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 1l3w_1_A 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 -0.064 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 0.065 0.000 0.688 2 W N 2.189 123.482 121.300 -0.012 0.000 2.289 2 W HA 0.432 5.069 4.660 -0.039 0.000 0.342 2 W C 0.756 177.264 176.519 -0.018 0.000 0.958 2 W CA -0.631 56.705 57.345 -0.015 0.000 1.492 2 W CB 0.601 30.052 29.460 -0.016 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.838 121.883 119.914 0.219 0.000 4.690 3 V HA 0.397 4.493 4.120 -0.041 0.000 0.267 3 V C -0.004 176.156 176.094 0.110 0.000 1.088 3 V CA -0.394 61.981 62.300 0.126 0.000 0.686 3 V CB 0.315 32.177 31.823 0.065 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.883 121.488 120.570 0.059 0.000 2.563 4 I HA 0.547 4.692 4.170 -0.041 0.000 0.285 4 I C -2.733 173.398 176.117 0.024 0.000 1.123 4 I CA -2.016 59.304 61.300 0.032 0.000 1.059 4 I CB 1.864 39.865 38.000 0.002 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.232 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.760 177.300 0.012 0.000 1.193 5 P CA -0.477 62.638 63.100 0.024 0.000 0.770 5 P CB -0.395 31.323 31.700 0.029 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.771 177.300 0.010 0.000 1.215 6 P CA 0.229 63.334 63.100 0.008 0.000 0.780 6 P CB 0.373 32.082 31.700 0.015 0.000 0.898 7 I N 1.903 122.476 120.570 0.005 0.000 2.354 7 I HA 0.219 4.364 4.170 -0.041 0.000 0.286 7 I C 0.044 176.177 176.117 0.027 0.000 1.007 7 I CA -1.207 60.101 61.300 0.013 0.000 1.167 7 I CB 1.079 39.082 38.000 0.005 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.798 126.218 120.400 0.034 0.000 2.350 8 K HA 0.552 4.847 4.320 -0.041 0.000 0.279 8 K C -0.613 176.017 176.600 0.050 0.000 1.027 8 K CA -0.453 55.859 56.287 0.042 0.000 0.969 8 K CB 0.769 33.290 32.500 0.036 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.994 120.945 119.914 0.062 0.000 2.808 9 V HA 0.337 4.432 4.120 -0.041 0.000 0.308 9 V C -0.215 175.921 176.094 0.070 0.000 1.099 9 V CA -1.025 61.318 62.300 0.071 0.000 0.920 9 V CB 2.119 33.998 31.823 0.094 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.167 117.904 115.700 0.062 0.000 2.614 10 S HA 0.362 4.807 4.470 -0.041 0.000 0.265 10 S C -0.187 174.455 174.600 0.069 0.000 1.303 10 S CA -0.314 57.921 58.200 0.058 0.000 1.000 10 S CB 0.968 64.195 63.200 0.045 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.206 121.444 120.200 0.064 0.000 2.248 11 E HA 0.255 4.581 4.350 -0.041 0.000 0.272 11 E C -0.632 176.005 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.975 29.700 0.065 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 4.486 4.740 -0.041 0.000 0.251 12 N C -0.750 174.804 175.510 0.074 0.000 1.031 12 N CA 0.577 53.661 53.050 0.058 0.000 0.720 12 N CB -0.727 37.787 38.487 0.044 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.416 4.741 4.350 -0.041 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.327 56.150 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.169 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.196 121.756 120.500 0.101 0.000 2.725 14 R HA 0.446 4.761 4.340 -0.041 0.000 0.276 14 R C -1.127 175.135 176.300 -0.065 0.000 1.189 14 R CA 0.317 56.471 56.100 0.090 0.000 1.083 14 R CB 1.075 31.426 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.555 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.378 3.960 -0.041 0.000 0.238 15 G HA3 0.443 4.378 3.960 -0.041 0.000 0.238 15 G C -2.809 171.869 174.900 -0.369 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 -1.352 175.675 177.300 -0.455 0.000 1.313 16 P CA -0.140 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.033 32.625 31.700 -0.180 0.000 0.910 17 F N 3.767 123.688 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.914 4.527 -0.024 0.000 0.328 17 F C -1.009 174.756 175.800 -0.059 0.000 1.094 17 F CA -1.411 56.554 58.000 -0.058 0.000 1.093 17 F CB 0.020 38.984 39.000 -0.059 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.736 177.300 -0.051 0.000 1.293 18 P CA -0.362 62.792 63.100 0.090 0.000 0.770 18 P CB 0.544 32.268 31.700 0.040 0.000 1.206 19 K N 0.208 120.612 120.400 0.006 0.000 2.615 19 K HA 0.313 4.608 4.320 -0.041 0.000 0.249 19 K C -0.845 175.742 176.600 -0.022 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.056 0.000 0.833 19 K CB 1.173 33.654 32.500 -0.031 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.481 123.916 120.500 -0.107 0.000 2.442 20 R HA 0.196 4.511 4.340 -0.041 0.000 0.291 20 R C 0.371 176.687 176.300 0.026 0.000 1.069 20 R CA -0.096 55.945 56.100 -0.099 0.000 1.022 20 R CB 0.548 30.591 30.300 -0.427 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.949 124.256 121.223 0.139 0.000 2.379 21 L HA 0.264 4.580 4.340 -0.041 0.000 0.190 21 L C 0.319 177.307 176.870 0.197 0.000 1.111 21 L CA 0.849 55.773 54.840 0.141 0.000 0.820 21 L CB 0.133 42.273 42.059 0.135 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.549 118.522 119.914 0.262 0.000 3.258 22 V HA 0.429 4.525 4.120 -0.041 0.000 0.299 22 V C -1.885 174.251 176.094 0.069 0.000 1.376 22 V CA -0.623 61.800 62.300 0.205 0.000 1.063 22 V CB 2.254 34.100 31.823 0.039 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.256 122.821 119.800 -0.391 0.000 2.340 23 Q HA 0.721 5.036 4.340 -0.041 0.000 0.268 23 Q C -1.250 174.408 176.000 -0.570 0.000 1.031 23 Q CA -0.711 54.577 55.803 -0.857 0.000 0.804 23 Q CB 1.921 29.499 28.738 -1.933 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N -0.880 119.361 120.570 -0.549 0.000 2.603 24 I HA 0.907 5.052 4.170 -0.041 0.000 0.300 24 I C -1.181 174.589 176.117 -0.578 0.000 1.017 24 I CA -0.755 60.270 61.300 -0.458 0.000 1.098 24 I CB 1.772 39.556 38.000 -0.360 0.000 1.279 24 I HN 0.575 nan 8.210 nan 0.000 0.437 25 K N 3.175 123.361 120.400 -0.357 0.000 2.482 25 K HA 0.647 4.942 4.320 -0.041 0.000 0.251 25 K C -0.933 175.654 176.600 -0.021 0.000 0.936 25 K CA -0.671 55.480 56.287 -0.227 0.000 0.791 25 K CB 1.719 34.113 32.500 -0.178 0.000 1.213 25 K HN 0.779 nan 8.250 nan 0.000 0.428 26 S N 0.228 116.040 115.700 0.186 0.000 2.508 26 S HA 0.211 4.656 4.470 -0.041 0.000 0.284 26 S C 0.950 175.605 174.600 0.093 0.000 1.192 26 S CA -0.034 58.262 58.200 0.160 0.000 1.070 26 S CB 0.290 63.620 63.200 0.216 0.000 1.004 26 S HN 0.816 nan 8.310 nan 0.000 0.493 27 N N 2.903 121.631 118.700 0.048 0.000 2.299 27 N HA 0.096 4.811 4.740 -0.041 0.000 0.187 27 N C 0.893 176.420 175.510 0.028 0.000 1.099 27 N CA -0.216 52.849 53.050 0.026 0.000 0.867 27 N CB 0.012 38.504 38.487 0.007 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.566 120.400 0.037 0.000 2.630 28 K HA -0.033 4.262 4.320 -0.041 0.000 0.204 28 K C -0.003 176.612 176.600 0.026 0.000 1.024 28 K CA 0.384 56.688 56.287 0.029 0.000 1.157 28 K CB 0.032 32.551 32.500 0.031 0.000 0.899 28 K HN 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.801 118.618 120.400 0.030 0.000 2.339 29 D HA -0.052 4.564 4.640 -0.041 0.000 0.217 29 D C 1.819 178.131 176.300 0.020 0.000 1.050 29 D CA 0.036 54.052 54.000 0.026 0.000 0.856 29 D CB 0.162 40.987 40.800 0.042 0.000 0.922 29 D HN 0.066 nan 8.370 nan 0.000 0.518 30 R N 0.185 120.695 120.500 0.017 0.000 2.127 30 R HA -0.033 4.283 4.340 -0.041 0.000 0.238 30 R C 2.426 178.734 176.300 0.013 0.000 1.134 30 R CA 2.041 58.149 56.100 0.013 0.000 0.975 30 R CB -2.145 28.162 30.300 0.011 0.000 0.865 30 R HN 0.481 nan 8.270 nan 0.000 0.447 31 F N -0.366 119.592 119.950 0.013 0.000 2.147 31 F HA 0.332 4.834 4.527 -0.041 0.000 0.291 31 F C 1.589 177.398 175.800 0.014 0.000 1.093 31 F CA 1.465 59.472 58.000 0.012 0.000 1.263 31 F CB -0.937 38.070 39.000 0.011 0.000 1.036 31 F HN 0.914 nan 8.300 nan 0.000 0.481 32 N N -0.362 118.347 118.700 0.015 0.000 3.343 32 N HA 0.662 5.377 4.740 -0.041 0.000 0.330 32 N C -0.073 175.452 175.510 0.025 0.000 1.560 32 N CA -0.140 52.922 53.050 0.019 0.000 0.752 32 N CB 0.267 38.763 38.487 0.016 0.000 1.863 32 N HN 0.888 nan 8.380 nan 0.000 0.636 33 K N 0.229 120.653 120.400 0.039 0.000 2.205 33 K HA 0.682 4.977 4.320 -0.041 0.000 0.279 33 K C -0.349 176.274 176.600 0.038 0.000 1.027 33 K CA -0.482 55.839 56.287 0.057 0.000 0.932 33 K CB 0.518 33.081 32.500 0.105 0.000 1.032 33 K HN 0.817 nan 8.250 nan 0.000 0.466 34 V N 2.135 122.039 119.914 -0.017 0.000 2.483 34 V HA 0.369 4.465 4.120 -0.041 0.000 0.295 34 V C -0.946 175.032 176.094 -0.193 0.000 1.035 34 V CA -0.821 61.391 62.300 -0.146 0.000 0.896 34 V CB 1.160 32.802 31.823 -0.303 0.000 0.986 34 V HN 0.802 nan 8.190 nan 0.000 0.447 35 Y N 4.800 124.949 120.300 -0.251 0.000 2.369 35 Y HA 0.511 5.039 4.550 -0.038 0.000 0.337 35 Y C -0.574 175.229 175.900 -0.163 0.000 0.961 35 Y CA -0.702 57.346 58.100 -0.087 0.000 1.186 35 Y CB 0.710 39.182 38.460 0.019 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.536 124.796 120.300 -0.066 0.000 2.336 36 Y HA 0.377 4.905 4.550 -0.036 0.000 0.335 36 Y C 0.711 176.591 175.900 -0.034 0.000 1.046 36 Y CA -0.047 58.041 58.100 -0.020 0.000 1.198 36 Y CB 0.943 39.374 38.460 -0.049 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.060 119.925 115.700 0.276 0.000 2.811 37 S HA 0.848 5.293 4.470 -0.041 0.000 0.311 37 S C -1.120 173.634 174.600 0.257 0.000 1.152 37 S CA -0.886 57.478 58.200 0.273 0.000 0.864 37 S CB 2.435 65.844 63.200 0.348 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.663 121.383 120.570 0.250 0.000 2.800 38 I HA 0.547 4.693 4.170 -0.041 0.000 0.294 38 I C -1.728 174.506 176.117 0.195 0.000 1.538 38 I CA -0.223 61.182 61.300 0.175 0.000 1.010 38 I CB 1.999 40.053 38.000 0.090 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.428 117.086 114.554 0.173 0.000 2.906 39 T HA 1.002 5.328 4.350 -0.041 0.000 0.295 39 T C -0.264 174.497 174.700 0.103 0.000 1.075 39 T CA -0.129 62.070 62.100 0.165 0.000 1.005 39 T CB 2.019 71.031 68.868 0.239 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.542 109.397 108.800 0.091 0.000 2.346 40 G HA2 0.216 4.151 3.960 -0.041 0.000 0.294 40 G HA3 0.216 4.151 3.960 -0.041 0.000 0.294 40 G C -1.610 173.329 174.900 0.066 0.000 1.294 40 G CA -1.096 44.043 45.100 0.065 0.000 0.962 40 G HN 0.901 nan 8.290 nan 0.000 0.508 41 Q N -0.062 119.764 119.800 0.043 0.000 2.313 41 Q HA 0.423 4.738 4.340 -0.041 0.000 0.266 41 Q C 1.305 177.377 176.000 0.120 0.000 0.989 41 Q CA 1.248 57.062 55.803 0.019 0.000 0.890 41 Q CB 1.087 29.781 28.738 -0.072 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.365 110.255 108.800 0.151 0.000 2.241 42 G HA2 -0.334 3.601 3.960 -0.041 0.000 0.244 42 G HA3 -0.334 3.601 3.960 -0.041 0.000 0.244 42 G C 0.437 175.536 174.900 0.331 0.000 0.998 42 G CA 0.323 45.638 45.100 0.359 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.767 123.716 122.820 0.214 0.000 3.152 43 A HA 0.560 4.856 4.320 -0.041 0.000 0.206 43 A C 1.775 179.432 177.584 0.123 0.000 2.224 43 A CA 1.499 53.643 52.037 0.179 0.000 1.378 43 A CB -0.301 18.783 19.000 0.139 0.000 1.222 43 A HN 0.608 nan 8.150 nan 0.000 0.419 44 D N -0.322 120.139 120.400 0.102 0.000 2.346 44 D HA 0.039 4.654 4.640 -0.041 0.000 0.206 44 D C -0.247 176.089 176.300 0.060 0.000 1.001 44 D CA 0.023 54.071 54.000 0.078 0.000 0.871 44 D CB -0.416 40.431 40.800 0.078 0.000 0.943 44 D HN 0.193 nan 8.370 nan 0.000 0.518 45 N N 1.441 120.177 118.700 0.060 0.000 2.492 45 N HA 0.289 5.005 4.740 -0.041 0.000 0.289 45 N C -2.642 172.885 175.510 0.030 0.000 1.133 45 N CA -1.649 51.425 53.050 0.040 0.000 0.961 45 N CB 1.039 39.547 38.487 0.035 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 -0.052 0.000 1.172 46 P CA -0.322 62.781 63.100 0.004 0.000 0.760 46 P CB -0.197 31.515 31.700 0.020 0.000 0.773 47 P HA 0.010 nan 4.420 nan 0.000 0.264 47 P C -0.428 176.886 177.300 0.024 0.000 1.236 47 P CA 0.448 63.534 63.100 -0.023 0.000 0.811 47 P CB 0.069 31.737 31.700 -0.054 0.000 0.840 48 Q N 2.068 121.882 119.800 0.023 0.000 2.332 48 Q HA 0.415 4.731 4.340 -0.041 0.000 0.263 48 Q C 1.250 177.262 176.000 0.020 0.000 0.979 48 Q CA 0.144 55.969 55.803 0.036 0.000 0.885 48 Q CB 0.381 29.138 28.738 0.032 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.161 109.983 108.800 0.036 0.000 2.149 49 G HA2 -0.237 3.698 3.960 -0.041 0.000 0.235 49 G HA3 -0.237 3.698 3.960 -0.041 0.000 0.235 49 G C 0.423 175.269 174.900 -0.090 0.000 1.018 49 G CA 0.163 45.262 45.100 -0.001 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.358 118.475 119.914 -0.136 0.000 2.649 50 V HA 0.344 4.439 4.120 -0.041 0.000 0.248 50 V C 0.975 176.581 176.094 -0.813 0.000 1.054 50 V CA 1.500 63.495 62.300 -0.509 0.000 1.073 50 V CB -0.380 31.038 31.823 -0.675 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.409 120.328 119.950 -0.052 0.000 2.563 51 F HA 0.787 5.284 4.527 -0.049 0.000 0.316 51 F C 0.129 175.936 175.800 0.012 0.000 1.076 51 F CA -1.221 56.761 58.000 -0.030 0.000 0.921 51 F CB 1.649 40.621 39.000 -0.047 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.795 122.412 120.500 0.196 0.000 2.680 52 R HA 0.830 5.146 4.340 -0.041 0.000 0.269 52 R C -2.178 174.213 176.300 0.153 0.000 1.026 52 R CA -0.902 55.291 56.100 0.155 0.000 0.889 52 R CB 2.455 32.824 30.300 0.113 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.687 121.346 120.570 0.148 0.000 2.646 53 I HA 0.292 4.438 4.170 -0.041 0.000 0.299 53 I C -0.562 175.642 176.117 0.145 0.000 1.036 53 I CA -1.065 60.317 61.300 0.138 0.000 1.074 53 I CB 2.393 40.461 38.000 0.114 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.124 128.394 120.200 0.117 0.000 1.932 54 E HA -0.013 4.313 4.350 -0.041 0.000 0.275 54 E C 0.481 177.065 176.600 -0.026 0.000 1.159 54 E CA -0.360 56.072 56.400 0.053 0.000 0.905 54 E CB 0.189 29.905 29.700 0.026 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.104 125.333 121.300 -0.119 0.000 2.279 55 W HA -0.325 4.313 4.660 -0.038 0.000 0.298 55 W C 0.921 177.362 176.519 -0.131 0.000 1.228 55 W CA 1.514 58.633 57.345 -0.377 0.000 1.230 55 W CB -0.392 28.448 29.460 -1.033 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.512 120.274 120.200 -0.730 0.000 2.389 56 E HA -0.082 4.243 4.350 -0.041 0.000 0.199 56 E C 2.323 178.810 176.600 -0.188 0.000 0.978 56 E CA 1.429 57.488 56.400 -0.569 0.000 0.912 56 E CB 0.128 29.128 29.700 -1.165 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.662 114.554 -0.166 0.000 3.021 57 T HA 0.262 4.587 4.350 -0.041 0.000 0.245 57 T C 1.492 176.009 174.700 -0.306 0.000 1.028 57 T CA 0.581 62.605 62.100 -0.128 0.000 1.139 57 T CB 0.619 69.515 68.868 0.047 0.000 0.884 57 T HN 0.188 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.078 108.800 -0.306 0.000 2.135 58 G HA2 -0.145 3.790 3.960 -0.041 0.000 0.183 58 G HA3 -0.145 3.790 3.960 -0.041 0.000 0.183 58 G C -0.311 174.321 174.900 -0.445 0.000 1.004 58 G CA -0.535 44.201 45.100 -0.606 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.168 121.034 121.300 -0.164 0.000 2.376 59 W HA 0.768 5.409 4.660 -0.032 0.000 0.322 59 W C 0.667 177.150 176.519 -0.060 0.000 1.160 59 W CA -0.900 56.381 57.345 -0.106 0.000 1.218 59 W CB 1.130 30.542 29.460 -0.081 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.321 124.100 119.600 0.298 0.000 2.364 60 M HA 0.584 5.039 4.480 -0.041 0.000 0.334 60 M C -1.310 175.116 176.300 0.210 0.000 1.107 60 M CA -0.467 54.950 55.300 0.195 0.000 0.988 60 M CB 0.943 33.615 32.600 0.119 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.609 124.946 121.223 0.189 0.000 2.350 61 L HA 0.759 5.075 4.340 -0.041 0.000 0.260 61 L C -0.929 176.038 176.870 0.163 0.000 1.015 61 L CA -1.203 53.728 54.840 0.151 0.000 0.821 61 L CB 1.863 43.975 42.059 0.089 0.000 1.370 61 L HN 0.426 nan 8.230 nan 0.000 0.416 62 V N 0.093 120.067 119.914 0.101 0.000 2.427 62 V HA 0.266 4.362 4.120 -0.041 0.000 0.286 62 V C 0.669 176.731 176.094 -0.053 0.000 1.034 62 V CA 0.346 62.593 62.300 -0.089 0.000 0.893 62 V CB 1.686 33.522 31.823 0.021 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.473 120.865 114.554 -0.269 0.000 3.044 63 T HA 0.266 4.591 4.350 -0.041 0.000 0.255 63 T C 0.660 175.018 174.700 -0.570 0.000 1.073 63 T CA 0.871 62.842 62.100 -0.215 0.000 1.125 63 T CB -0.154 68.594 68.868 -0.201 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.076 120.083 120.500 -0.823 0.000 2.752 64 R HA 0.571 4.886 4.340 -0.041 0.000 0.271 64 R C -3.344 172.430 176.300 -0.876 0.000 1.026 64 R CA -1.919 53.452 56.100 -1.216 0.000 0.901 64 R CB 0.240 30.162 30.300 -0.631 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.463 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.130 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.194 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.601 