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 1q55_1_C DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.066 0.000 0.688 2 W N 2.190 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 -0.000 0.000 0.342 2 W C 0.756 177.265 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.601 30.052 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.835 121.881 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 3 V C -0.004 176.157 176.094 0.111 0.000 1.088 3 V CA -0.395 61.982 62.300 0.127 0.000 0.686 3 V CB 0.315 32.178 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.882 121.489 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 4 I C -2.733 173.399 176.117 0.025 0.000 1.123 4 I CA -2.016 59.304 61.300 0.034 0.000 1.059 4 I CB 1.864 39.866 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.231 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.477 62.639 63.100 0.026 0.000 0.770 5 P CB -0.395 31.323 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.772 177.300 0.011 0.000 1.215 6 P CA 0.231 63.336 63.100 0.009 0.000 0.780 6 P CB 0.372 32.082 31.700 0.016 0.000 0.898 7 I N 1.910 122.483 120.570 0.006 0.000 2.354 7 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 7 I C 0.046 176.179 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.014 0.000 1.167 7 I CB 1.075 39.079 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.797 126.217 120.400 0.034 0.000 2.350 8 K HA 0.551 4.871 4.320 -0.000 0.000 0.279 8 K C -0.612 176.018 176.600 0.051 0.000 1.027 8 K CA -0.453 55.860 56.287 0.043 0.000 0.969 8 K CB 0.767 33.289 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.994 120.945 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 9 V C -0.215 175.921 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.119 33.999 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.168 117.906 115.700 0.063 0.000 2.614 10 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.968 64.195 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.207 121.446 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 11 E C -0.632 176.005 176.600 0.061 0.000 1.008 11 E CA -0.394 56.047 56.400 0.068 0.000 0.856 11 E CB 0.236 29.976 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.771 120.508 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 12 N C -0.751 174.804 175.510 0.074 0.000 1.031 12 N CA 0.577 53.662 53.050 0.058 0.000 0.720 12 N CB -0.727 37.787 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.416 4.766 4.350 -0.000 0.000 0.260 13 E C 0.069 176.777 176.600 0.180 0.000 1.101 13 E CA -0.328 56.149 56.400 0.128 0.000 0.907 13 E CB 0.670 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.197 121.758 120.500 0.102 0.000 2.725 14 R HA 0.445 4.785 4.340 -0.000 0.000 0.276 14 R C -1.126 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.471 56.100 0.090 0.000 1.083 14 R CB 1.075 31.426 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.555 108.800 -0.214 0.000 2.604 15 G HA2 0.443 4.403 3.960 -0.000 0.000 0.242 15 G HA3 0.443 4.403 3.960 -0.000 0.000 0.242 15 G C -2.808 171.871 174.900 -0.368 0.000 1.208 15 G CA -0.570 44.371 45.100 -0.265 0.000 0.912 15 G HN 0.450 nan 8.290 nan 0.000 0.502 16 P HA 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.352 175.676 177.300 -0.454 0.000 1.313 16 P CA -0.140 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.032 32.624 31.700 -0.179 0.000 0.910 17 F N 3.769 123.690 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.009 174.757 175.800 -0.058 0.000 1.094 17 F CA -1.410 56.555 58.000 -0.057 0.000 1.093 17 F CB 0.018 38.983 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.267 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.737 177.300 -0.050 0.000 1.293 18 P CA -0.361 62.793 63.100 0.090 0.000 0.770 18 P CB 0.543 32.268 31.700 0.041 0.000 1.206 19 K N 0.210 120.614 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.844 175.743 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.173 33.654 32.500 -0.031 0.000 1.208 19 K HN 0.183 nan 8.250 nan 0.000 0.443 20 R N 3.482 123.918 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 -0.000 0.000 0.291 20 R C 0.370 176.687 176.300 0.028 0.000 1.069 20 R CA -0.096 55.945 56.100 -0.097 0.000 1.022 20 R CB 0.548 30.593 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.949 124.256 121.223 0.141 0.000 2.379 21 L HA 0.265 4.605 4.340 -0.000 0.000 0.190 21 L C 0.318 177.307 176.870 0.199 0.000 1.111 21 L CA 0.848 55.773 54.840 0.142 0.000 0.820 21 L CB 0.134 42.275 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.547 118.525 119.914 0.264 0.000 3.258 22 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.264 122.831 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 23 Q C -1.248 174.412 176.000 -0.567 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.920 29.500 28.738 -1.930 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.038 120.281 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 -0.000 0.000 0.300 24 I C -1.327 174.447 176.117 -0.572 0.000 1.017 24 I CA -0.916 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.029 39.816 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.586 123.776 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 25 K C -1.268 175.326 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.698 56.287 -0.218 0.000 0.791 25 K CB 2.252 34.652 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.588 117.408 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 26 S C 0.688 175.355 174.600 0.112 0.000 1.192 26 S CA -0.639 57.666 58.200 0.176 0.000 1.070 26 S CB 0.472 63.814 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.902 121.641 118.700 0.066 0.000 2.299 27 N HA 0.096 4.836 4.740 -0.000 0.000 0.187 27 N C 0.893 176.438 175.510 0.058 0.000 1.099 27 N CA -0.216 52.862 53.050 0.047 0.000 0.867 27 N CB 0.012 38.514 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 28 K C -0.002 176.657 176.600 0.098 0.000 1.024 28 K CA 0.382 56.713 56.287 0.073 0.000 1.157 28 K CB 0.033 32.569 32.500 0.061 0.000 0.899 28 K HN 0.448 nan 8.250 nan 0.000 0.501 29 D N -1.528 118.927 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.551 177.905 176.300 0.090 0.000 1.050 29 D CA -0.073 53.983 54.000 0.094 0.000 0.856 29 D CB 0.184 41.032 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.582 119.976 120.500 0.097 0.000 2.127 30 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 30 R C 1.354 177.718 176.300 0.106 0.000 1.134 30 R CA 1.110 57.260 56.100 0.084 0.000 0.975 30 R CB -0.324 30.029 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.068 120.026 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.868 176.677 175.800 0.014 0.000 1.093 31 F CA 0.917 58.924 58.000 0.012 0.000 1.263 31 F CB 0.069 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.553 118.205 118.700 0.096 0.000 3.343 32 N HA 0.223 4.963 4.740 -0.000 0.000 0.330 32 N C -1.752 173.778 175.510 0.033 0.000 1.560 32 N CA -0.794 52.224 53.050 -0.054 0.000 0.752 32 N CB 1.184 39.774 38.487 0.171 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.479 120.903 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.119 175.525 176.600 0.074 0.000 1.027 33 K CA -0.505 55.821 56.287 0.065 0.000 0.932 33 K CB 0.651 33.211 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.678 124.601 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 34 V C -0.965 175.027 176.094 -0.170 0.000 1.035 34 V CA -0.766 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.092 32.754 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.798 124.961 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 35 Y C -0.574 175.236 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.356 58.100 -0.071 0.000 1.186 35 Y CB 0.710 39.191 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.535 124.802 120.300 -0.055 0.000 2.336 36 Y HA 0.377 4.927 4.550 -0.000 0.000 0.335 36 Y C 0.711 176.595 175.900 -0.027 0.000 1.046 36 Y CA -0.047 58.046 58.100 -0.011 0.000 1.198 36 Y CB 0.943 39.378 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.060 119.929 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.120 173.637 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.435 65.847 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.665 121.387 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.728 174.508 176.117 0.198 0.000 1.538 38 I CA -0.223 61.184 61.300 0.179 0.000 1.010 38 I CB 1.998 40.054 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.431 117.090 114.554 0.175 0.000 2.906 39 T HA 1.003 5.353 4.350 -0.000 0.000 0.295 39 T C -0.264 174.499 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.020 71.033 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.542 109.398 108.800 0.093 0.000 2.346 40 G HA2 0.216 4.176 3.960 -0.000 0.000 0.294 40 G HA3 0.216 4.176 3.960 -0.000 0.000 0.294 40 G C -1.611 173.330 174.900 0.068 0.000 1.294 40 G CA -1.096 44.044 45.100 0.067 0.000 0.962 40 G HN 0.901 nan 8.290 nan 0.000 0.508 41 Q N -0.062 119.764 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 -0.000 0.000 0.266 41 Q C 1.304 177.377 176.000 0.122 0.000 0.989 41 Q CA 1.248 57.063 55.803 0.020 0.000 0.890 41 Q CB 1.087 29.782 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.366 110.257 108.800 0.152 0.000 2.241 42 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 42 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 42 G C 0.437 175.537 174.900 0.332 0.000 0.998 42 G CA 0.323 45.639 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.767 123.716 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 4.320 -0.000 0.000 0.206 43 A C 1.774 179.433 177.584 0.124 0.000 2.224 43 A CA 1.499 53.644 52.037 0.181 0.000 1.378 43 A CB -0.300 18.784 19.000 0.141 0.000 1.222 43 A HN 0.609 nan 8.150 nan 0.000 0.419 44 D N -0.323 120.139 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.248 176.089 176.300 0.061 0.000 1.001 44 D CA 0.022 54.070 54.000 0.080 0.000 0.871 44 D CB -0.415 40.433 40.800 0.080 0.000 0.943 44 D HN 0.192 nan 8.370 nan 0.000 0.518 45 N N 1.442 120.178 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.643 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.426 53.050 0.042 0.000 0.961 45 N CB 1.041 39.550 38.487 0.036 0.000 1.186 45 N HN -0.096 nan 8.380 nan 0.000 0.493 46 P HA 0.049 nan 4.420 nan 0.000 0.260 46 P C -2.349 174.920 177.300 -0.051 0.000 1.172 46 P CA -0.321 62.782 63.100 0.005 0.000 0.760 46 P CB -0.197 31.516 31.700 0.021 0.000 0.773 47 P HA 0.010 nan 4.420 nan 0.000 0.264 47 P C -0.429 176.886 177.300 0.025 0.000 1.236 47 P CA 0.448 63.535 63.100 -0.022 0.000 0.811 47 P CB 0.070 31.738 31.700 -0.053 0.000 0.840 48 Q N 2.069 121.883 119.800 0.024 0.000 2.332 48 Q HA 0.416 4.756 4.340 -0.000 0.000 0.263 48 Q C 1.249 177.262 176.000 0.021 0.000 0.979 48 Q CA 0.143 55.969 55.803 0.037 0.000 0.885 48 Q CB 0.382 29.140 28.738 0.033 0.000 1.218 48 Q HN 0.678 nan 8.270 nan 0.000 0.405 49 G N 1.162 109.984 108.800 0.037 0.000 2.149 49 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G C 0.423 175.269 174.900 -0.089 0.000 1.018 49 G CA 0.162 45.262 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.355 118.479 119.914 -0.134 0.000 2.649 50 V HA 0.344 4.464 4.120 -0.000 0.000 0.248 50 V C 0.974 176.581 176.094 -0.812 0.000 1.054 50 V CA 1.500 63.495 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.039 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.410 120.329 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 51 F C 0.129 175.937 175.800 0.014 0.000 1.076 51 F CA -1.222 56.761 58.000 -0.028 0.000 0.921 51 F CB 1.649 40.621 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.793 122.412 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.179 174.214 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.455 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.686 121.347 120.570 0.151 0.000 2.646 53 I HA 0.293 4.463 4.170 -0.000 0.000 0.299 53 I C -0.563 175.643 176.117 0.148 0.000 1.036 53 I CA -1.065 60.319 61.300 0.141 0.000 1.074 53 I CB 2.394 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.124 128.396 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.275 54 E C 0.481 177.067 176.600 -0.022 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.190 29.907 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.104 125.336 121.300 -0.114 0.000 2.279 55 W HA -0.324 4.336 4.660 -0.000 0.000 0.298 55 W C 0.921 177.365 176.519 -0.125 0.000 1.228 55 W CA 1.512 58.634 57.345 -0.371 0.000 1.230 55 W CB -0.391 28.452 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.513 120.278 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.323 178.813 176.600 -0.185 0.000 0.978 56 E CA 1.430 57.491 56.400 -0.565 0.000 0.912 56 E CB 0.128 29.129 29.700 -1.164 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.792 110.664 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.619 69.517 68.868 0.050 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.461 109.081 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G C -0.312 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.204 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.168 121.036 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 59 W C 0.666 177.151 176.519 -0.057 0.000 1.160 59 W CA -0.901 56.382 57.345 -0.103 0.000 1.218 59 W CB 1.132 30.544 29.460 -0.079 0.000 1.205 59 W HN 0.131 nan 8.180 nan 0.000 0.559 60 M N 4.322 124.102 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.310 175.118 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.943 33.616 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.609 124.946 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 -0.000 0.000 0.260 61 L C -0.929 176.039 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.976 42.059 0.091 0.000 1.370 61 L HN 0.425 nan 8.230 nan 0.000 0.416 62 V N 0.092 120.067 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 4.120 -0.000 0.000 0.286 62 V C 0.668 176.731 176.094 -0.052 0.000 1.034 62 V CA 0.346 62.593 62.300 -0.088 0.000 0.893 62 V CB 1.687 33.523 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.472 120.865 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 63 T C 0.660 175.018 174.700 -0.569 0.000 1.073 63 T CA 0.869 62.841 62.100 -0.214 0.000 1.125 63 T CB -0.155 68.594 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.076 120.083 120.500 -0.822 0.000 2.752 64 R HA 0.570 4.910 4.340 -0.000 0.000 0.271 64 R C -3.345 172.430 176.300 -0.875 0.000 1.026 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.901 64 R CB 0.239 30.161 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.463 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.193 0.000 0.785 65 P CB 0.408 32.067 31.700 -0.070 0.000 0.923 66 L N -0.603 120.605 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 -0.000 0.000 0.258 66 L C -0.635 176.278 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.978 44.069 42.059 0.054 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.355 120.111 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.827 177.204 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.097 0.000 0.870 67 D CB 1.555 42.398 40.800 0.072 0.000 1.160 67 D HN 0.631 nan 8.370 nan 0.000 0.549 68 R N 2.555 123.124 