000 0.282 422 G HA3 0.163 4.123 3.960 -0.000 0.000 0.282 422 G C -3.384 171.180 174.900 -0.561 0.000 1.314 422 G CA -0.559 44.327 45.100 -0.357 0.000 0.915 422 G HN 0.460 nan 8.290 nan 0.000 0.499 423 P HA 0.359 nan 4.420 nan 0.000 0.271 423 P C 0.981 178.028 177.300 -0.422 0.000 1.216 423 P CA 1.727 64.509 63.100 -0.530 0.000 0.771 423 P CB 0.930 32.382 31.700 -0.415 0.000 0.864 424 G N 2.601 111.261 108.800 -0.232 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 1.080 175.905 174.900 -0.124 0.000 0.997 424 G CA 0.448 45.466 45.100 -0.136 0.000 0.708 424 G HN 0.705 nan 8.290 nan 0.000 0.520 425 A N 0.041 122.763 122.820 -0.162 0.000 1.883 425 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 425 A C 2.851 180.338 177.584 -0.163 0.000 1.186 425 A CA 2.296 54.260 52.037 -0.122 0.000 0.624 425 A CB -1.036 17.886 19.000 -0.130 0.000 0.822 425 A HN 1.634 nan 8.150 nan 0.000 0.444 426 G N -0.537 108.130 108.800 -0.222 0.000 2.442 426 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 426 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 426 G C 1.408 176.220 174.900 -0.147 0.000 1.141 426 G CA 1.113 46.064 45.100 -0.248 0.000 0.763 426 G HN 0.525 nan 8.290 nan 0.000 0.554 427 E N -0.185 119.955 120.200 -0.100 0.000 2.076 427 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 427 E C 2.370 178.898 176.600 -0.119 0.000 0.979 427 E CA 0.353 56.703 56.400 -0.083 0.000 0.807 427 E CB -0.432 29.239 29.700 -0.049 0.000 0.761 427 E HN 0.485 nan 8.360 nan 0.000 0.454 428 M N 0.843 120.368 119.600 -0.125 0.000 2.213 428 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 428 M C 2.203 178.327 176.300 -0.294 0.000 1.062 428 M CA 0.912 56.102 55.300 -0.182 0.000 1.105 428 M CB 0.028 32.564 32.600 -0.106 0.000 1.385 428 M HN -0.048 nan 8.290 nan 0.000 0.417 429 V N 1.403 121.180 119.914 -0.228 0.000 2.720 429 V HA -0.256 3.864 4.120 -0.000 0.000 0.256 429 V C 1.713 177.673 176.094 -0.223 0.000 1.082 429 V CA 1.777 63.938 62.300 -0.231 0.000 1.101 429 V CB -0.798 30.905 31.823 -0.199 0.000 0.693 429 V HN 0.571 nan 8.190 nan 0.000 0.479 430 N N 0.057 118.636 118.700 -0.202 0.000 2.270 430 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 430 N C 1.801 177.219 175.510 -0.154 0.000 1.016 430 N CA 1.504 54.459 53.050 -0.158 0.000 0.870 430 N CB -0.140 38.268 38.487 -0.132 0.000 0.979 430 N HN 0.719 nan 8.380 nan 0.000 0.431 431 E N 1.124 121.191 120.200 -0.222 0.000 2.150 431 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 431 E C 1.772 178.258 176.600 -0.190 0.000 0.985 431 E CA 0.849 57.125 56.400 -0.207 0.000 0.814 431 E CB 0.060 29.592 29.700 -0.279 0.000 0.752 431 E HN 0.276 nan 8.360 nan 0.000 0.466 432 A N 1.123 123.747 122.820 -0.327 0.000 1.930 432 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 432 A C 2.376 179.964 177.584 0.006 0.000 1.175 432 A CA 1.452 53.427 52.037 -0.103 0.000 0.627 432 A CB -0.608 18.310 19.000 -0.135 0.000 0.815 432 A HN 0.406 nan 8.150 nan 0.000 0.443 433 A N -0.381 122.409 