120.607 121.223 -0.025 0.000 2.376 66 L HA 0.743 5.058 4.340 -0.041 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 0.029 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 -0.357 120.108 120.400 0.109 0.000 2.505 67 D HA 0.301 4.917 4.640 -0.041 0.000 0.250 67 D C 0.827 177.203 176.300 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 42.398 40.800 0.071 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.556 123.125 120.500 0.115 0.000 2.127 68 R HA -0.142 4.174 4.340 -0.041 0.000 0.238 68 R C 0.902 177.247 176.300 0.075 0.000 1.134 68 R CA 1.224 57.396 56.100 0.121 0.000 0.975 68 R CB -0.180 30.175 30.300 0.092 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.689 120.917 120.200 0.047 0.000 2.209 69 E HA -0.187 4.139 4.350 -0.041 0.000 0.196 69 E C 1.660 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.630 58.036 56.400 0.009 0.000 0.819 69 E CB 0.025 29.729 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.422 118.776 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.330 4.350 -0.041 0.000 0.190 70 E C -0.388 176.059 176.600 -0.255 0.000 0.974 70 E CA 0.518 56.865 56.400 -0.089 0.000 0.810 70 E CB 0.307 30.050 29.700 0.072 0.000 0.775 70 E HN 0.138 nan 8.360 nan 0.000 0.453 71 Y N 0.403 120.729 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.655 4.550 -0.042 0.000 0.332 71 Y C -0.359 175.590 175.900 0.082 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 1.099 121.598 120.400 0.165 0.000 2.349 72 D HA 0.105 4.720 4.640 -0.041 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 0.161 0.000 0.847 72 D CB 0.680 41.531 40.800 0.085 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.920 119.602 120.400 0.205 0.000 2.610 73 K HA 0.347 4.642 4.320 -0.041 0.000 0.278 73 K C -2.147 174.537 176.600 0.140 0.000 0.964 73 K CA -0.665 55.755 56.287 0.221 0.000 0.859 73 K CB 1.217 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 -0.066 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.102 4.550 -0.035 0.000 0.347 74 Y C -0.815 175.026 175.900 -0.097 0.000 1.019 74 Y CA -0.815 57.247 58.100 -0.063 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.158 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.235 124.179 119.914 0.051 0.000 2.638 75 V HA 0.604 4.699 4.120 -0.041 0.000 0.306 75 V C -0.791 175.292 176.094 -0.018 0.000 1.052 75 V CA -0.819 61.481 62.300 -0.000 0.000 0.885 75 V CB 1.957 33.780 31.823 0.001 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.484 123.677 121.223 -0.051 0.000 2.350 76 L HA 0.722 5.037 4.340 -0.041 0.000 0.260 76 L C -0.320 176.516 176.870 -0.057 0.000 1.015 76 L CA -0.602 54.206 54.840 -0.054 0.000 0.821 76 L CB 2.389 44.383 42.059 -0.109 0.000 1.370 76 L HN 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.482 116.149 115.700 -0.054 0.000 2.478 77 S HA 0.616 5.061 4.470 -0.041 0.000 0.312 77 S C -0.572 173.838 174.600 -0.317 0.000 1.094 77 S CA -0.548 57.573 58.200 -0.131 0.000 1.081 77 S CB 1.152 64.328 63.200 -0.039 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.700 120.167 115.700 -0.388 0.000 2.525 78 S HA 0.688 5.133 4.470 -0.041 0.000 0.290 78 S C -0.822 173.433 174.600 -0.575 0.000 1.152 78 S CA -0.771 57.204 58.200 -0.374 0.000 1.072 78 S CB 0.831 63.946 63.200 -0.140 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.234 119.380 119.070 0.127 0.000 2.894 79 H HA 0.800 5.332 4.556 -0.040 0.000 0.368 79 H C -0.848 174.585 175.328 0.175 0.000 1.181 79 H CA -1.046 55.081 56.048 0.131 0.000 1.146 79 H CB 2.054 31.881 29.762 0.109 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.592 124.558 122.820 0.243 0.000 2.547 80 A HA 0.476 4.771 4.320 -0.041 0.000 0.279 80 A C -0.558 177.052 177.584 0.044 0.000 1.088 80 A CA -0.568 51.513 52.037 0.073 0.000 0.796 80 A CB 0.365 19.410 19.000 0.076 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.637 120.576 119.914 0.041 0.000 2.994 81 V HA 0.947 5.042 4.120 -0.041 0.000 0.318 81 V C 0.418 176.517 176.094 0.009 0.000 1.085 81 V CA -0.230 62.087 62.300 0.028 0.000 0.998 81 V CB 1.497 33.335 31.823 0.024 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.563 116.263 115.700 -0.000 0.000 2.652 82 S HA 0.404 4.850 4.470 -0.041 0.000 0.270 82 S C 0.681 175.279 174.600 -0.004 0.000 1.243 82 S CA -0.388 57.812 58.200 0.000 0.000 0.999 82 S CB 1.361 64.560 63.200 -0.002 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.034 122.239 120.200 0.008 0.000 2.077 83 E HA -0.184 4.141 4.350 -0.041 0.000 0.193 83 E C 2.056 178.639 176.600 -0.029 0.000 0.989 83 E CA 1.511 57.908 56.400 -0.006 0.000 0.800 83 E CB -0.698 29.012 29.700 0.017 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.049 118.739 118.700 -0.017 0.000 2.192 84 N HA -0.180 4.535 4.740 -0.041 0.000 0.188 84 N C 1.352 176.842 175.510 -0.034 0.000 1.013 84 N CA 1.689 54.726 53.050 -0.022 0.000 0.863 84 N CB -0.011 38.468 38.487 -0.013 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.066 107.712 108.800 -0.037 0.000 2.227 85 G HA2 -0.160 3.776 3.960 -0.041 0.000 0.168 85 G HA3 -0.160 3.776 3.960 -0.041 0.000 0.168 85 G C -0.354 174.525 174.900 -0.034 0.000 1.006 85 G CA 0.011 45.082 45.100 -0.048 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.752 117.440 115.700 -0.020 0.000 2.541 86 S HA 0.667 5.112 4.470 -0.041 0.000 0.283 86 S C -2.377 172.223 174.600 -0.000 0.000 1.196 86 S CA -0.976 57.217 58.200 -0.010 0.000 1.062 86 S CB 2.147 65.344 63.200 -0.005 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 nan 4.420 nan 0.000 0.272 87 P C 0.170 177.488 177.300 0.029 0.000 1.223 87 P CA -0.284 62.832 63.100 0.026 0.000 0.784 87 P CB 0.642 32.360 31.700 0.029 0.000 0.923 88 V N -0.171 119.767 119.914 0.040 0.000 3.219 88 V HA 0.189 4.284 4.120 -0.041 0.000 0.240 88 V C 0.468 176.591 176.094 0.048 0.000 1.222 88 V CA 0.873 63.195 62.300 0.037 0.000 1.181 88 V CB -0.341 31.500 31.823 0.030 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.866 121.106 120.200 0.066 0.000 2.212 89 E HA 0.505 4.831 4.350 -0.041 0.000 0.268 89 E C -0.924 175.723 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.069 0.000 0.779 89 E CB 2.332 32.078 29.700 0.077 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.741 122.980 120.200 0.064 0.000 2.465 90 E HA 0.099 4.425 4.350 -0.041 0.000 0.260 90 E C -2.195 174.449 176.600 0.072 0.000 0.980 90 E CA -1.092 55.348 56.400 0.067 0.000 0.927 90 E CB 0.139 29.867 29.700 0.048 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 -0.633 176.658 177.300 -0.015 0.000 1.248 91 P CA 0.540 63.668 63.100 0.046 0.000 0.827 91 P CB 0.389 32.151 31.700 0.103 0.000 0.972 92 M N 0.377 119.926 119.600 -0.085 0.000 2.224 92 M HA 0.156 4.611 4.480 -0.041 0.000 0.281 92 M C -0.300 175.957 176.300 -0.072 0.000 1.025 92 M CA -0.528 54.738 55.300 -0.056 0.000 0.954 92 M CB 1.921 34.496 32.600 -0.042 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.679 123.854 120.200 -0.041 0.000 2.413 93 E HA 0.323 4.648 4.350 -0.041 0.000 0.263 93 E C -1.405 175.169 176.600 -0.044 0.000 1.015 93 E CA 0.305 56.683 56.400 -0.037 0.000 0.916 93 E CB 0.866 30.556 29.700 -0.016 0.000 0.947 93 E HN 0.571 nan 8.360 nan 0.000 0.440 94 I N 2.959 123.497 120.570 -0.053 0.000 2.569 94 I HA 0.214 4.359 4.170 -0.041 0.000 0.290 94 I C -0.795 175.284 176.117 -0.064 0.000 1.088 94 I CA -0.611 60.651 61.300 -0.064 0.000 1.047 94 I CB 2.446 40.391 38.000 -0.092 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.446 120.970 114.554 -0.050 0.000 2.863 95 T HA 0.697 5.022 4.350 -0.041 0.000 0.285 95 T C -0.431 174.246 174.700 -0.038 0.000 1.009 95 T CA -0.485 61.594 62.100 -0.034 0.000 0.989 95 T CB 1.921 70.786 68.868 -0.005 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 -0.021 0.000 2.499 96 I HA 0.371 4.517 4.170 -0.041 0.000 0.288 96 I C -0.684 175.480 176.117 0.079 0.000 1.048 96 I CA -0.969 60.327 61.300 -0.006 0.000 1.062 96 I CB 1.883 39.817 38.000 -0.110 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.450 124.194 118.700 0.073 0.000 2.400 97 N HA 0.393 5.109 4.740 -0.041 0.000 0.288 97 N C -0.796 174.777 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.962 41.488 38.487 0.064 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.747 123.743 119.914 0.136 0.000 2.334 98 V HA 0.330 4.425 4.120 -0.041 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 0.130 0.000 0.866 98 V CB 0.051 31.985 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.903 124.517 120.570 0.073 0.000 2.533 99 I HA 0.106 4.251 4.170 -0.041 0.000 0.284 99 I C 0.901 177.048 176.117 0.050 0.000 1.109 99 I CA 0.169 61.502 61.300 0.054 0.000 1.412 99 I CB 0.272 38.299 38.000 0.044 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.478 126.903 120.400 0.041 0.000 2.400 100 D HA 0.078 4.693 4.640 -0.041 0.000 0.238 100 D C -0.587 175.729 176.300 0.027 0.000 1.157 100 D CA 0.470 54.490 54.000 0.034 0.000 0.889 100 D CB 0.951 41.765 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.633 121.448 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.458 4.340 -0.041 0.000 0.274 101 Q C -0.897 175.111 176.000 0.013 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.553 30.306 28.738 0.025 0.000 1.342 101 Q HN 0.345 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.489 118.700 0.007 0.000 2.814 102 N HA -0.061 4.654 4.740 -0.041 0.000 0.304 102 N C -0.508 175.004 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.001 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.418 118.986 120.400 0.007 0.000 2.407 103 D HA 0.071 4.686 4.640 -0.041 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.037 54.043 54.000 0.009 0.000 0.844 103 D CB 0.006 40.815 40.800 0.015 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.123 119.823 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.950 4.740 -0.041 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.285 40.769 38.487 -0.006 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.872 123.367 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.687 4.340 -0.041 0.000 0.278 105 R C -2.048 174.238 176.300 -0.024 0.000 1.069 105 R CA -0.929 55.163 56.100 -0.013 0.000 1.080 105 R CB 0.627 30.929 30.300 0.003 0.000 1.030 105 R HN 0.323 nan 8.270 nan 0.000 0.491 106 P HA 0.263 nan 4.420 nan 0.000 0.286 106 P C -1.442 175.826 177.300 -0.054 0.000 1.293 106 P CA -0.270 62.783 63.100 -0.079 0.000 0.770 106 P CB 0.607 32.218 31.700 -0.149 0.000 1.206 107 K N -0.198 120.157 120.400 -0.074 0.000 2.561 107 K HA 0.440 4.735 4.320 -0.041 0.000 0.254 107 K C -0.806 175.806 176.600 0.020 0.000 0.942 107 K CA -0.665 55.630 56.287 0.014 0.000 0.818 107 K CB 0.290 32.823 32.500 0.055 0.000 1.306 107 K HN 0.315 nan 8.250 nan 0.000 0.435 108 F N 1.773 121.799 119.950 0.127 0.000 2.518 108 F HA 0.152 4.655 4.527 -0.040 0.000 0.359 108 F C 2.256 178.176 175.800 0.200 0.000 1.118 108 F CA 0.629 58.757 58.000 0.214 0.000 1.287 108 F CB 1.379 40.555 39.000 0.293 0.000 1.132 108 F HN 0.784 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 4.115 4.350 -0.041 0.000 0.268 109 T C 0.684 175.445 174.700 0.101 0.000 1.041 109 T CA 1.546 63.806 62.100 0.268 0.000 1.159 109 T CB -0.159 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.383 119.378 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.703 4.340 -0.041 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.998 29.171 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.680 4.640 -0.041 0.000 0.206 111 D C -0.599 175.638 176.300 -0.105 0.000 1.001 111 D CA 0.343 54.296 54.000 -0.079 0.000 0.871 111 D CB 0.789 41.555 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.793 117.994 119.914 -0.211 0.000 2.823 112 V HA 0.467 4.563 4.120 -0.041 0.000 0.296 112 V C -0.995 174.969 176.094 -0.217 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.711 32.490 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 -0.076 0.000 2.458 113 F HA 0.834 5.336 4.527 -0.041 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 0.565 121.135 120.500 0.116 0.000 2.854 114 R HA 0.838 5.153 4.340 -0.041 0.000 0.271 114 R C -0.455 175.870 176.300 0.041 0.000 0.996 114 R CA -1.114 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 32.560 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.386 108.423 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.472 3.960 -0.041 0.000 0.290 115 G HA3 0.536 4.472 3.960 -0.041 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 5.252 4.470 -0.041 0.000 0.271 116 S C -1.114 173.516 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.645 64.867 63.200 0.037 0.000 1.115 116 S HN 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.413 120.370 119.914 0.072 0.000 3.178 117 V HA 0.665 4.760 4.120 -0.041 0.000 0.302 117 V C -0.310 175.831 176.094 0.078 0.000 1.262 117 V CA -1.179 61.165 62.300 0.074 0.000 1.030 117 V CB 1.871 33.752 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.127 121.665 120.500 0.064 0.000 2.410 118 R HA 0.313 4.629 4.340 -0.041 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.199 31.527 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.811 123.056 120.200 0.074 0.000 2.118 119 E HA -0.172 4.153 4.350 -0.041 0.000 0.195 119 E C 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.511 57.956 56.400 0.076 0.000 0.804 119 E CB -0.179 29.574 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.880 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.041 3.960 -0.041 0.000 0.209 120 G HA3 0.106 4.041 3.960 -0.041 0.000 0.209 120 G C 0.788 175.703 174.900 0.025 0.000 1.165 120 G CA 0.325 45.447 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.182 117.746 119.914 0.024 0.000 3.237 121 V HA 0.322 4.418 4.120 -0.041 0.000 0.305 121 V C -0.074 176.021 176.094 0.002 0.000 1.096 121 V CA -0.861 61.448 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 4.711 4.340 -0.041 0.000 0.246 122 Q C -2.353 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.842 53.956 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 -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.717 63.793 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.089 31.700 -0.048 0.000 0.810 124 G N 1.471 110.260 108.800 -0.019 0.000 2.145 124 G HA2 -0.131 3.805 3.960 -0.041 0.000 0.176 124 G HA3 -0.131 3.805 3.960 -0.041 0.000 0.176 124 G C -0.127 174.774 174.900 0.003 0.000 1.013 124 G CA -0.371 44.725 45.100 -0.007 0.000 0.689 124 G HN 0.644 nan 8.290 nan 0.000 0.506 125 T N 0.814 115.374 114.554 0.009 0.000 2.771 125 T HA 0.501 4.826 4.350 -0.041 0.000 0.281 125 T C 0.204 174.921 174.700 0.030 0.000 0.982 125 T CA -0.327 61.783 62.100 0.017 0.000 0.978 125 T CB 1.879 70.758 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.506 123.318 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.573 4.340 -0.041 0.000 0.273 126 Q C 0.284 176.296 176.000 0.020 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.017 0.000 0.901 126 Q CB 0.803 29.544 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.793 124.719 119.914 0.019 0.000 3.064 127 V HA 0.204 4.300 4.120 -0.041 0.000 0.215 127 V C 0.753 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.402 62.709 62.300 0.010 0.000 1.286 127 V CB 0.317 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.204 119.773 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.165 4.480 -0.041 0.000 0.219 128 M C -0.460 175.795 176.300 -0.075 0.000 1.004 128 M CA 0.083 55.347 55.300 -0.060 0.000 1.427 128 M CB 1.415 33.960 32.600 -0.093 0.000 1.197 128 M HN 0.537 nan 8.290 nan 0.000 0.739 129 A N 0.053 122.816 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.942 4.320 -0.041 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.032 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.338 121.015 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.917 4.120 -0.041 0.000 0.312 130 V C 0.107 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.369 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 1.498 117.089 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.459 4.470 -0.041 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.826 123.744 122.820 0.164 0.000 2.549 132 A HA 0.768 5.063 4.320 -0.041 0.000 0.291 132 A C -0.921 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.663 19.424 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.198 113.325 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.090 4.350 -0.041 0.000 0.302 133 T C -1.689 172.974 174.700 -0.062 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.168 71.034 68.868 -0.004 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.522 119.845 120.400 -0.055 0.000 2.646 134 D HA 0.327 4.942 