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_C DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.066 0.000 0.688 2 W N 2.189 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 0.000 0.000 0.342 2 W C 0.757 177.266 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.600 30.052 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.836 121.882 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 0.000 0.000 0.267 3 V C -0.003 176.157 176.094 0.111 0.000 1.088 3 V CA -0.393 61.983 62.300 0.127 0.000 0.686 3 V CB 0.314 32.176 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.885 121.492 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 0.000 0.000 0.285 4 I C -2.733 173.399 176.117 0.025 0.000 1.123 4 I CA -2.016 59.305 61.300 0.034 0.000 1.059 4 I CB 1.863 39.866 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.231 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.476 62.639 63.100 0.026 0.000 0.770 5 P CB -0.395 31.323 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.772 177.300 0.011 0.000 1.215 6 P CA 0.229 63.335 63.100 0.009 0.000 0.780 6 P CB 0.373 32.083 31.700 0.016 0.000 0.898 7 I N 1.902 122.476 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 0.000 0.000 0.286 7 I C 0.044 176.177 176.117 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 5.799 126.219 120.400 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 0.995 120.947 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 0.000 0.000 0.308 9 V C -0.216 175.920 176.094 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 33.998 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.169 117.907 115.700 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 -0.315 57.920 58.200 0.059 0.000 1.000 10 S CB 0.968 64.196 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.210 121.448 120.200 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 0.235 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 1.772 120.509 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 0.000 0.000 0.251 12 N C -0.751 174.804 175.510 0.074 0.000 1.031 12 N CA 0.576 53.661 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 0.950 121.213 120.200 0.105 0.000 2.374 13 E HA 0.415 4.765 4.350 0.000 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.326 56.151 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.199 121.759 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 0.000 0.000 0.276 14 R C -1.126 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.470 56.100 0.091 0.000 1.083 14 R CB 1.076 31.427 30.300 0.086 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.556 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 0.000 0.000 0.238 15 G C -2.809 171.870 174.900 -0.368 0.000 1.207 15 G CA -0.571 44.370 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.352 175.676 177.300 -0.454 0.000 1.313 16 P CA -0.141 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.032 32.624 31.700 -0.179 0.000 0.910 17 F N 3.770 123.691 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 0.000 0.000 0.328 17 F C -1.008 174.757 175.800 -0.058 0.000 1.094 17 F CA -1.409 56.557 58.000 -0.057 0.000 1.093 17 F CB 0.017 38.982 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.269 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 -0.363 62.791 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 0.206 120.611 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 0.000 0.000 0.249 19 K C -0.845 175.742 176.600 -0.021 0.000 0.977 19 K CA -0.289 55.965 56.287 -0.055 0.000 0.833 19 K CB 1.173 33.655 32.500 -0.031 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.479 123.916 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 0.000 0.000 0.291 20 R C 0.371 176.687 176.300 0.027 0.000 1.069 20 R CA -0.097 55.945 56.100 -0.098 0.000 1.022 20 R CB 0.549 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 0.318 177.308 176.870 0.199 0.000 1.111 21 L CA 0.849 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 -1.549 118.523 119.914 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 -0.624 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 3.257 122.824 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 0.000 0.000 0.268 23 Q C -1.249 174.412 176.000 -0.566 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.920 29.500 28.738 -1.930 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.035 120.278 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 0.000 0.000 0.300 24 I C -1.327 174.446 176.117 -0.572 0.000 1.017 24 I CA -0.917 60.111 61.300 -0.453 0.000 1.098 24 I CB 2.030 39.818 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.581 123.771 120.400 -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 -0.457 55.699 56.287 -0.217 0.000 0.791 25 K CB 2.251 34.651 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.593 117.413 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 0.000 0.000 0.284 26 S C 0.688 175.355 174.600 0.112 0.000 1.192 26 S CA -0.639 57.666 58.200 0.175 0.000 1.070 26 S CB 0.472 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 2.905 121.645 118.700 0.066 0.000 2.299 27 N HA 0.096 4.836 4.740 0.000 0.000 0.187 27 N C 0.892 176.437 175.510 0.058 0.000 1.099 27 N CA -0.216 52.862 53.050 0.047 0.000 0.867 27 N CB 0.012 38.513 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 0.000 0.000 0.204 28 K C -0.004 176.655 176.600 0.098 0.000 1.024 28 K CA 0.382 56.712 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 -1.531 118.924 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 0.000 0.000 0.217 29 D C 1.551 177.905 176.300 0.090 0.000 1.050 29 D CA -0.074 53.982 54.000 0.094 0.000 0.856 29 D CB 0.184 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.581 119.977 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 0.000 0.000 0.238 30 R C 1.353 177.716 176.300 0.106 0.000 1.134 30 R CA 1.109 57.260 56.100 0.084 0.000 0.975 30 R CB -0.323 30.029 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.067 120.025 119.950 0.013 0.000 2.147 31 F HA 0.143 4.670 4.527 0.000 0.000 0.291 31 F C 0.868 176.676 175.800 0.014 0.000 1.093 31 F CA 0.914 58.921 58.000 0.012 0.000 1.263 31 F CB 0.069 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.551 118.207 118.700 0.096 0.000 3.343 32 N HA 0.223 4.963 4.740 0.000 0.000 0.330 32 N C -1.752 173.778 175.510 0.033 0.000 1.560 32 N CA -0.794 52.224 53.050 -0.054 0.000 0.752 32 N CB 1.185 39.774 38.487 0.171 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.480 120.903 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 0.000 0.000 0.279 33 K C -1.120 175.524 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.652 33.212 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.680 124.603 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 0.000 0.000 0.295 34 V C -0.964 175.028 176.094 -0.170 0.000 1.035 34 V CA -0.766 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.089 32.752 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.801 124.964 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 35 Y C -0.572 175.238 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.355 58.100 -0.071 0.000 1.186 35 Y CB 0.710 39.191 38.460 0.035 0.000 1.139 35 Y HN 0.596 nan 8.280 nan 0.000 0.494 36 Y N 4.539 124.806 120.300 -0.055 0.000 2.336 36 Y HA 0.376 4.926 4.550 0.000 0.000 0.335 36 Y C 0.711 176.595 175.900 -0.027 0.000 1.046 36 Y CA -0.046 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 4.060 119.930 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 0.000 0.000 0.311 37 S C -1.120 173.637 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.435 65.848 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.663 121.386 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 0.000 0.000 0.294 38 I C -1.728 174.507 176.117 0.198 0.000 1.538 38 I CA -0.224 61.184 61.300 0.179 0.000 1.010 38 I CB 1.999 40.056 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.428 117.087 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 0.000 0.000 0.295 39 T C -0.264 174.498 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.543 109.398 108.800 0.093 0.000 2.346 40 G HA2 0.216 4.176 3.960 0.000 0.000 0.294 40 G HA3 0.216 4.176 3.960 0.000 0.000 0.294 40 G C -1.610 173.331 174.900 0.068 0.000 1.294 40 G CA -1.096 44.044 45.100 0.067 0.000 0.962 40 G HN 0.902 nan 8.290 nan 0.000 0.508 41 Q N -0.062 119.764 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 0.000 0.000 0.266 41 Q C 1.305 177.378 176.000 0.122 0.000 0.989 41 Q CA 1.248 57.063 55.803 0.020 0.000 0.890 41 Q CB 1.086 29.781 28.738 -0.072 0.000 1.200 41 Q HN 2.252 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 0.333 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 0.766 123.715 122.820 0.215 0.000 3.152 43 A HA 0.561 4.881 4.320 0.000 0.000 0.206 43 A C 1.775 179.433 177.584 0.124 0.000 2.224 43 A CA 1.498 53.644 52.037 0.181 0.000 1.378 43 A CB -0.300 18.785 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 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 0.000 0.000 0.206 44 D C -0.247 176.089 176.300 0.061 0.000 1.001 44 D CA 0.023 54.071 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 0.192 nan 8.370 nan 0.000 0.518 45 N N 1.443 120.180 118.700 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 1.037 39.546 38.487 0.036 0.000 1.186 45 N HN -0.096 nan 8.380 nan 0.000 0.493 46 P HA 0.049 nan 4.420 nan 0.000 0.260 46 P C -2.349 174.920 177.300 -0.051 0.000 1.172 46 P CA -0.321 62.782 63.100 0.005 0.000 0.760 46 P CB -0.197 31.515 31.700 0.021 0.000 0.773 47 P HA 0.009 nan 4.420 nan 0.000 0.264 47 P C -0.428 176.887 177.300 0.025 0.000 1.236 47 P CA 0.449 63.535 63.100 -0.023 0.000 0.811 47 P CB 0.069 31.737 31.700 -0.053 0.000 0.840 48 Q N 2.067 121.882 119.800 0.024 0.000 2.332 48 Q HA 0.415 4.755 4.340 0.000 0.000 0.263 48 Q C 1.250 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.144 55.970 55.803 0.037 0.000 0.885 48 Q CB 0.381 29.139 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.160 109.982 108.800 0.037 0.000 2.149 49 G HA2 -0.237 3.723 3.960 0.000 0.000 0.235 49 G HA3 -0.237 3.723 3.960 0.000 0.000 0.235 49 G C 0.423 175.270 174.900 -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 -1.356 118.477 119.914 -0.134 0.000 2.649 50 V HA 0.343 4.463 4.120 0.000 0.000 0.248 50 V C 0.976 176.583 176.094 -0.811 0.000 1.054 50 V CA 1.501 63.496 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.039 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.411 120.331 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 0.000 0.000 0.316 51 F C 0.130 175.938 175.800 0.014 0.000 1.076 51 F CA -1.220 56.763 58.000 -0.028 0.000 0.921 51 F CB 1.648 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 1.795 122.414 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 0.000 0.000 0.269 52 R C -2.178 174.215 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.456 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.685 121.346 120.570 0.151 0.000 2.646 53 I HA 0.292 4.462 4.170 0.000 0.000 0.299 53 I C -0.562 175.644 176.117 0.148 0.000 1.036 53 I CA -1.065 60.319 61.300 0.141 0.000 1.074 53 I CB 2.393 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.124 128.396 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 0.000 0.000 0.275 54 E C 0.480 177.067 176.600 -0.023 0.000 1.159 54 E CA -0.359 56.075 56.400 0.056 0.000 0.905 54 E CB 0.188 29.905 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.100 125.332 121.300 -0.115 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 -0.372 0.000 1.230 55 W CB -0.392 28.451 29.460 -1.028 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 1.430 57.490 56.400 -0.565 0.000 0.912 56 E CB 0.128 29.129 29.700 -1.164 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.663 114.554 -0.163 0.000 3.021 57 T HA 0.262 4.612 4.350 0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.581 62.606 62.100 -0.125 0.000 1.139 57 T CB 0.620 69.517 68.868 0.049 0.000 0.884 57 T HN 0.188 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.082 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 0.000 0.000 0.183 58 G C -0.312 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.536 44.203 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.167 121.036 121.300 -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 -0.899 56.384 57.345 -0.104 0.000 1.218 59 W CB 1.129 30.542 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.322 124.102 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 0.000 0.000 0.334 60 M C -1.311 175.117 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.944 33.617 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.610 124.947 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 0.000 0.000 0.260 61 L C -0.928 176.040 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.977 42.059 0.091 0.000 1.370 61 L HN 0.425 nan 8.230 nan 0.000 0.416 62 V N 0.096 120.071 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 4.120 0.000 0.000 0.286 62 V C 0.670 176.733 176.094 -0.052 0.000 1.034 62 V CA 0.347 62.594 62.300 -0.088 0.000 0.893 62 V CB 1.685 33.521 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.474 120.867 114.554 -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 -0.213 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 0.074 120.081 120.500 -0.822 0.000 2.766 64 R HA 0.571 4.911 4.340 0.000 0.000 0.270 64 R C -3.345 172.430 176.300 -0.876 0.000 1.035 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.911 64 R CB 0.240 30.162 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.460 65 P HA 0.152 nan 4.420 nan 0.000 0.270 65 P C -0.968 176.254 177.300 -0.129 0.000 1.223 65 P CA -0.188 62.797 63.100 -0.193 0.000 0.785 65 P CB 0.410 32.068 31.700 -0.070 0.000 0.923 66 L N -0.600 120.608 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 