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 68 R C 0.901 177.247 176.300 0.076 0.000 1.134 68 R CA 1.225 57.398 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.688 120.916 120.200 0.047 0.000 2.209 69 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 69 E C 1.659 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.628 58.034 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.421 118.778 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 70 E C -0.388 176.060 176.600 -0.254 0.000 0.974 70 E CA 0.518 56.865 56.400 -0.088 0.000 0.810 70 E CB 0.307 30.050 29.700 0.072 0.000 0.775 70 E HN 0.138 nan 8.360 nan 0.000 0.453 71 Y N 0.403 120.729 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 71 Y C -0.359 175.591 175.900 0.083 0.000 0.985 71 Y CA -0.840 57.255 58.100 -0.009 0.000 1.112 71 Y CB 1.636 40.011 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.097 121.597 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.026 176.440 176.300 0.190 0.000 1.063 72 D CA 0.208 54.305 54.000 0.162 0.000 0.847 72 D CB 0.680 41.532 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.920 119.603 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.218 33.782 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.066 120.235 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 -0.000 0.000 0.347 74 Y C -0.815 175.027 175.900 -0.096 0.000 1.019 74 Y CA -0.815 57.248 58.100 -0.062 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.233 124.179 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.791 175.293 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.958 33.782 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.482 123.676 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 -0.000 0.000 0.260 76 L C -0.321 176.516 176.870 -0.055 0.000 1.015 76 L CA -0.602 54.207 54.840 -0.052 0.000 0.821 76 L CB 2.390 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.579 nan 8.230 nan 0.000 0.416 77 S N 0.481 116.149 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.573 173.839 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.152 64.330 63.200 -0.037 0.000 1.007 77 S HN 0.637 nan 8.310 nan 0.000 0.475 78 S N 4.699 120.168 115.700 -0.385 0.000 2.525 78 S HA 0.688 5.158 4.470 -0.000 0.000 0.290 78 S C -0.822 173.435 174.600 -0.572 0.000 1.152 78 S CA -0.771 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.832 63.950 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.232 119.381 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.368 79 H C -0.848 174.590 175.328 0.183 0.000 1.181 79 H CA -1.046 55.084 56.048 0.137 0.000 1.146 79 H CB 2.053 31.884 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.591 124.563 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.559 177.061 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.365 19.419 19.000 0.090 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.636 120.586 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.538 176.094 0.044 0.000 1.085 81 V CA -0.230 62.101 62.300 0.051 0.000 0.998 81 V CB 1.498 33.347 31.823 0.043 0.000 1.063 81 V HN 1.308 nan 8.190 nan 0.000 0.447 82 S N 0.559 116.287 115.700 0.046 0.000 2.652 82 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 82 S C 0.681 175.317 174.600 0.061 0.000 1.243 82 S CA -0.389 57.856 58.200 0.076 0.000 0.999 82 S CB 1.362 64.627 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.035 122.281 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 83 E C 2.055 178.671 176.600 0.026 0.000 0.989 83 E CA 1.512 57.937 56.400 0.042 0.000 0.800 83 E CB -0.698 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.050 118.790 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 84 N C 1.352 176.870 175.510 0.013 0.000 1.013 84 N CA 1.689 54.770 53.050 0.053 0.000 0.863 84 N CB -0.010 38.534 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.065 107.739 108.800 0.006 0.000 2.227 85 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G C -0.354 174.537 174.900 -0.015 0.000 1.006 85 G CA 0.011 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.754 117.454 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.377 172.227 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 nan 4.420 nan 0.000 0.272 87 P C 0.170 177.486 177.300 0.027 0.000 1.223 87 P CA -0.284 62.833 63.100 0.029 0.000 0.784 87 P CB 0.642 32.360 31.700 0.029 0.000 0.923 88 V N -0.178 119.762 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.467 176.589 176.094 0.046 0.000 1.222 88 V CA 0.872 63.193 62.300 0.036 0.000 1.181 88 V CB -0.340 31.508 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.867 121.108 120.200 0.068 0.000 2.212 89 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 89 E C -0.923 175.724 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.331 32.080 29.700 0.081 0.000 1.172 89 E HN 0.216 nan 8.360 nan 0.000 0.409 90 E N 2.743 122.981 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.195 174.449 176.600 0.073 0.000 0.980 90 E CA -1.092 55.347 56.400 0.066 0.000 0.927 90 E CB 0.138 29.866 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.062 nan 4.420 nan 0.000 0.274 91 P C -0.632 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.669 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.377 119.928 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 -0.000 0.000 0.281 92 M C -0.299 175.958 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.739 55.300 -0.054 0.000 0.954 92 M CB 1.921 34.498 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.680 123.856 120.200 -0.039 0.000 2.413 93 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.306 56.685 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.960 123.499 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.794 175.286 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.651 61.300 -0.062 0.000 1.047 94 I CB 2.446 40.392 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.445 120.970 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 95 T C -0.431 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.485 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.920 70.785 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.968 123.526 120.570 -0.020 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.683 175.482 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.882 39.816 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.450 124.195 118.700 0.074 0.000 2.400 97 N HA 0.393 5.133 4.740 -0.000 0.000 0.288 97 N C -0.796 174.778 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.963 41.489 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.748 123.743 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.747 176.898 176.094 0.094 0.000 1.040 98 V CA -0.706 61.672 62.300 0.131 0.000 0.866 98 V CB 0.052 31.987 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.903 124.517 120.570 0.074 0.000 2.533 99 I HA 0.106 4.276 4.170 -0.000 0.000 0.284 99 I C 0.901 177.048 176.117 0.050 0.000 1.109 99 I CA 0.169 61.502 61.300 0.055 0.000 1.412 99 I CB 0.272 38.299 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.479 126.904 120.400 0.041 0.000 2.400 100 D HA 0.077 4.717 4.640 -0.000 0.000 0.238 100 D C -0.587 175.730 176.300 0.028 0.000 1.157 100 D CA 0.470 54.491 54.000 0.034 0.000 0.889 100 D CB 0.951 41.765 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.634 121.449 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.897 175.111 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.553 30.306 28.738 0.025 0.000 1.342 101 Q HN 0.345 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.489 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.508 175.004 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.418 118.987 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.911 176.300 0.005 0.000 1.083 103 D CA 0.038 54.043 54.000 0.009 0.000 0.844 103 D CB 0.007 40.816 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.123 119.823 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 104 N C -0.799 174.704 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.286 40.770 38.487 -0.005 0.000 1.193 104 N HN 0.107 nan 8.380 nan 0.000 0.487 105 R N 2.875 123.370 120.500 -0.008 0.000 2.490 105 R HA 0.371 4.711 4.340 -0.000 0.000 0.278 105 R C -2.051 174.235 176.300 -0.023 0.000 1.069 105 R CA -0.930 55.162 56.100 -0.013 0.000 1.080 105 R CB 0.630 30.931 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.166 nan 4.420 nan 0.000 0.286 106 P C -1.520 175.747 177.300 -0.054 0.000 1.293 106 P CA -0.279 62.774 63.100 -0.078 0.000 0.770 106 P CB 0.669 32.280 31.700 -0.149 0.000 1.206 107 K N -0.425 119.931 120.400 -0.074 0.000 2.561 107 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 107 K C -1.150 175.463 176.600 0.020 0.000 0.942 107 K CA -0.571 55.724 56.287 0.014 0.000 0.818 107 K CB 0.982 33.515 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.172 122.199 119.950 0.127 0.000 2.518 108 F HA 0.034 4.561 4.527 -0.000 0.000 0.359 108 F C 1.961 177.881 175.800 0.200 0.000 1.118 108 F CA 0.485 58.613 58.000 0.214 0.000 1.287 108 F CB 1.174 40.350 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.222 116.048 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.685 175.445 174.700 0.101 0.000 1.041 109 T CA 1.546 63.807 62.100 0.268 0.000 1.159 109 T CB -0.160 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.385 119.376 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.997 29.170 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.521 119.771 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 111 D C -0.601 175.636 176.300 -0.105 0.000 1.001 111 D CA 0.342 54.295 54.000 -0.078 0.000 0.871 111 D CB 0.790 41.557 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.792 117.996 119.914 -0.211 0.000 2.823 112 V HA 0.467 4.588 4.120 -0.000 0.000 0.296 112 V C -0.995 174.970 176.094 -0.217 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.710 32.489 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.352 122.256 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.745 176.510 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.128 41.094 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.564 121.133 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.455 175.870 176.300 0.042 0.000 0.996 114 R CA -1.114 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 32.561 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.386 108.423 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 115 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 115 G C -1.481 173.428 174.900 0.015 0.000 1.425 115 G CA -0.535 44.568 45.100 0.005 0.000 0.822 115 G HN 0.570 nan 8.290 nan 0.000 0.482 116 S N -1.615 114.098 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.113 173.517 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.644 64.866 63.200 0.037 0.000 1.115 116 S HN 1.670 nan 8.310 nan 0.000 0.461 117 V N 0.413 120.371 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.309 175.832 176.094 0.078 0.000 1.262 117 V CA -1.180 61.165 62.300 0.074 0.000 1.030 117 V CB 1.871 33.752 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.124 121.662 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.133 56.270 56.100 0.062 0.000 1.021 118 R CB 1.200 31.528 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.812 123.056 120.200 0.074 0.000 2.118 119 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 119 E C 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.512 57.957 56.400 0.076 0.000 0.804 119 E CB -0.180 29.573 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.051 110.879 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 120 G C 0.787 175.702 174.900 0.025 0.000 1.165 120 G CA 0.325 45.447 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.185 117.743 119.914 0.024 0.000 3.237 121 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 121 V C -0.074 176.021 176.094 0.002 0.000 1.096 121 V CA -0.862 61.447 62.300 0.016 0.000 1.130 121 V CB 0.920 32.755 31.823 0.021 0.000 1.048 121 V HN 0.249 nan 8.190 nan 0.000 0.484 122 Q N 2.830 122.630 119.800 -0.000 0.000 2.259 122 Q HA 0.396 4.736 4.340 -0.000 0.000 0.246 122 Q C -2.353 173.636 176.000 -0.018 0.000 0.920 122 Q CA -1.843 53.955 55.803 -0.009 0.000 0.895 122 Q CB 1.321 30.056 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.718 63.794 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.089 31.700 -0.048 0.000 0.810 124 G N 1.470 110.259 108.800 -0.018 0.000 2.145 124 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.176 124 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.176 124 G C -0.127 174.775 174.900 0.003 0.000 1.013 124 G CA -0.371 44.725 45.100 -0.006 0.000 0.689 124 G HN 0.644 nan 8.290 nan 0.000 0.506 125 T N 0.814 115.373 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 125 T C 0.203 174.921 174.700 0.030 0.000 0.982 125 T CA -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.879 70.758 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.507 123.319 119.800 0.021 0.000 2.271 126 Q HA 0.259 4.599 4.340 -0.000 0.000 0.273 126 Q C 0.284 176.297 176.000 0.021 0.000 1.051 126 Q CA -0.156 55.657 55.803 0.018 0.000 0.901 126 Q CB 0.804 29.546 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.795 124.720 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.754 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.404 62.711 62.300 0.011 0.000 1.286 127 V CB 0.316 32.149 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.203 119.772 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 -0.000 0.000 0.219 128 M C -0.460 175.795 176.300 -0.075 0.000 1.004 128 M CA 0.083 55.347 55.300 -0.060 0.000 1.427 128 M CB 1.415 33.959 32.600 -0.092 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.053 122.816 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 129 A C -1.719 175.735 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.033 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.337 121.013 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 130 V C 0.106 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.370 33.679 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.496 117.087 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 -0.000 0.000 0.296 131 S C -0.436 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.827 123.746 122.820 0.164 0.000 2.549 132 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 132 A C -0.921 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.714 51.328 52.037 0.007 0.000 0.655 132 A CB 0.665 19.426 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.198 113.326 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 -0.000 0.000 0.302 133 T C -1.689 172.974 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.498 62.100 -0.043 0.000 1.009 133 T CB 2.168 71.034 68.868 -0.003 0.000 1.254 133 T HN 0.766 nan 8.240 nan 0.000 0.504 134 D N -0.519 119.848 120.400 -0.054 0.000 2.646 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 134 D C 0.300 176.583 176.300 -0.029 0.000 1.099 134 D CA -0.503 53.467 54.000 -0.049 0.000 0.849 134 D CB 2.665 43.427 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.163 121.352 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 