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 2j6l_1_H DATA FIRST_RESID 4 DATA SEQUENCE TLLINQPQYA WLKELGLREE NEGVYNGSWG GRGEVITTYC PANNEPIARV DATA SEQUENCE RQASVADYEE TVKKAREAWK IWADIPAPKR GEIVRQIGDA LREKIQVLGS DATA SEQUENCE LVSLEMGKIL VEGVGEVQEY VDICDYAVGL SRMIGGPILP SERSGHALIE DATA SEQUENCE QWNPVGLVGI ITAFNFPVAV YGWNNAIAMI CGNVCLWKGA PTTSLISVAV DATA SEQUENCE TKIIAKVLED NKLPGAICSL TCGGADIGTA MAKDERVNLL SFTGSTQVGK DATA SEQUENCE QVGLMVQERF GRSLLELGGN NAIIAFEDAD LSLVVPSALF AAVGTAGQRC DATA SEQUENCE TTARRLFIHE SIHDEVVNRL KKAYAQIRVG NPWDPNVLYG PLHTKQAVSM DATA SEQUENCE FLGAVEEAKK EGGTVVYGGK VMDRPGNYVE PTIVTGLGHD ASIAHTETFA DATA SEQUENCE PILYVFKFQN EEEVFAWNNE VKQGLSSSIF TKDLGRIFRW LGPKGSDCGI DATA SEQUENCE VNVNIPTSGA EIGGAFGGEK HTGGGRESGS DAWKQYMRRS TCTINYS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.656 174.700 -0.074 0.000 1.109 4 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 4 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 5 L N 3.493 124.654 121.223 -0.103 0.000 2.455 5 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 5 L C 1.602 178.368 176.870 -0.173 0.000 1.174 5 L CA -0.154 54.589 54.840 -0.161 0.000 0.869 5 L CB 0.469 42.428 42.059 -0.166 0.000 1.130 5 L HN 0.319 nan 8.230 nan 0.000 0.474 6 L N 3.408 124.471 121.223 -0.267 0.000 2.079 6 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 6 L C 2.241 178.931 176.870 -0.301 0.000 1.081 6 L CA 1.403 56.016 54.840 -0.378 0.000 0.752 6 L CB -0.257 41.294 42.059 -0.846 0.000 0.896 6 L HN 0.697 nan 8.230 nan 0.000 0.433 7 I N 0.287 120.671 120.570 -0.310 0.000 2.454 7 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 7 I C 1.719 177.741 176.117 -0.159 0.000 1.156 7 I CA 1.136 62.281 61.300 -0.258 0.000 1.433 7 I CB -0.063 37.780 38.000 -0.261 0.000 1.082 7 I HN 0.340 nan 8.210 nan 0.000 0.432 8 N N 0.986 119.612 118.700 -0.123 0.000 2.398 8 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 8 N C -0.226 175.258 175.510 -0.044 0.000 1.122 8 N CA 0.304 53.305 53.050 -0.082 0.000 0.866 8 N CB 0.130 38.571 38.487 -0.076 0.000 0.970 8 N HN 0.535 nan 8.380 nan 0.000 0.462 9 Q N 0.662 120.456 119.800 -0.009 0.000 2.243 9 Q HA 0.218 4.558 4.340 -0.000 0.000 0.252 9 Q C -1.521 174.486 176.000 0.011 0.000 0.909 9 Q CA -1.807 54.019 55.803 0.039 0.000 0.922 9 Q CB 1.296 30.117 28.738 0.139 0.000 1.215 9 Q HN 0.043 nan 8.270 nan 0.000 0.427 10 P HA -0.228 nan 4.420 nan 0.000 0.220 10 P C 1.060 178.317 177.300 -0.071 0.000 1.148 10 P CA 1.172 64.248 63.100 -0.040 0.000 0.803 10 P CB 0.295 31.978 31.700 -0.029 0.000 0.782 11 Q N -0.607 119.120 119.800 -0.123 0.000 2.234 11 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 11 Q C 0.717 176.482 176.000 -0.393 0.000 0.980 11 Q CA 1.326 56.965 55.803 -0.273 0.000 0.869 11 Q CB -0.272 28.209 28.738 -0.428 0.000 0.912 11 Q HN 0.332 nan 8.270 nan 0.000 0.436 12 Y N -1.484 118.700 120.300 -0.194 0.000 2.658 12 Y HA 0.369 4.919 4.550 -0.000 0.000 0.276 12 Y C 1.534 177.028 175.900 -0.677 0.000 1.167 