0.000 0.000 0.258 66 L C -0.635 176.278 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.977 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 -0.358 120.108 120.400 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 2.556 123.126 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 0.000 0.000 0.238 68 R C 0.903 177.249 176.300 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 0.688 120.916 120.200 0.047 0.000 2.209 69 E HA -0.187 4.163 4.350 0.000 0.000 0.196 69 E C 1.660 178.245 176.600 -0.026 0.000 0.993 69 E CA 1.631 58.037 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.422 118.776 120.200 -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 0.403 120.730 120.300 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 1.102 121.601 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 0.000 0.000 0.214 72 D C 0.026 176.440 176.300 0.190 0.000 1.063 72 D CA 0.208 54.305 54.000 0.162 0.000 0.847 72 D CB 0.679 41.531 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.919 119.604 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.216 33.780 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.066 120.235 120.300 0.001 0.000 2.553 74 Y HA 0.574 5.124 4.550 0.000 0.000 0.347 74 Y C -0.815 175.027 175.900 -0.096 0.000 1.019 74 Y CA -0.816 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.156 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.232 124.177 119.914 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 1.956 33.781 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 -0.320 176.517 176.870 -0.055 0.000 1.015 76 L CA -0.602 54.207 54.840 -0.053 0.000 0.821 76 L CB 2.389 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.483 116.152 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 0.000 0.000 0.312 77 S C -0.571 173.841 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.152 64.329 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.699 120.167 115.700 -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 0.232 119.381 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 0.000 0.000 0.368 79 H C -0.848 174.590 175.328 0.183 0.000 1.181 79 H CA -1.045 55.086 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 -0.559 177.062 177.584 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 0.090 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.638 120.588 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 0.000 0.000 0.318 81 V C 0.419 176.539 176.094 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 0.562 116.290 115.700 0.046 0.000 2.652 82 S HA 0.404 4.874 4.470 0.000 0.000 0.270 82 S C 0.682 175.319 174.600 0.061 0.000 1.243 82 S CA -0.387 57.858 58.200 0.076 0.000 0.999 82 S CB 1.360 64.624 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.035 122.282 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 0.000 0.000 0.193 83 E C 2.056 178.671 176.600 0.026 0.000 0.989 83 E CA 1.514 57.939 56.400 0.042 0.000 0.800 83 E CB -0.699 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.047 118.787 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 0.000 0.000 0.188 84 N C 1.353 176.870 175.510 0.013 0.000 1.013 84 N CA 1.689 54.771 53.050 0.053 0.000 0.863 84 N CB -0.010 38.534 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.066 107.738 108.800 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 -0.014 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 1.755 117.455 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 nan 4.420 nan 0.000 0.272 87 P C 0.171 177.487 177.300 0.027 0.000 1.223 87 P CA -0.284 62.834 63.100 0.029 0.000 0.784 87 P CB 0.642 32.359 31.700 0.029 0.000 0.923 88 V N -0.171 119.769 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 0.000 0.000 0.240 88 V C 0.468 176.590 176.094 0.046 0.000 1.222 88 V CA 0.873 63.195 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 0.866 121.107 120.200 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 32.081 29.700 0.081 0.000 1.172 89 E HN 0.216 nan 8.360 nan 0.000 0.409 90 E N 2.742 122.979 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 0.000 0.000 0.260 90 E C -2.194 174.449 176.600 0.073 0.000 0.980 90 E CA -1.093 55.346 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 -0.062 nan 4.420 nan 0.000 0.274 91 P C -0.632 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.669 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.375 119.926 119.600 -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 1.922 34.498 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.676 123.853 120.200 -0.039 0.000 2.413 93 E HA 0.323 4.673 4.350 0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.306 56.684 56.400 -0.036 0.000 0.916 93 E CB 0.866 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.955 123.494 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 0.000 0.000 0.290 94 I C -0.795 175.284 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.651 61.300 -0.062 0.000 1.047 94 I CB 2.446 40.392 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.445 120.969 114.554 -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 1.922 70.787 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.967 123.525 120.570 -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 1.883 39.818 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.448 124.192 118.700 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 3.746 123.742 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 0.000 0.000 0.267 98 V C 0.747 176.897 176.094 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 3.901 124.515 120.570 0.074 0.000 2.533 99 I HA 0.106 4.276 4.170 0.000 0.000 0.284 99 I C 0.901 177.048 176.117 0.051 0.000 1.109 99 I CA 0.170 61.503 61.300 0.055 0.000 1.412 99 I CB 0.272 38.299 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.477 126.902 120.400 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 54.489 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 1.634 121.449 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 0.000 0.000 0.274 101 Q C -0.897 175.111 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.554 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 -0.509 175.003 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.415 118.989 120.400 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 0.036 54.042 54.000 0.009 0.000 0.844 103 D CB 0.007 40.816 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.122 119.822 118.700 -0.000 0.000 2.392 104 N HA 0.235 4.975 4.740 0.000 0.000 0.283 104 N C -0.800 174.703 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.524 53.050 -0.004 0.000 0.892 104 N CB 2.287 40.771 38.487 -0.005 0.000 1.193 104 N HN 0.107 nan 8.380 nan 0.000 0.487 105 R N 2.874 123.369 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.712 4.340 0.000 0.000 0.278 105 R C -2.051 174.235 176.300 -0.023 0.000 1.069 105 R CA -0.932 55.160 56.100 -0.013 0.000 1.080 105 R CB 0.631 30.933 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 -0.278 62.775 63.100 -0.078 0.000 0.770 106 P CB 0.669 32.280 31.700 -0.148 0.000 1.206 107 K N -0.425 119.931 120.400 -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 0.020 0.000 0.942 107 K CA -0.572 55.724 56.287 0.014 0.000 0.818 107 K CB 0.983 33.516 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 1.962 177.882 175.800 0.200 0.000 1.118 108 F CA 0.485 58.613 58.000 0.214 0.000 1.287 108 F CB 1.173 40.349 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 0.683 175.444 174.700 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 -0.384 119.377 119.800 -0.064 0.000 2.333 110 Q HA 0.388 4.728 4.340 0.000 0.000 0.266 110 Q C 0.335 176.225 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.913 55.803 -0.360 0.000 0.890 110 Q CB 1.000 29.173 28.738 -0.942 0.000 1.337 110 Q HN -0.030 nan 8.270 nan 0.000 0.474 111 D N -0.519 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 0.000 0.000 0.206 111 D C -0.598 175.639 176.300 -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 -1.794 117.993 119.914 -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 -0.216 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 2.352 122.256 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.129 41.096 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.565 121.134 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 0.000 0.000 0.271 114 R C -0.455 175.870 176.300 0.042 0.000 0.996 114 R CA -1.115 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 32.560 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.387 108.422 108.800 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 57.692 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 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.411 120.369 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 0.000 0.000 0.302 117 V C -0.310 175.831 176.094 0.078 0.000 1.262 117 V CA -1.178 61.166 62.300 0.074 0.000 1.030 117 V CB 1.871 33.751 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.129 121.667 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 0.000 0.000 0.288 118 R C 1.535 177.875 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.199 31.528 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.812 123.057 120.200 0.074 0.000 2.118 119 E HA -0.173 4.177 4.350 0.000 0.000 0.195 119 E C 1.012 177.644 176.600 0.053 0.000 0.992 119 E CA 1.512 57.957 56.400 0.076 0.000 0.804 119 E CB -0.181 29.572 29.700 0.088 0.000 0.741 119 E HN 0.833 nan 8.360 nan 0.000 0.458 120 G N 2.051 110.880 108.800 0.047 0.000 2.985 120 G HA2 0.105 4.065 3.960 0.000 0.000 0.209 120 G HA3 0.105 4.065 3.960 0.000 0.000 0.209 120 G C 0.789 175.704 174.900 0.025 0.000 1.165 120 G CA 0.326 45.448 45.100 0.036 0.000 0.776 120 G HN 0.270 nan 8.290 nan 0.000 0.541 121 V N -2.183 117.745 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 4.120 0.000 0.000 0.305 121 V C -0.074 176.021 176.094 0.002 0.000 1.096 121 V CA -0.862 61.447 62.300 0.016 0.000 1.130 121 V CB 0.918 32.754 31.823 0.021 0.000 1.048 121 V HN 0.249 nan 8.190 nan 0.000 0.484 122 Q N 2.834 122.634 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 0.000 0.000 0.246 122 Q C -2.353 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.842 53.955 55.803 -0.009 0.000 0.895 122 Q CB 1.319 30.054 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.071 nan 4.420 nan 0.000 0.264 123 P C 0.181 177.467 177.300 -0.023 0.000 1.193 123 P CA 0.719 63.795 63.100 -0.040 0.000 0.763 123 P CB 0.417 32.088 31.700 -0.048 0.000 0.810 124 G N 1.471 110.260 108.800 -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 -0.127 174.775 174.900 0.003 0.000 1.013 124 G CA -0.371 44.725 45.100 -0.006 0.000 0.689 124 G HN 0.644 nan 8.290 nan 0.000 0.506 125 T N 0.815 115.374 114.554 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 -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.879 70.758 68.868 0.019 0.000 0.930 125 T HN 0.437 nan 8.240 nan 0.000 0.447 126 Q N 3.505 123.318 119.800 0.021 0.000 2.271 126 Q HA 0.257 4.597 4.340 0.000 0.000 0.273 126 Q C 0.284 176.297 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.659 55.803 0.018 0.000 0.901 126 Q CB 0.802 29.543 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.795 124.720 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 0.000 0.000 0.215 127 V C 0.754 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.403 62.710 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 0.203 119.772 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 0.000 0.000 0.219 128 M C -0.460 175.795 176.300 -0.075 0.000 1.004 128 M CA 0.082 55.347 55.300 -0.060 0.000 1.427 128 M CB 1.415 33.960 32.600 -0.092 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.053 122.816 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.071 20.034 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.339 121.015 119.914 -0.396 0.000 2.876 130 V HA 0.821 4.941 4.120 0.000 0.000 0.312 130 V C 0.106 175.921 176.094 -0.465 0.000 1.085 130 V CA -0.448 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.369 33.677 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.499 117.090 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 0.000 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.078 58.200 0.105 0.000 0.920 131 S CB 2.102 65.432 63.200 0.217 0.000 1.111 131 S HN 1.420 nan 8.310 nan 0.000 0.493 132 A N 0.824 123.743 122.820 0.164 0.000 2.549 132 A HA 0.767 5.087 4.320 0.000 0.000 0.291 132 A C -0.922 176.658 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.661 19.422 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.196 113.327 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 0.000 0.000 0.302 133 T C -1.688 172.975 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.169 71.035 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.520 119.847 120.400 -0.054 0.000 2.619 134 D HA 0.327 4.967 4.640 0.000 0.000 0.241 134 D C 0.299 176.582 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.048 0.000 0.851 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.474 134 D HN 0.730 nan 8.370 nan 0.000 0.478 135 E N 1.161 121.350 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 0.000 0.000 0.194 135 E C -0.102 176.492 176.600 -0.010 0.000 1.013 135 E CA -0.059 56.333 56.400 -0.013 0.000 0.866 135 E CB 0.456 30.151 29.700 -0.009 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.178 121.571 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 0.000 0.000 0.243 136 D C 0.072 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.148 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.311 41.107 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.958 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 0.000 0.000 0.236 137 D C 0.080 176.375 176.300 -0.008 0.000 1.189 137 D CA 0.257 54.257 54.000 -0.001 0.000 0.887 137 