135 E C -0.102 176.492 176.600 -0.010 0.000 1.013 135 E CA -0.059 56.334 56.400 -0.013 0.000 0.866 135 E CB 0.456 30.150 29.700 -0.009 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.179 121.573 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 136 D C 0.071 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.149 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.957 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 137 D C 0.081 176.376 176.300 -0.008 0.000 1.189 137 D CA 0.257 54.257 54.000 -0.001 0.000 0.887 137 D CB 0.164 40.967 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.010 120.705 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.050 175.456 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 53.050 -0.013 0.000 0.847 138 N CB 0.072 38.549 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.880 119.688 120.570 -0.003 0.000 4.541 139 I HA 0.242 4.412 4.170 -0.000 0.000 0.337 139 I C -0.480 175.638 176.117 0.001 0.000 1.338 139 I CA 0.160 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.272 120.128 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.374 176.674 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.050 41.854 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.685 115.014 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.079 174.671 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.237 64.435 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.196 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.767 177.619 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.471 41.571 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.010 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 143 N C 1.489 176.980 175.510 -0.032 0.000 1.056 143 N CA 1.262 54.298 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.352 nan 8.380 nan 0.000 0.445 144 G N -0.822 107.956 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 -0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 -0.000 0.000 0.287 144 G C -0.352 174.511 174.900 -0.061 0.000 1.011 144 G CA -0.102 44.971 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.450 119.421 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.526 175.482 176.094 -0.143 0.000 1.030 145 V CA -1.180 61.066 62.300 -0.091 0.000 0.881 145 V CB 1.628 33.411 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.821 124.911 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.267 146 L C 0.381 177.001 176.870 -0.417 0.000 1.033 146 L CA -0.284 54.343 54.840 -0.355 0.000 0.802 146 L CB 1.363 43.099 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.236 115.205 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 -0.000 0.000 0.291 147 S C -1.072 173.335 174.600 -0.322 0.000 1.145 147 S CA -0.433 57.583 58.200 -0.307 0.000 1.013 147 S CB 0.406 63.523 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.549 122.828 120.300 -0.034 0.000 2.307 148 Y HA 0.645 5.195 4.550 -0.000 0.000 0.324 148 Y C 1.133 177.033 175.900 -0.000 0.000 1.238 148 Y CA -0.086 58.002 58.100 -0.021 0.000 1.280 148 Y CB 1.508 39.950 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.832 116.647 115.700 0.192 0.000 2.636 149 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 149 S C -1.539 173.120 174.600 0.099 0.000 1.159 149 S CA -0.996 57.272 58.200 0.113 0.000 0.815 149 S CB 1.271 64.516 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.896 121.507 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.793 175.353 176.117 0.048 0.000 1.089 150 I CA -1.081 60.250 61.300 0.051 0.000 1.041 150 I CB 2.079 40.103 38.000 0.041 0.000 1.235 150 I HN 0.672 nan 8.210 nan 0.000 0.423 151 L N 2.010 123.259 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 -0.000 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.273 41.809 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.756 122.182 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.514 175.124 176.600 0.063 0.000 1.394 152 K CA -0.129 56.187 56.287 0.048 0.000 1.138 152 K CB 0.921 33.443 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.522 122.380 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 -0.000 0.000 0.255 153 Q C -0.462 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.786 55.110 55.803 0.154 0.000 0.927 153 Q CB 1.859 30.735 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.791 123.287 120.400 0.160 0.000 2.376 154 D HA 0.202 4.842 4.640 -0.000 0.000 0.268 154 D C -2.055 174.319 176.300 0.124 0.000 1.252 154 D CA -1.433 52.631 54.000 0.108 0.000 1.041 154 D CB 0.059 40.892 40.800 0.055 0.000 1.109 154 D HN 0.510 nan 8.370 nan 0.000 0.552 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.798 176.548 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.612 30.997 31.700 -0.152 0.000 1.908 156 E N -0.029 120.207 120.200 0.061 0.000 2.401 156 E HA -0.085 4.265 4.350 -0.000 0.000 0.203 156 E C 0.350 176.943 176.600 -0.012 0.000 1.229 156 E CA 0.580 57.006 56.400 0.044 0.000 1.000 156 E CB -0.075 29.645 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.881 118.273 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 157 E C -2.179 174.067 176.600 -0.590 0.000 0.884 157 E CA -2.288 53.970 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.208 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.046 nan 4.420 nan 0.000 0.215 158 P C -0.088 177.122 177.300 -0.150 0.000 1.153 158 P CA 1.376 64.301 63.100 -0.291 0.000 0.853 158 P CB 0.073 31.642 31.700 -0.219 0.000 0.788 159 I N -7.344 113.138 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 159 I C -2.598 173.464 176.117 -0.091 0.000 1.187 159 I CA -2.700 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.627 40.566 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.146 176.127 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.983 63.100 -0.033 0.000 1.270 160 P CB -0.416 31.282 31.700 -0.003 0.000 1.596 161 N N 0.078 118.715 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.005 176.372 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.681 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.447 0.000 2.201 162 L HA 0.133 4.473 4.340 -0.000 0.000 0.212 162 L C -0.309 175.926 176.870 -1.058 0.000 1.105 162 L CA 1.256 55.541 54.840 -0.925 0.000 0.775 162 L CB -0.316 40.819 42.059 -1.539 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.688 117.187 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 163 F C 0.061 175.824 175.800 -0.062 0.000 1.106 163 F CA -1.011 56.934 58.000 -0.092 0.000 0.970 163 F CB 1.405 40.345 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.424 115.085 114.554 0.179 0.000 2.816 164 T HA 0.742 5.092 4.350 -0.000 0.000 0.299 164 T C -1.944 172.793 174.700 0.061 0.000 1.230 164 T CA -0.531 61.621 62.100 0.086 0.000 1.007 164 T CB 1.707 70.603 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.504 123.096 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.668 175.464 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.952 39.951 38.000 -0.002 0.000 1.239 165 I HN 0.564 nan 8.210 nan 0.000 0.421 166 N N 6.471 125.175 118.700 0.007 0.000 2.405 166 N HA 0.088 4.828 4.740 -0.000 0.000 0.260 166 N C 0.945 176.509 175.510 0.090 0.000 1.152 166 N CA 0.351 53.419 53.050 0.031 0.000 0.948 166 N CB 0.911 39.404 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.193 123.755 120.500 0.104 0.000 2.117 167 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 167 R C 1.498 177.927 176.300 0.215 0.000 1.143 167 R CA 1.776 57.965 56.100 0.149 0.000 0.968 167 R CB 0.101 30.441 30.300 0.067 0.000 0.863 167 R HN 0.725 nan 8.270 nan 0.000 0.444 168 E N -0.884 119.408 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 168 E C 1.569 178.318 176.600 0.248 0.000 0.974 168 E CA 1.583 58.070 56.400 0.145 0.000 0.808 168 E CB 0.125 29.866 29.700 0.070 0.000 0.768 168 E HN 0.513 nan 8.360 nan 0.000 0.453 169 T N -3.499 111.146 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.180 0.000 1.085 169 T CA 0.665 62.797 62.100 0.052 0.000 1.109 169 T CB 0.453 69.319 68.868 -0.004 0.000 0.921 169 T HN 0.338 nan 8.240 nan 0.000 0.488 170 G N 1.018 109.654 108.800 -0.274 0.000 2.148 170 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.662 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.094 120.885 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 171 V C 1.025 177.059 176.094 -0.099 0.000 1.055 171 V CA -0.415 61.801 62.300 -0.139 0.000 1.023 171 V CB 1.626 33.402 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.425 122.939 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.751 4.170 -0.000 0.000 0.301 172 I C 0.162 176.279 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.940 119.677 115.700 0.062 0.000 2.595 173 S HA 0.513 4.983 4.470 -0.000 0.000 0.281 173 S C -1.055 173.646 174.600 0.168 0.000 1.117 173 S CA -0.551 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.390 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.745 124.040 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 174 L C 0.331 177.167 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.058 42.104 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.692 123.180 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 175 I C 1.251 177.286 176.117 -0.136 0.000 1.172 175 I CA 0.489 61.726 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.307 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.053 108.722 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.428 3.960 -0.000 0.000 0.267 176 G HA3 0.468 4.428 3.960 -0.000 0.000 0.267 176 G C -0.711 174.084 174.900 -0.174 0.000 1.406 176 G CA 0.374 45.358 45.100 -0.193 0.000 1.048 176 G HN 0.258 nan 8.290 nan 0.000 0.548 177 T N -4.919 109.546 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.077 174.722 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.636 70.465 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.074 110.833 108.800 -0.067 0.000 2.731 178 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 178 G C -0.217 174.689 174.900 0.011 0.000 0.989 178 G CA -0.773 44.309 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.606 122.834 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 179 L C -0.284 176.666 176.870 0.133 0.000 1.166 179 L CA 0.161 55.048 54.840 0.078 0.000 0.880 179 L CB 0.912 43.000 42.059 0.049 0.000 1.142 179 L HN 0.165 nan 8.230 nan 0.000 0.473 180 D N 2.503 123.034 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 -0.000 0.000 0.241 180 D C 0.549 176.963 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.522 42.439 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.044 120.500 0.126 0.000 2.075 181 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 181 R C 0.769 177.097 176.300 0.047 0.000 1.126 181 R CA 1.456 57.614 56.100 0.096 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.168 120.389 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.662 178.211 176.600 -0.085 0.000 0.993 182 E CA 1.434 57.829 56.400 -0.010 0.000 0.819 182 E CB 0.124 29.828 29.700 0.006 0.000 0.745 182 E HN 0.335 nan 8.360 nan 0.000 0.477 183 K N -1.142 119.184 120.400 -0.124 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.383 175.772 176.600 -0.741 0.000 1.132 183 K CA 0.237 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.683 32.828 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.534 121.479 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 184 F C -2.092 173.678 175.800 -0.051 0.000 1.169 184 F CA -1.723 56.228 58.000 -0.082 0.000 1.093 184 F CB 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.093 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.173 177.174 177.300 0.078 0.000 1.188 185 P CA 0.726 63.874 63.100 0.081 0.000 0.794 185 P CB 1.237 32.956 31.700 0.032 0.000 0.937 186 E N -0.258 119.923 120.200 -0.033 0.000 2.302 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.263 186 E C -1.377 175.165 176.600 -0.097 0.000 0.897 186 E CA -0.674 55.729 56.400 0.006 0.000 0.809 186 E CB 1.042 30.746 29.700 0.007 0.000 1.270 186 E HN -0.119 nan 8.360 nan 0.000 0.410 187 Y N 1.270 121.620 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.413 176.318 175.900 0.010 0.000 1.190 187 Y CA -0.320 57.824 58.100 0.073 0.000 1.215 187 Y CB 2.010 40.554 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.829 119.473 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.311 188 T C -0.819 173.916 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.195 68.691 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.494 121.722 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.415 43.448 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.353 116.898 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.107 174.798 174.700 -0.014 0.000 0.963 190 T CA -0.531 61.553 62.100 -0.027 0.000 1.019 190 T CB 1.589 70.454 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.536 121.428 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 191 V C -0.685 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.360 62.300 0.054 0.000 0.998 191 V CB 1.963 33.813 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.166 121.144 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.482 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.775 124.638 122.820 0.072 0.000 2.386 193 A HA 0.867 5.187 4.320 -0.000 0.000 0.311 193 A C -1.066 176.419 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 52.037 -0.176 0.000 0.743 193 A CB 2.147 20.877 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.931 115.364 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 194 T C -0.968 173.646 174.700 -0.143 0.000 1.061 194 T CA -0.463 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.464 70.284 68.868 -0.080 0.000 1.103 194 T HN 0.650 nan 8.240 nan 0.000 0.486 195 D N 1.415 121.756 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 195 D C 0.964 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.078 54.029 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.669 122.853 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 -0.000 0.000 0.440 196 L C -0.109 176.727 176.870 -0.056 0.000 1.262 196 L CA 0.296 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.048 39.990 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.557 118.597 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 -0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.529 28.141 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.413 108.338 108.800 -0.082 0.000 2.189 198 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.267 198 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.267 198 G C 0.943 175.818 174.900 -0.040 0.000 0.975 198 G CA 0.890 45.955 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.239 122.557 122.820 -0.040 0.000 1.924 199 A HA 0.598 4.918 4.320 -0.000 0.000 0.211 199 A C 2.335 179.904 177.584 -0.025 0.000 1.198 199 A CA 1.731 53.752 52.037 -0.027 0.000 0.657 199 A CB -0.640 18.345 19.000 -0.024 0.000 0.852 199 A HN 1.520 nan 8.150 nan 0.000 0.454 200 G N 0.010 108.791 108.800 -0.032 0.000 2.830 200 G HA2 0.353 4.313 3.960 -0.000 0.000 0.172 200 G HA3 0.353 4.313 3.960 -0.000 0.000 0.172 200 G C 0.369 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.119 45.203 45.100 -0.027 0.000 0.900 200 G