12 Y CA -0.034 57.718 58.100 -0.579 0.000 1.230 12 Y CB 0.317 38.446 38.460 -0.552 0.000 1.144 12 Y HN 0.166 nan 8.280 nan 0.000 0.529 13 A N 1.348 124.031 122.820 -0.228 0.000 2.024 13 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 13 A C 1.915 179.418 177.584 -0.135 0.000 1.164 13 A CA 1.605 53.550 52.037 -0.152 0.000 0.643 13 A CB -1.011 17.959 19.000 -0.050 0.000 0.806 13 A HN 0.857 nan 8.150 nan 0.000 0.451 14 W N -0.091 121.193 121.300 -0.028 0.000 2.341 14 W HA -0.163 4.497 4.660 -0.000 0.000 0.283 14 W C 1.153 177.657 176.519 -0.026 0.000 1.215 14 W CA 0.867 58.194 57.345 -0.030 0.000 1.211 14 W CB -1.166 28.270 29.460 -0.039 0.000 1.131 14 W HN 0.267 nan 8.180 nan 0.000 0.552 15 L N 1.512 122.428 121.223 -0.512 0.000 2.187 15 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 15 L C 2.670 179.449 176.870 -0.150 0.000 1.100 15 L CA 1.670 56.271 54.840 -0.399 0.000 0.765 15 L CB -0.672 41.017 42.059 -0.617 0.000 0.904 15 L HN -0.060 nan 8.230 nan 0.000 0.437 16 K N -0.004 120.319 120.400 -0.128 0.000 2.211 16 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 16 K C 1.792 178.372 176.600 -0.033 0.000 1.050 16 K CA 1.004 57.241 56.287 -0.084 0.000 0.945 16 K CB -0.090 32.364 32.500 -0.077 0.000 0.732 16 K HN 0.390 nan 8.250 nan 0.000 0.451 17 E N 0.673 120.888 120.200 0.024 0.000 2.333 17 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 17 E C 1.232 177.851 176.600 0.031 0.000 1.007 17 E CA 0.689 57.116 56.400 0.045 0.000 0.845 17 E CB 0.013 29.772 29.700 0.099 0.000 0.766 17 E HN 0.284 nan 8.360 nan 0.000 0.507 18 L N -0.624 120.614 121.223 0.025 0.000 2.628 18 L HA 0.202 4.542 4.340 -0.000 0.000 0.229 18 L C 1.258 178.096 176.870 -0.053 0.000 1.137 18 L CA 0.144 54.989 54.840 0.008 0.000 0.909 18 L CB 0.329 42.411 42.059 0.039 0.000 1.137 18 L HN 0.209 nan 8.230 nan 0.000 0.470 19 G N 0.523 109.277 108.800 -0.076 0.000 2.148 19 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 19 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 19 G C 0.235 175.035 174.900 -0.167 0.000 0.981 19 G CA -0.053 44.970 45.100 -0.129 0.000 0.670 19 G HN 0.246 nan 8.290 nan 0.000 0.528 20 L N -0.410 120.727 121.223 -0.144 0.000 2.395 20 L HA 0.691 5.031 4.340 -0.000 0.000 0.269 20 L C 1.164 177.937 176.870 -0.162 0.000 1.133 20 L CA -0.502 54.240 54.840 -0.164 0.000 0.812 20 L CB 0.865 42.829 42.059 -0.159 0.000 1.125 20 L HN 0.207 nan 8.230 nan 0.000 0.452 21 R N 0.315 120.717 120.500 -0.162 0.000 2.987 21 R HA 0.188 4.528 4.340 -0.000 0.000 0.248 21 R C 0.643 176.857 176.300 -0.144 0.000 1.264 21 R CA -0.823 55.191 56.100 -0.145 0.000 1.026 21 R CB 1.219 31.440 30.300 -0.133 0.000 1.286 21 R HN 0.631 nan 8.270 nan 0.000 0.483 22 E N 0.949 121.072 120.200 -0.128 0.000 2.097 22 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 22 E C -0.244 176.286 176.600 -0.117 0.000 1.000 22 E CA 1.555 57.880 56.400 -0.125 0.000 0.804 22 E CB 0.275 29.913 29.700 -0.103 0.000 0.740 22 E HN 0.402 nan 8.360 nan 0.000 