D CB 0.163 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 2.008 120.704 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 0.000 0.000 0.262 138 N C -0.051 175.454 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.824 53.050 -0.013 0.000 0.847 138 N CB 0.071 38.547 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.880 119.687 120.570 -0.003 0.000 4.541 139 I HA 0.241 4.411 4.170 0.000 0.000 0.337 139 I C -0.481 175.636 176.117 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 -0.270 120.130 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 0.000 0.000 0.326 140 D C 0.373 176.673 176.300 0.001 0.000 1.209 140 D CA 0.552 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 -0.685 115.014 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 0.000 0.000 0.306 141 S C 0.080 174.672 174.600 -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 0.985 122.198 121.223 -0.016 0.000 2.808 142 L HA 0.329 4.669 4.340 0.000 0.000 0.246 142 L C 0.768 177.619 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.653 54.840 -0.026 0.000 0.956 142 L CB -0.473 41.570 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.322 120.008 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 0.000 0.000 0.187 143 N C 1.489 176.980 175.510 -0.032 0.000 1.056 143 N CA 1.261 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 -0.822 107.957 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 0.000 0.000 0.287 144 G C -0.352 174.511 174.900 -0.061 0.000 1.011 144 G CA -0.102 44.971 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.448 119.423 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 0.000 0.000 0.290 145 V C -0.525 175.484 176.094 -0.142 0.000 1.030 145 V CA -1.180 61.065 62.300 -0.091 0.000 0.881 145 V CB 1.626 33.410 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.822 124.912 121.223 -0.221 0.000 2.365 146 L HA 0.736 5.076 4.340 0.000 0.000 0.267 146 L C 0.382 177.002 176.870 -0.417 0.000 1.033 146 L CA -0.283 54.344 54.840 -0.355 0.000 0.802 146 L CB 1.362 43.098 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.238 115.203 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 0.000 0.000 0.291 147 S C -1.072 173.335 174.600 -0.322 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.404 63.522 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.552 122.832 120.300 -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 1.502 39.945 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.838 116.654 115.700 0.192 0.000 2.636 149 S HA 0.786 5.256 4.470 0.000 0.000 0.268 149 S C -1.539 173.121 174.600 0.099 0.000 1.159 149 S CA -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.271 64.516 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.898 121.508 120.570 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 -1.080 60.250 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 0.671 nan 8.210 nan 0.000 0.423 151 L N 2.012 123.261 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 0.000 0.000 0.323 151 L C -0.104 176.789 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 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 1.756 122.181 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 0.000 0.000 0.354 152 K C -1.514 175.123 176.600 0.063 0.000 1.394 152 K CA -0.129 56.186 56.287 0.048 0.000 1.138 152 K CB 0.922 33.444 32.500 0.037 0.000 1.399 152 K HN 0.436 nan 8.250 nan 0.000 0.480 153 Q N 2.524 122.381 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 0.000 0.000 0.255 153 Q C -0.462 175.635 176.000 0.163 0.000 0.920 153 Q CA -0.786 55.109 55.803 0.154 0.000 0.927 153 Q CB 1.859 30.735 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.791 123.287 120.400 0.160 0.000 2.376 154 D HA 0.203 4.843 4.640 0.000 0.000 0.268 154 D C -2.056 174.318 176.300 0.124 0.000 1.252 154 D CA -1.434 52.630 54.000 0.108 0.000 1.041 154 D CB 0.059 40.892 40.800 0.055 0.000 1.109 154 D HN 0.510 nan 8.370 nan 0.000 0.552 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.797 176.549 177.300 0.077 0.000 0.540 155 P CA 0.690 63.803 63.100 0.022 0.000 1.035 155 P CB -0.612 30.997 31.700 -0.152 0.000 1.908 156 E N -0.029 120.208 120.200 0.061 0.000 2.401 156 E HA -0.085 4.265 4.350 0.000 0.000 0.203 156 E C 0.350 176.943 176.600 -0.012 0.000 1.229 156 E CA 0.580 57.007 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 -1.883 118.271 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.624 4.350 0.000 0.000 0.272 157 E C -2.179 174.067 176.600 -0.590 0.000 0.884 157 E CA -2.287 53.971 56.400 -0.237 0.000 0.753 157 E CB 1.599 31.207 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 1.379 64.304 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.218 0.000 0.788 159 I N -7.349 113.133 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 0.000 0.000 0.315 159 I C -2.598 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.698 58.542 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 -1.146 176.127 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.415 31.283 31.700 -0.003 0.000 1.596 161 N N 0.080 118.717 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 0.000 0.000 0.303 161 N C 1.004 176.371 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.681 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.708 120.247 121.223 -0.447 0.000 2.201 162 L HA 0.133 4.473 4.340 0.000 0.000 0.212 162 L C -0.310 175.925 176.870 -1.058 0.000 1.105 162 L CA 1.254 55.539 54.840 -0.924 0.000 0.775 162 L CB -0.317 40.819 42.059 -1.538 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.687 117.188 119.950 -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 -1.011 56.934 58.000 -0.092 0.000 0.970 163 F CB 1.406 40.346 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 -1.944 172.792 174.700 0.061 0.000 1.230 164 T CA -0.531 61.620 62.100 0.087 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 2.508 123.099 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 0.000 0.000 0.295 165 I C -0.667 175.465 176.117 0.024 0.000 1.078 165 I CA -0.960 60.345 61.300 0.009 0.000 1.048 165 I CB 1.950 39.949 38.000 -0.002 0.000 1.239 165 I HN 0.564 nan 8.210 nan 0.000 0.421 166 N N 6.141 124.846 118.700 0.007 0.000 2.405 166 N HA 0.140 4.880 4.740 0.000 0.000 0.260 166 N C 0.820 176.384 175.510 0.090 0.000 1.152 166 N CA 0.237 53.306 53.050 0.031 0.000 0.948 166 N CB 0.908 39.400 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 57.792 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 1.670 178.418 176.600 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 -3.498 111.146 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 0.000 0.000 0.255 169 T C 1.501 176.092 174.700 -0.181 0.000 1.085 169 T CA 0.664 62.795 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 1.019 109.655 108.800 -0.274 0.000 2.148 170 G HA2 -0.218 3.742 3.960 0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.663 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.092 120.883 119.914 -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 -0.416 61.800 62.300 -0.139 0.000 1.023 171 V CB 1.626 33.402 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.425 122.940 120.570 -0.092 0.000 2.562 172 I HA 0.581 4.751 4.170 0.000 0.000 0.301 172 I C 0.162 176.279 176.117 -0.000 0.000 1.003 172 I CA 0.016 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.032 39.960 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.941 119.678 115.700 0.062 0.000 2.595 173 S HA 0.512 4.982 4.470 0.000 0.000 0.281 173 S C -1.054 173.647 174.600 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 2.746 124.042 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 0.000 0.000 0.276 174 L C 0.331 177.167 176.870 -0.057 0.000 1.121 174 L CA 0.619 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.102 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 0.489 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 0.054 108.723 108.800 -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 0.258 nan 8.290 nan 0.000 0.548 177 T N -4.919 109.546 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 0.000 0.000 0.312 177 T C 0.077 174.721 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.635 70.464 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.076 110.836 108.800 -0.068 0.000 2.731 178 G HA2 0.027 3.987 3.960 0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 0.000 0.000 0.219 178 G C -0.217 174.689 174.900 0.011 0.000 0.989 178 G CA -0.773 44.309 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.607 122.834 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 4.340 0.000 0.000 0.272 179 L C -0.283 176.667 176.870 0.133 0.000 1.166 179 L CA 0.162 55.049 54.840 0.078 0.000 0.880 179 L CB 0.911 43.000 42.059 0.049 0.000 1.142 179 L HN 0.165 nan 8.230 nan 0.000 0.473 180 D N 2.502 123.033 120.400 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 -0.611 53.502 54.000 0.187 0.000 0.918 180 D CB 1.522 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 2.469 123.044 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 0.000 0.000 0.232 181 R C 0.769 177.097 176.300 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 30.585 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.168 120.389 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 0.000 0.000 0.196 182 E C 1.662 178.212 176.600 -0.085 0.000 0.993 182 E CA 1.436 57.830 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 -1.143 119.183 120.400 -0.124 0.000 2.344 183 K HA 0.195 4.515 4.320 0.000 0.000 0.200 183 K C -0.382 175.773 176.600 -0.741 0.000 1.132 183 K CA 0.237 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.683 32.827 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.535 121.480 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.722 56.229 58.000 -0.082 0.000 1.093 184 F CB 1.831 40.772 39.000 -0.098 0.000 1.363 184 F HN -0.093 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.172 177.300 0.078 0.000 1.188 185 P CA 0.724 63.873 63.100 0.081 0.000 0.794 185 P CB 1.237 32.957 31.700 0.032 0.000 0.937 186 E N -0.254 119.926 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.674 55.729 56.400 0.006 0.000 0.814 186 E CB 1.042 30.746 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.272 121.622 120.300 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 0.010 0.000 1.190 187 Y CA -0.319 57.825 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 4.833 119.476 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 0.000 0.000 0.311 188 T C -0.818 173.916 174.700 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 68.692 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.497 121.724 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 0.000 0.000 0.273 189 L C -0.240 176.610 176.870 -0.033 0.000 1.013 189 L CA -1.010 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.415 43.448 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.349 116.894 114.554 -0.015 0.000 2.767 190 T HA 0.534 4.884 4.350 0.000 0.000 0.288 190 T C 0.105 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.593 70.458 68.868 -0.005 0.000 0.923 190 T HN 0.608 nan 8.240 nan 0.000 0.468 191 V N 1.534 121.425 119.914 -0.037 0.000 2.994 191 V HA 0.786 4.906 4.120 0.000 0.000 0.318 191 V C -0.687 175.522 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.055 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 1.168 121.146 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.483 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.775 124.638 122.820 0.072 0.000 2.386 193 A HA 0.866 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 2.148 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 0.931 115.365 114.554 -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 1.415 121.756 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 0.000 0.000 0.238 195 D C 0.963 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.077 54.028 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.670 122.855 121.223 -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 -1.558 118.596 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.650 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 -0.416 108.335 108.800 -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 0.942 175.818 174.900 -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 -0.242 122.554 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.919 4.320 0.000 0.000 0.211 199 A C 2.334 179.902 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.751 52.037 -0.028 0.000 0.657 199 A CB -0.637 18.349 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.009 108.790 108.800 -0.032 0.000 2.830 200 G HA2 0.354 4.314 3.960 0.000 0.000 0.172 200 G HA3 0.354 4.314 3.960 0.000 0.000 0.172 200 G C 0.368 175.254 174.900 -0.023 0.000 1.782 200 G CA 0.115 45.198 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.205 121.412 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 0.000 0.000 0.269 201 L C -0.035 176.821 176.870 -0.025 0.000 1.034 201 L CA -0.695 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.111 44.162 42.059 -0.014 0.000 1.244 201 L HN 0.482 nan 8.230 nan 0.000 0.447 202 S N 0.066 115.763 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 0.000 0.000 0.289 202 S C -0.593 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.599 nan 8.310 nan 0.000 0.486 203 V N -2.072 117.897 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 0.000 0.000 0.306 203 V C -1.922 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 62.300 0.188 0.000 1.065 203 V CB 1.444 33.385 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.031 120.440 120.200 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 -0.167 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 0.255 108.690 108.800 -0.608 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 -1.231 173.446 