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 1q5c_1_D 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 2.188 123.482 121.300 -0.010 0.000 2.289 2 W HA 0.433 5.093 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 0.602 30.053 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.840 121.886 119.914 0.220 0.000 4.690 3 V HA 0.398 4.518 4.120 0.000 0.000 0.267 3 V C -0.004 176.156 176.094 0.111 0.000 1.088 3 V CA -0.396 61.981 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 0.884 121.490 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 0.000 0.000 0.285 4 I C -2.734 173.398 176.117 0.025 0.000 1.123 4 I CA -2.016 59.304 61.300 0.034 0.000 1.059 4 I CB 1.865 39.868 38.000 0.004 0.000 1.229 4 I HN 0.604 nan 8.210 nan 0.000 0.442 5 P HA 0.232 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 62.638 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 0.230 63.336 63.100 0.009 0.000 0.780 6 P CB 0.373 32.082 31.700 0.016 0.000 0.898 7 I N 1.906 122.479 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 0.000 0.000 0.286 7 I C 0.045 176.178 176.117 0.028 0.000 1.007 7 I CA -1.208 60.101 61.300 0.015 0.000 1.167 7 I CB 1.080 39.084 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.798 126.219 120.400 0.034 0.000 2.350 8 K HA 0.551 4.871 4.320 0.000 0.000 0.279 8 K C -0.613 176.018 176.600 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 0.994 120.946 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 0.000 0.000 0.308 9 V C -0.216 175.921 176.094 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 2.168 117.905 115.700 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 -0.631 176.006 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.975 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.768 120.505 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 0.000 0.000 0.251 12 N C -0.750 174.805 175.510 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 0.415 4.765 4.350 0.000 0.000 0.260 13 E C 0.071 176.779 176.600 0.180 0.000 1.101 13 E CA -0.325 56.153 56.400 0.128 0.000 0.907 13 E CB 0.668 30.470 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.195 121.756 120.500 0.102 0.000 2.725 14 R HA 0.445 4.785 4.340 0.000 0.000 0.276 14 R C -1.126 175.136 176.300 -0.064 0.000 1.189 14 R CA 0.317 56.472 56.100 0.091 0.000 1.083 14 R CB 1.073 31.425 30.300 0.086 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 -2.809 171.870 174.900 -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 -1.352 175.675 177.300 -0.454 0.000 1.313 16 P CA -0.141 62.788 63.100 -0.284 0.000 0.787 16 P CB 1.033 32.625 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 -1.009 174.756 175.800 -0.058 0.000 1.094 17 F CA -1.410 56.556 58.000 -0.057 0.000 1.093 17 F CB 0.019 38.984 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 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 -0.362 62.793 63.100 0.090 0.000 0.770 18 P CB 0.544 32.269 31.700 0.041 0.000 1.206 19 K N 0.209 120.614 120.400 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 -0.291 55.963 56.287 -0.055 0.000 0.833 19 K CB 1.175 33.657 32.500 -0.031 0.000 1.208 19 K HN 0.183 nan 8.250 nan 0.000 0.443 20 R N 3.481 123.917 120.500 -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 -0.097 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 2.946 124.254 121.223 0.141 0.000 2.379 21 L HA 0.265 4.605 4.340 0.000 0.000 0.190 21 L C 0.319 177.308 176.870 0.199 0.000 1.111 21 L CA 0.848 55.774 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 -1.550 118.522 119.914 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 3.254 122.821 119.800 -0.388 0.000 2.340 23 Q HA 0.720 5.060 4.340 0.000 0.000 0.268 23 Q C -1.249 174.411 176.000 -0.566 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.921 29.500 28.738 -1.931 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.036 120.279 120.570 -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 -0.917 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.029 39.817 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.582 123.772 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 0.000 0.000 0.251 25 K C -1.269 175.325 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.699 56.287 -0.217 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 1.592 117.412 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 0.000 0.000 0.284 26 S C 0.689 175.356 174.600 0.112 0.000 1.192 26 S CA -0.639 57.667 58.200 0.176 0.000 1.070 26 S CB 0.471 63.813 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.907 121.647 118.700 0.066 0.000 2.353 27 N HA 0.095 4.835 4.740 0.000 0.000 0.185 27 N C 0.895 176.440 175.510 0.058 0.000 1.098 27 N CA -0.215 52.863 53.050 0.047 0.000 0.872 27 N CB 0.012 38.513 38.487 0.024 0.000 0.970 27 N HN 0.413 nan 8.380 nan 0.000 0.467 28 K N 1.142 121.584 120.400 0.069 0.000 2.630 28 K HA -0.034 4.286 4.320 0.000 0.000 0.204 28 K C -0.001 176.658 176.600 0.098 0.000 1.024 28 K CA 0.386 56.717 56.287 0.073 0.000 1.157 28 K CB 0.032 32.569 32.500 0.061 0.000 0.899 28 K HN 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.526 118.929 120.400 0.092 0.000 2.339 29 D HA -0.093 4.547 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 -0.072 53.984 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 -0.582 119.977 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 0.000 0.000 0.238 30 R C 1.356 177.719 176.300 0.106 0.000 1.134 30 R CA 1.109 57.260 56.100 0.084 0.000 0.975 30 R CB -0.324 30.028 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.071 120.029 119.950 0.013 0.000 2.147 31 F HA 0.141 4.668 4.527 0.000 0.000 0.291 31 F C 0.869 176.677 175.800 0.014 0.000 1.093 31 F CA 0.919 58.927 58.000 0.012 0.000 1.263 31 F CB 0.068 39.075 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 52.223 53.050 -0.054 0.000 0.752 32 N CB 1.185 39.775 38.487 0.172 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 4.679 124.602 119.914 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 -0.765 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.090 32.753 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.804 124.967 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 35 Y C -0.573 175.237 175.900 -0.150 0.000 0.961 35 Y CA -0.703 57.355 58.100 -0.071 0.000 1.186 35 Y CB 0.709 39.190 38.460 0.035 0.000 1.139 35 Y HN 0.596 nan 8.280 nan 0.000 0.494 36 Y N 4.537 124.804 120.300 -0.055 0.000 2.336 36 Y HA 0.376 4.926 4.550 0.000 0.000 0.335 36 Y C 0.712 176.596 175.900 -0.027 0.000 1.046 36 Y CA -0.047 58.047 58.100 -0.011 0.000 1.198 36 Y CB 0.940 39.376 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.061 119.930 115.700 0.283 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 0.664 121.387 120.570 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 1.999 40.055 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.429 117.088 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 0.000 0.000 0.295 39 T C -0.265 174.498 174.700 0.104 0.000 1.075 39 T CA -0.130 62.070 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.645 nan 8.240 nan 0.000 0.498 40 G N 0.541 109.397 108.800 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 -1.611 173.329 174.900 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 -0.063 119.763 119.800 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 1.247 57.062 55.803 0.020 0.000 0.890 41 Q CB 1.087 29.783 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.364 110.255 108.800 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 0.437 175.536 174.900 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 0.768 123.717 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 4.320 0.000 0.000 0.206 43 A C 1.775 179.434 177.584 0.124 0.000 2.224 43 A CA 1.499 53.644 52.037 0.181 0.000 1.378 43 A CB -0.301 18.784 19.000 0.141 0.000 1.222 43 A HN 0.608 nan 8.150 nan 0.000 0.419 44 D N -0.322 120.140 120.400 0.103 0.000 2.346 44 D HA 0.039 4.679 4.640 0.000 0.000 0.206 44 D C -0.247 176.090 176.300 0.061 0.000 1.001 44 D CA 0.024 54.072 54.000 0.080 0.000 0.871 44 D CB -0.416 40.432 40.800 0.080 0.000 0.943 44 D HN 0.193 nan 8.370 nan 0.000 0.518 45 N N 1.440 120.177 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.426 53.050 0.042 0.000 0.961 45 N CB 1.039 39.547 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 -0.196 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 31.739 31.700 -0.053 0.000 0.840 48 Q N 2.068 121.883 119.800 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 0.142 55.967 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 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.161 109.983 108.800 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 0.422 175.269 174.900 -0.089 0.000 1.018 49 G CA 0.163 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.359 118.475 119.914 -0.134 0.000 2.649 50 V HA 0.344 4.464 4.120 0.000 0.000 0.248 50 V C 0.975 176.582 176.094 -0.812 0.000 1.054 50 V CA 1.499 63.494 62.300 -0.508 0.000 1.073 50 V CB -0.379 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 0.410 120.330 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 0.000 0.000 0.316 51 F C 0.129 175.938 175.800 0.014 0.000 1.076 51 F CA -1.222 56.762 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 1.790 122.409 120.500 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 2.454 32.823 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.686 121.346 120.570 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 40.465 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.123 128.395 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 0.000 0.000 0.275 54 E C 0.480 177.067 176.600 -0.022 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.189 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 4.105 125.336 121.300 -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 1.513 58.635 57.345 -0.371 0.000 1.230 55 W CB -0.391 28.453 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.513 120.277 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 0.000 0.000 0.199 56 E C 2.323 178.812 176.600 -0.185 0.000 0.978 56 E CA 1.428 57.489 56.400 -0.565 0.000 0.912 56 E CB 0.128 29.130 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.792 110.665 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 0.000 0.000 0.245 57 T C 1.493 176.012 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.618 69.516 68.868 0.050 0.000 0.884 57 T HN 0.188 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.081 108.800 -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 -0.311 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.205 45.100 -0.601 0.000 0.677 58 G HN 0.543 nan 8.290 nan 0.000 0.512 59 W N -0.167 121.036 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 0.000 0.000 0.322 59 W C 0.667 177.152 176.519 -0.057 0.000 1.160 59 W CA -0.900 56.383 57.345 -0.103 0.000 1.218 59 W CB 1.130 30.543 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.325 124.105 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 0.000 0.000 0.334 60 M C -1.310 175.117 176.300 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 33.615 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.611 124.948 121.223 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 1.862 43.976 42.059 0.091 0.000 1.370 61 L HN 0.426 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 0.669 176.731 176.094 -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 6.471 120.864 114.554 -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 0.870 62.842 62.100 -0.214 0.000 1.125 63 T CB -0.154 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 -0.876 0.000 1.026 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.901 64 R CB 0.241 30.163 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 -0.968 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.193 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.599 120.609 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 0.000 0.000 0.258 66 L C -0.634 176.279 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.977 44.068 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.359 120.107 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 0.000 0.000 0.250 67 D C 0.826 177.203 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.556 42.399 40.800 0.072 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.556 123.125 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 0.000 0.000 0.238 68 R C 0.903 177.248 176.300 0.076 0.000 1.134 68 R CA 1.224 57.397 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 0.689 120.917 120.200 0.047 0.000 2.209 69 E HA -0.187 4.163 4.350 0.000 0.000 0.196 69 E C 1.661 178.245 176.600 -0.026 0.000 0.993 69 E CA 1.632 58.038 56.400 0.010 0.000 0.819 69 E CB 0.024 29.729 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.423 118.776 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 0.000 0.000 0.190 70 E C -0.388 176.059 176.600 -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 -0.841 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.635 40.010 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.100 121.600 