HN 0.355 nan 8.290 nan 0.000 0.389 201 L N 0.202 121.409 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.024 0.000 1.034 201 L CA -0.696 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.112 44.163 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.066 115.763 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 -0.000 0.000 0.289 202 S C -0.593 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.072 117.897 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.921 174.386 176.094 0.354 0.000 1.283 203 V CA -1.179 61.233 62.300 0.188 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.030 120.439 120.200 0.348 0.000 2.299 204 E HA 0.888 5.238 4.350 -0.000 0.000 0.265 204 E C 0.033 176.533 176.600 -0.167 0.000 0.911 204 E CA 0.015 56.536 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.213 nan 8.360 nan 0.000 0.427 205 G N 0.253 108.688 108.800 -0.607 0.000 3.135 205 G HA2 0.759 4.719 3.960 -0.000 0.000 0.278 205 G HA3 0.759 4.719 3.960 -0.000 0.000 0.278 205 G C -1.232 173.445 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.411 175.173 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.713 56.287 -0.109 0.000 0.840 206 K CB 2.297 34.756 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.035 126.828 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 207 A C -1.041 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.716 123.280 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 208 I C -1.048 175.068 176.117 -0.001 0.000 1.026 208 I CA -0.374 60.925 61.300 -0.003 0.000 1.078 208 I CB 1.890 39.895 38.000 0.009 0.000 1.249 208 I HN 0.520 nan 8.210 nan 0.000 0.429 209 I N 5.713 126.291 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 209 I C -0.132 176.054 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.503 39.483 38.000 -0.034 0.000 1.315 209 I HN 0.500 nan 8.210 nan 0.000 0.448 210 Q N 6.062 125.914 119.800 0.086 0.000 2.214 210 Q HA 0.569 4.909 4.340 -0.000 0.000 0.251 210 Q C -1.043 175.027 176.000 0.118 0.000 0.936 210 Q CA -0.710 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.235 31.005 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.807 123.456 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.579 176.750 176.117 0.091 0.000 1.012 211 I CA -0.415 60.966 61.300 0.136 0.000 1.195 211 I CB 1.613 39.729 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.280 118.879 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 -0.000 0.000 0.339 212 T C 0.069 174.803 174.700 0.056 0.000 1.059 212 T CA 0.096 62.229 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.654 119.774 120.400 0.046 0.000 2.272 213 D HA 0.581 5.221 4.640 -0.000 0.000 0.247 213 D C -0.862 175.470 176.300 0.054 0.000 0.990 213 D CA -0.508 53.522 54.000 0.049 0.000 0.931 213 D CB 1.788 42.612 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.878 124.735 122.820 0.061 0.000 2.515 214 A HA 0.327 4.647 4.320 -0.000 0.000 0.296 214 A C -0.296 177.336 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.613 119.371 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.048 175.538 175.510 0.128 0.000 1.317 215 N CA 0.234 53.367 53.050 0.138 0.000 1.151 215 N CB -0.226 38.370 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.378 119.071 120.400 0.081 0.000 2.178 216 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 216 D C -0.005 176.302 176.300 0.012 0.000 0.980 216 D CA 1.116 55.144 54.000 0.047 0.000 0.842 216 D CB 0.092 40.917 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.242 118.959 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 -0.000 0.000 0.298 217 N C -0.809 174.670 175.510 -0.052 0.000 1.130 217 N CA -0.577 52.463 53.050 -0.017 0.000 0.894 217 N CB 1.959 40.455 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.470 124.203 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 -0.000 0.000 0.329 218 A C -2.490 175.028 177.584 -0.111 0.000 1.122 218 A CA -1.509 50.408 52.037 -0.201 0.000 0.850 218 A CB 0.486 19.283 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.521 nan 4.420 nan 0.000 0.284 219 P C -1.071 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.045 63.031 63.100 -0.190 0.000 0.800 219 P CB 0.766 32.302 31.700 -0.273 0.000 0.961 220 I N 3.224 123.677 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 220 I C -0.290 175.755 176.117 -0.120 0.000 1.023 220 I CA -0.909 60.326 61.300 -0.109 0.000 1.083 220 I CB 1.140 39.127 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.030 125.008 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 -0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.400 58.451 58.000 0.085 0.000 1.164 221 F CB 0.190 39.263 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.529 124.058 120.400 0.215 0.000 2.378 222 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 222 D C -1.851 174.482 176.300 0.055 0.000 1.012 222 D CA 0.177 54.256 54.000 0.132 0.000 0.905 222 D CB -0.193 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.021 177.313 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.219 33.372 31.700 -0.912 0.000 1.377 224 K N -0.768 119.593 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 224 K C -0.306 176.261 176.600 -0.056 0.000 1.117 224 K CA 0.733 56.993 56.287 -0.044 0.000 0.965 224 K CB 0.384 32.868 32.500 -0.026 0.000 0.983 224 K HN 0.506 nan 8.250 nan 0.000 0.531 225 T N -1.054 113.474 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.683 174.033 174.700 0.027 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.413 69.268 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.465 121.714 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 -0.000 0.000 0.326 226 Y C 1.095 176.962 175.900 -0.056 0.000 1.168 226 Y CA -0.966 57.095 58.100 -0.065 0.000 1.269 226 Y CB 2.277 40.692 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.153 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.292 173.444 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.580 70.474 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.875 124.716 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.644 175.966 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.311 20.311 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.631 121.889 121.223 0.058 0.000 2.334 229 L HA 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.384 176.548 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.351 119.607 119.914 0.073 0.000 3.120 230 V HA 0.656 4.776 4.120 -0.000 0.000 0.303 230 V C -3.024 173.049 176.094 -0.036 0.000 1.238 230 V CA -2.014 60.337 62.300 0.084 0.000 1.008 230 V CB 2.273 34.162 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.457 177.637 177.300 -0.199 0.000 1.301 231 P CA -0.275 62.720 63.100 -0.175 0.000 0.862 231 P CB 1.910 33.462 31.700 -0.247 0.000 1.046 232 E N 1.919 122.001 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.447 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.011 29.591 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.503 118.113 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.580 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.272 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 -0.000 0.000 0.203 234 E C 0.570 177.128 176.600 -0.070 0.000 0.995 234 E CA -0.192 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.784 121.304 120.570 -0.082 0.000 3.276 235 I HA -0.090 4.080 4.170 -0.000 0.000 0.341 235 I C -0.026 176.092 176.117 0.001 0.000 1.151 235 I CA 1.345 62.623 61.300 -0.038 0.000 1.496 235 I CB 0.208 38.169 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.839 115.677 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.326 173.679 174.900 0.176 0.000 2.080 236 G CA -0.247 44.895 45.100 0.070 0.000 0.896 236 G HN 1.204 nan 8.290 nan 0.000 0.514 237 F N 1.277 121.204 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 237 F C -0.467 175.322 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.028 0.000 0.972 237 F CB 1.596 40.574 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.921 123.658 120.200 -0.771 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.239 176.184 176.600 -1.091 0.000 1.106 238 E CA -0.005 55.941 56.400 -0.757 0.000 0.946 238 E CB 1.139 30.579 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.973 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 239 V C 0.318 176.255 176.094 -0.261 0.000 1.036 239 V CA 1.840 63.900 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.916 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.668 118.992 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 -0.000 0.000 0.282 240 Q C -0.982 174.890 176.000 -0.212 0.000 1.020 240 Q CA -0.617 55.080 55.803 -0.177 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.362 121.776 120.500 -0.143 0.000 2.668 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.279 241 R C -0.939 175.279 176.300 -0.136 0.000 0.976 241 R CA -0.736 55.280 56.100 -0.140 0.000 0.978 241 R CB 1.069 31.332 30.300 -0.062 0.000 1.133 241 R HN 0.547 nan 8.270 nan 0.000 0.484 242 L N 0.029 121.161 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.489 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.669 116.549 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 -0.000 0.000 0.301 243 S C -0.673 174.007 174.600 0.134 0.000 1.092 243 S CA -0.710 57.593 58.200 0.173 0.000 1.048 243 S CB 2.203 65.491 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.062 118.848 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.070 4.120 -0.000 0.000 0.299 244 V C -1.199 174.821 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.045 113.431 114.554 -0.130 0.000 3.176 245 T HA 0.440 4.790 4.350 -0.000 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.740 69.615 68.868 0.011 0.000 1.018 245 T HN 1.081 nan 8.240 nan 0.000 0.473 246 D N 2.120 122.450 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.693 53.280 54.000 -0.044 0.000 0.948 246 D CB 1.509 42.237 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.987 123.284 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.836 177.788 176.870 0.137 0.000 1.136 247 L CA -0.122 54.798 54.840 0.134 0.000 0.933 247 L CB 0.019 42.116 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.417 120.086 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.129 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.124 120.753 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 -0.000 0.000 0.343 249 M C -1.902 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.225 54.038 55.300 -0.062 0.000 1.161 249 M CB 1.209 33.785 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.251 nan 4.420 nan 0.000 0.216 250 P C 0.921 177.764 177.300 -0.761 0.000 1.062 250 P CA 2.405 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.167 30.928 31.700 -1.008 0.000 0.762 251 G N -2.432 106.136 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.171 175.067 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.497 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.794 115.362 114.554 0.024 0.000 2.907 252 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 252 T C -1.843 172.959 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.153 71.057 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.064 nan 4.420 nan 0.000 0.234 253 P C 0.502 177.846 177.300 0.073 0.000 1.162 253 P CA 0.329 63.474 63.100 0.075 0.000 0.759 253 P CB 0.029 31.749 31.700 0.032 0.000 0.813 254 A N -3.624 119.271 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.110 178.825 177.584 0.217 0.000 1.274 254 A CA -0.271 51.846 52.037 0.134 0.000 0.920 254 A CB -0.803 18.273 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.872 120.424 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.172 176.675 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.460 57.345 -0.013 0.000 1.253 255 W CB 0.676 30.131 29.460 -0.008 0.000 1.016 255 W HN 0.150 nan 8.180 nan 0.000 0.537 256 Q N 2.362 122.191 119.800 0.049 0.000 2.274 256 Q HA 0.513 4.853 4.340 -0.000 0.000 0.256 256 Q C -0.266 175.616 176.000 -0.197 0.000 0.927 256 Q CA 0.028 55.782 55.803 -0.081 0.000 0.939 256 Q CB 1.579 30.336 28.738 0.032 0.000 1.201 256 Q HN 0.118 nan 8.270 nan 0.000 0.426 257 A N 3.499 126.140 122.820 -0.299 0.000 2.316 257 A HA 0.577 4.897 4.320 -0.000 0.000 0.284 257 A C -0.698 176.660 177.584 -0.378 0.000 1.115 257 A CA -0.442 51.346 52.037 -0.414 0.000 0.812 257 A CB 0.940 19.620 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.467 122.088 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.985 174.857 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.110 32.836 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.053 123.348 120.300 -0.007 0.000 2.782 259 Y HA 0.855 5.405 4.550 -0.000 0.000 0.329 259 Y C 0.251 176.164 175.900 0.021 0.000 1.192 259 Y CA -1.005 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.300 39.773 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.351 120.903 120.400 0.253 0.000 2.976 260 K HA 0.188 4.508 4.320 -0.000 0.000 0.326 260 K C -1.863 174.804 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.010 32.567 32.500 0.095 0.000 1.355 260 K HN 0.651 nan 8.250 nan 0.000 0.388 261 I N -0.240 120.374 120.570 0.074 0.000 2.834 261 I HA 0.336 4.506 4.170 -0.000 0.000 0.305 261 I C 0.882 177.032 176.117 0.056 0.000 1.008 261 I CA -0.671 60.657 61.300 0.048 0.000 1.273 261 I CB 1.060 39.086 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.832 123.359 120.500 0.045 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.934 57.062 56.100 0.046 0.000 0.968 262 R CB -0.209 30.113 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.431 122.382 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.542 175.626 176.094 0.123 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.911 33.778 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.062 121.835 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.117 53.044 53.050 0.185 0.000 0.946 264 N CB 1.275 39.838 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.611 122.982 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.177 177.687 176.600 -0.149 0.000 1.069 265 E CA 2.466 59.017 56.400 0.251 0.000 0.950 265 E CB -0.444 29.690 29.700 0.724 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.385 105.812 108.800 -1.005 0.000 3.453 266 G HA2 0.386 4.346 3.960 -0.000 0.000 0.263 266 G HA3 0.386 4.346 3.960 -0.000 0.000 0.263 266 G C 0.611 174.806 174.900 -1.174 0.000 1.060 266 G CA 0.213 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.800 109.194 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G C 0.318 175.093 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.291 45.100 -0.259 0.000 0.922 267 G HN 0.943 nan 8.290 nan 0.000 0.503 268 F N -1.763 118.096 119.950 -0.151 0.000 2.983 268 F HA 0.731 5.258 4.527 -0.000 0.000 0.307 268 F C 0.019 175.301 175.800 -0.864 0.000 1.218 268 F CA -1.450 56.288 58.000 -0.437 0.000 1.323 268 F CB 0.175 38.873 39.000 -0.503 0.000 0.989 268 F HN -0.036 nan 8.300 nan 0.000 0.509 269 F N 0.760 120.815 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 -0.000 0.000 0.312 269 F C -0.774 175.045 175.800 0.031 0.000 1.119 269 F CA -1.220 56.821 58.000 0.068 0.000 0.979 269 F CB 1.913 40.941 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.343 