174.900 -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 -0.939 119.308 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 0.000 0.000 0.255 206 K C -1.411 175.173 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.712 56.287 -0.109 0.000 0.840 206 K CB 2.297 34.757 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.034 126.827 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 0.000 0.000 0.311 207 A C -1.040 176.523 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.714 123.278 120.570 -0.010 0.000 2.466 208 I HA 0.390 4.560 4.170 0.000 0.000 0.289 208 I C -1.048 175.068 176.117 -0.001 0.000 1.026 208 I CA -0.374 60.924 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 5.712 126.290 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 0.000 0.000 0.291 209 I C -0.133 176.053 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.504 39.484 38.000 -0.034 0.000 1.315 209 I HN 0.500 nan 8.210 nan 0.000 0.448 210 Q N 6.061 125.912 119.800 0.086 0.000 2.214 210 Q HA 0.570 4.910 4.340 0.000 0.000 0.251 210 Q C -1.044 175.026 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.237 31.007 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 0.579 176.750 176.117 0.091 0.000 1.012 211 I CA -0.415 60.967 61.300 0.136 0.000 1.195 211 I CB 1.614 39.730 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.282 118.880 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 0.000 0.000 0.339 212 T C 0.069 174.802 174.700 0.056 0.000 1.059 212 T CA 0.097 62.229 62.100 0.054 0.000 1.035 212 T CB 0.487 69.382 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.655 119.772 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 0.000 0.000 0.247 213 D C -0.864 175.468 176.300 0.054 0.000 0.990 213 D CA -0.508 53.522 54.000 0.049 0.000 0.931 213 D CB 1.789 42.613 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.876 124.733 122.820 0.061 0.000 2.515 214 A HA 0.327 4.647 4.320 0.000 0.000 0.296 214 A C -0.297 177.335 177.584 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 0.614 119.372 118.700 0.097 0.000 3.111 215 N HA 0.119 4.859 4.740 0.000 0.000 0.302 215 N C -0.047 175.539 175.510 0.128 0.000 1.317 215 N CA 0.235 53.368 53.050 0.138 0.000 1.151 215 N CB -0.226 38.370 38.487 0.182 0.000 1.456 215 N HN 0.584 nan 8.380 nan 0.000 0.547 216 D N -1.379 119.070 120.400 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 1.117 55.145 54.000 0.047 0.000 0.842 216 D CB 0.092 40.917 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.241 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 0.000 0.000 0.298 217 N C -0.809 174.669 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.017 0.000 0.894 217 N CB 1.960 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 1.467 124.200 122.820 -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 -1.508 50.408 52.037 -0.200 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 -1.071 176.110 177.300 -0.199 0.000 1.253 219 P CA 0.044 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 3.215 123.669 120.570 -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 5.030 125.008 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.399 58.450 58.000 0.085 0.000 1.164 221 F CB 0.190 39.263 39.000 0.121 0.000 1.049 221 F HN 0.507 nan 8.300 nan 0.000 0.552 222 D N 3.529 124.058 120.400 0.215 0.000 2.378 222 D HA 0.060 4.700 4.640 0.000 0.000 0.227 222 D C -1.850 174.483 176.300 0.055 0.000 1.012 222 D CA 0.179 54.258 54.000 0.132 0.000 0.905 222 D CB -0.193 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.021 177.313 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.214 0.000 0.972 223 P CB 2.217 33.370 31.700 -0.912 0.000 1.377 224 K N -0.767 119.594 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 0.000 0.000 0.196 224 K C -0.307 176.260 176.600 -0.056 0.000 1.117 224 K CA 0.732 56.992 56.287 -0.044 0.000 0.965 224 K CB 0.384 32.869 32.500 -0.026 0.000 0.983 224 K HN 0.506 nan 8.250 nan 0.000 0.531 225 T N -1.058 113.470 114.554 -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 0.414 69.269 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.464 121.713 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 0.000 0.000 0.326 226 Y C 1.094 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.966 57.095 58.100 -0.065 0.000 1.269 226 Y CB 2.277 40.693 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.153 113.496 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 0.000 0.000 0.318 227 T C -1.292 173.443 174.700 0.059 0.000 1.265 227 T CA -0.734 61.410 62.100 0.073 0.000 1.036 227 T CB 1.578 70.472 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.875 124.716 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 0.000 0.000 0.293 228 A C -1.644 175.965 177.584 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 0.630 121.888 121.223 0.058 0.000 2.334 229 L HA 0.864 5.204 4.340 0.000 0.000 0.270 229 L C -0.385 176.547 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.945 44.035 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.347 119.611 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 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 60.336 62.300 0.084 0.000 1.008 230 V CB 2.275 34.163 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 0.456 177.636 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.912 33.464 31.700 -0.247 0.000 1.046 232 E N 1.915 121.997 120.200 -0.197 0.000 2.033 232 E HA -0.196 4.154 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 1.446 57.715 56.400 -0.219 0.000 0.815 232 E CB -0.011 29.591 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.501 118.115 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.905 39.346 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 4.487 4.350 0.000 0.000 0.203 234 E C 0.571 177.129 176.600 -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 0.780 121.301 120.570 -0.082 0.000 3.276 235 I HA -0.089 4.081 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 1.345 62.622 61.300 -0.038 0.000 1.496 235 I CB 0.209 38.170 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.838 115.676 108.800 0.063 0.000 1.974 236 G HA2 0.470 4.430 3.960 0.000 0.000 0.303 236 G HA3 0.470 4.430 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 -0.248 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 1.276 121.203 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 0.000 0.000 0.308 237 F C -0.465 175.324 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.028 0.000 0.972 237 F CB 1.596 40.574 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.918 123.655 120.200 -0.772 0.000 2.463 238 E HA 0.095 4.445 4.350 0.000 0.000 0.248 238 E C 0.240 176.185 176.600 -1.090 0.000 1.106 238 E CA -0.003 55.943 56.400 -0.757 0.000 0.946 238 E CB 1.137 30.577 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.972 123.516 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.073 4.120 0.000 0.000 0.240 239 V C 0.318 176.255 176.094 -0.260 0.000 1.036 239 V CA 1.841 63.901 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.917 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.666 118.993 119.800 -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 -0.617 55.080 55.803 -0.177 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.363 121.777 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 0.000 0.000 0.272 241 R C -0.939 175.279 176.300 -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 31.333 30.300 -0.062 0.000 1.141 241 R HN 0.548 nan 8.270 nan 0.000 0.494 242 L N 0.027 121.158 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 0.000 0.000 0.264 242 L C -0.489 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.666 116.546 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 0.000 0.000 0.301 243 S C -0.674 174.006 174.600 0.134 0.000 1.092 243 S CA -0.710 57.594 58.200 0.173 0.000 1.048 243 S CB 2.202 65.491 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.060 118.850 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.070 4.120 0.000 0.000 0.299 244 V C -1.199 174.822 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.045 113.431 114.554 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 0.000 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.739 69.614 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.451 120.400 -0.116 0.000 2.312 246 D HA 0.335 4.975 4.640 0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.694 53.279 54.000 -0.044 0.000 0.948 246 D CB 1.510 42.238 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.986 123.282 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 0.000 0.000 0.242 247 L C 0.835 177.788 176.870 0.137 0.000 1.136 247 L CA -0.122 54.799 54.840 0.134 0.000 0.933 247 L CB 0.018 42.115 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.416 120.086 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 0.000 0.000 0.266 248 D C 0.394 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.130 0.000 1.019 248 D CB 0.380 41.261 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.124 120.754 119.600 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 54.039 55.300 -0.062 0.000 1.161 249 M CB 1.206 33.782 32.600 -0.041 0.000 1.737 249 M HN -0.036 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.763 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.729 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 -0.057 3.903 3.960 0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 0.000 0.000 0.210 251 G C 0.169 175.066 174.900 -0.006 0.000 1.141 251 G CA 0.488 45.496 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.794 115.363 114.554 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 2.154 71.058 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.064 nan 4.420 nan 0.000 0.234 253 P C 0.502 177.846 177.300 0.073 0.000 1.162 253 P CA 0.328 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 -3.621 119.274 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 0.000 0.000 0.255 254 A C 1.110 178.824 177.584 0.217 0.000 1.274 254 A CA -0.271 51.846 52.037 0.134 0.000 0.920 254 A CB -0.803 18.273 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.872 120.425 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 0.000 0.000 0.275 255 W C 0.170 176.673 176.519 -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 0.514 4.854 4.340 0.000 0.000 0.256 256 Q C -0.266 175.616 176.000 -0.197 0.000 0.927 256 Q CA 0.027 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.580 30.337 28.738 0.032 0.000 1.201 256 Q HN 0.118 nan 8.270 nan 0.000 0.426 257 A N 3.500 126.141 122.820 -0.299 0.000 2.340 257 A HA 0.577 4.897 4.320 0.000 0.000 0.268 257 A C -0.696 176.661 177.584 -0.377 0.000 1.100 257 A CA -0.441 51.347 52.037 -0.414 0.000 0.803 257 A CB 0.938 19.617 19.000 -0.534 0.000 1.043 257 A HN 0.510 nan 8.150 nan 0.000 0.488 258 V N 2.469 122.090 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 0.000 0.000 0.306 258 V C -0.983 174.859 176.094 -0.421 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.111 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 3.049 123.345 120.300 -0.007 0.000 2.782 259 Y HA 0.855 5.405 4.550 0.000 0.000 0.329 259 Y C 0.250 176.163 175.900 0.021 0.000 1.192 259 Y CA -1.006 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.303 39.775 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.353 120.904 120.400 0.253 0.000 2.976 260 K HA 0.188 4.508 4.320 0.000 0.000 0.326 260 K C -1.864 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.012 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 -0.240 120.375 120.570 0.074 0.000 2.834 261 I HA 0.336 4.506 4.170 0.000 0.000 0.305 261 I C 0.882 177.033 176.117 0.056 0.000 1.008 261 I CA -0.672 60.657 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 2.838 123.365 120.500 0.045 0.000 2.057 262 R HA 0.247 4.587 4.340 0.000 0.000 0.224 262 R C -0.076 176.255 176.300 0.052 0.000 1.136 262 R CA 0.935 57.062 56.100 0.046 0.000 0.968 262 R CB -0.209 30.113 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.430 122.382 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 0.000 0.000 0.297 263 V C -0.541 175.627 176.094 0.123 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.911 33.778 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.063 121.836 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.116 53.045 53.050 0.185 0.000 0.946 264 N CB 1.273 39.836 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.611 122.982 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 0.000 0.000 0.237 265 E C 1.176 177.687 176.600 -0.149 0.000 1.069 265 E CA 2.466 59.017 56.400 0.251 0.000 0.950 265 E CB -0.444 29.690 29.700 0.724 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.384 105.813 108.800 -1.005 0.000 3.453 266 G HA2 0.386 4.346 3.960 0.000 0.000 0.263 266 G HA3 0.386 4.346 3.960 0.000 0.000 0.263 266 G C 0.611 174.806 174.900 -1.174 0.000 1.060 266 G CA 0.213 44.457 45.100 -1.427 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.800 109.195 108.800 -0.675 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 0.319 175.093 174.900 -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 2.983 268 F HA 0.731 5.258 4.527 0.000 0.000 0.307 268 F C 0.019 175.300 175.800 -0.864 0.000 1.218 268 F CA -1.450 56.287 58.000 -0.437 0.000 1.323 268 F CB 0.175 38.873 39.000 -0.503 0.000 0.989 268 F HN -0.036 nan 8.300 nan 0.000 0.509 269 F N 0.761 120.816 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 0.000 0.000 0.312 269 F C -0.774 175.045 175.800 0.031 0.000 1.119 269 F CA -1.221 56.819 58.000 0.068 0.000 0.979 269 F CB 1.913 40.941 39.000 0.046 0.000 1.266 269 F HN -0.048 nan 8.300 nan 0.000 0.444 270 N N 2.341 121.167 118.700 0.210 0.000 2.229 270 N HA 0.702 5.442 4.740 0.000 0.000 0.298 270 N C -1.923 173.626 175.510 0.066 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.363 