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 0.000 0.000 0.214 72 D C 0.027 176.441 176.300 0.190 0.000 1.063 72 D CA 0.209 54.306 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 -0.922 119.601 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 0.000 0.000 0.278 73 K C -2.147 174.537 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.217 33.780 32.500 0.106 0.000 1.434 73 K HN -0.153 nan 8.250 nan 0.000 0.410 74 Y N -0.066 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 0.000 0.000 0.347 74 Y C -0.816 175.027 175.900 -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 40.819 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.235 124.181 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 0.000 0.000 0.306 75 V C -0.792 175.292 176.094 -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 2.485 123.678 121.223 -0.050 0.000 2.350 76 L HA 0.721 5.061 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 -0.601 54.207 54.840 -0.052 0.000 0.821 76 L CB 2.389 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 0.482 116.151 115.700 -0.052 0.000 2.478 77 S HA 0.617 5.087 4.470 0.000 0.000 0.312 77 S C -0.572 173.840 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.575 58.200 -0.129 0.000 1.081 77 S CB 1.153 64.331 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.698 120.167 115.700 -0.385 0.000 2.525 78 S HA 0.688 5.158 4.470 0.000 0.000 0.290 78 S C -0.823 173.434 174.600 -0.571 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 0.232 119.382 119.070 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 55.085 56.048 0.137 0.000 1.146 79 H CB 2.054 31.885 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.592 124.564 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 0.000 0.000 0.279 80 A C -0.558 177.062 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.366 19.420 19.000 0.091 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.639 120.588 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 0.000 0.000 0.318 81 V C 0.418 176.539 176.094 0.044 0.000 1.085 81 V CA -0.230 62.100 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.563 116.291 115.700 0.046 0.000 2.652 82 S HA 0.404 4.874 4.470 0.000 0.000 0.270 82 S C 0.681 175.318 174.600 0.061 0.000 1.243 82 S CA -0.388 57.857 58.200 0.076 0.000 0.999 82 S CB 1.361 64.626 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.032 122.279 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 0.000 0.000 0.193 83 E C 2.056 178.672 176.600 0.026 0.000 0.989 83 E CA 1.510 57.935 56.400 0.042 0.000 0.800 83 E CB -0.698 29.033 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.049 118.790 118.700 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 1.690 54.772 53.050 0.053 0.000 0.863 84 N CB -0.011 38.533 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.066 107.738 108.800 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 1.749 117.449 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 0.000 0.000 0.283 86 S C -2.379 172.225 174.600 0.006 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 0.159 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 0.643 32.361 31.700 0.029 0.000 0.923 88 V N -0.163 119.777 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 0.000 0.000 0.240 88 V C 0.469 176.590 176.094 0.046 0.000 1.222 88 V CA 0.874 63.196 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.865 121.106 120.200 0.068 0.000 2.212 89 E HA 0.505 4.855 4.350 0.000 0.000 0.268 89 E C -0.925 175.723 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.333 32.082 29.700 0.081 0.000 1.172 89 E HN 0.216 nan 8.360 nan 0.000 0.409 90 E N 2.741 122.979 120.200 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 0.139 29.867 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.061 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.540 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 0.377 119.927 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 0.000 0.000 0.281 92 M C -0.300 175.958 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.740 55.300 -0.054 0.000 0.954 92 M CB 1.919 34.495 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 0.321 4.671 4.350 0.000 0.000 0.263 93 E C -1.404 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.309 56.687 56.400 -0.036 0.000 0.916 93 E CB 0.864 30.555 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.961 123.500 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 0.000 0.000 0.290 94 I C -0.794 175.285 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.652 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 6.447 120.971 114.554 -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 1.921 70.786 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.967 123.526 120.570 -0.019 0.000 2.499 96 I HA 0.371 4.541 4.170 0.000 0.000 0.288 96 I C -0.684 175.481 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.884 39.819 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.447 124.192 118.700 0.074 0.000 2.400 97 N HA 0.394 5.134 4.740 0.000 0.000 0.288 97 N C -0.797 174.777 175.510 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 3.745 123.741 119.914 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 0.105 4.275 4.170 0.000 0.000 0.284 99 I C 0.901 177.049 176.117 0.051 0.000 1.109 99 I CA 0.171 61.503 61.300 0.055 0.000 1.412 99 I CB 0.271 38.298 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 0.078 4.718 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 0.469 54.490 54.000 0.034 0.000 0.889 100 D CB 0.951 41.766 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.633 121.448 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 0.000 0.000 0.274 101 Q C -0.898 175.110 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.554 30.307 28.738 0.025 0.000 1.342 101 Q HN 0.344 nan 8.270 nan 0.000 0.427 102 N N 1.784 120.489 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 0.000 0.000 0.304 102 N C -0.508 175.005 175.510 0.004 0.000 1.211 102 N CA 0.368 53.419 53.050 0.002 0.000 1.158 102 N CB 0.115 38.600 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.413 118.991 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.038 54.044 54.000 0.009 0.000 0.844 103 D CB 0.006 40.815 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.124 119.824 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 0.000 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.285 40.768 38.487 -0.005 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.877 123.372 120.500 -0.008 0.000 2.490 105 R HA 0.371 4.711 4.340 0.000 0.000 0.278 105 R C -2.050 174.236 176.300 -0.023 0.000 1.069 105 R CA -0.932 55.161 56.100 -0.013 0.000 1.080 105 R CB 0.630 30.932 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.165 nan 4.420 nan 0.000 0.286 106 P C -1.520 175.748 177.300 -0.054 0.000 1.293 106 P CA -0.277 62.776 63.100 -0.078 0.000 0.770 106 P CB 0.668 32.279 31.700 -0.149 0.000 1.206 107 K N -0.422 119.934 120.400 -0.073 0.000 2.561 107 K HA 0.384 4.704 4.320 0.000 0.000 0.254 107 K C -1.148 175.464 176.600 0.021 0.000 0.942 107 K CA -0.572 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 2.169 122.195 119.950 0.127 0.000 2.518 108 F HA 0.034 4.561 4.527 0.000 0.000 0.359 108 F C 1.961 177.882 175.800 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 1.220 116.046 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 0.000 0.000 0.268 109 T C 0.684 175.444 174.700 0.101 0.000 1.041 109 T CA 1.545 63.806 62.100 0.268 0.000 1.159 109 T CB -0.159 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 -0.383 119.378 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 0.000 0.000 0.266 110 Q C 0.335 176.226 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.913 55.803 -0.360 0.000 0.890 110 Q CB 0.999 29.172 28.738 -0.942 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 0.000 0.000 0.206 111 D C -0.599 175.638 176.300 -0.105 0.000 1.001 111 D CA 0.343 54.296 54.000 -0.078 0.000 0.871 111 D CB 0.789 41.556 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.796 117.992 119.914 -0.210 0.000 2.823 112 V HA 0.468 4.588 4.120 0.000 0.000 0.296 112 V C -0.995 174.969 176.094 -0.217 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.711 32.491 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.352 122.257 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 0.000 0.000 0.330 113 F C 0.744 176.508 175.800 -0.060 0.000 1.082 113 F CA -0.674 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.131 41.097 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 -0.457 175.868 176.300 0.042 0.000 0.996 114 R CA -1.115 55.016 56.100 0.052 0.000 0.961 114 R CB 2.251 32.562 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 0.571 nan 8.290 nan 0.000 0.482 116 S N -1.616 114.097 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.645 64.868 63.200 0.037 0.000 1.115 116 S HN 1.670 nan 8.310 nan 0.000 0.461 117 V N 0.415 120.372 119.914 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 -1.179 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 1.127 121.665 120.500 0.064 0.000 2.410 118 R HA 0.313 4.653 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 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.197 31.526 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.811 123.055 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 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 1.510 57.955 56.400 0.076 0.000 0.804 119 E CB -0.178 29.575 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.880 108.800 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 0.788 175.703 174.900 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 -2.178 117.751 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 4.120 0.000 0.000 0.305 121 V C -0.073 176.022 176.094 0.002 0.000 1.096 121 V CA -0.860 61.449 62.300 0.016 0.000 1.130 121 V CB 0.917 32.753 31.823 0.021 0.000 1.048 121 V HN 0.250 nan 8.190 nan 0.000 0.484 122 Q N 2.838 122.638 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 0.000 0.000 0.246 122 Q C -2.352 173.638 176.000 -0.018 0.000 0.920 122 Q CA -1.840 53.957 55.803 -0.009 0.000 0.895 122 Q CB 1.315 30.050 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 0.717 63.793 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 1.472 110.261 108.800 -0.018 0.000 2.145 124 G HA2 -0.131 3.829 3.960 0.000 0.000 0.176 124 G HA3 -0.131 3.829 3.960 0.000 0.000 0.176 124 G C -0.127 174.774 174.900 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 0.813 115.372 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 0.000 0.000 0.281 125 T C 0.204 174.922 174.700 0.030 0.000 0.982 125 T CA -0.328 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 3.506 123.319 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 0.000 0.000 0.273 126 Q C 0.283 176.295 176.000 0.021 0.000 1.051 126 Q CA -0.156 55.658 55.803 0.018 0.000 0.901 126 Q CB 0.803 29.545 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.793 124.719 119.914 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 0.402 62.708 62.300 0.011 0.000 1.286 127 V CB 0.317 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.204 119.772 119.600 -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 1.414 33.959 32.600 -0.093 0.000 1.197 128 M HN 0.537 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 0.646 4.966 4.320 0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.032 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.341 121.017 119.914 -0.396 0.000 2.876 130 V HA 0.821 4.941 4.120 0.000 0.000 0.312 130 V C 0.107 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.368 33.676 31.823 -0.858 0.000 1.017 130 V HN 1.035 nan 8.190 nan 0.000 0.428 131 S N 1.502 117.093 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 0.000 0.000 0.296 131 S C -0.434 174.317 174.600 0.250 0.000 1.104 131 S CA -0.187 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 0.825 123.744 122.820 0.165 0.000 2.549 132 A HA 0.768 5.088 4.320 0.000 0.000 0.291 132 A C -0.920 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.663 19.424 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.198 113.325 114.554 -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 61.499 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 -0.520 119.847 120.400 -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 -0.504 53.467 54.000 -0.049 0.000 0.849 134 D CB 2.665 43.428 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.163 121.351 120.200 -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 -0.058 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 1.179 121.572 120.400 -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 0.148 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 -0.955 119.444 120.400 -0.001 0.000 2.390 137 D HA -0.021 4.619 4.640 0.000 0.000 0.236 137 D C 0.082 176.377 176.300 -0.008 0.000 1.189 137 D CA 0.258 54.257 54.000 -0.001 0.000 0.887 137 D CB 0.163 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 2.011 120.707 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 0.000 0.000 0.262 138 N C -0.049 175.456 175.510 -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 