122.820 -0.049 0.000 1.930 433 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 433 A C 2.105 179.706 177.584 0.029 0.000 1.175 433 A CA 1.679 53.709 52.037 -0.012 0.000 0.627 433 A CB -0.579 18.396 19.000 -0.042 0.000 0.815 433 A HN 0.665 nan 8.150 nan 0.000 0.443 434 L N -0.107 121.129 121.223 0.020 0.000 2.017 434 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 434 L C 2.650 179.594 176.870 0.123 0.000 1.073 434 L CA 2.244 57.121 54.840 0.063 0.000 0.745 434 L CB -0.972 41.096 42.059 0.014 0.000 0.894 434 L HN 0.340 nan 8.230 nan 0.000 0.432 435 A N -0.352 122.538 122.820 0.117 0.000 1.883 435 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 435 A C 2.313 179.993 177.584 0.161 0.000 1.186 435 A CA 2.155 54.290 52.037 0.162 0.000 0.624 435 A CB -1.026 18.110 19.000 0.227 0.000 0.822 435 A HN 0.512 nan 8.150 nan 0.000 0.444 436 L N -0.848 120.450 121.223 0.126 0.000 2.042 436 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 436 L C 2.713 179.633 176.870 0.082 0.000 1.076 436 L CA 1.898 56.795 54.840 0.095 0.000 0.749 436 L CB -0.541 41.560 42.059 0.070 0.000 0.893 436 L HN 0.574 nan 8.230 nan 0.000 0.432 437 E N 0.054 120.310 120.200 0.092 0.000 2.118 437 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 437 E C 1.813 178.425 176.600 0.020 0.000 0.992 437 E CA 1.708 58.144 56.400 0.060 0.000 0.804 437 E CB -0.331 29.425 29.700 0.094 0.000 0.741 437 E HN 0.454 nan 8.360 nan 0.000 0.458 438 Y N -0.401 119.906 120.300 0.011 0.000 2.529 438 Y HA 0.226 4.776 4.550 -0.000 0.000 0.290 438 Y C 1.320 177.228 175.900 0.013 0.000 1.177 438 Y CA 0.848 58.955 58.100 0.010 0.000 1.305 438 Y CB 0.407 38.877 38.460 0.016 0.000 1.047 438 Y HN 0.238 nan 8.280 nan 0.000 0.522 439 G N 0.556 109.409 108.800 0.087 0.000 2.246 439 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.273 439 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.273 439 G C 0.347 175.303 174.900 0.092 0.000 1.055 439 G CA -0.000 45.135 45.100 0.060 0.000 0.851 439 G HN 0.647 nan 8.290 nan 0.000 0.500 440 A N -0.140 122.755 122.820 0.125 0.000 2.466 440 A HA 0.672 4.992 4.320 -0.000 0.000 0.238 440 A C 1.118 178.747 177.584 0.074 0.000 1.074 440 A CA 0.967 53.070 52.037 0.110 0.000 0.774 440 A CB 0.330 19.403 19.000 0.120 0.000 1.015 440 A HN 2.108 nan 8.150 nan 0.000 0.498 441 S N 0.270 116.005 115.700 0.059 0.000 2.654 441 S HA 0.298 4.768 4.470 -0.000 0.000 0.283 441 S C 1.008 175.622 174.600 0.023 0.000 1.180 441 S CA -0.202 58.023 58.200 0.041 0.000 1.021 441 S CB 0.862 64.084 63.200 0.038 0.000 1.018 441 S HN 0.710 nan 8.310 nan 0.000 0.532 442 C N 0.869 120.174 119.300 0.009 0.000 2.413 442 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 442 C C 2.695 177.667 174.990 -0.030 0.000 1.265 442 C CA 1.219 60.221 59.018 -0.028 0.000 1.752 442 C CB -1.546 26.183 27.740 -0.017 0.000 1.998 442 C HN 1.098 nan 8.230 nan 0.000 0.489 443 E N 0.918 121.119 120.200 0.002 0.000 2.077 443 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 