40.886 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.266 121.856 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 0.000 0.000 0.289 271 I C -0.947 175.172 176.117 0.005 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.788 39.748 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.990 118.534 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 0.000 0.000 0.282 272 T C -0.471 174.248 174.700 0.033 0.000 1.020 272 T CA -0.515 61.598 62.100 0.021 0.000 0.994 272 T CB 1.807 70.681 68.868 0.010 0.000 1.180 272 T HN 0.606 nan 8.240 nan 0.000 0.566 273 T N 1.152 115.753 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 0.000 0.000 0.289 273 T C -1.247 173.486 174.700 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 70.636 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.707 121.136 120.400 0.047 0.000 2.936 274 D HA 0.380 5.020 4.640 0.000 0.000 0.238 274 D C -2.763 173.569 176.300 0.053 0.000 1.248 274 D CA -2.279 51.744 54.000 0.039 0.000 0.903 274 D CB 2.058 42.873 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 nan 4.420 nan 0.000 0.238 275 P C -0.178 177.209 177.300 0.145 0.000 1.649 275 P CA 0.440 63.620 63.100 0.134 0.000 0.960 275 P CB -0.046 31.726 31.700 0.121 0.000 1.911 276 E N -1.839 118.437 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 0.000 0.000 0.190 276 E C 0.584 177.296 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 56.400 0.123 0.000 1.068 276 E CB -0.303 29.440 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.705 116.477 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 0.000 0.000 0.248 277 S C -0.622 173.937 174.600 -0.069 0.000 1.021 277 S CA 0.064 58.332 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.346 120.002 118.700 -0.073 0.000 2.745 278 N HA -0.247 4.493 4.740 0.000 0.000 0.271 278 N C -0.123 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.417 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.919 37.393 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.034 119.764 119.800 -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 0.165 55.970 55.803 0.003 0.000 0.924 279 Q CB 0.800 29.535 28.738 -0.005 0.000 1.256 279 Q HN 0.539 nan 8.270 nan 0.000 0.519 280 G N 1.332 110.023 108.800 -0.182 0.000 2.350 280 G HA2 0.425 4.385 3.960 0.000 0.000 0.306 280 G HA3 0.425 4.385 3.960 0.000 0.000 0.306 280 G C -0.883 173.798 174.900 -0.365 0.000 1.094 280 G CA -0.419 44.338 45.100 -0.572 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.326 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 0.000 0.000 0.286 281 I C -0.328 175.671 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.194 0.000 1.197 281 I CB 0.691 38.623 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.976 129.063 121.223 -0.227 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 -1.402 113.123 114.554 -0.048 0.000 2.754 283 T HA 0.443 4.793 4.350 0.000 0.000 0.296 283 T C -0.563 174.222 174.700 0.143 0.000 1.205 283 T CA -0.707 61.378 62.100 -0.026 0.000 1.009 283 T CB 1.535 70.373 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.065 114.534 114.554 0.075 0.000 2.771 284 T HA 0.654 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 -0.362 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 0.933 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 1.233 178.790 177.584 -0.044 0.000 1.202 285 A CA 0.518 52.521 52.037 -0.056 0.000 0.607 285 A CB -0.179 18.799 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.922 119.445 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 0.000 0.000 0.169 286 K C 0.357 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.025 32.541 32.500 0.027 0.000 1.080 286 K HN 0.814 nan 8.250 nan 0.000 0.613 287 G N 1.499 110.257 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 0.000 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.106 45.149 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.977 119.124 121.223 -0.203 0.000 2.563 288 L HA 0.891 5.231 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 0.061 54.716 54.840 -0.308 0.000 1.526 288 L CB 1.449 43.117 42.059 -0.651 0.000 1.929 288 L HN 0.698 nan 8.230 nan 0.000 0.563 289 D N -1.372 118.853 120.400 -0.291 0.000 3.244 289 D HA 0.193 4.833 4.640 0.000 0.000 0.292 289 D C -1.086 175.326 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.262 41.281 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.909 118.044 119.950 0.005 0.000 2.817 290 F HA 0.678 5.205 4.527 0.000 0.000 0.317 290 F C 0.172 175.985 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.845 39.864 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.114 120.554 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.115 56.645 56.400 0.218 0.000 1.038 291 E CB 0.619 30.402 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.091 121.244 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 0.000 0.000 0.203 292 L C 0.486 177.192 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.346 41.984 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.567 119.909 120.500 -0.040 0.000 2.668 293 R HA 0.281 4.621 4.340 0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.431 55.762 56.100 0.156 0.000 0.894 293 R CB 2.256 32.525 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.359 120.854 120.400 0.158 0.000 2.436 294 K HA 0.198 4.518 4.320 0.000 0.000 0.198 294 K C -0.132 176.514 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.519 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.122 119.871 119.800 -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 -0.624 55.098 55.803 -0.135 0.000 0.896 295 Q CB 1.643 30.324 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.480 120.809 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 0.000 0.000 0.329 296 Y C -0.826 175.063 175.900 -0.018 0.000 1.101 296 Y CA -0.652 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.554 40.027 38.460 0.021 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.443 126.412 119.914 0.091 0.000 2.313 297 V HA 0.524 4.644 4.120 0.000 0.000 0.278 297 V C -0.404 175.714 176.094 0.041 0.000 1.017 297 V CA -0.481 61.843 62.300 0.040 0.000 0.823 297 V CB 0.638 32.470 31.823 0.015 0.000 1.010 297 V HN 0.567 nan 8.190 nan 0.000 0.443 298 L N 3.217 124.439 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 0.000 0.000 0.260 298 L C -0.910 175.925 176.870 -0.057 0.000 1.015 298 L CA -0.943 53.884 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.403 121.178 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 0.000 0.000 0.271 299 Q C -1.625 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.066 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 1.420 121.966 120.570 -0.041 0.000 2.466 300 I HA 0.277 4.447 4.170 0.000 0.000 0.289 300 I C 0.010 176.242 176.117 0.192 0.000 1.026 300 I CA -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.076 40.119 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 0.000 0.000 0.283 301 T C -0.449 174.408 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 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 1.540 121.551 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 0.000 0.000 0.304 302 V C -0.936 175.079 176.094 -0.132 0.000 1.042 302 V CA -0.569 61.619 62.300 -0.187 0.000 0.877 302 V CB 1.548 33.107 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.406 124.498 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 0.000 0.000 0.251 303 E C -0.997 175.523 176.600 -0.133 0.000 0.910 303 E CA -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.858 31.517 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 1.443 39.903 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.231 122.982 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 0.000 0.000 0.215 305 A C 0.505 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.197 53.174 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.451 19.000 -0.051 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.611 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 0.000 0.000 0.277 306 E C -2.747 173.690 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.484 30.141 29.700 -0.072 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.010 177.300 -0.394 0.000 1.243 307 P CA 0.147 63.000 63.100 -0.412 0.000 0.803 307 P CB 0.235 31.820 31.700 -0.191 0.000 0.974 308 F N -1.353 118.594 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 0.000 0.000 0.333 308 F C 1.370 177.173 175.800 0.003 0.000 1.095 308 F CA -0.315 57.684 58.000 -0.001 0.000 1.038 308 F CB 0.366 39.364 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.554 116.388 115.700 0.224 0.000 2.786 309 S HA 0.338 4.808 4.470 0.000 0.000 0.223 309 S C 0.026 174.689 174.600 0.105 0.000 0.956 309 S CA -0.072 58.203 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 0.834 120.827 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 0.000 0.000 0.272 310 V C -2.880 173.245 176.094 0.052 0.000 1.639 310 V CA -1.890 60.450 62.300 0.066 0.000 1.006 310 V CB 2.110 33.949 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 3.142 124.279 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.855 54.840 -0.239 0.000 0.855 312 L CB 2.307 44.053 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.098 176.152 177.300 -0.083 0.000 1.300 313 P CA -0.333 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.121 32.788 31.700 -0.055 0.000 0.925 314 T N 1.672 116.214 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.219 62.339 62.100 0.033 0.000 1.119 314 T CB 0.154 69.066 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.787 118.558 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 0.000 0.000 0.322 315 S C 0.406 175.248 174.600 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 2.532 117.203 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 0.000 0.000 0.287 316 T C -0.017 174.476 174.700 -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 70.017 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.719 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 0.000 0.000 0.313 317 A C 0.122 177.523 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.686 52.037 -0.709 0.000 0.774 317 A CB 0.757 18.998 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 -0.286 174.379 174.700 -0.058 0.000 0.957 318 T CA -0.464 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.109 69.942 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.838 122.710 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 0.000 0.000 0.311 319 V C -0.042 176.031 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.587 34.335 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.946 118.500 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 0.000 0.000 0.283 320 T C -0.495 174.228 174.700 0.037 0.000 0.988 320 T CA -0.270 61.844 62.100 0.025 0.000 0.957 320 T CB 1.317 70.201 68.868 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.213 123.178 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 0.000 0.000 0.310 321 V C 0.120 176.313 176.094 0.165 0.000 1.054 321 V CA -0.811 61.553 62.300 0.107 0.000 0.928 321 V CB 2.174 34.047 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.394 117.018 114.554 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 61.765 62.100 0.104 0.000 0.975 322 T CB 1.656 70.563 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.019 123.973 119.914 0.067 0.000 2.368 323 V HA 0.250 4.370 4.120 0.000 0.000 0.266 323 V C 0.690 176.768 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.374 32.122 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.688 122.866 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 0.000 0.000 0.259 324 E C -0.668 175.900 176.600 -0.052 0.000 1.108 324 E CA -0.326 56.054 56.400 -0.034 0.000 0.916 324 E CB 0.738 30.414 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.779 121.157 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 0.000 0.000 0.247 325 D C -1.675 174.601 176.300 -0.041 0.000 1.027 325 D CA -0.546 53.434 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 0.112 nan 8.370 nan 0.000 0.453 326 V N 3.643 123.530 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 0.000 0.000 0.312 326 V C -1.180 174.897 176.094 -0.029 0.000 1.061 326 V CA -0.796 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.980 33.766 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.943 122.626 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 0.000 0.000 0.271 327 N C -0.632 174.867 175.510 -0.018 0.000 0.985 327 N CA -0.284 52.756 53.050 -0.017 0.000 0.921 327 N CB 1.717 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 0.890 121.087 120.200 -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 0.794 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.011 124.827 122.820 -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 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.502 18.476 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 32.061 31.700 -0.226 0.000 1.188 331 F N -2.923 116.927 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 0.000 0.000 0.312 331 F C -1.077 174.657 175.800 -0.110 0.000 1.119 331 F CA -1.451 56.419 58.000 -0.217 0.000 0.979 331 F CB 0.261 39.202 39.000 -0.099 0.000 1.266 331 F HN 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.568 121.625 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.145 39.228 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.734 119.408 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 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 0.462 62.977 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 0.559 nan 4.420 nan 0.000 0.323 334 P C -1.059 176.342 177.300 0.168 0.000 1.309 334 P CA -0.127 63.067 63.100 0.156 0.000 0.739 334 P CB 0.310 32.070 31.700 0.100 0.000 1.454 335 A N -0.172 122.713 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 