38.548 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 -0.481 175.637 176.117 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 -0.271 120.130 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 0.000 0.000 0.326 140 D C 0.372 176.672 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.686 115.013 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 0.000 0.000 0.306 141 S C 0.079 174.672 174.600 -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 0.984 122.197 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 0.000 0.000 0.246 142 L C 0.769 177.620 176.870 -0.031 0.000 1.153 142 L CA -0.171 54.653 54.840 -0.026 0.000 0.956 142 L CB -0.473 41.569 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.009 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 0.000 0.000 0.187 143 N C 1.488 176.979 175.510 -0.032 0.000 1.056 143 N CA 1.261 54.297 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 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.820 107.958 108.800 -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 -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.103 44.970 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.456 119.416 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 0.000 0.000 0.290 145 V C -0.527 175.482 176.094 -0.143 0.000 1.030 145 V CA -1.179 61.066 62.300 -0.091 0.000 0.881 145 V CB 1.630 33.413 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.819 124.909 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.077 4.340 0.000 0.000 0.267 146 L C 0.380 177.000 176.870 -0.417 0.000 1.033 146 L CA -0.285 54.342 54.840 -0.355 0.000 0.802 146 L CB 1.364 43.101 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.235 115.206 115.700 -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 -0.321 0.000 1.145 147 S CA -0.433 57.583 58.200 -0.307 0.000 1.013 147 S CB 0.403 63.520 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.551 122.831 120.300 -0.034 0.000 2.307 148 Y HA 0.644 5.194 4.550 0.000 0.000 0.324 148 Y C 1.134 177.034 175.900 -0.000 0.000 1.238 148 Y CA -0.085 58.003 58.100 -0.021 0.000 1.280 148 Y CB 1.504 39.947 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.834 116.650 115.700 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 -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.270 64.515 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.897 121.508 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 0.000 0.000 0.298 150 I C -0.792 175.354 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 61.300 0.051 0.000 1.041 150 I CB 2.078 40.102 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 0.920 33.442 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.524 122.382 119.800 0.096 0.000 2.257 153 Q HA 0.314 4.654 4.340 0.000 0.000 0.255 153 Q C -0.461 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.785 55.110 55.803 0.154 0.000 0.927 153 Q CB 1.858 30.734 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.795 123.291 120.400 0.159 0.000 2.325 154 D HA 0.202 4.842 4.640 0.000 0.000 0.262 154 D C -2.055 174.319 176.300 0.124 0.000 1.263 154 D CA -1.433 52.632 54.000 0.108 0.000 1.020 154 D CB 0.059 40.892 40.800 0.055 0.000 1.117 154 D HN 0.510 nan 8.370 nan 0.000 0.545 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.797 176.549 177.300 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 -0.030 120.207 120.200 0.061 0.000 2.401 156 E HA -0.084 4.266 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 0.579 57.005 56.400 0.044 0.000 1.000 156 E CB -0.075 29.646 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.880 118.274 120.200 -0.077 0.000 2.314 157 E HA 0.275 4.625 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 -2.289 53.969 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.208 29.700 -0.153 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.047 nan 4.420 nan 0.000 0.215 158 P C -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.378 64.303 63.100 -0.291 0.000 0.853 158 P CB 0.073 31.641 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 -2.597 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.700 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.625 40.564 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 -1.147 176.126 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.983 63.100 -0.033 0.000 1.270 160 P CB -0.417 31.282 31.700 -0.003 0.000 1.596 161 N N 0.079 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 0.000 0.000 0.303 161 N C 1.003 176.370 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.240 38.682 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 -0.448 0.000 2.201 162 L HA 0.134 4.474 4.340 0.000 0.000 0.212 162 L C -0.311 175.924 176.870 -1.059 0.000 1.105 162 L CA 1.252 55.538 54.840 -0.924 0.000 0.775 162 L CB -0.316 40.820 42.059 -1.540 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.689 117.186 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 0.000 0.000 0.324 163 F C 0.060 175.823 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.404 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 0.426 115.087 114.554 0.179 0.000 2.816 164 T HA 0.743 5.093 4.350 0.000 0.000 0.299 164 T C -1.943 172.793 174.700 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 2.506 123.097 120.570 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 6.131 124.836 118.700 0.007 0.000 2.405 166 N HA 0.141 4.881 4.740 0.000 0.000 0.260 166 N C 0.819 176.383 175.510 0.090 0.000 1.152 166 N CA 0.236 53.304 53.050 0.031 0.000 0.948 166 N CB 0.910 39.403 38.487 0.010 0.000 1.111 166 N HN 0.649 nan 8.380 nan 0.000 0.485 167 R N 2.493 123.055 120.500 0.104 0.000 2.117 167 R HA -0.199 4.141 4.340 0.000 0.000 0.243 167 R C 1.564 177.993 176.300 0.215 0.000 1.143 167 R CA 1.603 57.793 56.100 0.149 0.000 0.968 167 R CB 0.058 30.398 30.300 0.067 0.000 0.863 167 R HN 0.694 nan 8.270 nan 0.000 0.444 168 E N -0.022 120.270 120.200 0.153 0.000 2.060 168 E HA -0.113 4.237 4.350 0.000 0.000 0.189 168 E C 1.670 178.419 176.600 0.248 0.000 0.974 168 E CA 1.570 58.057 56.400 0.145 0.000 0.808 168 E CB 0.218 29.959 29.700 0.070 0.000 0.768 168 E HN 0.408 nan 8.360 nan 0.000 0.453 169 T N -3.498 111.147 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 0.000 0.000 0.255 169 T C 1.500 176.092 174.700 -0.181 0.000 1.085 169 T CA 0.665 62.796 62.100 0.052 0.000 1.109 169 T CB 0.454 69.320 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 -0.273 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 1.092 120.882 119.914 -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 61.802 62.300 -0.139 0.000 1.023 171 V CB 1.625 33.401 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.422 122.937 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.751 4.170 0.000 0.000 0.301 172 I C 0.161 176.278 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.281 61.300 -0.056 0.000 1.127 172 I CB 2.034 39.962 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.937 119.675 115.700 0.062 0.000 2.595 173 S HA 0.512 4.982 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 -0.552 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 2.746 124.041 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 0.000 0.000 0.276 174 L C 0.330 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.619 55.469 54.840 0.016 0.000 0.845 174 L CB 0.057 42.103 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.694 123.182 120.570 -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 0.488 61.725 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 -0.710 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.375 45.359 45.100 -0.193 0.000 1.048 176 G HN 0.257 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 0.077 174.721 174.700 -0.093 0.000 1.078 177 T CA 0.324 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.634 70.463 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.079 110.838 108.800 -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 44.308 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.605 122.833 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 4.340 0.000 0.000 0.272 179 L C -0.283 176.667 176.870 0.133 0.000 1.166 179 L CA 0.163 55.050 54.840 0.078 0.000 0.880 179 L CB 0.911 42.999 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 0.550 176.964 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.521 42.438 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.468 123.044 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 0.000 0.000 0.232 181 R C 0.768 177.097 176.300 0.047 0.000 1.126 181 R CA 1.458 57.615 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 0.167 120.388 120.200 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 57.828 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 0.336 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 -0.383 175.773 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 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 1.536 121.481 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 0.000 0.000 0.365 184 F C -2.092 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.722 56.229 58.000 -0.082 0.000 1.093 184 F CB 1.829 40.770 39.000 -0.099 0.000 1.363 184 F HN -0.094 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 63.875 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 -0.256 119.924 120.200 -0.033 0.000 2.302 186 E HA 0.269 4.619 4.350 0.000 0.000 0.263 186 E C -1.376 175.166 176.600 -0.097 0.000 0.897 186 E CA -0.675 55.728 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 1.271 121.621 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 0.000 0.000 0.324 187 Y C 0.413 176.319 175.900 0.009 0.000 1.190 187 Y CA -0.318 57.826 58.100 0.073 0.000 1.215 187 Y CB 2.008 40.551 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 -0.820 173.915 174.700 0.058 0.000 1.033 188 T CA -0.762 61.375 62.100 0.063 0.000 0.991 188 T CB -0.194 68.693 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.495 121.723 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 0.000 0.000 0.273 189 L C -0.241 176.610 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.416 43.449 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.351 116.896 114.554 -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 -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 70.456 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.534 121.426 119.914 -0.037 0.000 2.994 191 V HA 0.786 4.905 4.120 0.000 0.000 0.318 191 V C -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 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 1.164 121.143 119.800 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 55.332 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 1.775 124.639 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 0.000 0.000 0.311 193 A C -1.067 176.418 177.584 -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 20.878 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.932 115.366 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 0.000 0.000 0.295 194 T C -0.967 173.647 174.700 -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 1.415 121.755 120.400 -0.099 0.000 2.400 195 D HA 0.189 4.829 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 0.076 54.027 54.000 -0.082 0.000 0.889 195 D CB 0.223 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 1.667 122.851 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 0.000 0.000 0.440 196 L C -0.109 176.728 176.870 -0.056 0.000 1.262 196 L CA 0.296 55.106 54.840 -0.051 0.000 0.837 196 L CB -2.047 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 -1.559 118.595 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 0.000 0.000 0.186 197 E C 1.322 177.882 176.600 -0.065 0.000 1.444 197 E CA 0.650 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.530 28.140 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.416 108.334 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 0.000 0.000 0.267 198 G C 0.942 175.817 174.900 -0.040 0.000 0.975 198 G CA 0.889 45.953 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.243 122.553 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.919 4.320 0.000 0.000 0.211 199 A C 2.334 179.903 177.584 -0.025 0.000 1.198 199 A CA 1.729 53.749 52.037 -0.027 0.000 0.657 199 A CB -0.637 18.348 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.012 108.792 108.800 -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 0.117 45.201 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.203 121.410 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 0.000 0.000 0.269 201 L C -0.036 176.820 176.870 -0.024 0.000 1.034 201 L CA -0.695 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 0.065 115.762 115.700 -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 2.213 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 -2.071 117.898 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 0.000 0.000 0.306 203 V C -1.922 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 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 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.887 5.237 4.350 