121.168 118.700 0.210 0.000 2.229 270 N HA 0.702 5.442 4.740 -0.000 0.000 0.298 270 N C -1.923 173.626 175.510 0.066 0.000 1.114 270 N CA -0.538 52.578 53.050 0.109 0.000 0.776 270 N CB 2.364 40.888 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.267 121.858 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 271 I C -0.947 175.173 176.117 0.004 0.000 1.115 271 I CA -0.202 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.788 39.748 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.990 118.534 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.471 174.249 174.700 0.033 0.000 1.020 272 T CA -0.514 61.598 62.100 0.021 0.000 0.994 272 T CB 1.807 70.681 68.868 0.010 0.000 1.180 272 T HN 0.606 nan 8.240 nan 0.000 0.566 273 T N 1.153 115.753 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 273 T C -1.246 173.487 174.700 0.055 0.000 1.039 273 T CA -0.793 61.376 62.100 0.115 0.000 1.024 273 T CB 1.675 70.635 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.705 121.133 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 -0.000 0.000 0.238 274 D C -2.764 173.567 176.300 0.053 0.000 1.248 274 D CA -2.278 51.745 54.000 0.038 0.000 0.903 274 D CB 2.058 42.873 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.086 nan 4.420 nan 0.000 0.238 275 P C -0.179 177.208 177.300 0.145 0.000 1.649 275 P CA 0.440 63.620 63.100 0.134 0.000 0.960 275 P CB -0.045 31.727 31.700 0.121 0.000 1.911 276 E N -1.840 118.437 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 -0.000 0.000 0.190 276 E C 0.583 177.295 176.600 0.187 0.000 1.022 276 E CA -0.097 56.377 56.400 0.123 0.000 1.068 276 E CB -0.302 29.441 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.705 116.477 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.622 173.937 174.600 -0.069 0.000 1.021 277 S CA 0.064 58.332 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.345 120.001 118.700 -0.073 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.124 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.920 37.392 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.033 119.764 119.800 -0.005 0.000 2.443 279 Q HA 0.236 4.576 4.340 -0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.163 55.968 55.803 0.003 0.000 0.924 279 Q CB 0.802 29.537 28.738 -0.005 0.000 1.256 279 Q HN 0.538 nan 8.270 nan 0.000 0.519 280 G N 1.332 110.023 108.800 -0.182 0.000 2.350 280 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 280 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 280 G C -0.884 173.797 174.900 -0.365 0.000 1.094 280 G CA -0.419 44.338 45.100 -0.571 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 281 I C -0.330 175.670 176.117 -0.196 0.000 1.025 281 I CA -0.833 60.351 61.300 -0.193 0.000 1.197 281 I CB 0.693 38.624 38.000 -0.114 0.000 1.358 281 I HN 0.251 nan 8.210 nan 0.000 0.467 282 L N 7.976 129.063 121.223 -0.227 0.000 2.343 282 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 282 L C -0.191 176.590 176.870 -0.147 0.000 1.056 282 L CA -0.062 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.637 43.545 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.403 113.122 114.554 -0.048 0.000 2.754 283 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 283 T C -0.563 174.223 174.700 0.142 0.000 1.205 283 T CA -0.706 61.379 62.100 -0.026 0.000 1.009 283 T CB 1.534 70.373 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.065 114.534 114.554 0.075 0.000 2.771 284 T HA 0.653 5.003 4.350 -0.000 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.281 70.140 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.338 126.076 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 285 A C 1.234 178.791 177.584 -0.045 0.000 1.202 285 A CA 0.518 52.521 52.037 -0.057 0.000 0.607 285 A CB -0.179 18.799 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.922 119.445 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.358 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.025 32.541 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.500 110.258 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.151 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.977 119.124 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 -0.000 0.000 0.255 288 L C 0.585 177.352 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.308 0.000 1.526 288 L CB 1.451 43.120 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.371 118.854 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 -0.000 0.000 0.292 289 D C -1.086 175.327 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.262 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.911 118.042 119.950 0.005 0.000 2.817 290 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 290 F C 0.170 175.983 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.843 39.862 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.113 120.554 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.918 177.623 176.600 0.175 0.000 0.977 291 E CA 0.115 56.645 56.400 0.218 0.000 1.038 291 E CB 0.619 30.402 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.091 121.243 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 -0.000 0.000 0.203 292 L C 0.487 177.192 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.984 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.567 119.909 120.500 -0.040 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.276 176.300 0.459 0.000 1.019 293 R CA -0.431 55.762 56.100 0.157 0.000 0.894 293 R CB 2.257 32.526 30.300 -0.052 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.360 120.854 120.400 0.157 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.132 176.514 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.518 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.124 119.873 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 295 Q C -1.549 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.623 55.099 55.803 -0.135 0.000 0.896 295 Q CB 1.641 30.322 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.482 120.811 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 296 Y C -0.826 175.063 175.900 -0.018 0.000 1.101 296 Y CA -0.652 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.553 40.025 38.460 0.020 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.442 126.411 119.914 0.091 0.000 2.313 297 V HA 0.524 4.644 4.120 -0.000 0.000 0.278 297 V C -0.404 175.714 176.094 0.041 0.000 1.017 297 V CA -0.482 61.843 62.300 0.040 0.000 0.823 297 V CB 0.638 32.470 31.823 0.015 0.000 1.010 297 V HN 0.567 nan 8.190 nan 0.000 0.443 298 L N 3.216 124.438 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 298 L C -0.910 175.925 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.409 121.183 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.311 32.031 28.738 -0.031 0.000 1.327 299 Q HN 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.425 121.970 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 300 I C 0.013 176.245 176.117 0.192 0.000 1.026 300 I CA -0.289 61.054 61.300 0.071 0.000 1.078 300 I CB 2.073 40.115 38.000 0.070 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.027 117.715 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.448 174.410 174.700 0.263 0.000 1.005 301 T CA -0.828 61.424 62.100 0.255 0.000 1.041 301 T CB 1.942 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.535 121.546 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 302 V C -0.938 175.077 176.094 -0.131 0.000 1.042 302 V CA -0.569 61.619 62.300 -0.187 0.000 0.877 302 V CB 1.548 33.107 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.406 124.498 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.251 303 E C -0.998 175.522 176.600 -0.133 0.000 0.910 303 E CA -1.063 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.860 31.519 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.200 117.432 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.301 175.713 175.510 -0.164 0.000 1.242 304 N CA -0.215 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.443 39.902 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.233 122.985 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 305 A C 0.506 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.198 53.176 52.037 -0.099 0.000 0.620 305 A CB -0.520 18.450 19.000 -0.050 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.611 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 -0.000 0.000 0.277 306 E C -2.747 173.689 176.600 -0.273 0.000 0.999 306 E CA -2.380 53.935 56.400 -0.142 0.000 0.827 306 E CB 0.484 30.141 29.700 -0.072 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.011 177.300 -0.394 0.000 1.243 307 P CA 0.148 63.000 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.595 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 -0.000 0.000 0.333 308 F C 1.371 177.173 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.365 39.362 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.555 116.390 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.024 174.687 174.600 0.105 0.000 0.956 309 S CA -0.073 58.202 58.200 0.124 0.000 0.961 309 S CB -0.482 62.777 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.836 120.828 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 310 V C -2.881 173.244 176.094 0.052 0.000 1.639 310 V CA -1.888 60.452 62.300 0.066 0.000 1.006 310 V CB 2.109 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.573 nan 4.420 nan 0.000 0.271 311 P C -1.145 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.162 63.266 63.100 0.006 0.000 0.776 311 P CB 0.483 32.188 31.700 0.008 0.000 0.881 312 L N 3.143 124.280 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.307 44.053 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.098 176.153 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.120 32.787 31.700 -0.055 0.000 0.925 314 T N 1.672 116.214 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 -0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.219 62.339 62.100 0.033 0.000 1.119 314 T CB 0.154 69.066 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.790 118.560 115.700 0.117 0.000 2.530 315 S HA 0.461 4.931 4.470 -0.000 0.000 0.322 315 S C 0.406 175.249 174.600 0.404 0.000 1.085 315 S CA -0.858 57.466 58.200 0.206 0.000 1.096 315 S CB 0.736 64.057 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.533 117.203 114.554 0.195 0.000 2.882 316 T HA 0.670 5.020 4.350 -0.000 0.000 0.287 316 T C -0.015 174.477 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.148 70.014 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.722 124.191 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.313 317 A C 0.123 177.525 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.685 52.037 -0.709 0.000 0.774 317 A CB 0.755 18.997 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.333 115.782 114.554 -0.176 0.000 2.744 318 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 318 T C -0.285 174.380 174.700 -0.058 0.000 0.957 318 T CA -0.463 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.109 69.941 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.838 122.710 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 319 V C -0.042 176.032 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.587 34.335 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.945 118.499 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 320 T C -0.495 174.227 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.317 70.202 68.868 0.028 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.212 123.178 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 321 V C 0.119 176.312 176.094 0.165 0.000 1.054 321 V CA -0.812 61.553 62.300 0.107 0.000 0.928 321 V CB 2.173 34.047 31.823 0.084 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.396 117.020 114.554 0.117 0.000 2.879 322 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 322 T C -0.571 174.174 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.655 70.561 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.022 123.976 119.914 0.067 0.000 2.368 323 V HA 0.249 4.369 4.120 -0.000 0.000 0.266 323 V C 0.692 176.770 176.094 -0.027 0.000 1.045 323 V CA -0.705 61.583 62.300 -0.020 0.000 0.899 323 V CB 0.372 32.120 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.689 122.866 120.200 -0.037 0.000 2.392 324 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 324 E C -0.668 175.900 176.600 -0.052 0.000 1.108 324 E CA -0.326 56.054 56.400 -0.034 0.000 0.916 324 E CB 0.737 30.414 29.700 -0.039 0.000 0.989 324 E HN 0.685 nan 8.360 nan 0.000 0.432 325 D N 0.773 121.151 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.676 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.546 53.433 54.000 -0.034 0.000 0.861 325 D CB 1.647 42.441 40.800 -0.010 0.000 1.202 325 D HN 0.113 nan 8.370 nan 0.000 0.453 326 V N 3.641 123.527 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 326 V C -1.181 174.896 176.094 -0.029 0.000 1.061 326 V CA -0.796 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.980 33.766 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.943 122.627 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 327 N C -0.632 174.867 175.510 -0.018 0.000 0.985 327 N CA -0.284 52.756 53.050 -0.017 0.000 0.921 327 N CB 1.718 40.193 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.889 121.086 120.200 -0.004 0.000 2.250 328 E HA 0.638 4.988 4.350 -0.000 0.000 0.265 328 E C -0.159 176.441 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.794 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.010 124.826 122.820 -0.006 0.000 2.507 329 A HA 0.312 4.632 4.320 -0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.728 51.297 52.037 -0.021 0.000 0.768 329 A CB -0.502 18.477 19.000 -0.036 0.000 1.011 329 A HN 0.360 nan 8.150 nan 0.000 0.502 330 P HA 0.661 nan 4.420 nan 0.000 0.284 330 P C -0.902 176.362 177.300 -0.060 0.000 1.292 330 P CA -0.268 62.762 63.100 -0.117 0.000 0.800 330 P CB 0.496 32.060 31.700 -0.226 0.000 1.188 331 F N -2.924 116.926 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.075 174.658 175.800 -0.110 0.000 1.119 331 F CA -1.452 56.418 58.000 -0.216 0.000 0.979 331 F CB 0.261 39.202 39.000 -0.099 0.000 1.266 331 F HN 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.564 121.621 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.143 39.226 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.739 119.403 119.914 0.380 0.000 2.251 333 V HA -0.033 4.087 4.120 -0.000 0.000 0.230 333 V C -1.321 174.953 176.094 0.301 0.000 1.032 333 V CA 0.460 62.975 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.558 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.343 177.300 0.168 0.000 1.309 334 P CA -0.126 63.068 63.100 0.156 0.000 0.739 334 P CB 0.309 32.069 31.700 0.100 0.000 1.454 335 A N -0.173 122.713 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 335 A C -0.800 176.814 177.584 0.049 0.000 1.213 335 A CA -0.571 51.520 52.037 0.089 0.000 0.745 335 A CB 0.003 19.053 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.336 121.266 119.914 0.027 0.000 2.439 336 V HA 0.306 4.426 4.120 -0.000 0.000 0.271 336 V C 0.938 177.041 176.094 0.016 0.000 1.040 336 V CA -0.001 62.309 62.300 0.016 0.000 1.002 336 