0.000 0.000 0.305 335 A C -0.800 176.814 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.005 19.055 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.338 121.269 119.914 0.027 0.000 2.439 336 V HA 0.306 4.426 4.120 0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA -0.001 62.309 62.300 0.016 0.000 1.002 336 V CB 0.960 32.781 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.548 120.264 115.700 0.028 0.000 3.158 337 S HA 0.385 4.855 4.470 0.000 0.000 0.215 337 S C 0.821 175.449 174.600 0.047 0.000 1.359 337 S CA -0.494 57.728 58.200 0.038 0.000 0.974 337 S CB -0.176 63.046 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.935 122.462 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 0.000 0.000 0.206 338 R C 0.029 176.359 176.300 0.051 0.000 1.356 338 R CA 0.649 56.774 56.100 0.041 0.000 1.088 338 R CB -0.145 30.168 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.530 122.477 119.914 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 0.318 32.166 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.704 124.127 120.400 0.038 0.000 2.416 340 D HA 0.304 4.944 4.640 0.000 0.000 0.240 340 D C -0.152 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.514 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.284 41.988 40.800 -0.160 0.000 1.059 340 D HN 0.499 nan 8.370 nan 0.000 0.512 341 V N 1.810 121.720 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 0.000 0.000 0.306 341 V C 0.039 176.117 176.094 -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 3.347 119.020 115.700 -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 64.368 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.363 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 0.000 0.000 0.195 343 E C 0.922 177.452 176.600 -0.117 0.000 0.990 343 E CA 1.270 57.603 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.079 120.270 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 0.000 0.000 0.234 344 D C 0.300 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.715 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.239 122.406 121.223 -0.093 0.000 2.525 345 L HA 0.013 4.353 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 -0.216 54.573 54.840 -0.084 0.000 0.878 345 L CB 0.488 42.495 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.558 120.220 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 0.000 0.000 0.282 346 S C 0.297 174.866 174.600 -0.052 0.000 1.186 346 S CA -0.780 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.452 63.627 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 0.929 177.212 176.300 -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 1.183 nan 8.270 nan 0.000 0.372 348 G N 2.845 111.631 108.800 -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 -0.925 173.962 174.900 -0.021 0.000 1.067 348 G CA -0.704 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.511 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 0.310 4.660 4.350 0.000 0.000 0.270 349 E C 0.063 176.649 176.600 -0.022 0.000 0.879 349 E CA -0.840 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.489 31.171 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.898 123.284 120.400 -0.023 0.000 2.402 350 K HA 0.065 4.385 4.320 0.000 0.000 0.279 350 K C 0.844 177.432 176.600 -0.020 0.000 1.082 350 K CA 0.397 56.670 56.287 -0.024 0.000 1.080 350 K CB 0.513 32.997 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.469 351 I N 2.979 123.539 120.570 -0.017 0.000 3.098 351 I HA 0.042 4.212 4.170 0.000 0.000 0.241 351 I C 0.841 176.951 176.117 -0.013 0.000 1.081 351 I CA 0.275 61.570 61.300 -0.008 0.000 1.487 351 I CB 0.364 38.369 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.351 120.205 120.570 -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 1.431 39.410 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.292 122.960 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.079 4.470 0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.719 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.410 63.578 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.344 122.500 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.387 54.840 -0.087 0.000 0.818 354 L CB 0.546 42.542 42.059 -0.105 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.114 116.811 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 0.000 0.000 0.309 355 V C -0.406 175.816 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.021 32.881 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.986 124.964 122.820 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 0.578 120.016 119.800 -0.604 0.000 2.387 357 Q HA 0.399 4.739 4.340 0.000 0.000 0.273 357 Q C -1.743 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.719 0.000 0.824 357 Q CB 2.772 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.984 122.142 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 0.000 0.000 0.249 358 D C -1.699 174.590 176.300 -0.017 0.000 1.112 358 D CA -1.768 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.954 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 -0.500 176.842 177.300 0.071 0.000 1.164 359 P CA 0.937 64.117 63.100 0.133 0.000 0.938 359 P CB -0.364 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 0.670 176.986 176.300 0.027 0.000 1.320 360 D CA 0.542 54.563 54.000 0.035 0.000 0.929 360 D CB -0.493 40.318 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.025 123.446 120.400 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 56.427 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 -0.569 175.434 176.000 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 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 0.000 0.000 0.319 363 Q C -0.297 175.702 176.000 -0.002 0.000 1.225 363 Q CA 1.047 56.849 55.803 -0.003 0.000 1.110 363 Q CB -0.564 28.172 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 -0.336 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.726 38.725 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.060 121.852 119.800 -0.013 0.000 2.418 365 Q HA 0.547 4.886 4.340 0.000 0.000 0.240 365 Q C -1.424 174.559 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.440 30.162 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.084 122.469 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.799 55.466 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.889 119.274 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 0.000 0.000 0.255 367 L C -1.012 175.770 176.870 -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 -1.524 114.129 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 0.000 0.000 0.299 368 S C -1.290 173.425 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.053 63.200 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.043 122.490 120.300 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 0.280 0.000 1.196 369 Y CB 0.283 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 2.890 122.969 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 0.000 0.000 0.320 370 F C -0.213 175.673 175.800 0.144 0.000 1.076 370 F CA -1.307 56.777 58.000 0.140 0.000 0.928 370 F CB 0.982 40.036 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.351 121.070 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 0.000 0.000 0.300 371 I C 1.077 177.288 176.117 0.156 0.000 1.194 371 I CA -0.305 61.091 61.300 0.160 0.000 0.968 371 I CB 1.241 39.286 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.507 109.361 108.800 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 0.415 175.326 174.900 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 0.974 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 0.000 0.000 0.242 373 N C -0.046 175.417 175.510 -0.079 0.000 1.327 373 N CA 1.021 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.414 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 -2.130 118.201 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 0.000 0.000 0.345 374 D C -2.367 173.820 176.300 -0.189 0.000 1.465 374 D CA -0.376 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.179 39.568 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.170 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.099 177.300 -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 31.879 31.700 -0.527 0.000 0.865 376 A N 2.320 124.774 122.820 -0.610 0.000 2.587 376 A HA -0.070 4.250 4.320 0.000 0.000 0.235 376 A C 0.663 177.814 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.760 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.742 122.042 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.031 57.048 56.100 -0.137 0.000 0.895 377 R CB -0.221 30.072 30.300 -0.012 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.069 125.345 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 0.000 0.000 0.188 378 W C 0.507 177.009 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.161 57.345 -0.049 0.000 2.369 378 W CB -1.221 28.190 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.897 123.306 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 0.000 0.000 0.288 379 L C -0.034 176.887 176.870 0.084 0.000 1.246 379 L CA 0.840 55.778 54.840 0.164 0.000 0.844 379 L CB -0.463 41.691 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.606 115.190 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 0.000 0.000 0.330 380 T C -0.642 174.055 174.700 -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 0.071 176.135 176.094 -0.050 0.000 1.040 381 V CA -0.935 61.343 62.300 -0.036 0.000 0.913 381 V CB 1.751 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 3.403 122.066 118.700 -0.062 0.000 2.414 382 N HA 0.276 5.016 4.740 0.000 0.000 0.256 382 N C 0.544 176.037 175.510 -0.028 0.000 1.029 382 N CA -0.369 52.649 53.050 -0.053 0.000 0.948 382 N CB 1.613 40.064 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 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 0.000 0.000 0.202 383 K C -0.056 176.702 176.600 0.263 0.000 1.051 383 K CA 0.953 57.274 56.287 0.056 0.000 0.952 383 K CB 0.360 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 -0.137 120.355 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 0.000 0.000 0.224 384 D C 0.229 176.641 176.300 0.187 0.000 1.123 384 D CA 0.327 54.438 54.000 0.186 0.000 0.833 384 D CB 0.181 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.132 118.629 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 0.000 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.003 53.010 53.050 -0.071 0.000 0.737 385 N CB 0.817 39.274 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.741 108.800 -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 0.617 45.059 45.100 -1.097 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.677 121.091 120.570 -0.260 0.000 2.439 387 I HA 0.297 4.467 4.170 0.000 0.000 0.285 387 I C 0.147 176.199 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.129 40.062 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.084 124.944 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.977 32.770 31.823 -0.051 0.000 1.002 388 V HN 0.888 nan 8.190 nan 0.000 0.464 389 T N 1.648 116.192 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 0.000 0.000 0.283 389 T C 0.213 174.922 174.700 0.014 0.000 1.012 389 T CA -0.413 61.682 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 -0.743 174.158 174.900 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 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 0.000 0.000 0.279 391 N C 0.574 176.086 175.510 0.003 0.000 1.182 391 N CA 0.209 53.270 53.050 0.017 0.000 0.969 391 N CB 1.750 40.261 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 -1.027 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.781 117.777 118.700 -0.237 0.000 2.421 393 N HA 0.688 5.428 4.740 0.000 0.000 0.285 393 N C 0.012 175.222 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.719 39.123 38.487 -0.138 0.000 1.152 393 N HN 0.584 nan 8.380 nan 0.000 0.485 394 L N 1.683 122.576 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 0.000 0.000 0.265 394 L C -0.681 175.970 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.515 43.055 42.059 -0.864 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.540 118.695 120.400 -0.275 0.000 2.266 395 D HA 0.183 4.823 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 -0.319 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.831 41.596 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.464 121.942 120.500 -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 1.622 57.734 56.100 0.021 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 -0.679 119.538 120.200 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 1.355 57.778 56.400 0.037 0.000 0.841 397 E CB 0.093 29.808 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.501 113.243 115.700 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 0.112 63.340 63.200 0.047 0.000 0.988 398 S HN 0.215 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.446 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 0.000 0.000 0.202 399 E C 1.078 177.662 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.000 0.000 1.048 399 E CB -0.180 29.447 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.069 121.438 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 0.000 0.000 0.294 400 Y C 0.801 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.388 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.683 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.936 123.076 119.914 0.377 0.000 2.583 401 V HA -0.191 3.929 4.120 0.000 0.000 0.302 401 V C 0.566 176.761 176.094 0.169 0.000 1.033 401 V CA 0.547 63.012 62.300 0.275 0.000 1.194 401 V CB 0.080 32.034 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.436 123.919 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 0.000 0.000 0.224 402 K C 0.880 177.516 176.600 