0.000 0.000 0.265 204 E C 0.033 176.533 176.600 -0.166 0.000 0.911 204 E CA 0.015 56.537 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 0.254 108.689 108.800 -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 -1.232 173.446 174.900 -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 -1.412 175.173 176.600 -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 4.033 126.826 122.820 -0.045 0.000 2.371 207 A HA 0.796 5.116 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 0.724 19.662 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.714 123.278 120.570 -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 -0.373 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 -0.131 176.054 176.117 0.114 0.000 0.992 209 I CA -0.558 60.762 61.300 0.035 0.000 1.154 209 I CB 1.502 39.482 38.000 -0.035 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 -1.044 175.027 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.148 55.803 0.094 0.000 0.894 210 Q CB 2.236 31.006 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.805 123.455 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 0.000 0.000 0.287 211 I C 0.580 176.751 176.117 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 4.280 118.878 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 0.000 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.096 62.228 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 -0.656 119.771 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 0.000 0.000 0.247 213 D C -0.865 175.467 176.300 0.054 0.000 0.990 213 D CA -0.508 53.521 54.000 0.049 0.000 0.931 213 D CB 1.791 42.615 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 0.328 4.648 4.320 0.000 0.000 0.296 214 A C -0.298 177.334 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.318 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 -0.049 175.537 175.510 0.128 0.000 1.317 215 N CA 0.232 53.365 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 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 40.918 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.243 118.960 118.700 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 1.469 124.202 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 0.000 0.000 0.329 218 A C -2.489 175.028 177.584 -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 19.282 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 -1.072 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.045 63.030 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 3.221 123.675 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 0.000 0.000 0.287 220 I C -0.291 175.754 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.327 61.300 -0.109 0.000 1.083 220 I CB 1.141 39.128 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.030 125.007 119.950 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 58.450 58.000 0.085 0.000 1.164 221 F CB 0.191 39.264 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.529 124.059 120.400 0.216 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 0.020 177.313 177.300 -0.012 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.219 33.373 31.700 -0.911 0.000 1.377 224 K N -0.765 119.596 120.400 -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 0.732 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 -1.056 113.472 114.554 -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 1.095 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 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 -1.152 113.497 114.554 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 1.579 70.473 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.878 124.719 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 0.000 0.000 0.293 228 A C -1.643 175.967 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.312 20.312 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.632 121.890 121.223 0.058 0.000 2.334 229 L HA 0.864 5.204 4.340 0.000 0.000 0.270 229 L C -0.383 176.548 176.870 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 44.033 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.347 119.610 119.914 0.073 0.000 3.120 230 V HA 0.656 4.776 4.120 0.000 0.000 0.303 230 V C -3.024 173.048 176.094 -0.036 0.000 1.238 230 V CA -2.014 60.337 62.300 0.084 0.000 1.008 230 V CB 2.275 34.164 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 -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.911 33.463 31.700 -0.247 0.000 1.046 232 E N 1.916 121.998 120.200 -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 -0.012 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 1.270 121.401 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 0.000 0.000 0.203 234 E C 0.572 177.130 176.600 -0.070 0.000 0.995 234 E CA -0.191 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 0.778 121.299 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 0.000 0.000 0.341 235 I C -0.024 176.094 176.117 0.001 0.000 1.151 235 I CA 1.344 62.622 61.300 -0.038 0.000 1.496 235 I CB 0.210 38.171 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.837 115.675 108.800 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 0.175 0.000 2.080 236 G CA -0.249 44.893 45.100 0.070 0.000 0.896 236 G HN 1.202 nan 8.290 nan 0.000 0.514 237 F N 1.275 121.203 119.950 -0.037 0.000 2.665 237 F HA 0.699 5.226 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 40.575 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 -0.772 0.000 2.463 238 E HA 0.097 4.447 4.350 0.000 0.000 0.248 238 E C 0.238 176.184 176.600 -1.090 0.000 1.106 238 E CA -0.006 55.941 56.400 -0.756 0.000 0.946 238 E CB 1.140 30.580 29.700 -0.433 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 0.318 176.256 176.094 -0.260 0.000 1.036 239 V CA 1.840 63.901 62.300 -0.399 0.000 1.008 239 V CB 0.215 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 -0.668 118.991 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.079 55.803 -0.176 0.000 0.820 240 Q CB 1.747 30.394 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.360 121.774 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 0.000 0.000 0.272 241 R C -0.940 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.070 31.334 30.300 -0.061 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.027 121.159 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 0.000 0.000 0.264 242 L C -0.490 176.462 176.870 0.137 0.000 1.008 242 L CA -0.459 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 0.666 116.547 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 0.000 0.000 0.301 243 S C -0.675 174.005 174.600 0.134 0.000 1.092 243 S CA -0.710 57.593 58.200 0.173 0.000 1.048 243 S CB 2.204 65.493 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.061 118.850 119.914 -0.006 0.000 3.258 244 V HA 0.951 5.071 4.120 0.000 0.000 0.299 244 V C -1.200 174.821 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.254 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.334 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 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 0.000 0.000 0.337 245 T C -0.993 173.664 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.741 69.616 68.868 0.011 0.000 1.018 245 T HN 1.081 nan 8.240 nan 0.000 0.473 246 D N 2.122 122.452 120.400 -0.117 0.000 2.312 246 D HA 0.334 4.974 4.640 0.000 0.000 0.248 246 D C 0.299 176.675 176.300 0.127 0.000 1.086 246 D CA -0.693 53.280 54.000 -0.045 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 1.989 123.286 121.223 0.122 0.000 2.766 247 L HA 0.174 4.514 4.340 0.000 0.000 0.242 247 L C 0.837 177.790 176.870 0.137 0.000 1.136 247 L CA -0.120 54.800 54.840 0.134 0.000 0.933 247 L CB 0.017 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.419 120.084 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 0.000 0.000 0.266 248 D C 0.393 176.759 176.300 0.109 0.000 1.243 248 D CA -0.269 53.809 54.000 0.130 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.055 nan 8.370 nan 0.000 0.541 249 M N 1.126 120.755 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 0.000 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.224 54.038 55.300 -0.062 0.000 1.161 249 M CB 1.208 33.783 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.919 177.763 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.008 0.000 0.762 251 G N -2.433 106.134 108.800 -0.388 0.000 2.708 251 G HA2 -0.056 3.904 3.960 0.000 0.000 0.210 251 G HA3 -0.056 3.904 3.960 0.000 0.000 0.210 251 G C 0.169 175.065 174.900 -0.006 0.000 1.141 251 G CA 0.486 45.494 45.100 -0.154 0.000 0.788 251 G HN 0.301 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 -1.845 172.958 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.155 71.059 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.065 nan 4.420 nan 0.000 0.234 253 P C 0.503 177.847 177.300 0.073 0.000 1.162 253 P CA 0.328 63.473 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 -3.620 119.275 122.820 0.125 0.000 2.465 254 A HA 0.194 4.514 4.320 0.000 0.000 0.255 254 A C 1.111 178.826 177.584 0.217 0.000 1.274 254 A CA -0.270 51.847 52.037 0.134 0.000 0.920 254 A CB -0.804 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 -0.873 120.424 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 0.000 0.000 0.275 255 W C 0.171 176.674 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.459 57.345 -0.013 0.000 1.253 255 W CB 0.677 30.132 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 -0.267 175.615 176.000 -0.196 0.000 0.927 256 Q CA 0.027 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 3.501 126.141 122.820 -0.299 0.000 2.316 257 A HA 0.577 4.897 4.320 0.000 0.000 0.284 257 A C -0.697 176.661 177.584 -0.377 0.000 1.115 257 A CA -0.442 51.346 52.037 -0.414 0.000 0.812 257 A CB 0.939 19.619 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.467 122.089 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 0.000 0.000 0.306 258 V C -0.983 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.112 32.838 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.050 123.345 120.300 -0.007 0.000 2.782 259 Y HA 0.855 5.405 4.550 0.000 0.000 0.329 259 Y C 0.251 176.163 175.900 0.021 0.000 1.192 259 Y CA -1.006 57.105 58.100 0.019 0.000 1.216 259 Y CB 1.301 39.774 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 -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.708 55.661 56.287 0.136 0.000 0.936 260 K CB 0.012 32.569 32.500 0.095 0.000 1.355 260 K HN 0.651 nan 8.250 nan 0.000 0.388 261 I N -0.243 120.371 120.570 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 -0.673 60.656 61.300 0.048 0.000 1.273 261 I CB 1.062 39.087 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.830 123.357 120.500 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 -0.208 30.114 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.428 122.379 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 0.000 0.000 0.297 263 V C -0.543 175.624 176.094 0.122 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.914 33.780 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.061 121.834 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 0.000 0.000 0.235 264 N C 0.982 176.572 175.510 0.133 0.000 1.069 264 N CA -0.117 53.045 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 2.611 122.981 120.200 0.284 0.000 2.160 265 E HA -0.218 4.132 4.350 0.000 0.000 0.237 265 E C 1.177 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.465 59.016 56.400 0.251 0.000 0.950 265 E CB -0.444 29.690 29.700 0.723 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.383 105.814 108.800 -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 0.610 174.805 174.900 -1.175 0.000 1.060 266 G CA 0.212 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.801 nan 8.290 nan 0.000 0.532 267 G N 0.801 109.195 108.800 -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 0.318 175.092 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.292 45.100 -0.259 0.000 0.922 267 G HN 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.765 118.094 119.950 -0.151 0.000 2.963 268 F HA 0.731 5.258 4.527 0.000 0.000 0.321 268 F C 0.019 175.300 175.800 -0.865 0.000 1.234 268 F CA -1.451 56.287 58.000 -0.437 0.000 1.296 268 F CB 0.176 38.874 39.000 -0.503 0.000 0.981 268 F HN -0.036 nan 8.300 nan 0.000 0.507 269 F N 0.761 120.817 119.950 0.177 0.000 2.615 269 F HA 0.404 4.931 4.527 0.000 0.000 0.312 269 F C -0.773 175.045 175.800 0.031 0.000 1.119 269 F CA -1.220 56.821 58.000 0.068 0.000 0.979 269 F CB 1.915 40.942 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.342 121.168 118.700 0.210 0.000 2.229 270 N HA 0.702 5.442 4.740 0.000 0.000 0.298 270 N C -1.924 173.626 175.510 0.066 0.000 1.114 270 N CA -0.538 52.578 53.050 0.109 0.000 0.776 270 N CB 2.363 40.887 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.267 121.857 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 0.000 0.000 0.289 271 I C -0.948 175.172 176.117 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 3.991 118.535 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 0.000 0.000 0.282 272 T C -0.472 174.248 174.700 0.033 0.000 1.020 272 T CA -0.514 61.599 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 