443 E C 1.490 178.091 176.600 0.002 0.000 0.989 443 E CA 1.395 57.798 56.400 0.005 0.000 0.800 443 E CB -0.126 29.589 29.700 0.025 0.000 0.746 443 E HN 0.536 nan 8.360 nan 0.000 0.452 444 D N 0.619 121.028 120.400 0.015 0.000 2.106 444 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 444 D C 2.052 178.369 176.300 0.027 0.000 0.997 444 D CA 1.362 55.377 54.000 0.024 0.000 0.834 444 D CB -0.335 40.489 40.800 0.041 0.000 0.956 444 D HN 0.321 nan 8.370 nan 0.000 0.448 445 I N 1.126 121.708 120.570 0.021 0.000 2.179 445 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 445 I C 2.491 178.613 176.117 0.008 0.000 1.088 445 I CA 1.148 62.472 61.300 0.040 0.000 1.357 445 I CB -0.303 37.664 38.000 -0.055 0.000 1.051 445 I HN -0.075 nan 8.210 nan 0.000 0.409 446 A N 0.651 123.430 122.820 -0.069 0.000 2.024 446 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 446 A C 2.316 179.873 177.584 -0.044 0.000 1.164 446 A CA 1.452 53.431 52.037 -0.097 0.000 0.643 446 A CB -0.516 18.428 19.000 -0.094 0.000 0.806 446 A HN 0.380 nan 8.150 nan 0.000 0.451 447 R N -0.911 119.584 120.500 -0.007 0.000 2.300 447 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 447 R C -0.297 176.024 176.300 0.035 0.000 0.920 447 R CA -0.113 55.988 56.100 0.002 0.000 1.046 447 R CB 0.123 30.420 30.300 -0.005 0.000 0.984 447 R HN 0.313 nan 8.270 nan 0.000 0.493 448 V N 1.276 121.242 119.914 0.085 0.000 2.555 448 V HA -0.039 4.081 4.120 -0.000 0.000 0.286 448 V C 0.537 176.729 176.094 0.164 0.000 1.044 448 V CA -0.637 61.718 62.300 0.091 0.000 1.026 448 V CB 1.314 33.191 31.823 0.091 0.000 0.981 448 V HN 0.297 nan 8.190 nan 0.000 0.480 449 C N 7.120 126.456 119.300 0.061 0.000 2.610 449 C HA 0.299 4.759 4.460 -0.000 0.000 0.382 449 C C 0.433 175.454 174.990 0.051 0.000 1.287 449 C CA -0.430 58.630 59.018 0.071 0.000 1.640 449 C CB -1.908 25.844 27.740 0.020 0.000 2.335 449 C HN 0.888 nan 8.230 nan 0.000 0.577 450 H N 3.472 122.550 119.070 0.014 0.000 2.502 450 H HA 0.512 5.068 4.556 -0.000 0.000 0.327 450 H C 0.619 175.971 175.328 0.040 0.000 1.099 450 H CA 0.581 56.646 56.048 0.028 0.000 1.323 450 H CB 1.192 30.975 29.762 0.035 0.000 1.450 450 H HN 0.870 nan 8.280 nan 0.000 0.502 451 A N 2.523 125.413 122.820 0.116 0.000 2.511 451 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 451 A C -0.357 177.301 177.584 0.124 0.000 1.069 451 A CA 0.125 52.219 52.037 0.095 0.000 0.763 451 A CB -0.361 18.667 19.000 0.046 0.000 1.001 451 A HN 0.886 nan 8.150 nan 0.000 0.498 452 H N 2.730 121.829 119.070 0.047 0.000 2.466 452 H HA 0.627 5.183 4.556 -0.000 0.000 0.338 452 H C -2.379 172.973 175.328 0.040 0.000 1.091 452 H CA -1.532 54.543 56.048 0.045 0.000 1.207 452 H CB 1.278 31.060 29.762 0.034 0.000 1.466 452 H HN 0.550 nan 8.280 nan 0.000 0.493 453 P HA 0.287 nan 4.420 nan 0.000 0.304 453 P C -1.376 175.808 177.300 -0.193 0.000 1.360 453 P CA -0.635 62.076 63.100 -0.649 0.000 0.869 453 P CB 1.734 33.042 31.700 -0.652 0.000 0.988 454 T N -0.984 113.519 