V CB 0.960 32.781 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.547 120.264 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.823 175.451 174.600 0.047 0.000 1.359 337 S CA -0.493 57.729 58.200 0.038 0.000 0.974 337 S CB -0.179 63.043 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.933 122.460 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 -0.000 0.000 0.206 338 R C 0.030 176.360 176.300 0.051 0.000 1.356 338 R CA 0.650 56.775 56.100 0.041 0.000 1.088 338 R CB -0.145 30.168 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.528 122.475 119.914 0.055 0.000 2.341 339 V HA 0.167 4.287 4.120 -0.000 0.000 0.248 339 V C -1.208 174.929 176.094 0.072 0.000 1.107 339 V CA -0.378 61.953 62.300 0.052 0.000 1.069 339 V CB 0.322 32.170 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.706 124.129 120.400 0.039 0.000 2.416 340 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 340 D C -0.151 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.283 41.988 40.800 -0.159 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.808 121.717 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 341 V C 0.040 176.118 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.608 62.300 -0.019 0.000 0.905 341 V CB 2.015 33.837 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.346 119.018 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.951 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.388 58.558 58.200 -0.049 0.000 0.998 342 S CB 1.197 64.367 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.208 120.364 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 343 E C 0.923 177.453 176.600 -0.117 0.000 0.990 343 E CA 1.269 57.603 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.269 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 344 D C 0.300 176.553 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.716 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.239 122.407 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.494 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.559 120.221 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.298 174.867 174.600 -0.052 0.000 1.186 346 S CA -0.780 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.451 63.626 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.878 123.344 120.500 -0.057 0.000 3.501 347 R HA 0.176 4.516 4.340 -0.000 0.000 0.332 347 R C 0.930 177.213 176.300 -0.029 0.000 0.776 347 R CA 1.114 57.187 56.100 -0.046 0.000 1.007 347 R CB -1.333 28.941 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.843 111.628 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.924 173.963 174.900 -0.021 0.000 1.067 348 G CA -0.704 44.386 45.100 -0.018 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.484 349 E N 0.364 120.550 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 349 E C 0.065 176.652 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.486 31.169 29.700 -0.030 0.000 1.208 349 E HN 0.343 nan 8.360 nan 0.000 0.428 350 K N 2.898 123.284 120.400 -0.023 0.000 2.430 350 K HA 0.064 4.384 4.320 -0.000 0.000 0.280 350 K C 0.844 177.432 176.600 -0.020 0.000 1.063 350 K CA 0.398 56.671 56.287 -0.024 0.000 1.071 350 K CB 0.511 32.996 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.473 351 I N 2.979 123.539 120.570 -0.017 0.000 3.098 351 I HA 0.043 4.213 4.170 -0.000 0.000 0.241 351 I C 0.841 176.950 176.117 -0.013 0.000 1.081 351 I CA 0.274 61.570 61.300 -0.008 0.000 1.487 351 I CB 0.364 38.370 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.349 120.208 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 352 I C -0.637 175.445 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.431 39.409 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.292 122.960 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.079 4.470 -0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.719 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.410 63.578 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.344 122.500 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.387 54.840 -0.087 0.000 0.818 354 L CB 0.547 42.543 42.059 -0.105 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.114 116.811 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 -0.000 0.000 0.309 355 V C -0.406 175.815 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.021 32.882 31.823 0.062 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.987 124.965 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 21.298 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.579 120.017 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.743 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.773 31.093 28.738 -0.697 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.988 122.146 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.953 40.800 -0.125 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.171 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.937 64.117 63.100 0.133 0.000 0.938 359 P CB -0.365 31.421 31.700 0.143 0.000 0.777 360 D N 1.582 122.012 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.669 176.985 176.300 0.027 0.000 1.320 360 D CA 0.544 54.565 54.000 0.035 0.000 0.929 360 D CB -0.494 40.317 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.445 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.151 176.764 176.600 0.021 0.000 1.126 361 K CA 0.123 56.425 56.287 0.026 0.000 1.005 361 K CB 0.235 32.752 32.500 0.030 0.000 1.336 361 K HN 0.605 nan 8.250 nan 0.000 0.369 362 Q N 2.684 122.492 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.568 175.434 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.297 175.702 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.847 55.803 -0.003 0.000 1.110 363 Q CB -0.564 28.173 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.873 121.440 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.647 174.465 176.117 -0.008 0.000 1.662 364 I CA -0.336 60.962 61.300 -0.004 0.000 0.785 364 I CB 0.725 38.724 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.059 121.851 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 -0.000 0.000 0.240 365 Q C -1.424 174.559 176.000 -0.029 0.000 0.859 365 Q CA -0.885 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.437 30.160 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.084 122.469 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.887 119.275 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 367 L C -1.011 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.767 53.984 54.840 -0.148 0.000 0.846 367 L CB 1.803 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.525 114.129 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 368 S C -1.290 173.425 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.053 63.200 0.396 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.042 122.489 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 369 Y C -0.427 175.600 175.900 0.211 0.000 1.016 369 Y CA -0.738 57.530 58.100 0.280 0.000 1.196 369 Y CB 0.284 38.837 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.888 122.968 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 370 F C -0.215 175.671 175.800 0.144 0.000 1.076 370 F CA -1.307 56.777 58.000 0.140 0.000 0.928 370 F CB 0.984 40.037 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.350 121.070 120.570 0.250 0.000 3.514 371 I HA 0.704 4.874 4.170 -0.000 0.000 0.300 371 I C 1.077 177.287 176.117 0.156 0.000 1.194 371 I CA -0.305 61.092 61.300 0.160 0.000 0.968 371 I CB 1.242 39.288 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.508 109.363 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.416 175.327 174.900 0.019 0.000 1.420 372 G CA -0.201 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.973 119.671 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.046 175.416 175.510 -0.079 0.000 1.327 373 N CA 1.020 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.413 38.859 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.131 118.200 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.368 173.819 176.300 -0.189 0.000 1.465 374 D CA -0.377 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.180 39.567 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.171 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.100 177.300 -0.541 0.000 1.212 375 P CA 0.323 63.207 63.100 -0.361 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.327 124.781 122.820 -0.610 0.000 2.587 376 A HA -0.071 4.249 4.320 -0.000 0.000 0.235 376 A C 0.664 177.814 177.584 -0.722 0.000 1.044 376 A CA 0.021 51.760 52.037 -0.497 0.000 0.754 376 A CB -0.466 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.742 122.042 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.032 57.050 56.100 -0.137 0.000 0.895 377 R CB -0.221 30.071 30.300 -0.012 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.067 125.343 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.506 177.008 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.162 57.345 -0.049 0.000 2.369 378 W CB -1.220 28.192 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.900 123.309 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 379 L C -0.033 176.887 176.870 0.084 0.000 1.246 379 L CA 0.841 55.780 54.840 0.164 0.000 0.844 379 L CB -0.462 41.692 42.059 0.158 0.000 1.106 379 L HN -0.152 nan 8.230 nan 0.000 0.509 380 T N 0.614 115.197 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 380 T C -0.640 174.057 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.908 70.784 68.868 0.014 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.087 120.991 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 381 V C 0.071 176.135 176.094 -0.049 0.000 1.040 381 V CA -0.936 61.343 62.300 -0.036 0.000 0.913 381 V CB 1.751 33.564 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.396 122.059 118.700 -0.062 0.000 2.414 382 N HA 0.277 5.017 4.740 -0.000 0.000 0.256 382 N C 0.543 176.036 175.510 -0.028 0.000 1.029 382 N CA -0.370 52.648 53.050 -0.053 0.000 0.948 382 N CB 1.614 40.065 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.744 122.133 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 383 K C -0.056 176.702 176.600 0.263 0.000 1.051 383 K CA 0.953 57.274 56.287 0.056 0.000 0.952 383 K CB 0.361 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.139 120.354 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 384 D C 0.229 176.641 176.300 0.187 0.000 1.123 384 D CA 0.327 54.438 54.000 0.186 0.000 0.833 384 D CB 0.181 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.131 118.629 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.072 0.000 0.737 385 N CB 0.817 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.742 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G C -0.435 174.186 174.900 -0.465 0.000 0.861 386 G CA 0.617 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.682 121.096 120.570 -0.260 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.146 176.199 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.129 40.063 38.000 -0.111 0.000 1.242 387 I HN -0.030 nan 8.210 nan 0.000 0.439 388 V N 5.084 124.944 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 -0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.976 32.769 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.647 116.191 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.214 174.922 174.700 0.014 0.000 1.012 389 T CA -0.412 61.683 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.864 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 -0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 -0.000 0.000 0.309 390 G C -0.742 174.158 174.900 0.000 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.807 nan 8.290 nan 0.000 0.518 391 N N 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.575 176.087 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.748 40.259 38.487 0.040 0.000 1.201 391 N HN 0.860 nan 8.380 nan 0.000 0.523 392 G N 0.537 109.320 108.800 -0.029 0.000 2.757 392 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G C -1.027 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.781 117.777 118.700 -0.237 0.000 2.421 393 N HA 0.688 5.428 4.740 -0.000 0.000 0.285 393 N C 0.012 175.222 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.718 39.123 38.487 -0.138 0.000 1.152 393 N HN 0.584 nan 8.380 nan 0.000 0.485 394 L N 1.683 122.576 121.223 -0.549 0.000 2.260 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 394 L C -0.680 175.971 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.515 43.055 42.059 -0.864 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.540 118.695 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.411 176.683 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.597 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.465 121.943 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.934 177.262 176.300 0.046 0.000 1.151 396 R CA 1.622 57.734 56.100 0.020 0.000 0.971 396 R CB 0.227 30.543 30.300 0.027 0.000 0.866 396 R HN 0.280 nan 8.270 nan 0.000 0.447 397 E N -0.680 119.537 120.200 0.029 0.000 2.333 397 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 397 E C 1.266 177.897 176.600 0.051 0.000 1.010 397 E CA 1.352 57.775 56.400 0.037 0.000 0.841 397 E CB 0.094 29.809 29.700 0.024 0.000 0.757 397 E HN 0.231 nan 8.360 nan 0.000 0.508 398 S N -2.498 113.246 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.278 175.922 174.600 0.073 0.000 1.040 398 S CA 0.258 58.500 58.200 0.071 0.000 1.187 398 S CB 0.112 63.341 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.445 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.079 177.662 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.001 0.000 1.048 399 E CB -0.180 29.447 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.071 121.440 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 400 Y C 0.801 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.683 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.938 123.078 119.914 0.377 0.000 2.583 401 V HA -0.192 3.928 4.120 -0.000 0.000 0.302 401 V C 0.565 176.761 176.094 0.169 0.000 1.033 401 V CA 0.548 63.013 62.300 0.275 0.000 1.194 401 V CB 0.076 32.030 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.437 123.919 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.881 177.516 176.600 0.059 0.000 1.089 402 K CA -0.386 55.951 56.287 0.082 0.000 1.162 402 K CB -0.033 32.508 32.500 0.067 0.000 1.585 402 K HN 0.597 nan 8.250 nan 0.000 0.466 403 N N 1.311 120.035 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.323 175.847 175.510 0.023 0.000 1.286 403 N CA 0.282 53.345 53.050 0.022 0.000 0.949 403 N CB 0.137 38.625 38.487 0.001 0.000 1.136 403 N HN 0.131 nan 8.380 nan 0.000 0.550 404 N N -1.280 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.121 4.619 4.740 -0.000 0.000 0.200 404 N C 0.050 175.546 175.510 -0.023 0.000 1.306 404 N CA 0.415 53.452 53.050 -0.022 0.000 0.957 404 N CB -0.062 38.359 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.828 112.737 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.277 405 T C -0.970 173.868 174.700 0.230 0.000 0.973 405 T CA -0.322 61.820 62.100 0.071 0.000 0.949 405 T CB 0.816 69.700 68.868 0.028 