0.059 0.000 1.089 402 K CA -0.386 55.950 56.287 0.082 0.000 1.162 402 K CB -0.033 32.508 32.500 0.067 0.000 1.585 402 K HN 0.596 nan 8.250 nan 0.000 0.466 403 N N 1.311 120.035 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 0.000 0.000 0.277 403 N C 0.322 175.846 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.022 0.000 0.949 403 N CB 0.137 38.625 38.487 0.001 0.000 1.136 403 N HN 0.131 nan 8.380 nan 0.000 0.550 404 N N -1.279 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.120 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 0.414 53.450 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 -1.827 112.739 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 0.000 0.000 0.277 405 T C -0.971 173.867 174.700 0.230 0.000 0.973 405 T CA -0.323 61.820 62.100 0.071 0.000 0.949 405 T CB 0.816 69.700 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.714 121.048 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 0.000 0.000 0.316 406 Y C -0.865 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.393 58.100 0.071 0.000 1.257 406 Y CB 0.654 39.210 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.118 117.367 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 0.000 0.000 0.279 407 T C -0.861 173.533 174.700 -0.510 0.000 0.998 407 T CA -0.846 61.042 62.100 -0.353 0.000 0.994 407 T CB 2.132 70.875 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.988 122.719 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 0.000 0.000 0.309 408 V C -0.634 175.387 176.094 -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 -0.269 175.861 176.117 0.022 0.000 1.025 409 I CA -0.558 60.733 61.300 -0.014 0.000 1.086 409 I CB 1.999 40.007 38.000 0.014 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.443 124.091 119.600 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 0.448 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.637 35.237 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.401 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 0.000 0.000 0.257 411 L C -1.204 175.958 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.556 44.717 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.404 119.567 119.914 0.094 0.000 3.000 412 V HA 0.522 4.642 4.120 0.000 0.000 0.300 412 V C -1.316 174.677 176.094 -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 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.156 117.609 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 0.000 0.000 0.282 413 T C -1.093 173.514 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.228 69.945 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 0.026 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.095 54.031 54.000 -0.106 0.000 0.895 414 D CB 0.366 41.113 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.808 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 0.000 0.000 0.247 415 D C 1.069 177.349 176.300 -0.034 0.000 1.134 415 D CA -0.007 53.967 54.000 -0.043 0.000 1.099 415 D CB 1.487 42.272 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.004 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 416 G C 0.870 175.761 174.900 -0.016 0.000 1.177 416 G CA 1.222 46.312 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.481 115.421 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 0.000 0.000 0.268 417 V C 0.935 177.015 176.094 -0.024 0.000 1.631 417 V CA 1.534 63.822 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.223 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.521 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 0.000 0.000 0.119 418 S C -0.490 174.084 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.261 64.441 63.200 -0.034 0.000 2.079 418 S HN 0.405 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 -0.073 0.000 1.352 419 V CA 0.157 62.419 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.449 31.823 -0.060 0.000 1.101 419 V HN 1.008 nan 8.190 nan 0.000 0.446 420 G N 0.627 109.373 108.800 -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 -0.145 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 2.155 70.961 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 -0.214 0.000 2.845 422 G HA2 0.506 4.466 3.960 0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 0.000 0.000 0.282 422 G C -0.506 174.218 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.648 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.094 0.000 0.997 423 T CB 1.767 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 2.498 111.630 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 0.000 0.000 0.308 424 G C -0.221 174.811 174.900 0.220 0.000 1.369 424 G CA -0.751 44.675 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.210 116.836 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.619 62.100 0.031 0.000 1.049 425 T CB 1.626 70.506 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.265 124.462 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 0.000 0.000 0.266 426 L C -1.291 175.553 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.109 43.122 42.059 -0.077 0.000 1.232 426 L HN 0.829 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.553 120.570 -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 -0.783 60.517 61.300 -0.002 0.000 1.225 427 I CB 1.475 39.472 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.011 127.292 121.223 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 -0.759 54.168 54.840 0.145 0.000 0.828 428 L CB 1.448 43.608 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.150 123.266 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.216 56.305 56.048 0.068 0.000 1.477 429 H CB 0.842 30.631 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.609 126.750 119.914 0.379 0.000 3.083 430 V HA 0.208 4.328 4.120 0.000 0.000 0.306 430 V C 0.847 177.087 176.094 0.244 0.000 1.077 430 V CA -0.555 61.881 62.300 0.228 0.000 1.073 430 V CB 1.498 33.414 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.854 122.129 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 0.000 0.000 0.259 431 L C -0.982 175.902 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.407 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.128 120.539 120.400 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 1.791 42.606 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.091 122.000 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 0.000 0.000 0.314 433 V C -0.160 175.930 176.094 -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 1.299 119.995 118.700 -0.008 0.000 2.602 434 N HA 0.260 5.000 4.740 0.000 0.000 0.238 434 N C 0.094 175.602 175.510 -0.003 0.000 1.084 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.952 434 N CB 0.560 39.044 38.487 -0.005 0.000 1.244 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.229 121.628 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 0.000 0.000 0.231 435 D C 0.179 176.482 176.300 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 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.372 5.112 4.740 0.000 0.000 0.223 436 N C 0.185 175.712 175.510 0.030 0.000 1.339 436 N CA 0.374 53.437 53.050 0.021 0.000 0.889 436 N CB 0.212 38.715 38.487 0.025 0.000 1.128 436 N HN 0.306 nan 8.380 nan 0.000 0.456 437 G N -1.945 106.880 108.800 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 -2.928 172.026 174.900 0.090 0.000 1.341 437 G CA -1.369 43.767 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 63.373 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 3.466 123.394 119.914 0.025 0.000 2.891 439 V HA 0.286 4.406 4.120 0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.919 60.380 62.300 -0.002 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 0.694 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.082 63.160 63.100 -0.036 0.000 0.771 440 P CB 0.875 32.564 31.700 -0.020 0.000 0.864 441 S N 4.543 120.228 115.700 -0.026 0.000 2.343 441 S HA 0.024 4.494 4.470 0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.660 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.426 60.758 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.467 nan 4.420 nan 0.000 0.284 442 P C -0.466 176.874 177.300 0.067 0.000 1.253 442 P CA -0.489 62.645 63.100 0.057 0.000 0.800 442 P CB 1.042 32.799 31.700 0.095 0.000 0.961 443 R N 0.565 121.060 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 0.000 0.000 0.223 443 R C -0.315 175.833 176.300 -0.254 0.000 0.899 443 R CA 0.107 56.139 56.100 -0.113 0.000 1.059 443 R CB 0.626 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 1.241 121.055 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 0.000 0.000 0.304 444 V C -0.542 175.552 176.094 0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.258 0.000 0.894 444 V CB 1.837 33.565 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.254 121.133 119.950 -0.118 0.000 2.452 445 F HA 0.722 5.248 4.527 0.000 0.000 0.353 445 F C 0.636 176.393 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.677 40.612 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.780 116.458 114.554 0.207 0.000 3.233 446 T HA 0.231 4.581 4.350 0.000 0.000 0.324 446 T C -0.392 174.367 174.700 0.098 0.000 0.992 446 T CA -0.535 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 0.454 4.934 4.480 0.000 0.000 0.305 447 M C 0.388 176.742 176.300 0.089 0.000 1.162 447 M CA -0.283 55.086 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 0.252 118.896 118.600 0.075 0.000 2.451 448 c HA 0.286 4.856 4.570 0.000 0.000 0.391 448 c C 1.450 175.579 174.090 0.065 0.000 1.286 448 c CA -0.322 56.042 56.329 0.059 0.000 1.935 448 c CB 1.552 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.500 119.929 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.254 54.000 0.043 0.000 0.950 449 D CB -0.225 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 -0.024 119.787 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 450 Q C 0.223 176.229 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.478 28.265 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.423 118.284 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.826 52.230 53.050 0.011 0.000 0.747 451 N CB 1.611 40.101 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.076 177.300 0.020 0.000 1.193 452 P CA 0.127 63.247 63.100 0.033 0.000 0.765 452 P CB 0.489 32.228 31.700 0.065 0.000 0.823 453 E N 4.279 124.482 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 0.000 0.000 0.265 453 E C -2.318 174.269 176.600 -0.022 0.000 1.069 453 E CA -2.571 53.825 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 0.246 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 63.529 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 -0.380 55.188 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 5.317 125.090 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 0.000 0.000 0.300 456 V C 0.075 176.064 176.094 -0.175 0.000 1.044 456 V CA -0.131 62.070 62.300 -0.165 0.000 1.095 456 V CB 0.407 32.164 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.439 125.586 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 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 0.003 114.511 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 0.000 0.000 0.282 458 T C -0.888 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.419 70.233 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.462 121.916 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 0.000 0.000 0.299 459 I C -0.408 175.618 176.117 -0.152 0.000 1.059 459 I CA -0.523 60.630 61.300 -0.245 0.000 1.055 459 I CB 2.539 40.190 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.540 118.199 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 0.000 0.000 0.276 460 S C -1.551 173.084 174.600 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 1.033 121.487 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.129 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.947 125.796 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 0.000 0.000 0.209 462 A C 0.703 178.310 177.584 0.038 0.000 1.161 462 A CA 0.450 52.510 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 -0.681 119.744 120.400 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 -0.121 53.901 54.000 0.037 0.000 0.977 463 D CB 1.002 41.821 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.440 121.033 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 0.000 0.000 0.301 464 I C -2.569 173.574 176.117 0.042 0.000 0.984 464 I CA -2.703 58.623 61.300 0.043 0.000 1.204 464 I CB 1.330 39.357 38.000 0.045 0.000 1.362 464 I HN 0.012 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 -0.009 31.729 31.700 0.065 0.000 0.855 466 P HA -0.047 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 1.154 64.280 63.100 0.043 0.000 0.812 466 P CB -0.383 31.308 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 -0.184 4.556 4.740 0.000 0.000 0.207 467 N C 0.664 176.181 175.510 0.012 0.000 1.074 467 N CA 1.537 54.596 53.050 0.016 0.000 0.951 467 N CB -0.370 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 -4.864 109.711 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 0.000 0.000 0.295 468 T C 0.104 174.787 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.359 68.562 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.133 123.365 120.300 -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 -0.755 57.285 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 -0.173 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.442 0.000 1.181 470 P CA 1.281 64.059 63.100 -0.536 0.000 0.767 470 P CB 0.121 31.422 31.700 -0.664 0.000 0.799 471 Y N 0.759 121.013 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 471 Y C 0.933 176.835 175.900 0.004 0.000 1.276 471 Y CA -0.075 58.013 58.100 -0.020 0.000 1.418 471 Y CB 1.115 39.559 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.751 121.277 