4.640 -0.041 0.000 0.245 134 D C 0.299 176.582 176.300 -0.029 0.000 1.099 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.849 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.161 121.349 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.326 4.350 -0.041 0.000 0.194 135 E C -0.103 176.491 176.600 -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 30.150 29.700 -0.010 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.179 121.573 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.559 4.640 -0.041 0.000 0.243 136 D C 0.072 176.368 176.300 -0.007 0.000 1.297 136 D CA 0.149 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.957 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.595 4.640 -0.041 0.000 0.236 137 D C 0.081 176.376 176.300 -0.009 0.000 1.189 137 D CA 0.257 54.256 54.000 -0.001 0.000 0.887 137 D CB 0.164 40.966 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.010 120.705 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.842 4.740 -0.041 0.000 0.262 138 N C -0.050 175.455 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 53.050 -0.013 0.000 0.847 138 N CB 0.072 38.548 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.880 119.687 120.570 -0.004 0.000 4.541 139 I HA 0.242 4.387 4.170 -0.041 0.000 0.337 139 I C -0.480 175.637 176.117 0.001 0.000 1.338 139 I CA 0.160 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.271 120.129 120.400 0.001 0.000 2.412 140 D HA 0.150 4.766 4.640 -0.041 0.000 0.326 140 D C 0.373 176.674 176.300 0.000 0.000 1.209 140 D CA 0.553 54.554 54.000 0.002 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 -0.685 115.013 115.700 -0.003 0.000 2.806 141 S HA 0.576 5.021 4.470 -0.041 0.000 0.306 141 S C 0.079 174.672 174.600 -0.013 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.006 0.000 0.847 141 S CB 1.237 64.435 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.195 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.645 4.340 -0.041 0.000 0.246 142 L C 0.767 177.618 176.870 -0.032 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.027 0.000 0.956 142 L CB -0.472 41.571 42.059 -0.028 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.009 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.606 4.740 -0.041 0.000 0.187 143 N C 1.489 176.979 175.510 -0.032 0.000 1.056 143 N CA 1.261 54.297 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.821 107.957 108.800 -0.037 0.000 3.979 144 G HA2 0.267 4.203 3.960 -0.041 0.000 0.287 144 G HA3 0.267 4.203 3.960 -0.041 0.000 0.287 144 G C -0.353 174.510 174.900 -0.062 0.000 1.011 144 G CA -0.103 44.970 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.452 119.419 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.888 4.120 -0.041 0.000 0.290 145 V C -0.526 175.483 176.094 -0.143 0.000 1.030 145 V CA -1.180 61.065 62.300 -0.091 0.000 0.881 145 V CB 1.628 33.411 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.820 124.910 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.052 4.340 -0.041 0.000 0.267 146 L C 0.382 177.002 176.870 -0.417 0.000 1.033 146 L CA -0.283 54.343 54.840 -0.355 0.000 0.802 146 L CB 1.362 43.099 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.237 115.204 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.073 4.470 -0.041 0.000 0.291 147 S C -1.072 173.335 174.600 -0.322 0.000 1.145 147 S CA -0.433 57.582 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 2.550 122.830 120.300 -0.034 0.000 2.307 148 Y HA 0.645 5.170 4.550 -0.040 0.000 0.324 148 Y C 1.134 177.033 175.900 -0.000 0.000 1.238 148 Y CA -0.084 58.003 58.100 -0.021 0.000 1.280 148 Y CB 1.505 39.948 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.832 116.648 115.700 0.192 0.000 2.636 149 S HA 0.785 5.230 4.470 -0.041 0.000 0.268 149 S C -1.539 173.120 174.600 0.099 0.000 1.159 149 S CA -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.269 64.514 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 4.605 4.170 -0.041 0.000 0.298 150 I C -0.792 175.354 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 61.300 0.051 0.000 1.041 150 I CB 2.077 40.102 38.000 0.040 0.000 1.235 150 I HN 0.672 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 4.852 4.340 -0.041 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 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 4.534 4.320 -0.041 0.000 0.354 152 K C -1.514 175.123 176.600 0.062 0.000 1.394 152 K CA -0.129 56.187 56.287 0.047 0.000 1.138 152 K CB 0.921 33.443 32.500 0.036 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.523 122.381 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.630 4.340 -0.041 0.000 0.255 153 Q C -0.461 175.636 176.000 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 2.793 123.288 120.400 0.159 0.000 2.325 154 D HA 0.202 4.817 4.640 -0.041 0.000 0.262 154 D C -2.055 174.319 176.300 0.124 0.000 1.263 154 D CA -1.433 52.632 54.000 0.107 0.000 1.020 154 D CB 0.059 40.891 40.800 0.055 0.000 1.117 154 D HN 0.510 nan 8.370 nan 0.000 0.545 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.797 176.549 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.612 30.997 31.700 -0.152 0.000 1.908 156 E N -0.029 120.208 120.200 0.061 0.000 2.401 156 E HA -0.085 4.241 4.350 -0.041 0.000 0.203 156 E C 0.350 176.943 176.600 -0.012 0.000 1.229 156 E CA 0.579 57.006 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 -1.881 118.273 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.600 4.350 -0.041 0.000 0.272 157 E C -2.179 174.067 176.600 -0.590 0.000 0.884 157 E CA -2.289 53.969 56.400 -0.237 0.000 0.753 157 E CB 1.599 31.207 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.047 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 1.377 64.303 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.219 0.000 0.788 159 I N -7.346 113.136 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.671 4.170 -0.041 0.000 0.315 159 I C -2.597 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.699 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.626 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 62.983 63.100 -0.033 0.000 1.270 160 P CB -0.416 31.282 31.700 -0.003 0.000 1.596 161 N N 0.079 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.945 4.740 -0.041 0.000 0.303 161 N C 1.004 176.370 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.681 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.447 0.000 2.201 162 L HA 0.133 4.449 4.340 -0.041 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 -0.316 40.819 42.059 -1.539 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.688 117.187 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.139 4.527 -0.041 0.000 0.324 163 F C 0.060 175.823 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.404 40.345 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.426 115.087 114.554 0.179 0.000 2.816 164 T HA 0.743 5.068 4.350 -0.041 0.000 0.299 164 T C -1.943 172.793 174.700 0.061 0.000 1.230 164 T CA -0.531 61.620 62.100 0.086 0.000 1.007 164 T CB 1.707 70.603 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.506 123.097 120.570 0.036 0.000 2.647 165 I HA 0.484 4.630 4.170 -0.041 0.000 0.295 165 I C -0.669 175.463 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.952 39.951 38.000 -0.002 0.000 1.239 165 I HN 0.564 nan 8.210 nan 0.000 0.421 166 N N 5.479 124.183 118.700 0.007 0.000 2.405 166 N HA 0.120 4.836 4.740 -0.041 0.000 0.260 166 N C 1.048 176.613 175.510 0.090 0.000 1.152 166 N CA 0.628 53.697 53.050 0.031 0.000 0.948 166 N CB 1.416 39.908 38.487 0.010 0.000 1.111 166 N HN 0.850 nan 8.380 nan 0.000 0.485 167 R N 3.713 124.275 120.500 0.104 0.000 2.117 167 R HA -0.193 4.123 4.340 -0.041 0.000 0.243 167 R C 1.814 178.242 176.300 0.215 0.000 1.143 167 R CA 2.137 58.326 56.100 0.149 0.000 0.968 167 R CB -1.074 29.266 30.300 0.067 0.000 0.863 167 R HN 0.851 nan 8.270 nan 0.000 0.444 168 E N -0.245 120.047 120.200 0.153 0.000 2.060 168 E HA -0.117 4.209 4.350 -0.041 0.000 0.189 168 E C 2.179 178.927 176.600 0.248 0.000 0.974 168 E CA 1.587 58.074 56.400 0.145 0.000 0.808 168 E CB 0.112 29.853 29.700 0.070 0.000 0.768 168 E HN 0.680 nan 8.360 nan 0.000 0.453 169 T N -3.497 111.147 114.554 0.150 0.000 3.051 169 T HA 0.219 4.545 4.350 -0.041 0.000 0.255 169 T C 1.501 176.092 174.700 -0.181 0.000 1.085 169 T CA 0.665 62.796 62.100 0.052 0.000 1.109 169 T CB 0.453 69.319 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.018 109.654 108.800 -0.273 0.000 2.148 170 G HA2 -0.218 3.717 3.960 -0.041 0.000 0.254 170 G HA3 -0.218 3.717 3.960 -0.041 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.662 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.094 120.885 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.708 4.120 -0.041 0.000 0.292 171 V C 1.025 177.059 176.094 -0.100 0.000 1.055 171 V CA -0.414 61.803 62.300 -0.139 0.000 1.023 171 V CB 1.625 33.401 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.425 122.939 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.726 4.170 -0.041 0.000 0.301 172 I C 0.161 176.278 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.281 61.300 -0.056 0.000 1.127 172 I CB 2.034 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.939 119.676 115.700 0.062 0.000 2.595 173 S HA 0.512 4.958 4.470 -0.041 0.000 0.281 173 S C -1.055 173.646 174.600 0.168 0.000 1.117 173 S CA -0.552 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.390 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.746 124.041 121.223 0.120 0.000 2.360 174 L HA 0.483 4.799 4.340 -0.041 0.000 0.276 174 L C 0.330 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.619 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.103 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.693 123.181 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.452 4.170 -0.041 0.000 0.279 175 I C 1.250 177.285 176.117 -0.136 0.000 1.172 175 I CA 0.488 61.725 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.308 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.053 108.722 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.404 3.960 -0.041 0.000 0.267 176 G HA3 0.468 4.404 3.960 -0.041 0.000 0.267 176 G C -0.711 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.374 45.358 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.918 109.547 114.554 -0.149 0.000 3.032 177 T HA 0.581 4.906 4.350 -0.041 0.000 0.312 177 T C 0.077 174.722 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.635 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 2.077 110.836 108.800 -0.068 0.000 2.731 178 G HA2 0.027 3.962 3.960 -0.041 0.000 0.219 178 G HA3 0.027 3.962 3.960 -0.041 0.000 0.219 178 G C -0.218 174.689 174.900 0.011 0.000 0.989 178 G CA -0.774 44.308 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.606 122.834 121.223 0.008 0.000 2.462 179 L HA 0.485 4.800 4.340 -0.041 0.000 0.272 179 L C -0.284 176.665 176.870 0.133 0.000 1.166 179 L CA 0.159 55.046 54.840 0.078 0.000 0.880 179 L CB 0.913 43.002 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.501 123.033 120.400 0.219 0.000 2.855 180 D HA 0.158 4.773 4.640 -0.041 0.000 0.241 180 D C 0.550 176.964 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.522 42.439 40.800 0.194 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 4.195 4.340 -0.041 0.000 0.232 181 R C 0.769 177.097 176.300 0.047 0.000 1.126 181 R CA 1.457 57.614 56.100 0.095 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.167 120.388 120.200 0.035 0.000 2.209 182 E HA -0.164 4.161 4.350 -0.041 0.000 0.196 182 E C 1.662 178.211 176.600 -0.085 0.000 0.993 182 E CA 1.434 57.829 56.400 -0.010 0.000 0.819 182 E CB 0.124 29.828 29.700 0.006 0.000 0.745 182 E HN 0.336 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 4.491 4.320 -0.041 0.000 0.200 183 K C -0.383 175.772 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.828 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.536 121.481 119.950 -0.009 0.000 2.771 184 F HA 0.263 4.766 4.527 -0.041 0.000 0.365 184 F C -2.091 173.678 175.800 -0.051 0.000 1.169 184 F CA -1.721 56.230 58.000 -0.082 0.000 1.093 184 F CB 1.828 40.769 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 0.725 63.873 63.100 0.081 0.000 0.794 185 P CB 1.238 32.957 31.700 0.032 0.000 0.937 186 E N -0.255 119.925 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.594 4.350 -0.041 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 30.745 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.270 121.621 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.892 4.550 -0.041 0.000 0.324 187 Y C 0.414 176.320 175.900 0.009 0.000 1.190 187 Y CA -0.319 57.824 58.100 0.073 0.000 1.215 187 Y CB 2.007 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 4.830 119.474 114.554 0.150 0.000 2.892 188 T HA 0.558 4.884 4.350 -0.041 0.000 0.311 188 T C -0.819 173.916 174.700 0.058 0.000 1.033 188 T CA -0.762 61.375 62.100 0.063 0.000 0.991 188 T CB -0.194 68.692 68.868 0.030 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.496 121.724 121.223 0.008 0.000 2.334 189 L HA 0.861 5.176 4.340 -0.041 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.416 43.449 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.351 116.896 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.859 4.350 -0.041 0.000 0.288 190 T C 0.106 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 70.456 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.535 121.427 119.914 -0.038 0.000 2.994 191 V HA 0.785 4.881 4.120 -0.041 0.000 0.318 191 V C -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.054 0.000 0.998 191 V CB 1.963 33.813 31.823 0.044 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.170 121.148 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.094 4.340 -0.041 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.667 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 5.162 4.320 -0.041 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 0.932 115.366 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.745 4.350 -0.041 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 1.416 121.756 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.805 4.640 -0.041 0.000 0.238 195 D C 0.964 177.221 176.300 -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 -0.055 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.668 122.852 121.223 -0.065 0.000 3.660 196 L HA -0.289 4.027 4.340 -0.041 0.000 0.440 196 L C -0.109 176.728 176.870 -0.056 0.000 1.262 196 L CA 0.296 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.048 39.990 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.556 118.598 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.128 4.350 -0.041 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.529 28.141 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.414 108.337 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.532 3.960 -0.041 0.000 0.267 198 G HA3 -0.403 3.532 3.960 -0.041 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 -0.060 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.241 122.555 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.894 4.320 -0.041 0.000 0.211 199 A C 2.334 179.903 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.750 52.037 -0.028 0.000 0.657 199 A CB -0.639 18.347 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.011 108.791 108.800 -0.033 0.000 2.830 200 G HA2 0.353 4.289 3.960 -0.041 0.000 0.172 200 G HA3 0.353 4.289 3.960 -0.041 0.000 0.172 200 G C 0.369 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.118 45.202 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.203 121.409 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.904 4.340 -0.041 0.000 0.269 201 L C -0.035 176.820 176.870 -0.025 0.000 1.034 201 L CA -0.695 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.112 44.162 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.065 115.762 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.359 4.470 -0.041 0.000 0.289 202 S C -0.593 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.213 65.424 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.071 117.898 119.914 0.092 0.000 3.202 203 V HA 0.901 4.997 4.120 -0.041 0.000 0.306 203 V C -1.921 174.386 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 62.300 0.187 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.887 5.213 4.350 -0.041 0.000 0.265 204 E C 0.032 176.532 176.600 -0.167 0.000 0.911 204 E CA 0.015 56.536 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.213 nan 8.360 nan 0.000 0.427 205 G N 0.253 