0.000 1.075 405 T HN 0.140 nan 8.240 nan 0.000 0.537 406 Y N 0.713 121.048 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 -0.000 0.000 0.316 406 Y C -0.865 175.054 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.393 58.100 0.071 0.000 1.257 406 Y CB 0.652 39.208 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.114 117.363 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.860 173.533 174.700 -0.511 0.000 0.998 407 T CA -0.846 61.041 62.100 -0.353 0.000 0.994 407 T CB 2.134 70.877 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.983 122.714 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.635 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.018 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.000 33.710 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.045 124.567 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.268 175.862 176.117 0.022 0.000 1.025 409 I CA -0.558 60.734 61.300 -0.014 0.000 1.086 409 I CB 1.998 40.006 38.000 0.013 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.445 124.094 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.243 175.326 176.300 0.448 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.637 35.238 32.600 0.001 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.399 121.917 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.205 175.957 176.870 0.486 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.557 44.718 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.406 119.564 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 -0.000 0.000 0.300 412 V C -1.319 174.675 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.015 0.000 0.972 412 V CB 2.387 34.117 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.153 117.606 114.554 -0.168 0.000 2.824 413 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 413 T C -1.098 173.509 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.230 69.947 68.868 -0.251 0.000 0.960 413 T HN 0.982 nan 8.240 nan 0.000 0.441 414 D N 4.105 124.423 120.400 -0.137 0.000 2.374 414 D HA 0.250 4.890 4.640 -0.000 0.000 0.240 414 D C 0.024 176.276 176.300 -0.081 0.000 1.229 414 D CA 0.093 54.029 54.000 -0.106 0.000 0.895 414 D CB 0.369 41.115 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.808 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 415 D C 1.068 177.347 176.300 -0.034 0.000 1.134 415 D CA -0.009 53.965 54.000 -0.043 0.000 1.099 415 D CB 1.489 42.273 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.004 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.870 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.221 46.312 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.481 115.421 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.936 177.016 176.094 -0.024 0.000 1.631 417 V CA 1.534 63.822 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.221 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.521 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.488 174.086 174.600 -0.044 0.000 1.116 418 S CA 0.898 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.406 nan 8.310 nan 0.000 0.649 419 V N 0.026 119.909 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.670 175.381 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.661 33.449 31.823 -0.060 0.000 1.101 419 V HN 1.007 nan 8.190 nan 0.000 0.446 420 G N 0.629 109.374 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.144 44.896 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.444 114.039 114.554 -0.118 0.000 2.916 421 T HA 0.768 5.118 4.350 -0.000 0.000 0.305 421 T C -0.104 174.505 174.700 -0.152 0.000 1.119 421 T CA -0.014 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.961 68.868 -0.104 0.000 1.129 421 T HN 1.531 nan 8.240 nan 0.000 0.480 422 G N 1.695 110.367 108.800 -0.214 0.000 2.845 422 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 422 G C -0.507 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.648 nan 8.290 nan 0.000 0.558 423 T N 1.075 115.581 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.325 61.831 62.100 0.094 0.000 0.997 423 T CB 1.766 70.671 68.868 0.062 0.000 0.917 423 T HN 0.679 nan 8.240 nan 0.000 0.487 424 G N 2.498 111.631 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 424 G C -0.221 174.811 174.900 0.220 0.000 1.369 424 G CA -0.751 44.675 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.208 116.833 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.619 62.100 0.031 0.000 1.049 425 T CB 1.625 70.505 68.868 0.021 0.000 1.001 425 T HN 0.454 nan 8.240 nan 0.000 0.525 426 L N 3.257 124.454 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.294 175.551 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.111 43.124 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.991 127.552 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.131 175.014 176.117 0.047 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.002 0.000 1.225 427 I CB 1.476 39.473 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.009 127.291 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 428 L C -0.846 176.140 176.870 0.194 0.000 0.987 428 L CA -0.759 54.168 54.840 0.145 0.000 0.828 428 L CB 1.448 43.608 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.151 123.266 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.554 174.813 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.843 30.632 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.608 126.749 119.914 0.378 0.000 3.083 430 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 430 V C 0.847 177.087 176.094 0.244 0.000 1.077 430 V CA -0.555 61.882 62.300 0.228 0.000 1.073 430 V CB 1.496 33.412 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.853 122.127 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 -0.000 0.000 0.259 431 L C -0.982 175.902 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.407 42.059 -0.041 0.000 1.380 431 L HN 0.623 nan 8.230 nan 0.000 0.425 432 D N 0.130 120.541 120.400 0.017 0.000 2.163 432 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 432 D C -1.219 175.078 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.891 54.000 0.011 0.000 0.872 432 D CB 1.790 42.605 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.091 122.000 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.314 433 V C -0.162 175.928 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.755 33.563 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.297 119.993 118.700 -0.008 0.000 2.645 434 N HA 0.261 5.001 4.740 -0.000 0.000 0.233 434 N C 0.092 175.600 175.510 -0.003 0.000 1.058 434 N CA -0.120 52.928 53.050 -0.002 0.000 0.942 434 N CB 0.562 39.046 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.229 121.629 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 435 D C 0.177 176.481 176.300 0.006 0.000 0.999 435 D CA 0.834 54.833 54.000 -0.002 0.000 0.915 435 D CB -0.130 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.502 118.700 0.013 0.000 2.207 436 N HA 0.372 5.112 4.740 -0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.374 53.436 53.050 0.021 0.000 0.889 436 N CB 0.213 38.716 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.939 106.886 108.800 0.041 0.000 2.642 437 G HA2 0.532 4.492 3.960 -0.000 0.000 0.293 437 G HA3 0.532 4.492 3.960 -0.000 0.000 0.293 437 G C -2.927 172.027 174.900 0.090 0.000 1.341 437 G CA -1.371 43.766 45.100 0.061 0.000 0.916 437 G HN 0.422 nan 8.290 nan 0.000 0.474 438 P HA 0.160 nan 4.420 nan 0.000 0.266 438 P C -0.598 176.748 177.300 0.077 0.000 1.180 438 P CA 0.161 63.373 63.100 0.186 0.000 0.765 438 P CB 0.989 32.922 31.700 0.389 0.000 0.806 439 V N 3.472 123.401 119.914 0.025 0.000 2.891 439 V HA 0.286 4.406 4.120 -0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.920 60.379 62.300 -0.002 0.000 0.943 439 V CB 2.311 34.137 31.823 0.004 0.000 1.037 439 V HN 0.396 nan 8.190 nan 0.000 0.427 440 P HA 0.200 nan 4.420 nan 0.000 0.271 440 P C 0.693 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.082 63.161 63.100 -0.036 0.000 0.771 440 P CB 0.874 32.562 31.700 -0.020 0.000 0.864 441 S N 4.545 120.230 115.700 -0.026 0.000 2.343 441 S HA 0.024 4.494 4.470 -0.000 0.000 0.212 441 S C -1.289 173.312 174.600 0.001 0.000 1.033 441 S CA 0.660 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.428 60.757 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.467 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.873 177.300 0.067 0.000 1.253 442 P CA -0.489 62.645 63.100 0.058 0.000 0.800 442 P CB 1.042 32.799 31.700 0.095 0.000 0.961 443 R N 0.565 121.060 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 -0.000 0.000 0.223 443 R C -0.316 175.832 176.300 -0.254 0.000 0.899 443 R CA 0.106 56.138 56.100 -0.113 0.000 1.059 443 R CB 0.627 30.863 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.242 121.055 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.542 175.552 176.094 -0.000 0.000 1.071 444 V CA -0.911 61.234 62.300 -0.259 0.000 0.894 444 V CB 1.837 33.565 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.255 121.134 119.950 -0.118 0.000 2.452 445 F HA 0.722 5.249 4.527 -0.000 0.000 0.353 445 F C 0.637 176.393 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.005 58.000 -0.094 0.000 1.080 445 F CB 1.674 40.609 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.777 116.456 114.554 0.207 0.000 3.233 446 T HA 0.230 4.580 4.350 -0.000 0.000 0.324 446 T C -0.392 174.366 174.700 0.098 0.000 0.992 446 T CA -0.536 61.625 62.100 0.102 0.000 1.414 446 T CB 0.312 69.216 68.868 0.061 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.138 120.813 119.600 0.125 0.000 2.197 447 M HA 0.453 4.933 4.480 -0.000 0.000 0.305 447 M C 0.389 176.742 176.300 0.089 0.000 1.162 447 M CA -0.283 55.087 55.300 0.116 0.000 1.099 447 M CB 0.999 33.712 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.253 118.898 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.391 448 c C 1.450 175.579 174.090 0.065 0.000 1.286 448 c CA -0.322 56.042 56.329 0.059 0.000 1.935 448 c CB 1.551 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.500 119.929 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.254 54.000 0.043 0.000 0.950 449 D CB -0.224 40.597 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.024 119.787 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.478 28.265 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.423 118.284 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.826 52.230 53.050 0.011 0.000 0.747 451 N CB 1.610 40.100 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.076 177.300 0.020 0.000 1.193 452 P CA 0.127 63.247 63.100 0.033 0.000 0.765 452 P CB 0.490 32.229 31.700 0.065 0.000 0.823 453 E N 4.274 124.477 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.319 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.572 53.824 56.400 -0.007 0.000 0.893 453 E CB -0.477 29.214 29.700 -0.015 0.000 1.076 453 E HN 0.245 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.457 63.528 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.972 31.700 -0.039 0.000 0.763 455 Q N 3.615 123.298 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 -0.000 0.000 0.249 455 Q C -0.868 174.927 176.000 -0.342 0.000 1.005 455 Q CA -0.380 55.187 55.803 -0.392 0.000 0.912 455 Q CB 0.057 28.297 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.319 125.091 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 -0.000 0.000 0.300 456 V C 0.074 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.133 62.069 62.300 -0.165 0.000 1.095 456 V CB 0.409 32.166 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.440 125.587 121.223 -0.127 0.000 2.465 457 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 457 L C -0.053 176.768 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.721 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.003 114.511 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 -0.000 0.000 0.282 458 T C -0.888 173.730 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.107 0.000 1.020 458 T CB 1.419 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.465 121.919 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 459 I C -0.406 175.620 176.117 -0.152 0.000 1.059 459 I CA -0.523 60.630 61.300 -0.244 0.000 1.055 459 I CB 2.538 40.189 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.541 118.200 115.700 -0.069 0.000 2.548 460 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 460 S C -1.551 173.084 174.600 0.058 0.000 1.129 460 S CA -0.873 57.329 58.200 0.003 0.000 0.931 460 S CB 2.117 65.315 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.036 121.490 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.620 176.957 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.128 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.947 125.796 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 -0.000 0.000 0.209 462 A C 0.702 178.309 177.584 0.038 0.000 1.161 462 A CA 0.447 52.507 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.678 119.747 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 463 D C -0.410 175.915 176.300 0.042 0.000 1.170 463 D CA -0.121 53.901 54.000 0.037 0.000 0.977 463 D CB 1.003 41.822 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.445 121.038 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.568 173.574 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.327 39.354 38.000 0.044 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.728 31.700 0.065 0.000 0.855 466 P HA -0.048 nan 4.420 nan 0.000 0.220 466 P C 0.628 177.964 177.300 0.060 0.000 1.152 466 P CA 1.155 64.281 63.100 0.043 0.000 0.812 466 P CB -0.383 31.307 31.700 -0.015 0.000 0.792 467 N N -0.827 117.891 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.664 176.181 175.510 0.012 0.000 1.074 467 N CA 1.534 54.594 53.050 0.016 0.000 0.951 467 N CB -0.369 38.127 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.861 109.714 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.104 174.787 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.360 68.561 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.131 123.363 120.300 -0.113 0.000 2.452 469 Y HA 0.295 4.845 4.550 -0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.754 57.287 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.294 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.442 0.000 1.181 470 P CA 1.280 64.058 63.100 -0.537 0.000 0.767 470 P CB 0.122 31.422 31.700 -0.665 0.000 0.799 471 Y N 0.754 121.008 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.932 176.834 175.900 0.004 0.000 1.276 471 Y CA -0.076 58.012 58.100 -0.020 0.000 1.418 471 Y CB 1.115 39.559 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.751 121.277 120.400 0.209 0.000 2.690 472 K HA 0.389 4.709 4.320 -0.000 0.000 0.264 472 K C -1.929 174.748 176.600 0.128 0.000 1.040 472 K CA -0.332 56.029 56.287 0.124 0.000 0.946 472 K CB 1.912 34.458 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.859 121.834 119.914 0.102 0.000 2.649 473 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 473 V C 0.058 176.195 176.094 0.072 0.000 1.055 473 V CA -0.204 62.143 62.300 0.078 0.000 1.023 473 V CB 1.577 33.432 31.823 0.053 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.349 