114.554 -0.085 0.000 2.900 454 T HA 0.372 4.722 4.350 -0.000 0.000 0.303 454 T C 1.134 175.883 174.700 0.081 0.000 1.142 454 T CA -0.906 61.203 62.100 0.016 0.000 1.007 454 T CB 0.943 69.842 68.868 0.051 0.000 1.156 454 T HN 0.106 nan 8.240 nan 0.000 0.490 455 L N 1.505 122.799 121.223 0.118 0.000 2.191 455 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 455 L C 3.034 180.059 176.870 0.258 0.000 1.103 455 L CA 1.493 56.475 54.840 0.238 0.000 0.769 455 L CB -0.658 41.504 42.059 0.172 0.000 0.908 455 L HN 0.954 nan 8.230 nan 0.000 0.438 456 S N -0.373 115.437 115.700 0.182 0.000 2.440 456 S HA -0.214 4.256 4.470 -0.000 0.000 0.238 456 S C 1.640 176.330 174.600 0.149 0.000 1.010 456 S CA 1.167 59.497 58.200 0.218 0.000 0.972 456 S CB -0.359 63.008 63.200 0.279 0.000 0.774 456 S HN 0.523 nan 8.310 nan 0.000 0.501 457 E N 1.475 121.711 120.200 0.059 0.000 2.204 457 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 457 E C 2.353 178.775 176.600 -0.297 0.000 0.990 457 E CA 0.915 57.239 56.400 -0.127 0.000 0.821 457 E CB -0.409 29.261 29.700 -0.051 0.000 0.750 457 E HN 0.780 nan 8.360 nan 0.000 0.477 458 A N 0.988 123.704 122.820 -0.173 0.000 1.930 458 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 458 A C 1.919 179.361 177.584 -0.237 0.000 1.175 458 A CA 0.894 52.739 52.037 -0.320 0.000 0.627 458 A CB -0.593 18.232 19.000 -0.291 0.000 0.815 458 A HN 0.332 nan 8.150 nan 0.000 0.443 459 F N 0.611 120.436 119.950 -0.208 0.000 2.134 459 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 459 F C 2.320 177.978 175.800 -0.236 0.000 1.097 459 F CA 1.917 59.829 58.000 -0.146 0.000 1.264 459 F CB -0.300 38.675 39.000 -0.040 0.000 1.001 459 F HN 0.206 nan 8.300 nan 0.000 0.479 460 R N 0.416 120.661 120.500 -0.425 0.000 2.080 460 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 460 R C 2.225 178.246 176.300 -0.465 0.000 1.137 460 R CA 1.912 57.656 56.100 -0.593 0.000 0.943 460 R CB -0.439 29.377 30.300 -0.806 0.000 0.846 460 R HN 0.298 nan 8.270 nan 0.000 0.431 461 E N 0.078 119.961 120.200 -0.528 0.000 2.110 461 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 461 E C 1.872 178.307 176.600 -0.274 0.000 0.988 461 E CA 1.229 57.313 56.400 -0.527 0.000 0.804 461 E CB -0.135 28.805 29.700 -1.266 0.000 0.745 461 E HN 0.473 nan 8.360 nan 0.000 0.458 462 A N 1.780 124.451 122.820 -0.248 0.000 1.930 462 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 462 A C 1.958 179.460 177.584 -0.137 0.000 1.175 462 A CA 1.179 53.165 52.037 -0.086 0.000 0.627 462 A CB -0.384 18.574 19.000 -0.070 0.000 0.815 462 A HN 0.156 nan 8.150 nan 0.000 0.443 463 N N -0.365 118.164 118.700 -0.285 0.000 2.188 463 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 463 N C 1.675 177.111 175.510 -0.124 0.000 1.018 463 N CA 1.397 54.299 53.050 -0.248 0.000 0.858 463 N CB -0.283 37.970 38.487 -0.391 0.000 0.989 463 N HN 0.409 nan 8.380 nan 0.000 0.426 464 L N 1.579 122.724 121.223 -0.129 0.000 2.046 464 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 