108.688 108.800 -0.607 0.000 3.135 205 G HA2 0.759 4.695 3.960 -0.041 0.000 0.278 205 G HA3 0.759 4.695 3.960 -0.041 0.000 0.278 205 G C -1.232 173.445 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.880 4.320 -0.041 0.000 0.255 206 K C -1.411 175.174 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.713 56.287 -0.109 0.000 0.840 206 K CB 2.297 34.757 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 5.091 4.320 -0.041 0.000 0.311 207 A C -1.040 176.523 177.584 -0.035 0.000 1.068 207 A CA -0.666 51.360 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.715 123.279 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.535 4.170 -0.041 0.000 0.289 208 I C -1.048 175.068 176.117 -0.001 0.000 1.026 208 I CA -0.373 60.925 61.300 -0.003 0.000 1.078 208 I CB 1.889 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 5.009 125.587 120.570 0.014 0.000 2.378 209 I HA 0.296 4.441 4.170 -0.041 0.000 0.291 209 I C -0.028 176.158 176.117 0.114 0.000 0.992 209 I CA -0.527 60.794 61.300 0.035 0.000 1.154 209 I CB 1.750 39.729 38.000 -0.034 0.000 1.315 209 I HN 0.405 nan 8.210 nan 0.000 0.448 210 Q N 5.599 125.451 119.800 0.086 0.000 2.214 210 Q HA 0.628 4.944 4.340 -0.041 0.000 0.251 210 Q C -0.388 175.683 176.000 0.118 0.000 0.936 210 Q CA -0.636 55.224 55.803 0.094 0.000 0.894 210 Q CB 2.926 31.696 28.738 0.053 0.000 1.252 210 Q HN 0.514 nan 8.270 nan 0.000 0.448 211 I N 2.030 122.679 120.570 0.132 0.000 2.328 211 I HA 0.259 4.404 4.170 -0.041 0.000 0.287 211 I C 0.756 176.928 176.117 0.091 0.000 1.012 211 I CA -0.449 60.932 61.300 0.136 0.000 1.195 211 I CB 1.623 39.739 38.000 0.194 0.000 1.350 211 I HN 0.630 nan 8.210 nan 0.000 0.464 212 T N 4.281 118.879 114.554 0.073 0.000 2.595 212 T HA -0.084 4.241 4.350 -0.041 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.096 62.229 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.655 119.772 120.400 0.046 0.000 2.272 213 D HA 0.581 5.197 4.640 -0.041 0.000 0.247 213 D C -0.864 175.468 176.300 0.053 0.000 0.990 213 D CA -0.508 53.521 54.000 0.049 0.000 0.931 213 D CB 1.790 42.614 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.878 124.734 122.820 0.061 0.000 2.515 214 A HA 0.328 4.623 4.320 -0.041 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 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.613 119.371 118.700 0.097 0.000 3.111 215 N HA 0.120 4.835 4.740 -0.041 0.000 0.302 215 N C -0.049 175.538 175.510 0.128 0.000 1.317 215 N CA 0.233 53.367 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 0.081 0.000 2.178 216 D HA -0.077 4.538 4.640 -0.041 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 0.242 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.252 4.740 -0.041 0.000 0.298 217 N C -0.809 174.670 175.510 -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 1.469 124.202 122.820 -0.144 0.000 2.281 218 A HA 0.690 4.985 4.320 -0.041 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 -0.201 0.000 0.850 218 A CB 0.485 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 0.522 nan 4.420 nan 0.000 0.284 219 P C -1.072 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.044 63.029 63.100 -0.190 0.000 0.800 219 P CB 0.766 32.303 31.700 -0.273 0.000 0.961 220 I N 3.218 123.672 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.426 4.170 -0.041 0.000 0.287 220 I C -0.291 175.754 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.326 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 4.435 4.527 -0.041 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.400 58.451 58.000 0.085 0.000 1.164 221 F CB 0.191 39.263 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.526 124.055 120.400 0.215 0.000 2.378 222 D HA 0.061 4.676 4.640 -0.041 0.000 0.227 222 D C -1.844 174.489 176.300 0.055 0.000 1.012 222 D CA 0.182 54.261 54.000 0.132 0.000 0.905 222 D CB -0.194 40.641 40.800 0.058 0.000 0.895 222 D HN 0.357 nan 8.370 nan 0.000 0.532 223 P HA 0.398 nan 4.420 nan 0.000 0.293 223 P C -0.003 177.290 177.300 -0.013 0.000 1.303 223 P CA -0.068 62.904 63.100 -0.213 0.000 0.972 223 P CB 1.956 33.109 31.700 -0.911 0.000 1.377 224 K N -1.301 119.061 120.400 -0.064 0.000 2.399 224 K HA 0.301 4.597 4.320 -0.041 0.000 0.196 224 K C 0.608 177.174 176.600 -0.056 0.000 1.117 224 K CA 1.269 57.529 56.287 -0.044 0.000 0.965 224 K CB -0.342 32.142 32.500 -0.027 0.000 0.983 224 K HN 0.624 nan 8.250 nan 0.000 0.531 225 T N -1.186 113.342 114.554 -0.043 0.000 2.949 225 T HA 0.691 5.016 4.350 -0.041 0.000 0.300 225 T C -0.681 174.034 174.700 0.026 0.000 0.988 225 T CA -0.714 61.395 62.100 0.015 0.000 0.993 225 T CB 0.218 69.073 68.868 -0.022 0.000 0.984 225 T HN 0.246 nan 8.240 nan 0.000 0.442 226 Y N 1.463 121.712 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.336 4.550 -0.041 0.000 0.326 226 Y C 1.094 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.278 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 -1.152 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.185 4.350 -0.041 0.000 0.318 227 T C -1.292 173.444 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.579 70.473 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.877 124.718 122.820 0.035 0.000 2.612 228 A HA 0.816 5.111 4.320 -0.041 0.000 0.293 228 A C -1.643 175.966 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.312 20.312 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.632 121.890 121.223 0.058 0.000 2.334 229 L HA 0.864 5.179 4.340 -0.041 0.000 0.270 229 L C -0.383 176.548 176.870 0.102 0.000 1.018 229 L CA -1.027 53.852 54.840 0.065 0.000 0.811 229 L CB 1.944 44.033 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.347 119.611 119.914 0.073 0.000 3.120 230 V HA 0.657 4.752 4.120 -0.041 0.000 0.303 230 V C -3.024 173.049 176.094 -0.036 0.000 1.238 230 V CA -2.014 60.336 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 0.456 177.637 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.912 33.464 31.700 -0.247 0.000 1.046 232 E N 1.918 122.000 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.129 4.350 -0.041 0.000 0.199 232 E C 0.078 176.573 176.600 -0.175 0.000 1.011 232 E CA 1.447 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.011 29.591 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.503 118.113 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.780 4.740 -0.041 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 0.906 39.347 38.487 -0.077 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.272 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.463 4.350 -0.041 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 -0.098 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 0.780 121.300 120.570 -0.082 0.000 3.276 235 I HA -0.089 4.057 4.170 -0.041 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 6.837 115.675 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.405 3.960 -0.041 0.000 0.303 236 G HA3 0.469 4.405 3.960 -0.041 0.000 0.303 236 G C -1.326 173.679 174.900 0.175 0.000 2.080 236 G CA -0.248 44.894 45.100 0.070 0.000 0.896 236 G HN 1.203 nan 8.290 nan 0.000 0.514 237 F N 1.276 121.204 119.950 -0.038 0.000 2.665 237 F HA 0.698 5.201 4.527 -0.041 0.000 0.308 237 F C -0.466 175.323 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.029 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 3.920 123.657 120.200 -0.772 0.000 2.463 238 E HA 0.096 4.422 4.350 -0.041 0.000 0.248 238 E C 0.239 176.185 176.600 -1.090 0.000 1.106 238 E CA -0.005 55.941 56.400 -0.757 0.000 0.946 238 E CB 1.139 30.578 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.972 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.048 4.120 -0.041 0.000 0.240 239 V C 0.318 176.256 176.094 -0.261 0.000 1.036 239 V CA 1.840 63.901 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.916 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.668 118.991 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.787 4.340 -0.041 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.079 55.803 -0.177 0.000 0.820 240 Q CB 1.747 30.394 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.360 121.774 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.060 4.340 -0.041 0.000 0.272 241 R C -0.940 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.070 31.333 30.300 -0.062 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.028 121.159 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.797 4.340 -0.041 0.000 0.264 242 L C -0.490 176.463 176.870 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 0.668 116.548 115.700 0.301 0.000 2.537 243 S HA 0.939 5.385 4.470 -0.041 0.000 0.301 243 S C -0.674 174.006 174.600 0.134 0.000 1.092 243 S CA -0.710 57.593 58.200 0.173 0.000 1.048 243 S CB 2.203 65.492 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.061 118.849 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.046 4.120 -0.041 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 -0.334 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.044 113.431 114.554 -0.131 0.000 3.176 245 T HA 0.440 4.766 4.350 -0.041 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.740 69.615 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.451 120.400 -0.117 0.000 2.312 246 D HA 0.334 4.950 4.640 -0.041 0.000 0.248 246 D C 0.298 176.675 176.300 0.127 0.000 1.086 246 D CA -0.694 53.280 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 1.988 123.285 121.223 0.122 0.000 2.766 247 L HA 0.174 4.489 4.340 -0.041 0.000 0.242 247 L C 0.836 177.789 176.870 0.137 0.000 1.136 247 L CA -0.121 54.799 54.840 0.134 0.000 0.933 247 L CB 0.018 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.418 120.085 120.400 0.171 0.000 2.289 248 D HA 0.040 4.655 4.640 -0.041 0.000 0.266 248 D C 0.393 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.809 54.000 0.129 0.000 1.019 248 D CB 0.380 41.260 40.800 0.134 0.000 1.126 248 D HN -0.055 nan 8.370 nan 0.000 0.541 249 M N 1.125 120.754 119.600 0.049 0.000 2.220 249 M HA 0.076 4.531 4.480 -0.041 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.224 54.038 55.300 -0.063 0.000 1.161 249 M CB 1.208 33.783 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.763 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.009 0.000 0.762 251 G N -2.432 106.135 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.879 3.960 -0.041 0.000 0.210 251 G HA3 -0.057 3.879 3.960 -0.041 0.000 0.210 251 G C 0.170 175.066 174.900 -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 0.794 115.362 114.554 0.024 0.000 2.907 252 T HA 0.341 4.667 4.350 -0.041 0.000 0.284 252 T C -1.844 172.959 174.700 0.171 0.000 1.004 252 T CA -1.178 60.975 62.100 0.088 0.000 1.063 252 T CB 2.153 71.056 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.065 nan 4.420 nan 0.000 0.234 253 P C 0.502 177.846 177.300 0.073 0.000 1.162 253 P CA 0.327 63.472 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 -3.619 119.276 122.820 0.125 0.000 2.465 254 A HA 0.195 4.490 4.320 -0.041 0.000 0.255 254 A C 1.110 178.825 177.584 0.217 0.000 1.274 254 A CA -0.271 51.846 52.037 0.134 0.000 0.920 254 A CB -0.802 18.274 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -1.188 120.108 121.300 -0.006 0.000 2.121 255 W HA 0.331 4.966 4.660 -0.041 0.000 0.275 255 W C 0.595 177.098 176.519 -0.027 0.000 0.903 255 W CA 1.072 58.409 57.345 -0.013 0.000 1.253 255 W CB 0.362 29.817 29.460 -0.008 0.000 1.016 255 W HN 0.260 nan 8.180 nan 0.000 0.537 256 Q N 1.459 121.288 119.800 0.049 0.000 2.274 256 Q HA 0.723 5.039 4.340 -0.041 0.000 0.256 256 Q C -0.162 175.720 176.000 -0.197 0.000 0.927 256 Q CA 0.064 55.819 55.803 -0.081 0.000 0.939 256 Q CB 0.962 29.721 28.738 0.035 0.000 1.201 256 Q HN 0.389 nan 8.270 nan 0.000 0.426 257 A N 1.587 124.228 122.820 -0.299 0.000 2.316 257 A HA 0.719 5.015 4.320 -0.041 0.000 0.284 257 A C -0.340 177.017 177.584 -0.378 0.000 1.115 257 A CA -0.340 51.448 52.037 -0.414 0.000 0.812 257 A CB 0.952 19.632 19.000 -0.534 0.000 1.064 257 A HN 1.104 nan 8.150 nan 0.000 0.489 258 V N 2.468 122.089 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.559 4.120 -0.041 0.000 0.306 258 V C -0.984 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.110 32.837 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.052 123.348 120.300 -0.007 0.000 2.782 259 Y HA 0.855 5.380 4.550 -0.041 0.000 0.329 259 Y C 0.251 176.164 175.900 0.021 0.000 1.192 259 Y CA -1.005 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.301 39.774 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N -1.051 119.500 120.400 0.252 0.000 2.976 260 K HA 0.340 4.635 4.320 -0.041 0.000 0.326 260 K C -1.515 175.151 176.600 0.111 0.000 1.180 260 K CA -0.496 55.873 56.287 0.136 0.000 0.936 260 K CB -0.225 32.331 32.500 0.095 0.000 1.355 260 K HN 0.640 nan 8.250 nan 0.000 0.388 261 I N -0.729 119.886 120.570 0.074 0.000 2.834 261 I HA 0.468 4.614 4.170 -0.041 0.000 0.305 261 I C 1.360 177.511 176.117 0.056 0.000 1.008 261 I CA -0.594 60.735 61.300 0.048 0.000 1.273 261 I CB 0.762 38.789 38.000 0.046 0.000 1.432 261 I HN 0.816 nan 8.210 nan 0.000 0.557 262 R N 1.815 122.342 120.500 0.045 0.000 2.057 262 R HA 0.289 4.605 4.340 -0.041 0.000 0.224 262 R C 0.068 176.399 176.300 0.052 0.000 1.136 262 R CA 1.024 57.152 56.100 0.046 0.000 0.968 262 R CB -0.191 30.131 30.300 0.037 0.000 0.863 262 R HN 0.641 nan 8.270 nan 0.000 0.433 263 V N 2.430 122.381 119.914 0.062 0.000 2.483 263 V HA 0.218 4.313 4.120 -0.041 0.000 0.297 263 V C -0.542 175.626 176.094 0.122 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.912 33.779 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.062 121.835 118.700 0.122 0.000 2.801 264 N HA 0.143 4.858 4.740 -0.041 0.000 0.235 264 N C 0.983 176.572 175.510 0.133 0.000 1.069 264 N CA -0.117 53.044 53.050 0.185 0.000 0.946 264 N CB 1.274 39.837 38.487 0.126 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.611 122.981 120.200 0.284 0.000 2.160 265 E HA -0.219 4.107 4.350 -0.041 0.000 0.237 265 E C 1.177 177.687 176.600 -0.150 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 0.723 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 4.321 3.960 -0.041 0.000 0.263 266 G HA3 0.386 4.321 3.960 -0.041 0.000 0.263 266 G C 0.611 174.806 174.900 -1.175 0.000 1.060 266 G CA 0.213 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.801 109.195 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.650 3.960 -0.041 0.000 0.287 267 G HA3 -0.286 3.650 3.960 -0.041 0.000 0.287 267 G C 0.318 175.092 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.292 45.100 -0.259 0.000 0.922 267 G HN 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.764 118.095 119.950 -0.151 0.000 2.963 268 F HA 0.731 5.233 4.527 -0.041 0.000 0.321 268 F C 0.019 175.301 175.800 -0.864 0.000 1.234 268 F CA -1.450 56.287 58.000 -0.437 0.000 1.296 268 F CB 0.175 38.873 39.000 -0.503 0.000 0.981 268 F HN -0.036 nan 8.300 nan 0.000 0.507 269 F N 0.760 120.815 119.950 0.176 0.000 2.615 269 F HA 0.404 4.907 4.527 -0.041 0.000 0.312 269 F C -0.774 175.044 175.800 0.031 0.000 1.119 269 F CA -1.220 56.821 58.000 0.068 0.000 0.979 269 F CB 1.914 40.941 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.341 121.167 118.700 0.210 0.000 2.229 270 N HA 0.702 5.417 4.740 -0.041 0.000 0.298 270 N C -1.924 173.626 175.510 0.065 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.363 40.887 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.268 121.859 120.570 0.034 0.000 2.571 271 I HA 0.465 4.611 4.170 -0.041 0.000 0.289 271 I C -0.947 175.173 176.117 0.004 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 3.991 118.535 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.925 4.350 -0.041 0.000 0.282 272 T C -0.471 174.249 174.700 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 5.008 4.350 -0.041 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 0.708 121.136 120.400 0.047 0.000 2.936 274 D HA 0.380 4.995 4.640 -0.041 0.000 0.238 274 D C -2.763 173.569 176.300 0.053 0.000 1.248 274 D CA -2.276 51.747 54.000 0.038 0.000 0.903 274 D CB 2.056 42.870 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.086 nan 4.420 nan 0.000 0.238 275 P C -0.177 177.210 177.300 0.145 0.000 1.649 275 P CA 0.439 63.620 63.100 0.134 0.000 0.960 275 P CB -0.045 31.727 31.700 0.121 0.000 1.911 276 E N -1.839 118.437 120.200 0.128 0.000 2.357 276 E HA 0.148 4.473 4.350 -0.041 0.000 0.190 276 E C 0.583 177.295 176.600 0.187 0.000 1.022 276 E CA -0.097 56.377 56.400 0.123 0.000 1.068 276 E CB -0.302 29.441 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.706 116.478 115.700 0.120 0.000 2.901 277 S HA 0.139 4.584 