1.153 115.754 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 0.000 0.000 0.289 273 T C -1.247 173.486 174.700 0.055 0.000 1.039 273 T CA -0.793 61.376 62.100 0.115 0.000 1.024 273 T CB 1.676 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 0.709 121.137 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 0.000 0.000 0.238 274 D C -2.764 173.568 176.300 0.053 0.000 1.248 274 D CA -2.278 51.745 54.000 0.038 0.000 0.903 274 D CB 2.057 42.872 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 nan 4.420 nan 0.000 0.238 275 P C -0.177 177.210 177.300 0.145 0.000 1.649 275 P CA 0.440 63.621 63.100 0.134 0.000 0.960 275 P CB -0.046 31.726 31.700 0.121 0.000 1.911 276 E N -1.838 118.439 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 0.000 0.000 0.190 276 E C 0.582 177.294 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 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 0.707 116.479 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 0.000 0.000 0.248 277 S C -0.623 173.936 174.600 -0.069 0.000 1.021 277 S CA 0.063 58.331 58.200 0.114 0.000 1.090 277 S CB -1.004 62.251 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.347 120.003 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.493 4.740 0.000 0.000 0.271 278 N C -0.123 175.359 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.917 37.394 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.033 119.765 119.800 -0.005 0.000 2.443 279 Q HA 0.235 4.575 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 0.801 29.536 28.738 -0.005 0.000 1.256 279 Q HN 0.539 nan 8.270 nan 0.000 0.519 280 G N 1.333 110.024 108.800 -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 -0.882 173.799 174.900 -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 3.916 124.329 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 0.000 0.000 0.286 281 I C -0.327 175.672 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.193 0.000 1.197 281 I CB 0.690 38.622 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.977 129.064 121.223 -0.226 0.000 2.343 282 L HA 0.651 4.991 4.340 0.000 0.000 0.275 282 L C -0.191 176.591 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.635 43.544 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.401 113.124 114.554 -0.048 0.000 2.754 283 T HA 0.442 4.792 4.350 0.000 0.000 0.296 283 T C -0.563 174.222 174.700 0.142 0.000 1.205 283 T CA -0.706 61.378 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 0.552 nan 8.240 nan 0.000 0.509 284 T N -0.066 114.533 114.554 0.075 0.000 2.771 284 T HA 0.654 5.004 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 1.282 70.141 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.336 126.075 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 0.000 0.000 0.213 285 A C 1.232 178.789 177.584 -0.045 0.000 1.202 285 A CA 0.517 52.520 52.037 -0.057 0.000 0.607 285 A CB -0.178 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 -0.919 119.447 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 0.000 0.000 0.169 286 K C 0.357 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.027 32.543 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.502 110.260 108.800 -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 -0.366 174.442 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.385 nan 8.290 nan 0.000 0.556 288 L N -1.979 119.122 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 0.000 0.000 0.255 288 L C 0.587 177.354 176.870 -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 -1.375 118.851 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 0.000 0.000 0.292 289 D C -1.084 175.328 176.300 0.187 0.000 1.652 289 D CA -0.134 53.922 54.000 0.093 0.000 0.803 289 D CB 0.264 41.284 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.912 118.042 119.950 0.005 0.000 2.877 290 F HA 0.676 5.203 4.527 0.000 0.000 0.319 290 F C 0.171 175.984 175.800 0.022 0.000 1.174 290 F CA -1.008 57.003 58.000 0.019 0.000 0.903 290 F CB 0.841 39.860 39.000 0.032 0.000 1.357 290 F HN -0.283 nan 8.300 nan 0.000 0.472 291 E N 0.111 120.551 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 0.000 0.000 0.218 291 E C 0.920 177.625 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.618 30.401 29.700 0.138 0.000 1.051 291 E HN 0.644 nan 8.360 nan 0.000 0.487 292 L N -0.089 121.245 121.223 0.185 0.000 2.286 292 L HA 0.296 4.636 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 0.490 55.177 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.569 119.907 120.500 -0.040 0.000 2.668 293 R HA 0.280 4.620 4.340 0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.431 55.762 56.100 0.156 0.000 0.894 293 R CB 2.255 32.523 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.361 120.855 120.400 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 0.969 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 1.640 30.321 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.481 120.810 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 0.000 0.000 0.329 296 Y C -0.826 175.064 175.900 -0.018 0.000 1.101 296 Y CA -0.651 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 2.311 297 V HA 0.523 4.643 4.120 0.000 0.000 0.275 297 V C -0.403 175.715 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.634 32.466 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.215 124.437 121.223 -0.002 0.000 2.350 298 L HA 0.813 5.153 4.340 0.000 0.000 0.260 298 L C -0.909 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.331 44.352 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.408 121.182 119.800 -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 32.030 28.738 -0.031 0.000 1.327 299 Q HN 0.483 nan 8.270 nan 0.000 0.441 300 I N 1.423 121.969 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 0.000 0.000 0.289 300 I C 0.012 176.244 176.117 0.192 0.000 1.026 300 I CA -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.074 40.116 38.000 0.071 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 61.425 62.100 0.254 0.000 1.041 301 T CB 1.942 70.897 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.538 121.549 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 0.000 0.000 0.304 302 V C -0.937 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.570 61.618 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 4.407 124.499 120.200 -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 -1.062 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 -1.202 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 0.000 0.000 0.288 304 N C 0.300 175.711 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.445 39.904 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.232 122.984 122.820 -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 53.175 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.451 19.000 -0.050 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.609 120.732 120.200 -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 0.485 30.142 29.700 -0.073 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 0.147 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 0.364 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 0.555 116.389 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 0.000 0.000 0.223 309 S C 0.025 174.688 174.600 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 0.834 120.826 119.914 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 -1.889 60.451 62.300 0.066 0.000 1.006 310 V CB 2.108 33.947 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 -1.146 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.162 63.266 63.100 0.006 0.000 0.776 311 P CB 0.482 32.187 31.700 0.008 0.000 0.881 312 L N 3.145 124.282 121.223 -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 -1.843 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.308 44.054 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 -1.097 176.154 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.119 32.786 31.700 -0.055 0.000 0.925 314 T N 1.675 116.216 114.554 -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 69.067 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.788 118.558 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 0.000 0.000 0.322 315 S C 0.405 175.248 174.600 0.404 0.000 1.085 315 S CA -0.857 57.466 58.200 0.206 0.000 1.096 315 S CB 0.738 64.059 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.534 117.205 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 0.000 0.000 0.287 316 T C -0.017 174.475 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.151 70.018 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.721 124.191 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 0.000 0.000 0.313 317 A C 0.122 177.524 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.686 52.037 -0.710 0.000 0.774 317 A CB 0.756 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 1.335 115.783 114.554 -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 2.837 122.710 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 0.000 0.000 0.311 319 V C -0.042 176.031 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.588 34.336 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.943 118.497 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 0.000 0.000 0.283 320 T C -0.496 174.226 174.700 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 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.213 123.179 119.914 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 -0.811 61.553 62.300 0.107 0.000 0.928 321 V CB 2.175 34.049 31.823 0.085 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 -0.572 174.173 174.700 0.075 0.000 0.993 322 T CA -0.398 61.764 62.100 0.104 0.000 0.975 322 T CB 1.657 70.564 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.020 123.974 119.914 0.067 0.000 2.368 323 V HA 0.249 4.369 4.120 0.000 0.000 0.266 323 V C 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.705 61.583 62.300 -0.020 0.000 0.899 323 V CB 0.370 32.119 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.689 122.867 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 0.000 0.000 0.259 324 E C -0.667 175.901 176.600 -0.052 0.000 1.108 324 E CA -0.325 56.055 56.400 -0.034 0.000 0.916 324 E CB 0.737 30.413 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.776 121.154 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 0.000 0.000 0.247 325 D C -1.675 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.546 53.433 54.000 -0.034 0.000 0.861 325 D CB 1.646 42.440 40.800 -0.010 0.000 1.202 325 D HN 0.113 nan 8.370 nan 0.000 0.453 326 V N 3.641 123.528 119.914 -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 1.981 33.767 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.942 122.626 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 0.000 0.000 0.271 327 N C -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.756 53.050 -0.017 0.000 0.921 327 N CB 1.717 40.192 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 -0.157 176.443 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.792 30.501 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.008 124.824 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 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 -0.727 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 -0.903 176.361 177.300 -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 -2.925 116.925 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 0.000 0.000 0.312 331 F C -1.076 174.658 175.800 -0.110 0.000 1.119 331 F CA -1.451 56.419 58.000 -0.216 0.000 0.979 331 F CB 0.260 39.201 39.000 -0.099 0.000 1.266 331 F HN 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.565 121.623 119.950 0.180 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 -0.554 57.529 58.000 0.138 0.000 1.301 332 F CB 0.142 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 -0.740 119.402 119.914 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 0.459 62.974 62.300 0.358 0.000 0.997 333 V CB -2.177 29.783 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 -1.058 176.342 177.300 0.168 0.000 1.309 334 P CA -0.126 63.067 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 0.491 4.811 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 51.519 52.037 0.089 0.000 0.745 335 A CB 0.004 19.054 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.337 121.267 119.914 0.027 0.000 2.439 336 V HA 0.305 4.425 4.120 0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA 0.001 62.311 62.300 0.016 0.000 1.002 336 V CB 0.958 32.779 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.547 120.263 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 0.000 0.000 0.215 337 S C 0.822 175.451 174.600 0.047 0.000 1.359 337 S CA -0.494 57.729 58.200 0.038 0.000 0.974 337 S CB -0.177 63.045 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.932 122.459 120.500 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 56.774 56.100 0.041 0.000 1.088 338 R CB -0.144 30.169 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.529 122.476 119.914 0.055 0.000 2.341 339 V HA 0.166 4.286 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 -0.377 61.954 62.300 0.052 0.000 1.069 339 V CB 0.320 32.168 31.823 0.042 0.000 1.177 339 V HN 0.173 nan 8.190 nan 0.000 0.492 340 D N 3.705 124.128 120.400 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 41.987 40.800 -0.159 0.000 1.059 340 D HN 0.499 nan 8.370 nan 0.000 0.512 341 V N 1.808 121.718 119.914 -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 61.609 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 3.348 119.020 115.700 -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 0.387 58.557 58.200 -0.049 0.000 0.998 342 S CB 1.198 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 1.271 57.605 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 -0.051 40.715 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.242 122.409 121.223 -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 -0.213 54.577 54.840 -0.083 0.000 0.878 345 L CB 0.485 42.492 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.562 120.224 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 0.000 0.000 0.282 346 S C 0.298 174.866 174.600 -0.052 0.000 1.186 346 S CA -0.781 57.387 58.200 -0.054 0.000 1.060 346 S CB 0.453 63.628 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.879 123.345 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 4.340 0.000 0.000 0.332 347 R C 0.930 177.212 176.300 -0.029 0.000 0.776 347 R CA 1.114 57.186 56.100 -0.046 0.000 1.007 347 R CB -1.333 28.942 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.843 111.629 108.800 -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 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.510 nan 8.290 nan 0.000 0.484 349 E N 0.363 120.549 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 0.000 0.000 0.270 349 E C 0.064 176.651 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.488 31.170 29.700 -0.030 0.000 1.208 349 E HN 0.343 nan 8.360 nan 0.000 0.428 350 K N 2.895 123.281 120.400 -0.023 0.000 2.430 350 K HA 0.065 4.385 4.320 0.000 0.000 0.280 350 K C 0.843 177.431 176.600 -0.020 0.000 1.063 350 K CA 0.397 56.670 56.287 -0.024 0.000 1.071 350 K CB 0.514 32.998 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.473 351 I N 2.978 123.538 120.570 -0.017 0.000 3.098 351 I HA 0.043 4.213 4.170 0.000 0.000 0.241 351 I C 0.839 176.949 176.117 -0.013 0.000 1.081 351 I CA 0.273 61.568 61.300 -0.008 0.000 1.487 351 I CB 0.365 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 -0.349 120.207 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 0.000 0.000 0.279 352 I C -0.638 175.444 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.432 39.411 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.293 122.961 115.700 -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 -0.720 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.408 63.576 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.345 122.501 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 0.000 0.000 0.265 354 L C -0.315 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.388 54.840 -0.087 0.000 0.818 354 L CB 0.548 42.544 42.059 -0.105 0.000 1.337 354 L HN 0.471 nan 8.230 nan 0.000 0.438 355 V N -3.109 116.816 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 0.000 0.000 0.309 355 V C -0.404 175.817 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.022 32.882 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.985 124.963 122.820 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 0.577 120.015 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 0.000 0.000 0.273 357 Q C -1.743 173.708 176.000 -0.915 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 1.987 122.145 120.400 -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 2.227 42.952 40.800 -0.126 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 0.936 64.116 63.100 0.133 0.000 0.938 359 P CB -0.364 31.422 31.700 0.143 0.000 0.777 360 D N 1.585 122.014 120.400 0.049 0.000 2.899 360 D HA -0.056 4.584 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 0.543 54.563 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 3.025 123.445 120.400 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 0.124 56.426 56.287 0.026 0.000 1.005 361 K CB 0.234 32.752 32.500 0.030 0.000 1.336 361 K HN 0.606 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 0.470 29.213 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.731 121.533 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 0.000 0.000 0.319 363 Q C -0.297 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.566 28.171 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.870 121.437 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 0.000 0.000 0.279 364 I C -1.646 174.466 176.117 -0.008 0.000 1.662 364 I CA -0.337 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.728 38.727 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.064 121.856 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 0.000 0.000 0.240 365 Q C -1.425 174.558 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.438 30.161 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.085 122.470 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 0.000 0.000 0.234 366 K C -0.879 175.686 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.038 33.532 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.886 119.276 121.223 -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 -0.768 53.983 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 -1.291 173.424 174.600 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 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.043 122.489 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 0.000 0.000 0.340 369 Y C -0.427 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.739 57.528 58.100 0.279 0.000 1.196 369 Y CB 0.282 38.836 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.888 122.967 119.950 0.216 0.000 2.546 370 F HA 0.527 5.054 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 -1.306 56.777 58.000 0.140 0.000 0.928 370 F CB 0.984 40.038 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.349 121.069 120.570 0.250 0.000 3.514 371 I HA 0.704 4.874 4.170 0.000 0.000 0.300 371 I C 1.076 177.287 176.117 0.156 0.000 1.194 371 I CA -0.305 61.091 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 0.509 109.363 108.800 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 0.973 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 0.000 0.000 0.242 373 N C -0.043 175.419 175.510 -0.079 0.000 1.327 373 N CA 1.021 54.045 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 0.403 nan 8.380 nan 0.000 0.490 374 D N -2.133 118.198 120.400 -0.115 0.000 2.656 374 D HA 0.147 4.787 4.640 0.000 0.000 0.384 374 D C -2.366 173.820 176.300 -0.189 0.000 1.347 374 D CA -0.375 53.542 54.000 -0.138 0.000 0.970 374 D CB -1.179 39.568 40.800 -0.089 0.000 1.549 374 D HN 0.287 nan 8.370 nan 0.000 0.401 375 P HA 0.171 nan 4.420 nan 0.000 0.271 375 P C 0.123 177.099 177.300 -0.541 0.000 1.212 375 P CA 0.324 63.208 63.100 -0.360 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.326 124.780 122.820 -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 -0.723 0.000 1.044 376 A CA 0.022 51.760 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.416 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.743 122.042 120.500 -0.334 0.000 4.082 377 R HA -0.168 4.172 4.340 0.000 0.000 0.210 377 R C -0.300 176.050 176.300 0.084 0.000 0.488 377 R CA 1.030 57.048 56.100 -0.138 0.000 0.946 377 R CB -0.220 30.072 30.300 -0.013 0.000 0.976 377 R HN 0.834 nan 8.270 nan 0.000 0.301 378 W N 4.070 125.346 121.300 -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 57.161 57.345 -0.049 0.000 2.369 378 W CB -1.220 28.191 29.460 -0.082 0.000 1.412 378 W HN 0.361 nan 8.180 nan 0.000 0.720 379 L N 1.899 123.307 121.223 0.309 0.000 2.516 379 L HA 0.468 4.808 4.340 0.000 0.000 0.288 379 L C -0.034 176.887 176.870 0.084 0.000 1.246 379 L CA 0.842 55.780 54.840 0.164 0.000 0.844 379 L CB -0.463 41.690 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.611 115.194 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 0.000 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.907 70.783 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 0.070 176.135 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.565 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.397 122.060 118.700 -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 1.745 122.134 120.400 -0.019 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 0.954 57.275 56.287 0.055 0.000 0.952 383 K CB 0.360 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 -0.140 120.352 120.400 0.154 0.000 2.358 384 D HA 0.009 4.649 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 0.326 54.438 54.000 0.186 0.000 0.833 384 D CB 0.182 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 -0.131 118.630 118.700 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 0.003 53.010 53.050 -0.072 0.000 0.737 385 N CB 0.818 39.276 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 -0.860 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 0.616 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 0.680 121.093 120.570 -0.260 0.000 2.439 387 I HA 0.297 4.467 4.170 0.000 0.000 0.285 387 I C 0.147 176.200 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.156 0.000 1.091 387 I CB 2.129 40.063 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.085 124.945 119.914 -0.090 0.000 2.348 388 V HA 0.335 4.455 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 0.977 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 1.648 116.193 114.554 -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 0.870 109.675 108.800 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 0.001 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.808 nan 8.290 nan 0.000 0.518 391 N N 0.764 119.484 118.700 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 0.211 53.271 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 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.538 109.321 108.800 -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 -1.026 173.750 174.900 -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 -0.779 117.779 118.700 -0.237 0.000 2.419 393 N HA 0.687 5.427 4.740 0.000 0.000 0.277 393 N C 0.011 175.221 175.510 -0.500 0.000 1.006 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.923 393 N CB 0.717 39.121 38.487 -0.138 0.000 1.140 393 N HN 0.584 nan 8.380 nan 0.000 0.488 394 L N 1.686 122.579 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 0.000 0.000 0.265 394 L C -0.679 175.972 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.516 43.057 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 -0.274 0.000 2.266 395 D HA 0.184 4.824 4.640 0.000 0.000 0.218 395 D C 0.411 176.682 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.833 41.599 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.468 121.945 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 0.000 0.000 0.247 396 R C 0.935 177.263 176.300 0.046 0.000 1.151 396 R CA 1.621 57.733 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 -0.678 119.539 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 0.000 0.000 0.200 397 E C 1.268 177.898 176.600 0.051 0.000 1.010 397 E CA 1.357 57.779 56.400 0.037 0.000 0.841 397 E CB 0.093 29.807 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.502 113.242 115.700 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 58.501 58.200 0.071 0.000 1.187 398 S CB 0.113 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 -0.827 119.444 120.200 0.118 0.000 2.357 399 E HA 0.213 4.563 4.350 0.000 0.000 0.202 399 E C 1.077 177.661 176.600 -0.027 0.000 0.855 399 E CA 0.121 56.521 56.400 -0.000 0.000 1.048 399 E CB -0.180 29.448 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.069 121.438 120.300 0.116 0.000 2.231 400 Y HA 0.116 4.666 4.550 0.000 0.000 0.294 400 Y C 0.800 176.799 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.098 38.684 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.940 123.080 119.914 0.377 0.000 2.583 401 V HA -0.192 3.928 4.120 0.000 0.000 0.302 401 V C 0.566 176.762 176.094 0.169 0.000 1.033 401 V CA 0.548 63.013 62.300 0.275 0.000 1.194 401 V CB 0.074 32.028 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.438 123.921 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 0.000 0.000 0.224 402 K C 0.881 177.517 176.600 0.059 0.000 1.089 402 K CA -0.384 55.952 56.287 0.082 0.000 1.162 402 K CB -0.032 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 1.309 120.034 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 0.000 0.000 0.277 403 N C 0.322 175.846 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.021 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 -1.279 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.121 4.620 4.740 0.000 0.000 0.200 404 N C 0.049 175.545 175.510 -0.024 0.000 1.306 404 N CA 0.415 53.451 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 -1.829 112.737 114.554 0.020 0.000 2.810 405 T HA 0.221 4.571 4.350 0.000 0.000 0.277 405 T C -0.971 173.866 174.700 0.230 0.000 0.973 405 T CA -0.324 61.819 62.100 