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 0.000 0.000 0.264 472 K C -1.929 174.748 176.600 0.128 0.000 1.040 472 K CA -0.331 56.030 56.287 0.124 0.000 0.946 472 K CB 1.910 34.456 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.857 121.832 119.914 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 1.577 33.432 31.823 0.054 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.346 120.089 115.700 0.071 0.000 2.546 474 S HA 0.654 5.124 4.470 0.000 0.000 0.272 474 S C -0.972 173.678 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.510 64.749 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.356 123.636 121.223 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 1.947 117.723 115.700 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 1.219 59.469 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.003 0.000 1.033 476 S HN 0.763 nan 8.310 nan 0.000 0.398 477 H N -0.634 118.376 119.070 -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 0.550 56.562 56.048 -0.060 0.000 1.336 477 H CB -0.538 29.128 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.648 109.614 108.800 0.277 0.000 3.008 478 G HA2 0.024 3.984 3.960 0.000 0.000 0.272 478 G HA3 0.024 3.984 3.960 0.000 0.000 0.272 478 G C 0.740 175.810 174.900 0.283 0.000 0.764 478 G CA 0.265 45.526 45.100 0.268 0.000 2.029 478 G HN 0.425 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 0.230 174.921 174.600 0.151 0.000 0.966 479 S CA -0.235 58.067 58.200 0.171 0.000 0.911 479 S CB 0.566 63.834 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.005 120.485 120.400 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 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.041 41.852 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.978 122.199 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 0.000 0.000 0.338 481 L C -0.577 176.080 176.870 -0.356 0.000 1.275 481 L CA 0.351 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.412 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 -0.343 114.034 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 0.000 0.000 0.677 482 T C -0.987 173.267 174.700 -0.743 0.000 0.963 482 T CA 1.334 63.190 62.100 -0.406 0.000 3.590 482 T CB -1.170 67.455 68.868 -0.404 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.977 123.321 121.300 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 56.346 57.345 0.087 0.000 1.225 483 W CB 1.659 31.189 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 -0.350 176.343 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.509 34.079 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.627 126.519 122.820 0.120 0.000 2.407 485 A HA 0.402 4.722 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 0.221 52.305 52.037 0.078 0.000 0.785 485 A CB 0.422 19.466 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.527 120.744 120.200 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 55.956 56.400 0.015 0.000 0.820 486 E CB 1.345 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 1.157 122.377 121.223 -0.004 0.000 2.331 487 L HA 0.416 4.756 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 43.284 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.526 120.906 120.400 -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 0.139 54.121 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 2.974 118.665 115.700 -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 59.034 58.200 -0.009 0.000 0.996 489 S CB -0.160 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.551 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 1.303 177.888 176.600 -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 0.567 nan 8.250 nan 0.000 0.372 491 G N 0.083 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 0.000 0.000 0.276 491 G C 1.064 175.926 174.900 -0.063 0.000 1.357 491 G CA 1.001 46.077 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.279 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 0.000 0.000 0.268 492 T C 1.702 176.308 174.700 -0.156 0.000 1.034 492 T CA 2.891 64.918 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 1.870 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 -0.211 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.013 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.288 64.440 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.582 120.126 119.600 -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 34.027 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.784 124.982 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 0.000 0.000 0.289 495 L C -1.041 175.820 176.870 -0.015 0.000 1.046 495 L CA -0.717 54.099 54.840 -0.038 0.000 0.816 495 L CB 1.089 43.135 42.059 -0.021 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.603 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 0.000 0.000 0.289 496 L C -0.344 176.582 176.870 0.093 0.000 1.033 496 L CA 0.511 55.359 54.840 0.012 0.000 0.814 496 L CB 1.316 43.325 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.498 121.326 115.700 0.213 0.000 2.548 497 S HA 0.628 5.098 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 2.052 65.315 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.277 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.163 63.131 63.100 -0.219 0.000 0.757 498 P CB 0.439 31.896 31.700 -0.404 0.000 1.377 499 T N -3.828 110.615 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 0.000 0.000 0.298 499 T C -0.462 174.162 174.700 -0.126 0.000 0.874 499 T CA -0.037 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.284 68.548 68.868 -0.060 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.908 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 0.000 0.000 0.276 500 Q C -0.241 175.670 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.852 30.468 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.373 121.109 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 0.000 0.000 0.205 501 Q C 0.058 176.015 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.110 28.818 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.998 123.151 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 0.000 0.000 0.315 502 L C 0.692 177.536 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.178 42.104 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.898 122.257 120.400 -0.069 0.000 2.505 503 K HA -0.088 4.232 4.320 0.000 0.000 0.272 503 K C 0.034 176.688 176.600 0.089 0.000 0.963 503 K CA 0.044 56.324 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 2.164 122.608 120.400 0.072 0.000 2.021 504 K HA 0.028 4.348 4.320 0.000 0.000 0.238 504 K C 0.507 177.184 176.600 0.128 0.000 1.149 504 K CA 0.620 56.961 56.287 0.091 0.000 1.105 504 K CB -1.034 31.498 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.079 111.994 108.800 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 -0.734 174.315 174.900 0.248 0.000 1.461 505 G CA -0.354 44.858 45.100 0.187 0.000 0.897 505 G HN 0.888 nan 8.290 nan 0.000 0.547 506 D N -1.522 118.952 120.400 0.123 0.000 3.478 506 D HA 0.010 4.650 4.640 0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.777 39.064 40.800 0.068 0.000 0.820 506 D HN 2.238 nan 8.370 nan 0.000 0.393 507 Y N -1.659 118.638 120.300 -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 4.088 119.768 115.700 -0.034 0.000 2.686 508 S HA 0.771 5.241 4.470 0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.536 58.200 -0.249 0.000 0.990 508 S CB 1.934 64.928 63.200 -0.344 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.404 120.736 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 0.000 0.000 0.286 509 I C -1.968 173.990 176.117 -0.265 0.000 1.094 509 I CA -0.996 60.078 61.300 -0.378 0.000 1.055 509 I CB 1.017 38.556 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 0.356 176.244 175.900 -0.019 0.000 1.049 510 Y CA 0.023 58.113 58.100 -0.017 0.000 1.294 510 Y CB 1.003 39.487 38.460 0.039 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.015 124.991 119.914 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 33.700 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.889 125.154 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 0.000 0.000 0.264 512 L C -1.384 175.530 176.870 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 43.151 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.609 123.883 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 0.000 0.000 0.264 513 L C -0.134 176.810 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.075 44.241 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.449 115.700 0.161 0.000 2.565 514 S HA 0.267 4.737 4.470 0.000 0.000 0.274 514 S C -0.977 173.575 174.600 -0.080 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 -0.599 119.710 120.400 -0.152 0.000 2.449 515 D HA 0.408 5.048 4.640 0.000 0.000 0.255 515 D C 0.827 177.033 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.332 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 1.303 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.030 53.043 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.054 nan 8.150 nan 0.000 0.501 517 Q N -2.933 116.847 119.800 -0.033 0.000 7.952 517 Q HA -0.107 4.233 4.340 0.000 0.000 0.369 517 Q C 0.539 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.755 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 0.943 119.640 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 0.000 0.000 0.230 518 N C 0.016 175.534 175.510 0.014 0.000 1.021 518 N CA 2.077 55.129 53.050 0.003 0.000 1.156 518 N CB -0.698 37.791 38.487 0.003 0.000 1.117 518 N HN 0.627 nan 8.380 nan 0.000 0.614 519 N N -3.089 115.624 118.700 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 -0.934 37.566 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.082 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.942 64.072 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 2.624 122.451 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 0.000 0.000 0.265 521 Q C 0.217 176.246 176.000 0.048 0.000 1.080 521 Q CA 0.292 56.122 55.803 0.045 0.000 0.906 521 Q CB 0.485 29.244 28.738 0.034 0.000 1.227 521 Q HN 0.503 nan 8.270 nan 0.000 0.409 522 L N 1.119 122.376 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 0.000 0.000 0.220 522 L C 0.321 177.227 176.870 0.061 0.000 1.797 522 L CA -0.131 54.734 54.840 0.043 0.000 2.814 522 L CB 1.851 43.925 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.540 113.034 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 0.000 0.000 0.268 523 T C -1.629 173.023 174.700 -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 69.359 68.868 0.003 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.486 121.288 119.914 -0.186 0.000 2.530 524 V HA 0.792 4.912 4.120 0.000 0.000 0.282 524 V C -0.485 175.444 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.683 62.300 -0.330 0.000 0.997 524 V CB 0.877 32.486 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.871 124.569 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 0.000 0.000 0.267 525 V C 0.019 175.705 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.712 32.348 31.823 -0.310 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.501 120.860 118.700 -0.568 0.000 2.237 526 N HA 0.366 5.106 4.740 0.000 0.000 0.222 526 N C 0.156 175.180 175.510 -0.812 0.000 1.311 526 N CA 0.519 53.229 53.050 -0.567 0.000 0.880 526 N CB 0.638 38.900 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 0.400 4.720 4.320 0.000 0.000 0.280 527 A C -0.627 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.620 0.000 0.744 527 A CB 0.453 19.061 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.708 117.152 114.554 -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 62.071 62.100 -0.066 0.000 0.997 528 T CB 0.339 69.182 68.868 -0.042 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.647 123.599 119.914 0.063 0.000 2.630 529 V HA 0.711 4.831 4.120 0.000 0.000 0.305 529 V C 0.343 176.489 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.315 33.257 31.823 0.198 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.808 119.452 118.600 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 55.453 56.329 0.053 0.000 1.347 530 c CB 0.658 43.192 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.069 116.792 115.700 0.038 0.000 2.817 531 S HA 0.300 4.770 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 0.809 59.028 58.200 0.031 0.000 1.027 531 S CB -0.449 62.765 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.583 121.197 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 0.000 0.000 0.353 532 c C 0.661 174.761 174.090 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 -0.223 119.986 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 0.000 0.000 0.224 533 E C 1.009 177.616 176.600 0.012 0.000 1.068 533 E CA 1.418 57.825 56.400 0.011 0.000 1.043 533 E CB 0.147 29.851 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.321 108.484 108.800 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 -0.259 174.644 174.900 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 1.382 121.785 120.400 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 2.137 34.636 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 -0.049 4.271 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 0.461 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 1.651 122.229 120.570 0.014 0.000 2.822 537 I HA 0.412 4.582 4.170 0.000 0.000 0.312 537 I C 0.533 176.660 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.316 39.324 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.506 123.913 120.400 0.012 0.000 2.401 538 K HA 0.135 4.455 4.320 0.000 0.000 0.278 538 K C -0.297 176.312 176.600 0.015 0.000 1.018 538 K CA -0.348 55.947 56.287 0.012 0.000 0.981 538 K CB 0.782 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 0.111 174.210 174.090 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