4.470 -0.041 0.000 0.248 277 S C -0.622 173.936 174.600 -0.069 0.000 1.021 277 S CA 0.063 58.331 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.347 120.003 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.468 4.740 -0.041 0.000 0.271 278 N C -0.123 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.112 0.000 0.833 278 N CB -0.918 37.394 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.033 119.765 119.800 -0.005 0.000 2.443 279 Q HA 0.235 4.551 4.340 -0.041 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.163 55.968 55.803 0.003 0.000 0.924 279 Q CB 0.801 29.536 28.738 -0.005 0.000 1.256 279 Q HN 0.539 nan 8.270 nan 0.000 0.519 280 G N 1.333 110.024 108.800 -0.182 0.000 2.350 280 G HA2 0.425 4.360 3.960 -0.041 0.000 0.306 280 G HA3 0.425 4.360 3.960 -0.041 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 -0.571 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.408 4.553 4.170 -0.041 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 0.692 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 7.977 129.064 121.223 -0.227 0.000 2.343 282 L HA 0.651 4.967 4.340 -0.041 0.000 0.275 282 L C -0.191 176.590 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.635 43.544 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.401 113.124 114.554 -0.048 0.000 2.754 283 T HA 0.442 4.768 4.350 -0.041 0.000 0.296 283 T C -0.563 174.222 174.700 0.142 0.000 1.205 283 T CA -0.706 61.378 62.100 -0.026 0.000 1.009 283 T CB 1.534 70.372 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.064 114.535 114.554 0.075 0.000 2.771 284 T HA 0.653 4.979 4.350 -0.041 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.281 70.140 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.337 126.075 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.388 4.320 -0.041 0.000 0.213 285 A C 1.233 178.790 177.584 -0.045 0.000 1.202 285 A CA 0.517 52.520 52.037 -0.057 0.000 0.607 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.920 119.446 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.783 4.320 -0.041 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 0.026 32.542 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.501 110.259 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.661 3.960 -0.041 0.000 0.385 287 G HA3 -0.274 3.661 3.960 -0.041 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.978 119.124 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.206 4.340 -0.041 0.000 0.255 288 L C 0.585 177.352 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.309 0.000 1.526 288 L CB 1.451 43.119 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.372 118.853 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.809 4.640 -0.041 0.000 0.292 289 D C -1.085 175.327 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.263 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.911 118.042 119.950 0.005 0.000 2.817 290 F HA 0.677 5.179 4.527 -0.041 0.000 0.317 290 F C 0.171 175.984 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.843 39.862 39.000 0.031 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.112 120.553 120.200 0.401 0.000 2.630 291 E HA 0.397 4.722 4.350 -0.041 0.000 0.218 291 E C 0.918 177.622 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.618 30.401 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.090 121.244 121.223 0.185 0.000 2.286 292 L HA 0.297 4.612 4.340 -0.041 0.000 0.203 292 L C 0.487 177.192 176.870 -0.274 0.000 1.068 292 L CA 0.490 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.782 119.694 120.500 -0.040 0.000 2.668 293 R HA 0.476 4.792 4.340 -0.041 0.000 0.272 293 R C -0.002 176.573 176.300 0.459 0.000 1.019 293 R CA 0.113 56.307 56.100 0.156 0.000 0.894 293 R CB 1.501 31.769 30.300 -0.053 0.000 1.228 293 R HN -0.271 nan 8.270 nan 0.000 0.460 294 K N 0.935 121.429 120.400 0.157 0.000 2.436 294 K HA 0.192 4.487 4.320 -0.041 0.000 0.198 294 K C 0.665 177.311 176.600 0.076 0.000 1.174 294 K CA 0.564 56.934 56.287 0.137 0.000 0.951 294 K CB 0.629 33.178 32.500 0.080 0.000 1.040 294 K HN 0.512 nan 8.250 nan 0.000 0.536 295 Q N -0.665 119.084 119.800 -0.085 0.000 2.245 295 Q HA 0.599 4.915 4.340 -0.041 0.000 0.256 295 Q C -1.612 174.119 176.000 -0.449 0.000 0.942 295 Q CA -0.937 54.785 55.803 -0.135 0.000 0.896 295 Q CB 1.545 30.226 28.738 -0.095 0.000 1.272 295 Q HN 0.488 nan 8.270 nan 0.000 0.442 296 Y N 0.481 120.810 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.784 4.550 -0.041 0.000 0.329 296 Y C -0.826 175.064 175.900 -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 40.026 38.460 0.020 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.443 126.412 119.914 0.091 0.000 2.311 297 V HA 0.523 4.619 4.120 -0.041 0.000 0.275 297 V C -0.404 175.714 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.636 32.468 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.215 124.437 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.128 4.340 -0.041 0.000 0.260 298 L C -0.910 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.352 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.407 121.181 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.026 4.340 -0.041 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.311 32.030 28.738 -0.031 0.000 1.327 299 Q HN 0.483 nan 8.270 nan 0.000 0.441 300 I N 1.422 121.967 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.422 4.170 -0.041 0.000 0.289 300 I C 0.011 176.244 176.117 0.192 0.000 1.026 300 I CA -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.074 40.117 38.000 0.070 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.105 4.350 -0.041 0.000 0.283 301 T C -0.449 174.409 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.943 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.535 121.547 119.914 0.162 0.000 2.588 302 V HA 0.600 4.695 4.120 -0.041 0.000 0.304 302 V C -0.937 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.569 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.548 33.107 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.407 124.499 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.856 4.350 -0.041 0.000 0.251 303 E C -0.998 175.523 176.600 -0.133 0.000 0.910 303 E CA -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.859 31.518 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.201 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.090 4.740 -0.041 0.000 0.288 304 N C 0.300 175.712 175.510 -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 0.232 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.204 4.320 -0.041 0.000 0.215 305 A C 0.506 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.197 53.175 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.450 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 4.824 4.350 -0.041 0.000 0.277 306 E C -2.746 173.690 176.600 -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 30.140 29.700 -0.073 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.010 177.300 -0.394 0.000 1.243 307 P CA 0.148 63.001 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.595 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.736 4.527 -0.041 0.000 0.333 308 F C 1.370 177.173 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.366 39.363 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.555 116.390 115.700 0.224 0.000 2.786 309 S HA 0.339 4.784 4.470 -0.041 0.000 0.223 309 S C 0.025 174.688 174.600 0.105 0.000 0.956 309 S CA -0.073 58.202 58.200 0.124 0.000 0.961 309 S CB -0.481 62.777 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.836 120.829 119.914 0.131 0.000 3.155 310 V HA 0.243 4.338 4.120 -0.041 0.000 0.272 310 V C -2.880 173.244 176.094 0.051 0.000 1.639 310 V CA -1.889 60.450 62.300 0.066 0.000 1.006 310 V CB 2.110 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.572 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 0.163 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 3.144 124.281 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.877 4.340 -0.041 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.307 44.053 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.097 176.153 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.120 32.787 31.700 -0.055 0.000 0.925 314 T N 1.674 116.215 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.538 4.350 -0.041 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.220 62.340 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 2.788 118.558 115.700 0.117 0.000 2.530 315 S HA 0.462 4.907 4.470 -0.041 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 64.058 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 4.996 4.350 -0.041 0.000 0.287 316 T C -0.016 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.150 70.016 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.720 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.935 4.320 -0.041 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 -0.177 0.000 2.744 318 T HA 0.567 4.893 4.350 -0.041 0.000 0.291 318 T C -0.286 174.379 174.700 -0.059 0.000 0.957 318 T CA -0.463 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.109 69.941 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.839 122.711 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.634 4.120 -0.041 0.000 0.311 319 V C -0.042 176.032 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.587 34.335 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.945 118.499 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.966 4.350 -0.041 0.000 0.283 320 T C -0.496 174.227 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.318 70.202 68.868 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.212 123.178 119.914 0.086 0.000 2.715 321 V HA 0.703 4.798 4.120 -0.041 0.000 0.310 321 V C 0.119 176.312 176.094 0.165 0.000 1.054 321 V CA -0.812 61.553 62.300 0.107 0.000 0.928 321 V CB 2.174 34.048 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.396 117.020 114.554 0.117 0.000 2.879 322 T HA 0.471 4.797 4.350 -0.041 0.000 0.290 322 T C -0.572 174.173 174.700 0.075 0.000 0.993 322 T CA -0.398 61.764 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.018 123.973 119.914 0.067 0.000 2.368 323 V HA 0.250 4.345 4.120 -0.041 0.000 0.266 323 V C 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.375 32.123 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.688 122.865 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.520 4.350 -0.041 0.000 0.259 324 E C -0.669 175.900 176.600 -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 -0.040 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.777 121.155 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.948 4.640 -0.041 0.000 0.247 325 D C -1.675 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.546 53.434 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 3.642 123.529 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.625 4.120 -0.041 0.000 0.312 326 V C -1.180 174.897 176.094 -0.029 0.000 1.061 326 V CA -0.797 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.981 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 3.942 122.626 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.141 4.740 -0.041 0.000 0.271 327 N C -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.716 40.191 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.889 121.087 120.200 -0.005 0.000 2.250 328 E HA 0.638 4.964 4.350 -0.041 0.000 0.265 328 E C -0.158 176.442 176.600 -0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.794 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.010 124.826 122.820 -0.007 0.000 2.507 329 A HA 0.311 4.607 4.320 -0.041 0.000 0.235 329 A C -2.132 175.465 177.584 0.021 0.000 1.070 329 A CA -0.726 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 0.662 nan 4.420 nan 0.000 0.284 330 P C -0.903 176.360 177.300 -0.061 0.000 1.292 330 P CA -0.269 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.497 32.061 31.700 -0.226 0.000 1.188 331 F N -2.924 116.926 119.950 -0.167 0.000 2.615 331 F HA 0.602 5.104 4.527 -0.041 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 0.260 39.201 39.000 -0.099 0.000 1.266 331 F HN 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.565 121.623 119.950 0.179 0.000 2.490 332 F HA 0.388 4.890 4.527 -0.041 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.143 39.227 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.737 119.404 119.914 0.379 0.000 2.251 333 V HA -0.034 4.062 4.120 -0.041 0.000 0.230 333 V C -1.320 174.954 176.094 0.300 0.000 1.032 333 V CA 0.461 62.976 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.559 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.342 177.300 0.167 0.000 1.309 334 P CA -0.126 63.067 63.100 0.155 0.000 0.739 334 P CB 0.309 32.069 31.700 0.099 0.000 1.454 335 A N -0.173 122.712 122.820 0.108 0.000 2.702 335 A HA 0.492 4.787 4.320 -0.041 0.000 0.305 335 A C -0.800 176.813 177.584 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 0.083 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.337 121.267 119.914 0.027 0.000 2.439 336 V HA 0.306 4.401 4.120 -0.041 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA -0.000 62.309 62.300 0.016 0.000 1.002 336 V CB 0.958 32.779 31.823 -0.004 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 3.882 119.598 115.700 0.027 0.000 3.158 337 S HA 0.538 4.984 4.470 -0.041 0.000 0.215 337 S C 0.945 175.573 174.600 0.046 0.000 1.359 337 S CA 0.193 58.416 58.200 0.037 0.000 0.974 337 S CB 0.140 63.362 63.200 0.036 0.000 1.336 337 S HN 0.968 nan 8.310 nan 0.000 0.488 338 R N 1.875 122.402 120.500 0.045 0.000 2.009 338 R HA 0.399 4.715 4.340 -0.041 0.000 0.206 338 R C 0.863 177.193 176.300 0.050 0.000 1.356 338 R CA 1.273 57.397 56.100 0.040 0.000 1.088 338 R CB -1.243 29.070 30.300 0.021 0.000 0.959 338 R HN 0.616 nan 8.270 nan 0.000 0.469 339 V N 1.924 121.871 119.914 0.054 0.000 2.341 339 V HA 0.267 4.363 4.120 -0.041 0.000 0.248 339 V C -1.343 174.793 176.094 0.071 0.000 1.107 339 V CA -1.021 61.310 62.300 0.051 0.000 1.069 339 V CB -0.011 31.837 31.823 0.041 0.000 1.177 339 V HN 0.375 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 4.920 4.640 -0.041 0.000 0.240 340 D C -0.151 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.514 54.492 54.000 -0.035 0.000 0.967 340 D CB 1.283 41.987 40.800 -0.160 0.000 1.059 340 D HN 0.499 nan 8.370 nan 0.000 0.512 341 V N 1.809 121.718 119.914 -0.009 0.000 2.628 341 V HA 0.536 4.631 4.120 -0.041 0.000 0.306 341 V C 0.040 176.117 176.094 -0.029 0.000 1.045 341 V CA -0.680 61.608 62.300 -0.020 0.000 0.905 341 V CB 2.015 33.836 31.823 -0.003 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 -0.046 0.000 2.632 342 S HA 0.290 4.736 4.470 -0.041 0.000 0.267 342 S C 0.951 175.509 174.600 -0.070 0.000 1.276 342 S CA 0.387 58.557 58.200 -0.051 0.000 0.998 342 S CB 1.198 64.366 63.200 -0.052 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.362 120.200 -0.076 0.000 2.204 343 E HA -0.218 4.108 4.350 -0.041 0.000 0.195 343 E C 0.923 177.451 176.600 -0.119 0.000 0.990 343 E CA 1.270 57.602 56.400 -0.113 0.000 0.821 343 E CB -0.225 29.419 29.700 -0.093 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.268 120.400 -0.087 0.000 2.371 344 D HA -0.029 4.587 4.640 -0.041 0.000 0.234 344 D C 0.300 176.551 176.300 -0.081 0.000 1.049 344 D CA -0.021 53.932 54.000 -0.078 0.000 0.907 344 D CB -0.050 40.715 40.800 -0.058 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.240 122.407 121.223 -0.094 0.000 2.525 345 L HA 0.012 4.328 4.340 -0.041 0.000 0.278 345 L C 0.223 177.041 176.870 -0.086 0.000 1.218 345 L CA -0.215 54.574 54.840 -0.085 0.000 0.878 345 L CB 0.486 42.493 42.059 -0.087 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.559 120.221 115.700 -0.064 0.000 2.430 346 S HA 0.131 4.576 4.470 -0.041 0.000 0.282 346 S C 0.297 174.865 174.600 -0.053 0.000 1.186 346 S CA -0.781 57.386 58.200 -0.055 0.000 1.060 346 S CB 0.454 63.628 63.200 -0.042 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.878 123.344 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.493 4.340 -0.041 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 -0.047 0.000 1.007 347 R CB -1.332 28.942 30.300 -0.044 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.845 111.630 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.818 3.960 -0.041 0.000 0.139 348 G HA3 -0.118 3.818 3.960 -0.041 0.000 0.139 348 G C -0.924 173.963 174.900 -0.022 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 -0.065 120.120 120.200 -0.023 0.000 2.293 349 E HA 0.660 4.985 