0.071 0.000 0.949 405 T CB 0.817 69.702 68.868 0.028 0.000 1.075 405 T HN 0.140 nan 8.240 nan 0.000 0.537 406 Y N 0.713 121.047 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 0.000 0.000 0.316 406 Y C -0.867 175.051 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.655 39.212 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.122 117.371 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 0.000 0.000 0.279 407 T C -0.863 173.531 174.700 -0.510 0.000 0.998 407 T CA -0.847 61.041 62.100 -0.353 0.000 0.994 407 T CB 2.132 70.876 68.868 -0.208 0.000 0.960 407 T HN 0.344 nan 8.240 nan 0.000 0.448 408 V N 2.985 122.716 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 0.000 0.000 0.309 408 V C -0.636 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.018 61.135 62.300 -0.244 0.000 0.940 408 V CB 2.001 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.042 124.564 120.570 -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 4.444 124.093 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 0.000 0.000 0.284 410 M C -1.243 175.325 176.300 0.447 0.000 1.275 410 M CA -0.781 54.611 55.300 0.154 0.000 0.811 410 M CB 2.637 35.237 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.402 121.919 121.223 0.490 0.000 2.257 411 L HA 0.952 5.292 4.340 0.000 0.000 0.257 411 L C -1.202 175.960 176.870 0.487 0.000 1.033 411 L CA -1.132 53.985 54.840 0.460 0.000 0.835 411 L CB 2.554 44.715 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.406 119.565 119.914 0.094 0.000 3.000 412 V HA 0.522 4.642 4.120 0.000 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.387 34.117 31.823 -0.154 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.154 117.607 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 0.000 0.000 0.282 413 T C -1.096 173.511 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.229 69.946 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.108 124.426 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 0.000 0.000 0.240 414 D C 0.025 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.096 54.032 54.000 -0.106 0.000 0.895 414 D CB 0.367 41.113 40.800 -0.089 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 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.008 53.966 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 0.869 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.220 46.310 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.475 115.426 119.914 -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 1.535 63.823 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 -1.159 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 0.000 0.000 0.119 418 S C -0.489 174.084 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.076 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.443 63.200 -0.034 0.000 2.079 418 S HN 0.404 nan 8.310 nan 0.000 0.649 419 V N 0.027 119.910 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 0.000 0.000 0.298 419 V C -0.668 175.382 176.094 -0.072 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.449 31.823 -0.059 0.000 1.101 419 V HN 1.008 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 -0.146 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.442 114.041 114.554 -0.118 0.000 2.916 421 T HA 0.767 5.117 4.350 0.000 0.000 0.305 421 T C -0.103 174.505 174.700 -0.152 0.000 1.119 421 T CA -0.014 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.154 70.960 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.696 110.368 108.800 -0.213 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 -0.506 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 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 0.492 175.327 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.095 0.000 0.997 423 T CB 1.766 70.672 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.631 108.800 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 -0.221 174.812 174.900 0.220 0.000 1.369 424 G CA -0.750 44.676 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.212 116.838 114.554 0.119 0.000 2.882 425 T HA 0.570 4.920 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 1.626 70.507 68.868 0.021 0.000 1.001 425 T HN 0.452 nan 8.240 nan 0.000 0.525 426 L N 3.267 124.464 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 0.000 0.000 0.266 426 L C -1.290 175.555 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.108 43.121 42.059 -0.077 0.000 1.232 426 L HN 0.829 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.554 120.570 -0.015 0.000 2.359 427 I HA 0.454 4.624 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 -0.782 60.517 61.300 -0.002 0.000 1.225 427 I CB 1.474 39.471 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.010 127.291 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 0.000 0.000 0.275 428 L C -0.845 176.141 176.870 0.194 0.000 0.987 428 L CA -0.760 54.167 54.840 0.145 0.000 0.828 428 L CB 1.449 43.610 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.265 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.841 30.630 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 0.207 4.327 4.120 0.000 0.000 0.306 430 V C 0.848 177.088 176.094 0.244 0.000 1.077 430 V CA -0.555 61.882 62.300 0.228 0.000 1.073 430 V CB 1.495 33.411 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.855 122.130 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 0.000 0.000 0.259 431 L C -0.981 175.903 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.371 44.406 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.130 120.540 120.400 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 2.094 122.003 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 0.000 0.000 0.314 433 V C -0.160 175.930 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.754 33.562 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.299 119.994 118.700 -0.008 0.000 2.645 434 N HA 0.260 5.000 4.740 0.000 0.000 0.233 434 N C 0.093 175.601 175.510 -0.003 0.000 1.058 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.942 434 N CB 0.561 39.045 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.228 121.628 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 0.000 0.000 0.231 435 D C 0.178 176.481 176.300 0.006 0.000 0.999 435 D CA 0.835 54.834 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.670 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.373 5.113 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 0.373 53.435 53.050 0.021 0.000 0.889 436 N CB 0.213 38.715 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.942 106.883 108.800 0.041 0.000 2.642 437 G HA2 0.531 4.491 3.960 0.000 0.000 0.293 437 G HA3 0.531 4.491 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 43.765 45.100 0.061 0.000 0.916 437 G HN 0.422 nan 8.290 nan 0.000 0.474 438 P HA 0.159 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 0.162 63.374 63.100 0.187 0.000 0.765 438 P CB 0.987 32.920 31.700 0.389 0.000 0.806 439 V N 3.480 123.409 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 0.000 0.000 0.304 439 V C -2.536 173.537 176.094 -0.035 0.000 1.171 439 V CA -1.921 60.378 62.300 -0.003 0.000 0.943 439 V CB 2.311 34.136 31.823 0.004 0.000 1.037 439 V HN 0.395 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 0.083 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 4.544 120.228 115.700 -0.026 0.000 2.343 441 S HA 0.025 4.495 4.470 0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.660 58.849 58.200 -0.017 0.000 1.004 441 S CB -2.426 60.759 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.468 nan 4.420 nan 0.000 0.284 442 P C -0.466 176.874 177.300 0.067 0.000 1.253 442 P CA -0.490 62.644 63.100 0.057 0.000 0.800 442 P CB 1.044 32.801 31.700 0.095 0.000 0.961 443 R N 0.564 121.059 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 0.000 0.000 0.223 443 R C -0.314 175.833 176.300 -0.254 0.000 0.899 443 R CA 0.107 56.140 56.100 -0.112 0.000 1.059 443 R CB 0.627 30.862 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.243 121.057 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 0.000 0.000 0.304 444 V C -0.541 175.553 176.094 -0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.258 0.000 0.894 444 V CB 1.836 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 0.721 5.248 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 1.675 40.610 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.778 116.456 114.554 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 61.626 62.100 0.102 0.000 1.414 446 T CB 0.312 69.217 68.868 0.060 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 1.001 33.714 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 -0.321 56.043 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 -0.502 119.927 120.400 0.049 0.000 2.306 449 D HA -0.042 4.598 4.640 0.000 0.000 0.239 449 D C 1.856 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.253 54.000 0.043 0.000 0.950 449 D CB -0.225 40.596 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.023 119.788 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 450 Q C 0.222 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.282 55.803 0.011 0.000 0.866 450 Q CB -0.479 28.264 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.421 118.286 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 0.000 0.000 0.234 451 N C -2.853 172.667 175.510 0.016 0.000 1.403 451 N CA -0.826 52.230 53.050 0.011 0.000 0.747 451 N CB 1.612 40.102 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 -0.237 177.075 177.300 0.020 0.000 1.193 452 P CA 0.126 63.246 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 4.273 124.476 120.200 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 3.616 123.299 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 0.000 0.000 0.249 455 Q C -0.867 174.928 176.000 -0.342 0.000 1.005 455 Q CA -0.379 55.189 55.803 -0.392 0.000 0.912 455 Q CB 0.057 28.296 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.319 125.092 119.914 -0.236 0.000 2.655 456 V HA 0.215 4.335 4.120 0.000 0.000 0.300 456 V C 0.073 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.135 62.066 62.300 -0.165 0.000 1.095 456 V CB 0.411 32.168 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.436 125.583 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 0.000 0.000 0.257 457 L C -0.052 176.768 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.085 0.000 0.827 457 L CB 2.720 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 0.005 114.513 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 0.000 0.000 0.282 458 T C -0.888 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.420 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 1.466 121.919 120.570 -0.194 0.000 2.689 459 I HA 0.669 4.839 4.170 0.000 0.000 0.299 459 I C -0.406 175.619 176.117 -0.152 0.000 1.059 459 I CA -0.523 60.630 61.300 -0.245 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 2.547 118.206 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 0.000 0.000 0.276 460 S C -1.550 173.085 174.600 0.058 0.000 1.129 460 S CA -0.872 57.329 58.200 0.003 0.000 0.931 460 S CB 2.119 65.317 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.034 121.488 120.400 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 -0.593 53.464 54.000 0.095 0.000 0.848 461 D CB 2.249 43.129 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.945 125.794 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 0.000 0.000 0.209 462 A C 0.701 178.308 177.584 0.038 0.000 1.161 462 A CA 0.448 52.508 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 -0.680 119.745 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 0.000 0.000 0.248 463 D C -0.411 175.914 176.300 0.042 0.000 1.170 463 D CA -0.122 53.900 54.000 0.037 0.000 0.977 463 D CB 1.005 41.823 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.444 121.038 120.570 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 -0.012 31.727 31.700 0.065 0.000 0.855 466 P HA -0.048 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.965 177.300 0.060 0.000 1.152 466 P CA 1.156 64.281 63.100 0.043 0.000 0.812 466 P CB -0.384 31.307 31.700 -0.015 0.000 0.792 467 N N -0.826 117.891 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 0.000 0.000 0.207 467 N C 0.663 176.180 175.510 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 38.126 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.858 109.716 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 0.000 0.000 0.295 468 T C 0.103 174.786 174.700 -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 3.128 123.361 120.300 -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 57.286 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 -0.441 0.000 1.181 470 P CA 1.280 64.058 63.100 -0.537 0.000 0.767 470 P CB 0.121 31.422 31.700 -0.665 0.000 0.799 471 Y N 0.757 121.012 120.300 -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 58.013 58.100 -0.019 0.000 1.418 471 Y CB 1.115 39.558 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 0.388 4.708 4.320 0.000 0.000 0.264 472 K C -1.930 174.747 176.600 0.128 0.000 1.040 472 K CA -0.331 56.030 56.287 0.124 0.000 0.946 472 K CB 1.909 34.455 