120.091 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.972 173.678 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.513 64.752 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.354 123.634 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.572 43.722 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.948 117.724 115.700 0.127 0.000 2.459 476 S HA -0.170 4.300 4.470 -0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.217 59.468 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.003 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.633 118.377 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 -0.000 0.000 0.307 477 H C 1.286 176.663 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.538 29.128 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.648 109.614 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 -0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 -0.000 0.000 0.272 478 G C 0.740 175.809 174.900 0.283 0.000 0.764 478 G CA 0.265 45.525 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.307 115.502 115.700 0.181 0.000 2.575 479 S HA 0.156 4.625 4.470 -0.000 0.000 0.215 479 S C 0.230 174.920 174.600 0.151 0.000 0.966 479 S CA -0.236 58.066 58.200 0.171 0.000 0.911 479 S CB 0.566 63.835 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.005 120.484 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 480 D C -1.022 175.291 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.041 41.852 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.981 122.202 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.338 481 L C -0.577 176.079 176.870 -0.356 0.000 1.275 481 L CA 0.351 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.413 42.556 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.346 114.032 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.986 173.268 174.700 -0.742 0.000 0.963 482 T CA 1.333 63.190 62.100 -0.405 0.000 3.590 482 T CB -1.171 67.454 68.868 -0.404 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.971 123.316 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 -0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.661 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.316 122.915 120.400 0.333 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.353 176.340 176.600 0.155 0.000 0.950 484 K CA -0.567 55.833 56.287 0.189 0.000 0.805 484 K CB 1.509 34.079 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.625 126.516 122.820 0.120 0.000 2.407 485 A HA 0.404 4.724 4.320 -0.000 0.000 0.248 485 A C -0.611 177.003 177.584 0.051 0.000 1.082 485 A CA 0.220 52.304 52.037 0.078 0.000 0.785 485 A CB 0.422 19.467 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.523 120.740 120.200 0.028 0.000 2.388 486 E HA 0.333 4.683 4.350 -0.000 0.000 0.282 486 E C -1.672 174.925 176.600 -0.005 0.000 1.026 486 E CA -0.452 55.957 56.400 0.015 0.000 0.820 486 E CB 1.344 31.052 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.159 122.380 121.223 -0.004 0.000 2.331 487 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 487 L C 0.598 177.456 176.870 -0.020 0.000 1.022 487 L CA -0.866 53.963 54.840 -0.018 0.000 0.812 487 L CB 1.228 43.285 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.531 120.911 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.983 177.270 176.300 -0.021 0.000 1.132 488 D CA 0.139 54.121 54.000 -0.030 0.000 0.907 488 D CB 1.667 42.443 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.980 118.671 115.700 -0.015 0.000 2.345 489 S HA -0.210 4.260 4.470 -0.000 0.000 0.220 489 S C 1.388 175.981 174.600 -0.012 0.000 1.031 489 S CA 0.841 59.036 58.200 -0.009 0.000 0.996 489 S CB -0.160 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.987 122.378 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.297 490 K C 1.304 177.888 176.600 -0.026 0.000 1.064 490 K CA 0.481 56.758 56.287 -0.016 0.000 1.144 490 K CB -1.212 31.280 32.500 -0.014 0.000 1.289 490 K HN 0.567 nan 8.250 nan 0.000 0.372 491 G N 0.082 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.065 175.927 174.900 -0.063 0.000 1.357 491 G CA 1.003 46.080 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.277 115.787 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 492 T C 1.702 176.309 174.700 -0.156 0.000 1.034 492 T CA 2.892 64.919 62.100 -0.122 0.000 1.149 492 T CB -0.672 68.147 68.868 -0.082 0.000 0.860 492 T HN 1.870 nan 8.240 nan 0.000 0.449 493 S N 0.747 116.381 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.211 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.288 64.440 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.581 120.125 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.883 174.379 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.469 34.028 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.783 124.982 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 495 L C -1.042 175.819 176.870 -0.015 0.000 1.046 495 L CA -0.718 54.099 54.840 -0.038 0.000 0.816 495 L CB 1.089 43.136 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.603 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 496 L C -0.344 176.582 176.870 0.093 0.000 1.033 496 L CA 0.511 55.358 54.840 0.012 0.000 0.814 496 L CB 1.315 43.324 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.498 121.326 115.700 0.213 0.000 2.548 497 S HA 0.629 5.099 4.470 -0.000 0.000 0.276 497 S C -2.571 172.205 174.600 0.294 0.000 1.129 497 S CA -0.885 57.456 58.200 0.235 0.000 0.931 497 S CB 2.053 65.316 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.278 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.163 63.131 63.100 -0.219 0.000 0.757 498 P CB 0.439 31.896 31.700 -0.404 0.000 1.377 499 T N -3.827 110.615 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.463 174.162 174.700 -0.126 0.000 0.874 499 T CA -0.038 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.548 68.868 -0.060 0.000 1.215 499 T HN 0.141 nan 8.240 nan 0.000 0.677 500 Q N 0.908 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 500 Q C -0.243 175.668 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.853 30.469 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.373 121.110 119.800 -0.106 0.000 2.282 501 Q HA 0.165 4.505 4.340 -0.000 0.000 0.205 501 Q C 0.057 176.014 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.109 28.817 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.995 123.148 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.179 42.105 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.895 122.254 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.035 176.689 176.600 0.089 0.000 0.963 503 K CA 0.040 56.319 56.287 -0.012 0.000 0.932 503 K CB 0.068 32.532 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.162 122.606 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 -0.000 0.000 0.238 504 K C 0.506 177.183 176.600 0.128 0.000 1.149 504 K CA 0.620 56.962 56.287 0.091 0.000 1.105 504 K CB -1.040 31.492 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.073 111.989 108.800 0.193 0.000 2.860 505 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G C -0.735 174.314 174.900 0.248 0.000 1.439 505 G CA -0.355 44.857 45.100 0.187 0.000 0.879 505 G HN 0.887 nan 8.290 nan 0.000 0.545 506 D N -1.521 118.953 120.400 0.123 0.000 3.478 506 D HA 0.010 4.650 4.640 -0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.776 39.065 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.658 118.639 120.300 -0.005 0.000 2.522 507 Y HA 0.491 5.041 4.550 -0.000 0.000 0.326 507 Y C -0.608 175.255 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.259 38.768 38.460 0.082 0.000 1.342 507 Y HN 0.269 nan 8.280 nan 0.000 0.460 508 S N 4.089 119.769 115.700 -0.033 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.536 58.200 -0.249 0.000 0.990 508 S CB 1.934 64.928 63.200 -0.344 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.404 120.737 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 509 I C -1.969 173.989 176.117 -0.265 0.000 1.094 509 I CA -0.994 60.079 61.300 -0.377 0.000 1.055 509 I CB 1.015 38.553 38.000 -0.769 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.379 126.649 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 510 Y C 0.356 176.245 175.900 -0.019 0.000 1.049 510 Y CA 0.025 58.114 58.100 -0.018 0.000 1.294 510 Y CB 1.003 39.487 38.460 0.039 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.014 124.990 119.914 0.103 0.000 2.850 511 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 511 V C -0.721 175.421 176.094 0.081 0.000 1.064 511 V CA -1.013 61.324 62.300 0.063 0.000 0.979 511 V CB 1.871 33.700 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.886 125.151 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 512 L C -1.383 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.050 43.149 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.882 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.135 176.810 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.074 44.240 42.059 0.178 0.000 1.497 513 L HN 0.743 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.449 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.976 173.576 174.600 -0.079 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.027 65.247 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.594 119.715 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.828 177.034 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.331 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.672 122.820 -0.076 0.000 2.295 516 A HA 0.513 4.833 4.320 -0.000 0.000 0.193 516 A C 1.304 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.030 53.043 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.055 nan 8.150 nan 0.000 0.501 517 Q N -2.935 116.845 119.800 -0.033 0.000 7.952 517 Q HA -0.107 4.234 4.340 -0.000 0.000 0.369 517 Q C 0.539 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.941 119.638 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.016 175.535 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.699 37.790 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.086 115.627 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.515 53.583 53.050 0.031 0.000 0.966 519 N CB -0.934 37.565 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.082 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.943 64.073 63.100 0.050 0.000 0.761 520 P CB 0.350 32.079 31.700 0.049 0.000 0.794 521 Q N 2.624 122.451 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 -0.000 0.000 0.265 521 Q C 0.218 176.247 176.000 0.048 0.000 1.080 521 Q CA 0.293 56.123 55.803 0.045 0.000 0.906 521 Q CB 0.486 29.244 28.738 0.034 0.000 1.227 521 Q HN 0.503 nan 8.270 nan 0.000 0.409 522 L N 1.119 122.377 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 -0.000 0.000 0.220 522 L C 0.321 177.227 176.870 0.061 0.000 1.797 522 L CA -0.131 54.734 54.840 0.043 0.000 2.814 522 L CB 1.851 43.925 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.540 113.034 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 -0.000 0.000 0.268 523 T C -1.629 173.022 174.700 -0.081 0.000 1.406 523 T CA 0.064 62.183 62.100 0.032 0.000 1.078 523 T CB 0.488 69.358 68.868 0.003 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.488 121.291 119.914 -0.186 0.000 2.530 524 V HA 0.791 4.911 4.120 -0.000 0.000 0.282 524 V C -0.484 175.445 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.684 62.300 -0.330 0.000 0.997 524 V CB 0.875 32.484 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.874 124.573 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.020 175.706 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.709 32.346 31.823 -0.311 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.502 120.861 118.700 -0.568 0.000 2.237 526 N HA 0.364 5.104 4.740 -0.000 0.000 0.222 526 N C 0.156 175.180 175.510 -0.811 0.000 1.311 526 N CA 0.522 53.231 53.050 -0.567 0.000 0.880 526 N CB 0.637 38.899 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.226 122.641 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 527 A C -0.627 176.723 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.619 0.000 0.744 527 A CB 0.455 19.063 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.153 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 528 T C 0.137 174.848 174.700 0.017 0.000 0.942 528 T CA 0.011 62.071 62.100 -0.066 0.000 0.997 528 T CB 0.338 69.181 68.868 -0.042 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.651 123.603 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 529 V C 0.344 176.490 176.094 0.087 0.000 1.046 529 V CA -0.951 61.415 62.300 0.110 0.000 0.934 529 V CB 1.312 33.254 31.823 0.198 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.812 119.455 118.600 0.072 0.000 2.985 530 c HA 0.674 5.244 4.570 -0.000 0.000 0.332 530 c C 0.141 174.259 174.090 0.047 0.000 1.164 530 c CA -0.909 55.452 56.329 0.053 0.000 1.347 530 c CB 0.658 43.192 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.070 116.793 115.700 0.038 0.000 2.817 531 S HA 0.299 4.769 4.470 -0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.810 59.029 58.200 0.031 0.000 1.027 531 S CB -0.452 62.762 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.585 121.200 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 -0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.828 43.354 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.225 119.984 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 -0.000 0.000 0.224 533 E C 1.008 177.615 176.600 0.012 0.000 1.068 533 E CA 1.417 57.824 56.400 0.011 0.000 1.043 533 E CB 0.149 29.853 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.319 108.487 108.800 0.010 0.000 3.531 534 G HA2 0.196 4.156 3.960 -0.000 0.000 0.212 534 G HA3 0.196 4.156 3.960 -0.000 0.000 0.212 534 G C -0.260 174.643 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.032 nan 8.290 nan 0.000 0.637 535 K N 1.381 121.784 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 -0.000 0.000 0.269 535 K C 0.112 176.714 176.600 0.003 0.000 0.987 535 K CA -0.613 55.674 56.287 0.000 0.000 0.865 535 K CB 2.138 34.637 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.716 127.533 122.820 -0.004 0.000 2.532 536 A HA -0.048 4.272 4.320 -0.000 0.000 0.269 536 A C 0.030 177.616 177.584 0.004 0.000 1.079 536 A CA 0.460 52.495 52.037 -0.002 0.000 0.800 536 A CB -0.708 18.278 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.652 122.230 120.570 0.014 0.000 2.822 537 I HA 0.413 4.583 4.170 -0.000 0.000 0.312 537 I C 0.533 176.659 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.316 39.325 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.506 123.913 120.400 0.012 0.000 2.401 538 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 538 K C -0.296 176.313 176.600 0.015 0.000 1.018 538 K CA -0.348 55.947 56.287 0.012 0.000 0.981 538 K CB 0.783 33.288 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.908 120.518 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 -0.000 0.000 0.089 539 c C 0.112 174.211 174.090 0.014 0.000 2.614 539 c CA -0.296 56.043 56.329 0.017 0.000 1.724 539 c CB 0.704 43.226 42.510 0.020 0.000 2.453 539 c HN 0.959 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481