4.350 -0.041 0.000 0.270 349 E C 0.461 177.048 176.600 -0.022 0.000 0.879 349 E CA -0.209 56.177 56.400 -0.025 0.000 0.756 349 E CB 1.554 31.236 29.700 -0.030 0.000 1.208 349 E HN 0.703 nan 8.360 nan 0.000 0.428 350 K N 3.382 123.768 120.400 -0.023 0.000 2.402 350 K HA 0.072 4.368 4.320 -0.041 0.000 0.279 350 K C 0.759 177.347 176.600 -0.020 0.000 1.082 350 K CA 0.576 56.849 56.287 -0.024 0.000 1.080 350 K CB -0.737 31.747 32.500 -0.026 0.000 0.899 350 K HN 0.469 nan 8.250 nan 0.000 0.469 351 I N 1.001 121.560 120.570 -0.017 0.000 3.098 351 I HA 0.200 4.345 4.170 -0.041 0.000 0.241 351 I C 0.838 176.947 176.117 -0.013 0.000 1.081 351 I CA 0.271 61.566 61.300 -0.008 0.000 1.487 351 I CB 0.324 38.329 38.000 0.008 0.000 1.366 351 I HN 0.754 nan 8.210 nan 0.000 0.463 352 I N -0.350 120.206 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.490 4.170 -0.041 0.000 0.279 352 I C -0.637 175.444 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.432 39.410 38.000 -0.037 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.293 122.960 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.055 4.470 -0.041 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 5.303 4.340 -0.041 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 -0.088 0.000 0.818 354 L CB 0.546 42.542 42.059 -0.106 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.115 116.810 119.914 0.018 0.000 3.049 355 V HA 1.061 5.156 4.120 -0.041 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 0.062 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.984 124.962 122.820 0.263 0.000 2.423 356 A HA 0.924 5.219 4.320 -0.041 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 -0.603 0.000 2.387 357 Q HA 0.399 4.715 4.340 -0.041 0.000 0.273 357 Q C -1.743 173.709 176.000 -0.915 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.773 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.985 122.143 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.862 4.640 -0.041 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.953 40.800 -0.126 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.171 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.936 64.116 63.100 0.133 0.000 0.938 359 P CB -0.364 31.422 31.700 0.143 0.000 0.777 360 D N 1.584 122.013 120.400 0.049 0.000 2.899 360 D HA -0.057 4.559 4.640 -0.041 0.000 0.254 360 D C 0.669 176.985 176.300 0.026 0.000 1.320 360 D CA 0.543 54.564 54.000 0.034 0.000 0.929 360 D CB -0.494 40.317 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.025 123.445 120.400 0.034 0.000 2.110 361 K HA -0.032 4.263 4.320 -0.041 0.000 0.260 361 K C 0.151 176.764 176.600 0.021 0.000 1.126 361 K CA 0.123 56.426 56.287 0.026 0.000 1.005 361 K CB 0.234 32.752 32.500 0.029 0.000 1.336 361 K HN 0.606 nan 8.250 nan 0.000 0.369 362 Q N 2.683 122.491 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.282 4.340 -0.041 0.000 0.169 362 Q C -0.568 175.434 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.294 121.096 119.800 0.004 0.000 2.851 363 Q HA -0.034 4.281 4.340 -0.041 0.000 0.319 363 Q C -0.573 175.426 176.000 -0.002 0.000 1.225 363 Q CA 1.518 57.319 55.803 -0.003 0.000 1.110 363 Q CB -0.627 28.109 28.738 -0.002 0.000 1.128 363 Q HN 0.481 nan 8.270 nan 0.000 0.440 364 I N 2.281 122.848 120.570 -0.005 0.000 2.816 364 I HA 0.223 4.368 4.170 -0.041 0.000 0.279 364 I C -0.738 175.374 176.117 -0.008 0.000 1.662 364 I CA -0.497 60.801 61.300 -0.004 0.000 0.785 364 I CB 0.589 38.589 38.000 -0.001 0.000 1.738 364 I HN 0.569 nan 8.210 nan 0.000 0.561 365 Q N 0.708 120.500 119.800 -0.013 0.000 2.418 365 Q HA 0.657 4.972 4.340 -0.041 0.000 0.240 365 Q C -1.048 174.934 176.000 -0.029 0.000 0.859 365 Q CA -0.664 55.127 55.803 -0.021 0.000 0.916 365 Q CB 1.584 30.306 28.738 -0.026 0.000 1.448 365 Q HN 0.608 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 5.082 4.320 -0.041 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.011 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.887 119.275 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.024 4.340 -0.041 0.000 0.255 367 L C -1.011 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.768 53.983 54.840 -0.148 0.000 0.846 367 L CB 1.803 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.525 114.129 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.138 4.470 -0.041 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 2.043 122.489 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.107 4.550 -0.041 0.000 0.340 369 Y C -0.427 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.739 57.529 58.100 0.279 0.000 1.196 369 Y CB 0.282 38.835 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.889 122.969 119.950 0.216 0.000 2.546 370 F HA 0.526 5.029 4.527 -0.041 0.000 0.320 370 F C -0.214 175.672 175.800 0.143 0.000 1.076 370 F CA -1.308 56.776 58.000 0.139 0.000 0.928 370 F CB 0.983 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 0.352 121.071 120.570 0.249 0.000 3.514 371 I HA 0.703 4.849 4.170 -0.041 0.000 0.300 371 I C 1.077 177.288 176.117 0.156 0.000 1.194 371 I CA -0.304 61.092 61.300 0.160 0.000 0.968 371 I CB 1.240 39.286 38.000 0.076 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.508 109.362 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.950 3.960 -0.041 0.000 0.195 372 G HA3 0.014 3.950 3.960 -0.041 0.000 0.195 372 G C 0.415 175.326 174.900 0.018 0.000 1.420 372 G CA -0.201 44.940 45.100 0.068 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.543 119.241 118.700 -0.003 0.000 2.229 373 N HA 0.369 5.085 4.740 -0.041 0.000 0.242 373 N C 0.517 175.979 175.510 -0.080 0.000 1.327 373 N CA 1.181 54.205 53.050 -0.044 0.000 0.896 373 N CB 0.445 38.890 38.487 -0.069 0.000 1.129 373 N HN 0.361 nan 8.380 nan 0.000 0.490 374 D N -1.075 119.256 120.400 -0.115 0.000 2.738 374 D HA 0.176 4.791 4.640 -0.041 0.000 0.345 374 D C -2.317 173.870 176.300 -0.190 0.000 1.465 374 D CA -0.520 53.397 54.000 -0.138 0.000 0.935 374 D CB -0.629 40.119 40.800 -0.086 0.000 1.543 374 D HN 0.403 nan 8.370 nan 0.000 0.399 375 P HA 0.386 nan 4.420 nan 0.000 0.271 375 P C 0.639 177.614 177.300 -0.542 0.000 1.212 375 P CA 0.616 63.499 63.100 -0.361 0.000 0.788 375 P CB 0.677 32.061 31.700 -0.528 0.000 0.865 376 A N 1.664 124.117 122.820 -0.611 0.000 2.587 376 A HA 0.320 4.615 4.320 -0.041 0.000 0.235 376 A C 0.906 178.056 177.584 -0.723 0.000 1.044 376 A CA 0.425 52.164 52.037 -0.497 0.000 0.754 376 A CB -0.698 18.182 19.000 -0.200 0.000 0.968 376 A HN 0.709 nan 8.150 nan 0.000 0.509 377 R N 1.309 121.609 120.500 -0.335 0.000 4.237 377 R HA -0.109 4.206 4.340 -0.041 0.000 0.171 377 R C 0.215 176.565 176.300 0.083 0.000 0.417 377 R CA 1.930 57.947 56.100 -0.138 0.000 0.895 377 R CB -1.396 28.892 30.300 -0.021 0.000 1.009 377 R HN 0.864 nan 8.270 nan 0.000 0.271 378 W N 1.947 123.222 121.300 -0.041 0.000 4.409 378 W HA 0.216 4.851 4.660 -0.041 0.000 0.188 378 W C 0.980 177.481 176.519 -0.029 0.000 2.080 378 W CA 0.181 57.496 57.345 -0.050 0.000 2.369 378 W CB -1.221 28.189 29.460 -0.083 0.000 1.412 378 W HN 0.588 nan 8.180 nan 0.000 0.720 379 L N 1.898 123.306 121.223 0.308 0.000 2.516 379 L HA 0.469 4.784 4.340 -0.041 0.000 0.288 379 L C -0.033 176.887 176.870 0.084 0.000 1.246 379 L CA 0.840 55.778 54.840 0.163 0.000 0.844 379 L CB -0.462 41.692 42.059 0.157 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.609 115.192 114.554 0.049 0.000 3.012 380 T HA 0.505 4.831 4.350 -0.041 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.018 0.000 1.067 380 T CB 1.908 70.784 68.868 0.013 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.086 120.989 119.914 -0.018 0.000 2.547 381 V HA 0.723 4.818 4.120 -0.041 0.000 0.299 381 V C 0.070 176.134 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.565 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.456 122.119 118.700 -0.062 0.000 2.414 382 N HA 0.306 5.021 4.740 -0.041 0.000 0.256 382 N C 0.756 176.249 175.510 -0.028 0.000 1.029 382 N CA 0.304 53.322 53.050 -0.053 0.000 0.948 382 N CB 1.999 40.450 38.487 -0.061 0.000 1.102 382 N HN 0.959 nan 8.380 nan 0.000 0.496 383 K N 2.547 122.936 120.400 -0.019 0.000 2.217 383 K HA -0.055 4.241 4.320 -0.041 0.000 0.202 383 K C 0.726 177.484 176.600 0.263 0.000 1.051 383 K CA 1.400 57.721 56.287 0.055 0.000 0.952 383 K CB -0.300 32.078 32.500 -0.202 0.000 0.736 383 K HN 0.773 nan 8.250 nan 0.000 0.453 384 D N -0.938 119.554 120.400 0.154 0.000 2.358 384 D HA 0.059 4.674 4.640 -0.041 0.000 0.224 384 D C 0.133 176.545 176.300 0.186 0.000 1.123 384 D CA 0.063 54.175 54.000 0.186 0.000 0.833 384 D CB 0.291 41.142 40.800 0.084 0.000 0.946 384 D HN 0.612 nan 8.370 nan 0.000 0.505 385 N N -0.131 118.630 118.700 0.101 0.000 1.958 385 N HA 0.050 4.766 4.740 -0.041 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.072 0.000 0.737 385 N CB 0.817 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.742 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.703 3.960 -0.041 0.000 0.265 386 G HA3 -0.233 3.703 3.960 -0.041 0.000 0.265 386 G C -0.434 174.187 174.900 -0.465 0.000 0.861 386 G CA 0.617 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.679 121.093 120.570 -0.261 0.000 2.439 387 I HA 0.297 4.442 4.170 -0.041 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 5.085 124.944 119.914 -0.090 0.000 2.348 388 V HA 0.335 4.431 4.120 -0.041 0.000 0.270 388 V C 0.665 176.741 176.094 -0.030 0.000 1.037 388 V CA -0.339 61.929 62.300 -0.053 0.000 0.872 388 V CB 0.976 32.769 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.648 116.192 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.083 4.350 -0.041 0.000 0.283 389 T C 0.213 174.922 174.700 0.014 0.000 1.012 389 T CA -0.412 61.682 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.864 68.868 -0.014 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.007 0.000 2.744 390 G HA2 0.492 4.427 3.960 -0.041 0.000 0.309 390 G HA3 0.492 4.427 3.960 -0.041 0.000 0.309 390 G C -0.743 174.157 174.900 -0.000 0.000 1.328 390 G CA -0.824 44.286 45.100 0.017 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 0.031 0.000 2.482 391 N HA 0.717 5.432 4.740 -0.041 0.000 0.279 391 N C 0.575 176.086 175.510 0.002 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.749 40.260 38.487 0.039 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N -1.269 107.514 108.800 -0.030 0.000 2.757 392 G HA2 -0.102 3.834 3.960 -0.041 0.000 0.638 392 G HA3 -0.102 3.834 3.960 -0.041 0.000 0.638 392 G C -0.824 173.951 174.900 -0.208 0.000 1.344 392 G CA -0.393 44.658 45.100 -0.081 0.000 0.855 392 G HN 0.880 nan 8.290 nan 0.000 0.537 393 N N -0.795 117.762 118.700 -0.238 0.000 2.419 393 N HA 0.808 5.523 4.740 -0.041 0.000 0.277 393 N C -0.141 175.069 175.510 -0.501 0.000 1.006 393 N CA 0.102 52.991 53.050 -0.269 0.000 0.923 393 N CB 1.382 39.785 38.487 -0.141 0.000 1.140 393 N HN 0.893 nan 8.380 nan 0.000 0.488 394 L N 0.126 121.018 121.223 -0.551 0.000 2.260 394 L HA 0.814 5.129 4.340 -0.041 0.000 0.265 394 L C -0.396 176.254 176.870 -0.367 0.000 1.015 394 L CA -0.770 53.610 54.840 -0.766 0.000 0.826 394 L CB 1.930 43.469 42.059 -0.866 0.000 1.373 394 L HN 0.683 nan 8.230 nan 0.000 0.450 395 D N -1.854 118.380 120.400 -0.277 0.000 2.266 395 D HA 0.392 5.007 4.640 -0.041 0.000 0.218 395 D C 0.627 176.897 176.300 -0.051 0.000 1.311 395 D CA 0.094 54.023 54.000 -0.118 0.000 0.918 395 D CB 0.857 41.621 40.800 -0.060 0.000 1.530 395 D HN 0.507 nan 8.370 nan 0.000 0.514 396 R N 1.726 122.202 120.500 -0.040 0.000 2.133 396 R HA -0.208 4.107 4.340 -0.041 0.000 0.247 396 R C 1.572 177.897 176.300 0.042 0.000 1.151 396 R CA 2.017 58.127 56.100 0.017 0.000 0.971 396 R CB -1.018 29.296 30.300 0.024 0.000 0.866 396 R HN 0.424 nan 8.270 nan 0.000 0.447 397 E N -0.488 119.727 120.200 0.025 0.000 2.333 397 E HA -0.087 4.238 4.350 -0.041 0.000 0.200 397 E C 1.563 178.192 176.600 0.048 0.000 1.010 397 E CA 1.650 58.070 56.400 0.033 0.000 0.841 397 E CB 0.061 29.773 29.700 0.020 0.000 0.757 397 E HN 0.585 nan 8.360 nan 0.000 0.508 398 S N -2.500 113.242 115.700 0.070 0.000 2.597 398 S HA 0.087 4.533 4.470 -0.041 0.000 0.275 398 S C 1.278 175.921 174.600 0.071 0.000 1.040 398 S CA 0.258 58.499 58.200 0.069 0.000 1.187 398 S CB 0.112 63.339 63.200 0.045 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.826 119.444 120.200 0.116 0.000 2.357 399 E HA 0.212 4.538 4.350 -0.041 0.000 0.202 399 E C 1.078 177.661 176.600 -0.029 0.000 0.855 399 E CA 0.122 56.521 56.400 -0.002 0.000 1.048 399 E CB -0.180 29.447 29.700 -0.122 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 0.115 0.000 2.231 400 Y HA 0.116 4.641 4.550 -0.041 0.000 0.294 400 Y C 0.800 176.799 175.900 0.164 0.000 1.120 400 Y CA 0.389 58.574 58.100 0.143 0.000 1.141 400 Y CB 0.097 38.683 38.460 0.209 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.074 122.213 119.914 0.375 0.000 2.583 401 V HA -0.044 4.051 4.120 -0.041 0.000 0.302 401 V C 0.654 176.849 176.094 0.167 0.000 1.033 401 V CA 1.005 63.469 62.300 0.273 0.000 1.194 401 V CB -0.500 31.453 31.823 0.217 0.000 0.879 401 V HN 0.457 nan 8.190 nan 0.000 0.482 402 K N 4.915 125.397 120.400 0.136 0.000 2.786 402 K HA 0.259 4.554 4.320 -0.041 0.000 0.224 402 K C 0.907 177.541 176.600 0.057 0.000 1.089 402 K CA 0.577 56.912 56.287 0.080 0.000 1.162 402 K CB -0.422 32.117 32.500 0.065 0.000 1.585 402 K HN 0.620 nan 8.250 nan 0.000 0.466 403 N N 0.333 119.056 118.700 0.039 0.000 2.328 403 N HA 0.092 4.807 4.740 -0.041 0.000 0.277 403 N C 1.104 176.626 175.510 0.021 0.000 1.286 403 N CA 0.885 53.946 53.050 0.019 0.000 0.949 403 N CB -0.190 38.296 38.487 -0.001 0.000 1.136 403 N HN 0.578 nan 8.380 nan 0.000 0.550 404 N N -1.210 117.483 118.700 -0.012 0.000 2.760 404 N HA -0.095 4.620 4.740 -0.041 0.000 0.200 404 N C 0.812 176.307 175.510 -0.026 0.000 1.306 404 N CA 1.398 54.433 53.050 -0.025 0.000 0.957 404 N CB -1.013 37.416 38.487 -0.097 0.000 1.041 404 N HN 0.703 nan 8.380 nan 0.000 0.448 405 T N -2.525 112.039 114.554 0.018 0.000 2.810 405 T HA 0.481 4.807 4.350 -0.041 0.000 0.277 405 T C -0.755 174.082 174.700 0.228 0.000 0.973 405 T CA -0.347 61.794 62.100 0.069 0.000 0.949 405 T CB 0.799 69.683 68.868 0.026 0.000 1.075 405 T HN 0.552 nan 8.240 nan 0.000 0.537 406 Y N 0.713 121.046 120.300 0.056 0.000 2.237 406 Y HA 0.322 4.847 4.550 -0.041 0.000 0.316 406 Y C -0.866 175.052 175.900 0.030 0.000 1.236 406 Y CA -0.749 57.393 58.100 0.069 0.000 1.257 406 Y CB 0.654 39.209 38.460 0.159 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.117 117.366 114.554 -0.509 0.000 2.823 407 T HA 0.881 5.207 4.350 -0.041 0.000 0.279 407 T C -0.861 173.532 174.700 -0.511 0.000 0.998 407 T CA -0.846 61.041 62.100 -0.354 0.000 0.994 407 T CB 2.133 70.876 68.868 -0.209 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.983 122.714 119.914 -0.306 0.000 2.888 408 V HA 0.560 4.656 4.120 -0.041 0.000 0.309 408 V C -0.636 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.019 61.134 62.300 -0.245 0.000 0.940 408 V CB 2.001 33.710 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.040 124.561 120.570 -0.081 0.000 2.693 409 I HA 0.689 4.834 4.170 -0.041 0.000 0.303 409 I C -0.269 175.861 176.117 0.021 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 0.013 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.444 124.092 119.600 0.080 0.000 2.704 410 M HA 0.641 5.096 4.480 -0.041 0.000 0.284 410 M C -1.243 175.325 176.300 0.447 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.638 35.238 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 0.490 0.000 2.257 411 L HA 0.952 5.268 4.340 -0.041 0.000 0.257 411 L C -1.204 175.958 176.870 0.486 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.556 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 -0.405 119.565 119.914 0.094 0.000 3.000 412 V HA 0.522 4.618 4.120 -0.041 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.211 62.300 -0.015 0.000 0.972 412 V CB 2.387 34.117 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.154 117.607 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.764 4.350 -0.041 0.000 0.282 413 T C -1.096 173.510 174.700 -0.156 0.000 0.993 413 T CA -0.314 61.673 62.100 -0.188 0.000 0.967 413 T CB 1.229 69.946 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 3.588 123.906 120.400 -0.137 0.000 2.374 414 D HA 0.461 5.076 4.640 -0.041 0.000 0.240 414 D C 0.352 176.604 176.300 -0.081 0.000 1.229 414 D CA 0.310 54.246 54.000 -0.107 0.000 0.895 414 D CB 0.048 40.794 40.800 -0.090 0.000 1.046 414 D HN 0.736 nan 8.370 nan 0.000 0.498 415 D N 0.652 121.012 120.400 -0.066 0.000 2.723 415 D HA 0.685 5.300 4.640 -0.041 0.000 0.247 415 D C 1.199 177.478 176.300 -0.034 0.000 1.134 415 D CA -0.206 53.768 54.000 -0.044 0.000 1.099 415 D CB 0.199 40.983 40.800 -0.026 0.000 1.287 415 D HN 0.690 nan 8.370 nan 0.000 0.634 416 G N -2.487 106.300 108.800 -0.021 0.000 2.527 416 G HA2 -0.124 3.812 3.960 -0.041 0.000 0.218 416 G HA3 -0.124 3.812 3.960 -0.041 0.000 0.218 416 G C 1.245 176.136 174.900 -0.016 0.000 1.177 416 G CA 1.969 47.059 45.100 -0.016 0.000 0.695 416 G HN 2.075 nan 8.290 nan 0.000 0.517 417 V N -4.478 115.424 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.824 4.120 -0.041 0.000 0.268 417 V C 0.936 177.015 176.094 -0.024 0.000 1.631 417 V CA 1.534 63.823 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.221 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.088 4.470 -0.041 0.000 0.119 418 S C -0.489 174.085 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.076 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.026 119.909 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.860 4.120 -0.041 0.000 0.298 419 V C -0.669 175.381 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.064 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 0.628 109.373 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.500 3.960 -0.041 0.000 0.298 420 G HA3 0.565 4.500 3.960 -0.041 0.000 0.298 420 G C -1.331 173.493 174.900 -0.127 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 -0.443 114.040 114.554 -0.118 0.000 2.916 421 T HA 0.768 5.093 4.350 -0.041 0.000 0.305 421 T C -0.103 174.505 174.700 -0.153 0.000 1.119 421 T CA -0.014 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.960 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.695 110.367 108.800 -0.214 0.000 2.845 422 G HA2 0.506 4.441 3.960 -0.041 0.000 0.282 422 G HA3 0.506 4.441 3.960 -0.041 0.000 0.282 422 G C -0.506 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.342 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.075 115.581 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.936 4.350 -0.041 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 1.766 70.671 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.631 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.494 3.960 -0.041 0.000 0.308 424 G HA3 0.559 4.494 3.960 -0.041 0.000 0.308 424 G C -0.221 174.811 174.900 0.220 0.000 1.369 424 G CA -0.750 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 2.210 116.835 114.554 0.119 0.000 2.882 425 T HA 0.571 4.896 4.350 -0.041 0.000 0.287 425 T C -0.243 174.451 174.700 -0.011 0.000 1.014 425 T CA -0.500 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.506 68.868 0.020 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.261 124.458 121.223 -0.044 0.000 2.541 426 L HA 0.555 4.870 4.340 -0.041 0.000 0.266 426 L C -1.293 175.552 176.870 -0.043 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.049 0.000 0.871 426 L CB 1.109 43.122 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.553 120.570 -0.016 0.000 2.359 427 I HA 0.455 4.600 4.170 -0.041 0.000 0.294 427 I C -1.132 175.013 176.117 0.046 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.003 0.000 1.225 427 I CB 1.475 39.472 38.000 -0.006 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.009 127.289 121.223 0.096 0.000 2.376 428 L HA 0.505 4.820 4.340 -0.041 0.000 0.275 428 L C -0.846 176.140 176.870 0.193 0.000 0.987 428 L CA -0.759 54.167 54.840 0.144 0.000 0.828 428 L CB 1.448 43.608 42.059 0.168 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.264 119.070 0.074 0.000 3.145 429 H HA 0.275 4.806 4.556 -0.041 0.000 0.263 429 H C -0.554 174.812 175.328 0.064 0.000 1.057 429 H CA 0.215 56.303 56.048 0.067 0.000 1.477 429 H CB 0.842 30.630 29.762 0.043 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.608 126.748 119.914 0.377 0.000 3.083 430 V HA 0.207 4.303 4.120 -0.041 0.000 0.306 430 V C 0.847 177.086 176.094 0.242 0.000 1.077 430 V CA -0.555 61.880 62.300 0.226 0.000 1.073 430 V CB 1.496 33.411 31.823 0.153 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.854 122.127 121.223 0.083 0.000 2.283 431 L HA 0.584 4.899 4.340 -0.041 0.000 0.259 431 L C -0.981 175.900 176.870 0.020 0.000 1.027 431 L CA -0.683 54.178 54.840 0.035 0.000 0.828 431 L CB 2.372 44.405 42.059 -0.043 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.131 120.538 120.400 0.013 0.000 2.163 432 D HA 0.579 5.194 4.640 -0.041 0.000 0.248 432 D C -1.218 175.075 176.300 -0.011 0.000 1.035 432 D CA -0.116 53.888 54.000 0.006 0.000 0.872 432 D CB 1.790 42.601 40.800 0.018 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.093 121.999 119.914 -0.014 0.000 2.914 433 V HA 0.481 4.576 4.120 -0.041 0.000 0.314 433 V C -0.160 175.925 176.094 -0.015 0.000 1.084 433 V CA -1.246 61.041 62.300 -0.021 0.000 0.963 433 V CB 1.755 33.560 31.823 -0.030 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.300 119.990 118.700 -0.017 0.000 2.602 434 N HA 0.260 4.976 4.740 -0.041 0.000 0.238 434 N C 0.093 175.595 175.510 -0.013 0.000 1.084 434 N CA -0.120 52.922 53.050 -0.014 0.000 0.952 434 N CB 0.561 39.036 38.487 -0.019 0.000 1.244 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.228 121.623 120.400 -0.009 0.000 2.119 435 D HA -0.012 4.603 4.640 -0.041 0.000 0.231 435 D C 0.178 176.477 176.300 -0.001 0.000 0.999 435 D CA 0.834 54.829 54.000 -0.009 0.000 0.915 435 D CB -0.129 40.666 40.800 -0.009 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.499 118.700 0.006 0.000 2.207 436 N HA 0.372 5.088 4.740 -0.041 0.000 0.223 436 N C 0.184 175.707 175.510 0.022 0.000 1.339 436 N CA 0.374 53.433 53.050 0.015 0.000 0.889 436 N CB 0.213 38.712 38.487 0.020 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.942 106.879 108.800 0.035 0.000 2.642 437 G HA2 0.531 4.467 3.960 -0.041 0.000 0.293 437 G HA3 0.531 4.467 3.960 -0.041 0.000 0.293 437 G C -2.928 172.024 174.900 0.086 0.000 1.341 437 G CA -1.370 43.762 45.100 0.053 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 -0.598 176.750 177.300 0.079 0.000 1.180 438 P CA 0.162 63.374 63.100 0.188 0.000 0.765 438 P CB 0.988 32.923 31.700 0.392 0.000 0.806 439 V N 3.475 123.407 119.914 0.029 0.000 2.891 439 V HA 0.287 4.382 4.120 -0.041 0.000 0.304 439 V C -2.537 173.540 176.094 -0.029 0.000 1.171 439 V CA -1.920 60.381 62.300 0.002 0.000 0.943 439 V CB 2.312 34.139 31.823 0.007 0.000 1.037 439 V HN 0.395 nan 8.190 nan 0.000 0.427 440 P HA 0.200 nan 4.420 nan 0.000 0.271 440 P C 0.693 177.981 177.300 -0.019 0.000 1.216 440 P CA 0.081 63.164 63.100 -0.029 0.000 0.771 440 P CB 0.876 32.567 31.700 -0.014 0.000 0.864 441 S N 4.543 120.231 115.700 -0.019 0.000 2.343 441 S HA 0.025 4.470 4.470 -0.041 0.000 0.212 441 S C -1.290 173.314 174.600 0.006 0.000 1.033 441 S CA 0.660 58.853 58.200 -0.011 0.000 1.004 441 S CB -2.426 60.762 63.200 -0.019 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.468 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.875 177.300 0.070 0.000 1.253 442 P CA -0.490 62.647 63.100 0.062 0.000 0.800 442 P CB 1.042 32.802 31.700 0.099 0.000 0.961 443 R N 0.563 121.060 120.500 -0.006 0.000 2.365 443 R HA 0.288 4.603 4.340 -0.041 0.000 0.223 443 R C -0.316 175.833 176.300 -0.252 0.000 0.899 443 R CA 0.106 56.140 56.100 -0.110 0.000 1.059 443 R CB 0.627 30.864 30.300 -0.105 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.243 121.057 119.914 -0.165 0.000 2.668 444 V HA 0.367 4.462 4.120 -0.041 0.000 0.304 444 V C -0.542 175.554 176.094 0.002 0.000 1.071 444 V CA -0.910 61.236 62.300 -0.256 0.000 0.894 444 V CB 1.836 33.566 31.823 -0.155 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.255 121.135 119.950 -0.116 0.000 2.452 445 F HA 0.721 5.224 4.527 -0.041 0.000 0.353 445 F C 0.637 176.395 175.800 -0.071 0.000 1.089 445 F CA -0.939 57.006 58.000 -0.092 0.000 1.080 445 F CB 1.676 40.612 39.000 -0.107 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.778 116.458 114.554 0.209 0.000 3.233 446 T HA 0.230 4.556 4.350 -0.041 0.000 0.324 446 T C -0.392 174.368 174.700 0.100 0.000 0.992 446 T CA -0.535 61.627 62.100 0.104 0.000 1.414 446 T CB 0.311 69.217 68.868 0.062 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.138 120.814 119.600 0.127 0.000 2.197 447 M HA 0.453 4.908 4.480 -0.041 0.000 0.305 447 M C 0.389 176.744 176.300 0.091 0.000 1.162 447 M CA -0.283 55.088 55.300 0.118 0.000 1.099 447 M CB 0.999 33.713 32.600 0.190 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.253 118.899 118.600 0.076 0.000 2.451 448 c HA 0.285 4.831 4.570 -0.041 0.000 0.391 448 c C 1.450 175.580 174.090 0.066 0.000 1.286 448 c CA -0.322 56.044 56.329 0.060 0.000 1.935 448 c CB 1.551 44.085 42.510 0.039 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.376 120.054 120.400 0.050 0.000 2.306 449 D HA 0.067 4.683 4.640 -0.041 0.000 0.239 449 D C 2.230 178.547 176.300 0.029 0.000 1.105 449 D CA 1.924 55.950 54.000 0.044 0.000 0.950 449 D CB -0.768 40.053 40.800 0.036 0.000 1.036 449 D HN 0.640 nan 8.370 nan 0.000 0.428 450 Q N 0.005 119.817 119.800 0.020 0.000 2.047 450 Q HA -0.174 4.142 4.340 -0.041 0.000 0.211 450 Q C 0.743 176.750 176.000 0.010 0.000 1.005 450 Q CA 2.362 58.172 55.803 0.012 0.000 0.866 450 Q CB -0.963 27.780 28.738 0.010 0.000 0.938 450 Q HN 0.554 nan 8.270 nan 0.000 0.414 451 N N -0.288 118.420 118.700 0.014 0.000 2.751 451 N HA 0.350 5.065 4.740 -0.041 0.000 0.234 451 N C -3.215 172.305 175.510 0.017 0.000 1.403 451 N CA -1.063 51.994 53.050 0.012 0.000 0.747 451 N CB 2.086 40.577 38.487 0.006 0.000 1.326 451 N HN 0.254 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.077 177.300 0.022 0.000 1.193 452 P CA 0.127 63.248 63.100 0.035 0.000 0.765 452 P CB 0.489 32.230 31.700 0.067 0.000 0.823 453 E N 4.277 124.481 120.200 0.007 0.000 2.318 453 E HA 0.435 4.760 4.350 -0.041 0.000 0.265 453 E C -2.318 174.271 176.600 -0.019 0.000 1.069 453 E CA -2.571 53.826 56.400 -0.005 0.000 0.893 453 E CB -0.477 29.215 29.700 -0.012 0.000 1.076 453 E HN 0.245 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.152 177.300 -0.110 0.000 1.158 454 P CA 0.458 63.531 63.100 -0.044 0.000 0.758 454 P CB 0.295 31.974 31.700 -0.035 0.000 0.763 455 Q N 3.617 123.303 119.800 -0.191 0.000 2.377 455 Q HA 0.240 4.556 4.340 -0.041 0.000 0.249 455 Q C -0.867 174.931 176.000 -0.337 0.000 1.005 455 Q CA -0.380 55.191 55.803 -0.388 0.000 0.912 455 Q CB 0.057 28.299 28.738 -0.827 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.319 125.095 119.914 -0.230 0.000 2.655 456 V HA 0.214 4.309 4.120 -0.041 0.000 0.300 456 V C 0.074 176.067 176.094 -0.168 0.000 1.044 456 V CA -0.132 62.073 62.300 -0.158 0.000 1.095 456 V CB 0.408 32.169 31.823 -0.103 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.440 125.592 121.223 -0.118 0.000 2.465 457 L HA 0.852 5.167 4.340 -0.041 0.000 0.257 457 L C -0.052 176.775 176.870 -0.071 0.000 0.988 457 L CA 0.112 54.906 54.840 -0.076 0.000 0.827 457 L CB 2.720 44.747 42.059 -0.054 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.003 114.518 114.554 -0.066 0.000 2.742 458 T HA 0.809 5.135 4.350 -0.041 0.000 0.282 458 T C -0.888 173.739 174.700 -0.121 0.000 1.025 458 T CA -0.675 61.369 62.100 -0.093 0.000 1.020 458 T CB 1.420 70.243 68.868 -0.075 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.464 121.928 120.570 -0.177 0.000 2.689 459 I HA 0.670 4.815 4.170 -0.041 0.000 0.299 459 I C -0.407 175.628 176.117 -0.136 0.000 1.059 459 I CA -0.523 60.640 61.300 -0.227 0.000 1.055 459 I CB 2.538 40.203 38.000 -0.559 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.543 118.208 115.700 -0.057 0.000 2.548 460 S HA 0.666 5.111 4.470 -0.041 0.000 0.276 460 S C -1.551 173.087 174.600 0.063 0.000 1.129 460 S CA -0.872 57.334 58.200 0.011 0.000 0.931 460 S CB 2.119 65.320 63.200 0.002 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.034 121.489 120.400 0.091 0.000 2.481 461 D HA 0.611 5.226 4.640 -0.041 0.000 0.244 461 D C 0.620 176.955 176.300 0.057 0.000 1.057 461 D CA -0.593 53.463 54.000 0.092 0.000 0.848 461 D CB 2.249 43.125 40.800 0.126 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.945 125.791 122.820 0.043 0.000 2.208 462 A HA 0.032 4.327 4.320 -0.041 0.000 0.209 462 A C 0.702 178.304 177.584 0.031 0.000 1.161 462 A CA 0.448 52.505 52.037 0.033 0.000 0.782 462 A CB 0.155 19.171 19.000 0.026 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -1.187 119.231 120.400 0.031 0.000 2.383 463 D HA 0.462 5.077 4.640 -0.041 0.000 0.248 463 D C 0.205 176.522 176.300 0.027 0.000 1.170 463 D CA 0.672 54.686 54.000 0.024 0.000 0.977 463 D CB 0.968 41.777 40.800 0.014 0.000 1.120 463 D HN 0.234 nan 8.370 nan 0.000 0.481 464 I N -0.295 120.288 120.570 0.023 0.000 2.498 464 I HA 0.405 4.550 4.170 -0.041 0.000 0.301 464 I C -2.224 173.903 176.117 0.017 0.000 0.984 464 I CA -2.285 59.030 61.300 0.025 0.000 1.204 464 I CB 0.784 38.803 38.000 0.031 0.000 1.362 464 I HN 0.197 nan 8.210 nan 0.000 0.471 465 P HA 0.226 nan 4.420 nan 0.000 0.267 465 P C -1.815 175.487 177.300 0.003 0.000 1.200 465 P CA -0.278 62.828 63.100 0.010 0.000 0.772 465 P CB 0.154 31.863 31.700 0.015 0.000 0.855 466 P HA -0.041 nan 4.420 nan 0.000 0.220 466 P C 0.626 177.908 177.300 -0.031 0.000 1.152 466 P CA 1.115 64.205 63.100 -0.017 0.000 0.812 466 P CB -0.366 31.321 31.700 -0.021 0.000 0.792 467 N N -0.794 117.889 118.700 -0.028 0.000 2.653 467 N HA -0.182 4.533 4.740 -0.041 0.000 0.207 467 N C 0.657 176.138 175.510 -0.050 0.000 1.074 467 N CA 1.521 54.549 53.050 -0.036 0.000 0.951 467 N CB -0.345 38.131 38.487 -0.018 0.000 0.956 467 N HN 0.349 nan 8.380 nan 0.000 0.457 468 T N -6.443 108.083 114.554 -0.047 0.000 3.209 468 T HA 0.153 4.478 4.350 -0.041 0.000 0.295 468 T C 0.575 175.218 174.700 -0.096 0.000 0.977 468 T CA -0.494 61.579 62.100 -0.045 0.000 0.922 468 T CB -0.861 68.042 68.868 0.058 0.000 1.152 468 T HN 0.253 nan 8.240 nan 0.000 0.527 469 Y N 1.493 121.725 120.300 -0.113 0.000 2.452 469 Y HA 0.479 5.005 4.550 -0.041 0.000 0.355 469 Y C -1.952 173.796 175.900 -0.252 0.000 1.266 469 Y CA -1.747 56.293 58.100 -0.099 0.000 1.514 469 Y CB -1.543 36.869 38.460 -0.081 0.000 1.363 469 Y HN 0.201 nan 8.280 nan 0.000 0.677 470 P HA -0.074 nan 4.420 nan 0.000 0.270 470 P C -1.053 176.035 177.300 -0.353 0.000 1.181 470 P CA 1.201 64.244 63.100 -0.096 0.000 0.767 470 P CB 0.053 31.764 31.700 0.019 0.000 0.799 471 Y N -0.101 120.204 120.300 0.008 0.000 2.518 471 Y HA 0.672 5.197 4.550 -0.041 0.000 0.332 471 Y C 1.075 176.982 175.900 0.012 0.000 1.276 471 Y CA -0.253 57.853 58.100 0.010 0.000 1.418 471 Y CB 0.601 39.067 38.460 0.011 0.000 1.527 471 Y HN 0.155 nan 8.280 nan 0.000 0.549 472 K N -0.182 120.345 120.400 0.212 0.000 2.690 472 K HA 0.634 4.929 4.320 -0.041 0.000 0.264 472 K C -1.837 174.841 176.600 0.129 0.000 1.040 472 K CA -0.584 55.776 56.287 0.121 0.000 0.946 472 K CB 0.334 32.872 32.500 0.065 0.000 1.268 472 K HN 0.487 nan 8.250 nan 0.000 0.473 473 V N 1.646 121.624 119.914 0.106 0.000 2.649 473 V HA 0.748 4.843 4.120 -0.041 0.000 0.292 473 V C 0.427 176.565 176.094 0.073 0.000 1.055 473 V CA -0.501 61.848 62.300 0.083 0.000 1.023 473 V CB 1.491 33.350 31.823 0.061 0.000 0.992 473 V HN 0.902 nan 8.190 nan 0.000 0.480 474 S N 4.349 120.092 115.700 0.072 0.000 2.546 474 S HA 0.655 5.100 4.470 -0.041 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 1.512 64.750 63.200 0.064 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.354 123.635 121.223 0.097 0.000 2.318 475 L HA 0.468 4.783 4.340 -0.041 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.355 54.561 54.840 0.126 0.000 0.846 475 L CB 1.573 43.723 42.059 0.153 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 4.276 4.470 -0.041 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.217 59.467 58.200 0.084 0.000 1.258 476 S CB -0.044 63.157 63.200 0.003 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.633 118.377 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.673 4.556 -0.041 0.000 0.307 477 H C 1.286 176.662 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.061 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 -0.163 108.803 108.800 0.277 0.000 3.008 478 G HA2 0.203 4.138 3.960 -0.041 0.000 0.272 478 G HA3 0.203 4.138 3.960 -0.041 0.000 0.272 478 G C 0.714 175.784 174.900 0.283 0.000 0.764 478 G CA 0.504 45.764 45.100 0.268 0.000 2.029 478 G HN 0.538 nan 8.290 nan 0.000 0.587 479 S N 0.479 116.288 115.700 0.182 0.000 2.575 479 S HA 0.300 4.746 4.470 -0.041 0.000 0.215 479 S C 0.699 175.390 174.600 0.151 0.000 0.966 479 S CA 0.029 58.331 58.200 0.171 0.000 0.911 479 S CB 0.418 63.686 63.200 0.113 0.000 0.780 479 S HN 0.308 nan 8.310 nan 