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.858 121.833 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 0.000 0.000 0.292 473 V C 0.060 176.197 176.094 0.072 0.000 1.055 473 V CA -0.202 62.145 62.300 0.078 0.000 1.023 473 V CB 1.576 33.431 31.823 0.053 0.000 0.992 473 V HN 0.722 nan 8.190 nan 0.000 0.480 474 S N 4.351 120.094 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 0.000 0.000 0.272 474 S C -0.971 173.679 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.511 64.750 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.355 123.636 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 0.000 0.000 0.277 475 L C 1.157 178.104 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.571 43.721 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.946 117.723 115.700 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 1.218 59.469 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.004 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 -0.537 29.129 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 0.264 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 0.155 4.625 4.470 0.000 0.000 0.215 479 S C 0.229 174.920 174.600 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 0.006 120.485 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 0.000 0.000 0.232 480 D C -1.021 175.292 176.300 0.021 0.000 1.334 480 D CA -0.113 53.922 54.000 0.057 0.000 0.909 480 D CB 1.044 41.854 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.981 122.201 121.223 -0.004 0.000 3.635 481 L HA 0.218 4.558 4.340 0.000 0.000 0.338 481 L C -0.578 176.079 176.870 -0.356 0.000 1.275 481 L CA 0.352 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.412 42.555 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.345 114.033 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 0.000 0.000 0.677 482 T C -0.987 173.268 174.700 -0.743 0.000 0.963 482 T CA 1.334 63.191 62.100 -0.406 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 1.973 123.318 121.300 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 1.660 31.190 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.317 122.917 120.400 0.332 0.000 2.541 484 K HA 0.778 5.098 4.320 0.000 0.000 0.250 484 K C -0.351 176.342 176.600 0.155 0.000 0.950 484 K CA -0.567 55.833 56.287 0.189 0.000 0.805 484 K CB 1.508 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 3.626 126.518 122.820 0.120 0.000 2.407 485 A HA 0.403 4.723 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 0.526 120.742 120.200 0.028 0.000 2.388 486 E HA 0.334 4.684 4.350 0.000 0.000 0.282 486 E C -1.671 174.926 176.600 -0.005 0.000 1.026 486 E CA -0.452 55.957 56.400 0.015 0.000 0.820 486 E CB 1.346 31.053 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.158 122.379 121.223 -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 0.527 120.906 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.138 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.669 42.444 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.978 118.669 115.700 -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 0.840 59.035 58.200 -0.009 0.000 0.996 489 S CB -0.161 63.036 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.988 122.379 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 0.000 0.000 0.297 490 K C 1.303 177.887 176.600 -0.026 0.000 1.064 490 K CA 0.480 56.758 56.287 -0.016 0.000 1.144 490 K CB -1.211 31.281 32.500 -0.014 0.000 1.289 490 K HN 0.568 nan 8.250 nan 0.000 0.372 491 G N 0.081 108.863 108.800 -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 1.064 175.926 174.900 -0.063 0.000 1.357 491 G CA 0.999 46.076 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.278 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 0.000 0.000 0.268 492 T C 1.701 176.308 174.700 -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 68.146 68.868 -0.083 0.000 0.860 492 T HN 1.871 nan 8.240 nan 0.000 0.449 493 S N 0.748 116.382 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 0.000 0.000 0.283 493 S C -0.211 174.328 174.600 -0.101 0.000 1.161 493 S CA -1.013 57.122 58.200 -0.108 0.000 0.999 493 S CB 1.289 64.441 63.200 -0.080 0.000 1.039 493 S HN 0.664 nan 8.310 nan 0.000 0.548 494 M N 0.585 120.130 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 0.000 0.000 0.300 494 M C -1.882 174.380 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.468 34.026 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.786 124.984 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 0.000 0.000 0.289 495 L C -1.041 175.820 176.870 -0.015 0.000 1.046 495 L CA -0.718 54.099 54.840 -0.039 0.000 0.816 495 L CB 1.089 43.136 42.059 -0.021 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.404 124.601 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 0.000 0.000 0.289 496 L C -0.343 176.583 176.870 0.093 0.000 1.033 496 L CA 0.512 55.359 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 0.214 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 63.132 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 -3.830 110.613 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 0.000 0.000 0.298 499 T C -0.465 174.160 174.700 -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 68.547 68.868 -0.060 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.910 120.597 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 0.000 0.000 0.276 500 Q C -0.242 175.669 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.854 30.470 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.378 121.115 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 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 0.108 28.816 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 0.930 55.697 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 1.897 122.255 120.400 -0.069 0.000 2.505 503 K HA -0.088 4.232 4.320 0.000 0.000 0.272 503 K C 0.035 176.688 176.600 0.089 0.000 0.963 503 K CA 0.044 56.323 56.287 -0.012 0.000 0.932 503 K CB 0.067 32.531 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.164 122.607 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 0.000 0.000 0.238 504 K C 0.508 177.184 176.600 0.128 0.000 1.149 504 K CA 0.621 56.962 56.287 0.091 0.000 1.105 504 K CB -1.038 31.494 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.075 111.991 108.800 0.193 0.000 2.888 505 G HA2 -0.273 3.687 3.960 0.000 0.000 0.441 505 G HA3 -0.273 3.687 3.960 0.000 0.000 0.441 505 G C -0.735 174.314 174.900 0.247 0.000 1.461 505 G CA -0.355 44.857 45.100 0.187 0.000 0.897 505 G HN 0.887 nan 8.290 nan 0.000 0.547 506 D N -1.521 118.953 120.400 0.123 0.000 3.478 506 D HA 0.011 4.651 4.640 0.000 0.000 0.219 506 D C -0.277 176.141 176.300 0.196 0.000 1.143 506 D CA 1.953 56.001 54.000 0.080 0.000 1.047 506 D CB -1.774 39.066 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.657 118.639 120.300 -0.005 0.000 2.522 507 Y HA 0.490 5.040 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 -0.629 57.472 58.100 0.002 0.000 1.112 507 Y CB 0.258 38.767 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 -0.034 0.000 2.686 508 S HA 0.771 5.241 4.470 0.000 0.000 0.270 508 S C -0.553 173.931 174.600 -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 64.927 63.200 -0.343 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.405 120.738 120.570 -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 -0.995 60.078 61.300 -0.378 0.000 1.055 509 I CB 1.016 38.555 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.378 126.648 120.300 -0.050 0.000 2.436 510 Y HA 0.350 4.900 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 0.023 58.113 58.100 -0.017 0.000 1.294 510 Y CB 1.005 39.488 38.460 0.040 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 61.325 62.300 0.063 0.000 0.979 511 V CB 1.871 33.699 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.890 125.154 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 0.000 0.000 0.264 512 L C -1.382 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.051 43.150 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 -0.134 176.811 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.073 44.239 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.349 114.447 115.700 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 2.028 65.248 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.596 119.714 120.400 -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 -0.332 0.000 0.830 515 D CB 0.058 40.659 40.800 -0.331 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.673 122.820 -0.076 0.000 2.295 516 A HA 0.513 4.833 4.320 0.000 0.000 0.193 516 A C 1.305 178.871 177.584 -0.029 0.000 1.512 516 A CA 1.030 53.044 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 -2.937 116.843 119.800 -0.033 0.000 7.952 517 Q HA -0.106 4.234 4.340 0.000 0.000 0.369 517 Q C 0.540 176.536 176.000 -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 0.940 119.636 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 0.000 0.000 0.230 518 N C 0.015 175.534 175.510 0.014 0.000 1.021 518 N CA 2.079 55.131 53.050 0.003 0.000 1.156 518 N CB -0.701 37.788 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.084 115.629 118.700 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 0.514 53.583 53.050 0.031 0.000 0.966 519 N CB -0.932 37.567 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 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 0.941 64.071 63.100 0.050 0.000 0.761 520 P CB 0.351 32.080 31.700 0.049 0.000 0.794 521 Q N 2.622 122.449 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 0.000 0.000 0.265 521 Q C 0.217 176.246 176.000 0.048 0.000 1.080 521 Q CA 0.294 56.124 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 1.118 122.376 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 0.000 0.000 0.220 522 L C 0.320 177.226 176.870 0.061 0.000 1.797 522 L CA -0.132 54.734 54.840 0.043 0.000 2.814 522 L CB 1.852 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 -1.538 113.036 114.554 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 0.063 62.183 62.100 0.032 0.000 1.078 523 T CB 0.490 69.360 68.868 0.002 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.487 121.290 119.914 -0.186 0.000 2.488 524 V HA 0.791 4.911 4.120 0.000 0.000 0.277 524 V C -0.485 175.445 176.094 -0.275 0.000 1.046 524 V CA -0.419 61.683 62.300 -0.330 0.000 0.986 524 V CB 0.875 32.484 31.823 -0.357 0.000 0.989 524 V HN 0.491 nan 8.190 nan 0.000 0.475 525 V N 4.875 124.574 119.914 -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 0.710 32.346 31.823 -0.310 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 0.365 5.105 4.740 0.000 0.000 0.222 526 N C 0.156 175.179 175.510 -0.811 0.000 1.311 526 N CA 0.519 53.229 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 0.224 122.639 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 0.000 0.000 0.280 527 A C -0.628 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.620 0.000 0.744 527 A CB 0.454 19.062 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.710 117.155 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 0.000 0.000 0.298 528 T C 0.138 174.848 174.700 0.017 0.000 0.942 528 T CA 0.011 62.072 62.100 -0.066 0.000 0.997 528 T CB 0.335 69.178 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 0.345 176.491 176.094 0.087 0.000 1.046 529 V CA -0.951 61.414 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 -0.908 55.452 56.329 0.053 0.000 1.347 530 c CB 0.657 43.191 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.071 116.794 115.700 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 59.028 58.200 0.031 0.000 1.027 531 S CB -0.451 62.763 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.584 121.198 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 0.000 0.000 0.353 532 c C 0.661 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.826 43.352 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.224 119.985 120.200 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 0.148 29.852 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.321 108.485 108.800 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 -0.260 174.644 174.900 0.006 0.000 1.146 534 G CA -0.291 44.815 45.100 0.009 0.000 0.916 534 G HN -0.031 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 0.030 177.617 177.584 0.004 0.000 1.079 536 A CA 0.460 52.496 52.037 -0.002 0.000 0.800 536 A CB -0.709 18.277 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 0.412 4.582 4.170 0.000 0.000 0.312 537 I C 0.534 176.660 176.117 0.016 0.000 1.011 537 I CA -1.121 60.187 61.300 0.013 0.000 1.105 537 I CB 1.315 39.324 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.513 123.920 120.400 0.012 0.000 2.401 538 K HA 0.134 4.454 4.320 0.000 0.000 0.278 538 K C -0.297 176.312 176.600 0.015 0.000 1.018 538 K CA -0.347 55.947 56.287 0.012 0.000 0.981 538 K CB 0.782 33.287 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.911 120.520 118.600 0.015 0.000 2.369 539 c HA 0.314 4.884 4.570 0.000 0.000 0.089 539 c C 0.111 174.209 174.090 0.014 0.000 2.614 539 c CA -0.297 56.042 56.329 0.017 0.000 1.724 539 c CB 0.706 43.228 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