0.454 23 E N 0.108 120.246 120.200 -0.102 0.000 2.246 23 E HA 0.242 4.591 4.350 -0.000 0.000 0.266 23 E C -1.509 175.036 176.600 -0.092 0.000 0.880 23 E CA -0.755 55.592 56.400 -0.088 0.000 0.762 23 E CB 0.972 30.632 29.700 -0.066 0.000 1.180 23 E HN 0.124 nan 8.360 nan 0.000 0.416 24 N N 3.162 121.809 118.700 -0.088 0.000 2.319 24 N HA 0.213 4.953 4.740 -0.000 0.000 0.305 24 N C -1.118 174.371 175.510 -0.035 0.000 1.103 24 N CA -0.715 52.276 53.050 -0.100 0.000 0.815 24 N CB 1.740 40.152 38.487 -0.125 0.000 1.288 24 N HN 0.452 nan 8.380 nan 0.000 0.493 25 E N 0.046 120.241 120.200 -0.008 0.000 2.324 25 E HA 0.233 4.583 4.350 -0.000 0.000 0.271 25 E C 0.901 177.655 176.600 0.256 0.000 1.028 25 E CA -0.002 56.488 56.400 0.150 0.000 0.890 25 E CB 0.583 30.453 29.700 0.284 0.000 1.004 25 E HN 0.764 nan 8.360 nan 0.000 0.431 26 G N 2.172 111.087 108.800 0.192 0.000 3.393 26 G HA2 0.175 4.135 3.960 -0.000 0.000 0.255 26 G HA3 0.175 4.135 3.960 -0.000 0.000 0.255 26 G C -0.337 174.644 174.900 0.135 0.000 1.097 26 G CA -0.181 45.013 45.100 0.157 0.000 0.780 26 G HN 0.324 nan 8.290 nan 0.000 0.540 27 V N 0.754 120.770 119.914 0.169 0.000 2.448 27 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 27 V C -1.305 174.763 176.094 -0.043 0.000 1.025 27 V CA -1.041 61.292 62.300 0.054 0.000 0.859 27 V CB 1.394 33.239 31.823 0.038 0.000 0.988 27 V HN 0.254 nan 8.190 nan 0.000 0.431 28 Y N 5.251 125.302 120.300 -0.415 0.000 2.406 28 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 28 Y C 0.138 175.789 175.900 -0.416 0.000 0.975 28 Y CA -1.128 56.513 58.100 -0.764 0.000 1.056 28 Y CB 2.049 39.666 38.460 -1.405 0.000 1.210 28 Y HN 0.746 nan 8.280 nan 0.000 0.448 29 N N 2.459 120.532 118.700 -1.045 0.000 2.381 29 N HA 0.352 5.092 4.740 -0.000 0.000 0.257 29 N C 0.558 175.575 175.510 -0.821 0.000 1.409 29 N CA 0.134 52.734 53.050 -0.751 0.000 0.836 29 N CB 1.011 39.274 38.487 -0.374 0.000 1.384 29 N HN 0.971 nan 8.380 nan 0.000 0.490 30 G N -0.841 107.078 108.800 -1.469 0.000 2.313 30 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 30 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 30 G C -0.121 174.524 174.900 -0.424 0.000 1.023 30 G CA 0.196 44.864 45.100 -0.719 0.000 0.626 30 G HN 0.469 nan 8.290 nan 0.000 0.503 31 S N -0.477 114.952 115.700 -0.451 0.000 2.600 31 S HA 0.714 5.184 4.470 -0.000 0.000 0.300 31 S C -1.108 173.402 174.600 -0.149 0.000 1.087 31 S CA -0.565 57.558 58.200 -0.128 0.000 0.965 31 S CB 1.481 64.649 63.200 -0.053 0.000 1.089 31 S HN 0.366 nan 8.310 nan 0.000 0.496 32 W N 0.677 122.055 121.300 0.131 0.000 2.496 32 W HA 0.683 5.343 4.660 -0.000 0.000 0.327 32 W C 0.674 177.230 176.519 0.062 0.000 1.086 32 W CA 0.056 57.489 57.345 0.146 0.000 1.222 32 W CB 1.480 31.024 29.460 0.141 0.000 1.304 32 W HN 0.930 nan 8.180 nan 0.000 0.547 33 G N -0.032 108.942 108.800 0.290 0.000 2.588 33 G HA2 0.594 4.554 3.960 -0.000 0.000 0.281 33 G HA3 0.594 4.554 3.960 -0.000 0.000 0.281 33 G C -0.657 174.329 174.900 