0.000 0.514 480 D N -0.313 120.166 120.400 0.133 0.000 2.491 480 D HA 0.339 4.954 4.640 -0.041 0.000 0.232 480 D C -0.838 175.475 176.300 0.022 0.000 1.334 480 D CA -0.206 53.828 54.000 0.057 0.000 0.909 480 D CB 0.808 41.619 40.800 0.018 0.000 1.513 480 D HN 0.085 nan 8.370 nan 0.000 0.514 481 L N 0.980 122.201 121.223 -0.003 0.000 3.635 481 L HA 0.219 4.534 4.340 -0.041 0.000 0.338 481 L C -0.577 176.080 176.870 -0.355 0.000 1.275 481 L CA 0.351 55.151 54.840 -0.068 0.000 1.092 481 L CB 0.412 42.556 42.059 0.141 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.345 114.033 114.554 -0.293 0.000 1.377 482 T HA -0.206 4.119 4.350 -0.041 0.000 0.677 482 T C -0.987 173.269 174.700 -0.741 0.000 0.963 482 T CA 1.333 63.191 62.100 -0.404 0.000 3.590 482 T CB -1.171 67.455 68.868 -0.403 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 0.358 121.704 121.300 0.076 0.000 3.624 483 W HA 0.562 5.197 4.660 -0.041 0.000 0.312 483 W C -0.330 176.229 176.519 0.066 0.000 1.203 483 W CA -0.880 56.518 57.345 0.089 0.000 1.225 483 W CB 1.323 30.854 29.460 0.119 0.000 1.321 483 W HN 0.757 nan 8.180 nan 0.000 0.506 484 K N 1.412 122.012 120.400 0.335 0.000 2.541 484 K HA 0.880 5.175 4.320 -0.041 0.000 0.250 484 K C -0.456 176.239 176.600 0.158 0.000 0.950 484 K CA -0.385 56.017 56.287 0.192 0.000 0.805 484 K CB 1.348 33.919 32.500 0.119 0.000 1.166 484 K HN 0.899 nan 8.250 nan 0.000 0.430 485 A N 1.008 123.901 122.820 0.123 0.000 2.407 485 A HA 0.728 5.024 4.320 -0.041 0.000 0.248 485 A C 0.537 178.155 177.584 0.056 0.000 1.082 485 A CA 0.682 52.769 52.037 0.083 0.000 0.785 485 A CB -0.099 18.948 19.000 0.079 0.000 1.020 485 A HN 1.938 nan 8.150 nan 0.000 0.489 486 E N 0.779 121.000 120.200 0.036 0.000 2.388 486 E HA 0.561 4.886 4.350 -0.041 0.000 0.282 486 E C -1.594 175.011 176.600 0.007 0.000 1.026 486 E CA -0.593 55.821 56.400 0.024 0.000 0.820 486 E CB 0.506 30.219 29.700 0.022 0.000 1.226 486 E HN 0.857 nan 8.360 nan 0.000 0.432 487 L N 1.283 122.512 121.223 0.011 0.000 2.331 487 L HA 0.746 5.062 4.340 -0.041 0.000 0.275 487 L C 0.894 177.763 176.870 -0.000 0.000 1.022 487 L CA -0.706 54.135 54.840 0.002 0.000 0.812 487 L CB 1.813 43.885 42.059 0.021 0.000 1.257 487 L HN 1.003 nan 8.230 nan 0.000 0.435 488 D N 0.759 121.153 120.400 -0.011 0.000 2.362 488 D HA 0.474 5.090 4.640 -0.041 0.000 0.242 488 D C 1.087 177.389 176.300 0.003 0.000 1.132 488 D CA 0.347 54.342 54.000 -0.009 0.000 0.907 488 D CB 1.104 41.892 40.800 -0.019 0.000 1.195 488 D HN 0.890 nan 8.370 nan 0.000 0.429 489 S N -0.444 115.259 115.700 0.005 0.000 2.345 489 S HA 0.226 4.672 4.470 -0.041 0.000 0.220 489 S C 2.048 176.656 174.600 0.014 0.000 1.031 489 S CA 2.140 60.346 58.200 0.011 0.000 0.996 489 S CB -0.638 62.567 63.200 0.008 0.000 0.882 489 S HN 1.211 nan 8.310 nan 0.000 0.445 490 K N 1.581 121.987 120.400 0.010 0.000 3.358 490 K HA 0.512 4.807 4.320 -0.041 0.000 0.297 490 K C 1.763 178.373 176.600 0.017 0.000 1.064 490 K CA 0.883 57.177 56.287 0.013 0.000 1.144 490 K CB -2.019 30.485 32.500 0.008 0.000 1.289 490 K HN 1.599 nan 8.250 nan 0.000 0.372 491 G N -0.004 108.811 108.800 0.026 0.000 5.260 491 G HA2 -0.476 3.459 3.960 -0.041 0.000 0.276 491 G HA3 -0.476 3.459 3.960 -0.041 0.000 0.276 491 G C 1.797 176.701 174.900 0.006 0.000 1.357 491 G CA 1.803 46.928 45.100 0.041 0.000 1.008 491 G HN 1.227 nan 8.290 nan 0.000 0.777 492 T N 1.013 115.558 114.554 -0.015 0.000 2.685 492 T HA 0.181 4.506 4.350 -0.041 0.000 0.268 492 T C 1.592 176.219 174.700 -0.121 0.000 1.034 492 T CA 2.867 64.922 62.100 -0.076 0.000 1.149 492 T CB -0.859 67.981 68.868 -0.047 0.000 0.860 492 T HN 1.969 nan 8.240 nan 0.000 0.449 493 S N 0.541 116.192 115.700 -0.081 0.000 2.713 493 S HA 0.759 5.204 4.470 -0.041 0.000 0.283 493 S C -0.065 174.487 174.600 -0.079 0.000 1.161 493 S CA -0.763 57.386 58.200 -0.086 0.000 0.999 493 S CB 0.620 63.782 63.200 -0.063 0.000 1.039 493 S HN 0.702 nan 8.310 nan 0.000 0.548 494 M N 0.647 120.202 119.600 -0.076 0.000 2.457 494 M HA 0.700 5.155 4.480 -0.041 0.000 0.300 494 M C -1.856 174.413 176.300 -0.051 0.000 1.141 494 M CA -0.602 54.665 55.300 -0.055 0.000 0.901 494 M CB 1.132 33.699 32.600 -0.054 0.000 1.687 494 M HN 0.370 nan 8.290 nan 0.000 0.449 495 L N 3.786 124.991 121.223 -0.031 0.000 2.255 495 L HA 0.500 4.815 4.340 -0.041 0.000 0.289 495 L C -1.041 175.825 176.870 -0.008 0.000 1.046 495 L CA -0.717 54.105 54.840 -0.030 0.000 0.816 495 L CB 1.087 43.138 42.059 -0.013 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.406 124.607 121.223 -0.037 0.000 2.265 496 L HA 0.506 4.822 4.340 -0.041 0.000 0.289 496 L C -0.343 176.585 176.870 0.097 0.000 1.033 496 L CA 0.512 55.362 54.840 0.017 0.000 0.814 496 L CB 1.314 43.326 42.059 -0.078 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.482 121.313 115.700 0.217 0.000 2.548 497 S HA 0.630 5.075 4.470 -0.041 0.000 0.276 497 S C -2.568 172.210 174.600 0.297 0.000 1.129 497 S CA -0.883 57.460 58.200 0.238 0.000 0.931 497 S CB 2.047 65.312 63.200 0.108 0.000 1.068 497 S HN 0.336 nan 8.310 nan 0.000 0.480 498 P HA 0.279 nan 4.420 nan 0.000 0.300 498 P C 0.642 177.877 177.300 -0.110 0.000 1.294 498 P CA 0.159 63.128 63.100 -0.217 0.000 0.757 498 P CB 0.438 31.897 31.700 -0.402 0.000 1.377 499 T N -5.159 109.284 114.554 -0.184 0.000 3.416 499 T HA 0.266 4.592 4.350 -0.041 0.000 0.298 499 T C -0.192 174.434 174.700 -0.125 0.000 0.874 499 T CA 0.413 62.450 62.100 -0.105 0.000 0.901 499 T CB -0.820 68.013 68.868 -0.058 0.000 1.215 499 T HN 0.435 nan 8.240 nan 0.000 0.677 500 Q N 0.324 120.012 119.800 -0.187 0.000 2.399 500 Q HA 0.654 4.969 4.340 -0.041 0.000 0.276 500 Q C 0.117 176.028 176.000 -0.148 0.000 1.098 500 Q CA -0.540 55.165 55.803 -0.163 0.000 0.827 500 Q CB 1.097 29.714 28.738 -0.202 0.000 1.386 500 Q HN 0.457 nan 8.270 nan 0.000 0.443 501 Q N 0.415 120.152 119.800 -0.105 0.000 2.282 501 Q HA 0.391 4.706 4.340 -0.041 0.000 0.205 501 Q C 0.796 176.753 176.000 -0.071 0.000 0.915 501 Q CA 0.404 56.163 55.803 -0.073 0.000 0.949 501 Q CB -1.091 27.617 28.738 -0.049 0.000 1.035 501 Q HN 1.018 nan 8.270 nan 0.000 0.484 502 L N 0.590 121.743 121.223 -0.116 0.000 2.587 502 L HA 0.080 4.395 4.340 -0.041 0.000 0.315 502 L C 1.014 177.858 176.870 -0.043 0.000 1.288 502 L CA 1.280 56.048 54.840 -0.121 0.000 0.849 502 L CB -1.702 40.215 42.059 -0.237 0.000 1.080 502 L HN 0.532 nan 8.230 nan 0.000 0.541 503 K N 1.870 122.229 120.400 -0.068 0.000 2.505 503 K HA 0.479 4.774 4.320 -0.041 0.000 0.272 503 K C 1.117 177.771 176.600 0.090 0.000 0.963 503 K CA 0.664 56.944 56.287 -0.011 0.000 0.932 503 K CB -1.000 31.464 32.500 -0.060 0.000 0.924 503 K HN 2.462 nan 8.250 nan 0.000 0.520 504 K N 1.035 121.478 120.400 0.073 0.000 2.021 504 K HA 0.479 4.774 4.320 -0.041 0.000 0.238 504 K C 1.232 177.909 176.600 0.128 0.000 1.149 504 K CA 0.710 57.052 56.287 0.092 0.000 1.105 504 K CB -1.498 31.035 32.500 0.054 0.000 1.246 504 K HN 2.431 nan 8.250 nan 0.000 0.307 505 G N 0.044 108.960 108.800 0.194 0.000 2.888 505 G HA2 0.335 4.270 3.960 -0.041 0.000 0.441 505 G HA3 0.335 4.270 3.960 -0.041 0.000 0.441 505 G C 0.474 175.523 174.900 0.248 0.000 1.461 505 G CA 0.402 45.615 45.100 0.188 0.000 0.897 505 G HN 2.358 nan 8.290 nan 0.000 0.547 506 D N -1.360 119.114 120.400 0.124 0.000 3.478 506 D HA 0.379 4.995 4.640 -0.041 0.000 0.219 506 D C 0.265 176.683 176.300 0.197 0.000 1.143 506 D CA 2.330 56.379 54.000 0.081 0.000 1.047 506 D CB -1.448 39.388 40.800 0.060 0.000 0.820 506 D HN 2.343 nan 8.370 nan 0.000 0.393 507 Y N -1.832 118.466 120.300 -0.004 0.000 2.522 507 Y HA 0.580 5.105 4.550 -0.041 0.000 0.326 507 Y C 0.169 176.033 175.900 -0.061 0.000 1.198 507 Y CA -0.771 57.331 58.100 0.003 0.000 1.112 507 Y CB 0.319 38.829 38.460 0.083 0.000 1.342 507 Y HN 0.762 nan 8.280 nan 0.000 0.460 508 S N 4.090 119.771 115.700 -0.032 0.000 2.686 508 S HA 0.771 5.216 4.470 -0.041 0.000 0.270 508 S C -0.553 173.931 174.600 -0.193 0.000 1.194 508 S CA -0.514 57.537 58.200 -0.248 0.000 0.990 508 S CB 1.934 64.928 63.200 -0.343 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.404 120.737 120.570 -0.395 0.000 2.534 509 I HA 0.394 4.539 4.170 -0.041 0.000 0.286 509 I C -1.969 173.990 176.117 -0.263 0.000 1.094 509 I CA -0.995 60.080 61.300 -0.376 0.000 1.055 509 I CB 1.016 38.556 38.000 -0.766 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.379 126.650 120.300 -0.049 0.000 2.436 510 Y HA 0.349 4.875 4.550 -0.041 0.000 0.336 510 Y C 0.356 176.246 175.900 -0.018 0.000 1.049 510 Y CA 0.024 58.114 58.100 -0.017 0.000 1.294 510 Y CB 1.003 39.487 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.015 124.992 119.914 0.105 0.000 2.850 511 V HA 0.580 4.675 4.120 -0.041 0.000 0.315 511 V C -0.721 175.422 176.094 0.082 0.000 1.064 511 V CA -1.013 61.326 62.300 0.065 0.000 0.979 511 V CB 1.870 33.700 31.823 0.012 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 0.070 0.000 2.639 512 L HA 0.646 4.961 4.340 -0.041 0.000 0.264 512 L C -1.383 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.050 43.148 42.059 0.066 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.882 121.223 0.085 0.000 2.293 513 L HA 0.938 5.253 4.340 -0.041 0.000 0.264 513 L C -0.134 176.808 176.870 0.120 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.074 44.241 42.059 0.181 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.445 115.700 0.155 0.000 2.565 514 S HA 0.266 4.712 4.470 -0.041 0.000 0.274 514 S C -0.977 173.563 174.600 -0.099 0.000 1.144 514 S CA -0.660 57.566 58.200 0.043 0.000 0.849 514 S CB 2.027 65.238 63.200 0.018 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.598 119.693 120.400 -0.182 0.000 2.449 515 D HA 0.408 5.023 4.640 -0.041 0.000 0.255 515 D C 0.827 176.986 176.300 -0.235 0.000 1.121 515 D CA 0.414 54.186 54.000 -0.381 0.000 0.830 515 D CB 0.059 40.637 40.800 -0.370 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.639 122.820 -0.132 0.000 2.295 516 A HA 0.512 4.808 4.320 -0.041 0.000 0.193 516 A C 1.303 178.848 177.584 -0.066 0.000 1.512 516 A CA 1.029 53.014 52.037 -0.088 0.000 1.103 516 A CB 0.723 19.684 19.000 -0.065 0.000 1.331 516 A HN 0.054 nan 8.150 nan 0.000 0.501 517 Q N -2.934 116.826 119.800 -0.065 0.000 7.952 517 Q HA -0.107 4.209 4.340 -0.041 0.000 0.369 517 Q C 0.539 176.524 176.000 -0.026 0.000 0.943 517 Q CA 0.932 56.713 55.803 -0.038 0.000 0.540 517 Q CB -0.755 27.969 28.738 -0.024 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.339 119.026 118.700 -0.022 0.000 2.677 518 N HA -0.406 4.309 4.740 -0.041 0.000 0.230 518 N C 0.468 175.980 175.510 0.004 0.000 1.021 518 N CA 4.063 57.107 53.050 -0.010 0.000 1.156 518 N CB -1.456 37.026 38.487 -0.010 0.000 1.117 518 N HN 0.962 nan 8.380 nan 0.000 0.614 519 N N -3.680 115.026 118.700 0.010 0.000 2.936 519 N HA -0.197 4.518 4.740 -0.041 0.000 0.236 519 N C -1.985 173.546 175.510 0.035 0.000 0.930 519 N CA 1.091 54.155 53.050 0.023 0.000 0.966 519 N CB -2.604 35.891 38.487 0.013 0.000 1.090 519 N HN 0.494 nan 8.380 nan 0.000 0.592 520 P HA 0.042 nan 4.420 nan 0.000 0.263 520 P C -0.077 177.254 177.300 0.052 0.000 1.175 520 P CA 0.557 63.685 63.100 0.046 0.000 0.761 520 P CB 0.350 32.077 31.700 0.045 0.000 0.794 521 Q N 2.622 122.447 119.800 0.042 0.000 2.286 521 Q HA 0.150 4.466 4.340 -0.041 0.000 0.265 521 Q C 0.217 176.245 176.000 0.047 0.000 1.080 521 Q CA 0.292 56.121 55.803 0.043 0.000 0.906 521 Q CB 0.486 29.243 28.738 0.032 0.000 1.227 521 Q HN 0.503 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.375 121.223 0.057 0.000 2.756 522 L HA 0.537 4.853 4.340 -0.041 0.000 0.220 522 L C 0.320 177.227 176.870 0.061 0.000 1.797 522 L CA -0.131 54.735 54.840 0.043 0.000 2.814 522 L CB 1.851 43.925 42.059 0.025 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.539 113.036 114.554 0.034 0.000 2.640 523 T HA 0.244 4.570 4.350 -0.041 0.000 0.268 523 T C -1.629 173.023 174.700 -0.080 0.000 1.406 523 T CA 0.064 62.184 62.100 0.033 0.000 1.078 523 T CB 0.489 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 1.488 121.291 119.914 -0.185 0.000 2.530 524 V HA 0.791 4.887 4.120 -0.041 0.000 0.282 524 V C -0.485 175.445 176.094 -0.273 0.000 1.048 524 V CA -0.419 61.684 62.300 -0.329 0.000 0.997 524 V CB 0.875 32.485 31.823 -0.356 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.875 124.574 119.914 -0.358 0.000 2.454 525 V HA 0.342 4.437 4.120 -0.041 0.000 0.267 525 V C 0.020 175.707 176.094 -0.678 0.000 0.993 525 V CA -0.652 61.389 62.300 -0.432 0.000 0.836 525 V CB 0.709 32.348 31.823 -0.308 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.502 120.862 118.700 -0.566 0.000 2.237 526 N HA 0.365 5.081 4.740 -0.041 0.000 0.222 526 N C 0.156 175.180 175.510 -0.810 0.000 1.311 526 N CA 0.519 53.230 53.050 -0.566 0.000 0.880 526 N CB 0.638 38.900 38.487 -0.374 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.224 122.640 122.820 -0.674 0.000 2.499 527 A HA 0.401 4.696 4.320 -0.041 0.000 0.280 527 A C -0.627 176.723 177.584 -0.389 0.000 1.135 527 A CA -0.703 50.963 52.037 -0.618 0.000 0.744 527 A CB 0.454 19.063 19.000 -0.652 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.155 114.554 -0.181 0.000 2.727 528 T HA 0.458 4.784 4.350 -0.041 0.000 0.298 528 T C 0.138 174.849 174.700 0.019 0.000 0.942 528 T CA 0.011 62.072 62.100 -0.065 0.000 0.997 528 T CB 0.337 69.181 68.868 -0.040 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.650 123.602 119.914 0.064 0.000 2.630 529 V HA 0.710 4.806 4.120 -0.041 0.000 0.305 529 V C 0.344 176.491 176.094 0.088 0.000 1.046 529 V CA -0.952 61.415 62.300 0.111 0.000 0.934 529 V CB 1.313 33.255 31.823 0.200 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.812 119.456 118.600 0.074 0.000 2.985 530 c HA 0.674 5.220 4.570 -0.041 0.000 0.332 530 c C 0.141 174.260 174.090 0.048 0.000 1.164 530 c CA -0.908 55.453 56.329 0.054 0.000 1.347 530 c CB 0.658 43.193 42.510 0.041 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.071 116.794 115.700 0.039 0.000 2.817 531 S HA 0.300 4.745 4.470 -0.041 0.000 0.333 531 S C 0.207 174.824 174.600 0.028 0.000 1.227 531 S CA 0.809 59.028 58.200 0.032 0.000 1.027 531 S CB -0.450 62.764 63.200 0.024 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.583 121.199 118.600 0.026 0.000 3.271 532 c HA 0.442 4.987 4.570 -0.041 0.000 0.353 532 c C 0.661 174.762 174.090 0.018 0.000 1.510 532 c CA -0.478 55.864 56.329 0.022 0.000 1.149 532 c CB 0.827 43.354 42.510 0.028 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.224 119.986 120.200 0.016 0.000 2.694 533 E HA 0.453 4.778 4.350 -0.041 0.000 0.224 533 E C 1.009 177.617 176.600 0.013 0.000 1.068 533 E CA 1.418 57.825 56.400 0.012 0.000 1.043 533 E CB 0.148 29.854 29.700 0.009 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.321 108.486 108.800 0.011 0.000 3.531 534 G HA2 0.195 4.131 3.960 -0.041 0.000 0.212 534 G HA3 0.195 4.131 3.960 -0.041 0.000 0.212 534 G C -0.260 174.645 174.900 0.008 0.000 1.146 534 G CA -0.291 44.815 45.100 0.010 0.000 0.916 534 G HN -0.031 nan 8.290 nan 0.000 0.637 535 K N 1.381 121.785 120.400 0.007 0.000 2.185 535 K HA 0.623 4.918 4.320 -0.041 0.000 0.269 535 K C 0.112 176.715 176.600 0.005 0.000 0.987 535 K CA -0.613 55.675 56.287 0.002 0.000 0.865 535 K CB 2.138 34.638 32.500 -0.000 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.716 127.534 122.820 -0.002 0.000 2.532 536 A HA -0.048 4.247 4.320 -0.041 0.000 0.269 536 A C 0.030 177.618 177.584 0.006 0.000 1.079 536 A CA 0.461 52.498 52.037 -0.000 0.000 0.800 536 A CB -0.709 18.278 19.000 -0.021 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.769 122.349 120.570 0.016 0.000 2.822 537 I HA 0.639 4.785 4.170 -0.041 0.000 0.312 537 I C 0.781 176.909 176.117 0.018 0.000 1.011 537 I CA -0.706 60.603 61.300 0.015 0.000 1.105 537 I CB 1.504 39.514 38.000 0.016 0.000 1.291 537 I HN 0.653 nan 8.210 nan 0.000 0.474 538 K N 3.677 124.085 120.400 0.014 0.000 2.401 538 K HA 0.204 4.500 4.320 -0.041 0.000 0.278 538 K C -0.254 176.356 176.600 0.016 0.000 1.018 538 K CA -0.229 56.066 56.287 0.013 0.000 0.981 538 K CB 0.032 32.538 32.500 0.009 0.000 0.933 538 K HN 0.785 nan 8.250 nan 0.000 0.477 539 c N 0.969 119.579 118.600 0.017 0.000 2.369 539 c HA 0.809 5.355 4.570 -0.041 0.000 0.089 539 c C 1.255 175.354 174.090 0.015 0.000 2.614 539 c CA 1.034 57.374 56.329 0.018 0.000 1.724 539 c CB 0.906 43.429 42.510 0.021 0.000 2.453 539 c HN 1.125 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.014 0.000 2.315 540 Q HA 0.000 4.315 4.340 -0.041 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.016 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481