464 L C 2.201 179.105 176.870 0.056 0.000 1.077 464 L CA 1.545 56.357 54.840 -0.046 0.000 0.747 464 L CB -0.868 41.139 42.059 -0.086 0.000 0.896 464 L HN 0.063 nan 8.230 nan 0.000 0.432 465 A N -0.504 122.348 122.820 0.054 0.000 1.877 465 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 465 A C 2.448 180.079 177.584 0.078 0.000 1.186 465 A CA 1.872 53.973 52.037 0.107 0.000 0.620 465 A CB -1.211 17.867 19.000 0.131 0.000 0.822 465 A HN 0.570 nan 8.150 nan 0.000 0.443 466 A N -1.187 121.659 122.820 0.043 0.000 1.933 466 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 466 A C 2.453 180.061 177.584 0.040 0.000 1.175 466 A CA 2.150 54.210 52.037 0.038 0.000 0.628 466 A CB -0.739 18.276 19.000 0.025 0.000 0.814 466 A HN 0.510 nan 8.150 nan 0.000 0.444 467 S N -1.957 113.773 115.700 0.049 0.000 2.336 467 S HA -0.021 4.449 4.470 -0.000 0.000 0.216 467 S C 1.638 176.308 174.600 0.117 0.000 1.032 467 S CA 1.294 59.535 58.200 0.068 0.000 0.973 467 S CB -0.362 62.874 63.200 0.060 0.000 0.888 467 S HN 0.580 nan 8.310 nan 0.000 0.455 468 F N 0.813 120.754 119.950 -0.015 0.000 2.569 468 F HA 0.332 4.859 4.527 -0.000 0.000 0.295 468 F C 1.536 177.332 175.800 -0.006 0.000 1.115 468 F CA 1.227 59.220 58.000 -0.011 0.000 1.450 468 F CB 0.261 39.253 39.000 -0.013 0.000 1.107 468 F HN 0.423 nan 8.300 nan 0.000 0.563 469 G N 0.765 109.585 108.800 0.033 0.000 2.284 469 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 469 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 469 G C 0.284 175.214 174.900 0.050 0.000 1.009 469 G CA 0.043 45.111 45.100 -0.053 0.000 0.625 469 G HN 0.394 nan 8.290 nan 0.000 0.501 470 K N 0.338 120.869 120.400 0.218 0.000 2.477 470 K HA 0.711 5.031 4.320 -0.000 0.000 0.255 470 K C -0.551 176.201 176.600 0.254 0.000 0.952 470 K CA -0.541 55.882 56.287 0.228 0.000 0.826 470 K CB 2.144 34.783 32.500 0.232 0.000 1.331 470 K HN 0.126 nan 8.250 nan 0.000 0.437 471 S N 0.917 116.746 115.700 0.215 0.000 2.730 471 S HA 0.338 4.808 4.470 -0.000 0.000 0.284 471 S C 1.135 175.832 174.600 0.160 0.000 1.153 471 S CA -0.704 57.617 58.200 0.201 0.000 0.995 471 S CB 0.598 64.048 63.200 0.417 0.000 1.058 471 S HN 0.430 nan 8.310 nan 0.000 0.552 472 I N 1.447 122.082 120.570 0.108 0.000 2.429 472 I HA 0.035 4.205 4.170 -0.000 0.000 0.247 472 I C 1.250 177.462 176.117 0.158 0.000 1.099 472 I CA 1.081 62.428 61.300 0.078 0.000 1.422 472 I CB -0.889 37.113 38.000 0.003 0.000 1.112 472 I HN 0.528 nan 8.210 nan 0.000 0.430 473 N N -0.212 118.660 118.700 0.286 0.000 2.268 473 N HA 0.084 4.824 4.740 -0.000 0.000 0.204 473 N C -0.238 175.545 175.510 0.456 0.000 1.124 473 N CA 0.168 53.440 53.050 0.369 0.000 0.838 473 N CB 0.915 39.652 38.487 0.417 0.000 0.994 473 N HN 0.144 nan 8.380 nan 0.000 0.489 474 F N 0.000 120.074 119.950 0.207 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.008 58.000 0.014 0.000 1.383 474 F CB 0.000 38.847 39.000 -0.256 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574