0.144 0.000 1.223 33 G CA -0.158 45.043 45.100 0.168 0.000 0.871 33 G HN 1.108 nan 8.290 nan 0.000 0.492 34 G N -0.969 107.884 108.800 0.088 0.000 2.362 34 G HA2 0.297 4.257 3.960 -0.000 0.000 0.189 34 G HA3 0.297 4.257 3.960 -0.000 0.000 0.189 34 G C -0.206 174.723 174.900 0.048 0.000 1.374 34 G CA -0.293 44.848 45.100 0.068 0.000 1.140 34 G HN 0.645 nan 8.290 nan 0.000 0.611 35 R N 0.658 121.182 120.500 0.040 0.000 2.432 35 R HA 0.295 4.635 4.340 -0.000 0.000 0.260 35 R C 1.658 177.973 176.300 0.025 0.000 0.935 35 R CA 0.375 56.493 56.100 0.030 0.000 1.080 35 R CB 1.041 31.358 30.300 0.029 0.000 1.155 35 R HN 0.606 nan 8.270 nan 0.000 0.531 36 G N 0.508 109.323 108.800 0.026 0.000 2.510 36 G HA2 0.036 3.996 3.960 -0.000 0.000 0.280 36 G HA3 0.036 3.996 3.960 -0.000 0.000 0.280 36 G C -0.759 174.149 174.900 0.014 0.000 1.386 36 G CA -0.511 44.601 45.100 0.020 0.000 1.047 36 G HN 0.125 nan 8.290 nan 0.000 0.527 37 E N -1.128 119.078 120.200 0.010 0.000 2.413 37 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 37 E C -0.370 176.233 176.600 0.005 0.000 1.015 37 E CA -0.346 56.058 56.400 0.007 0.000 0.916 37 E CB 0.729 30.432 29.700 0.006 0.000 0.947 37 E HN 0.034 nan 8.360 nan 0.000 0.440 38 V N 6.576 126.490 119.914 0.001 0.000 2.432 38 V HA 0.191 4.311 4.120 -0.000 0.000 0.271 38 V C 0.449 176.539 176.094 -0.006 0.000 1.046 38 V CA -0.081 62.216 62.300 -0.006 0.000 0.945 38 V CB 0.759 32.575 31.823 -0.012 0.000 0.992 38 V HN 0.593 nan 8.190 nan 0.000 0.471 39 I N 4.285 124.848 120.570 -0.011 0.000 2.460 39 I HA 0.451 4.621 4.170 -0.000 0.000 0.298 39 I C 0.187 176.287 176.117 -0.028 0.000 0.989 39 I CA 0.028 61.325 61.300 -0.004 0.000 1.173 39 I CB 1.872 39.873 38.000 0.001 0.000 1.338 39 I HN 0.591 nan 8.210 nan 0.000 0.456 40 T N 4.847 119.391 114.554 -0.016 0.000 2.795 40 T HA 0.378 4.728 4.350 -0.000 0.000 0.282 40 T C -0.125 174.515 174.700 -0.099 0.000 0.980 40 T CA -0.484 61.547 62.100 -0.114 0.000 1.012 40 T CB 1.130 69.898 68.868 -0.168 0.000 0.936 40 T HN 0.711 nan 8.240 nan 0.000 0.457 41 T N 0.891 115.318 114.554 -0.212 0.000 2.925 41 T HA 0.710 5.060 4.350 -0.000 0.000 0.285 41 T C -1.065 173.425 174.700 -0.350 0.000 1.021 41 T CA -0.701 61.327 62.100 -0.121 0.000 1.042 41 T CB 0.756 69.589 68.868 -0.057 0.000 1.037 41 T HN 0.472 nan 8.240 nan 0.000 0.481 42 Y N -0.219 120.019 120.300 -0.103 0.000 2.485 42 Y HA 0.535 5.085 4.550 -0.000 0.000 0.345 42 Y C 0.550 176.391 175.900 -0.097 0.000 0.998 42 Y CA -1.232 56.804 58.100 -0.105 0.000 1.059 42 Y CB 1.676 40.071 38.460 -0.108 0.000 1.234 42 Y HN 1.007 nan 8.280 nan 0.000 0.461 43 C N 6.248 125.585 119.300 0.060 0.000 2.464 43 C HA 0.266 4.726 4.460 -0.000 0.000 0.370 43 C C -1.017 174.029 174.990 0.094 0.000 1.267 43 C CA -1.953 57.108 59.018 0.073 0.000 1.781 43 C CB -0.108 27.674 27.740 0.070 0.000 2.431 43 C HN 0.664 nan 8.230 nan 0.000 0.556 44 P HA -0.019 nan 4.420 nan 0.000 0.230 44 P C 1.129 178.429 177.300 -0.001 0.000 1.158 44 P CA 1.432 64.511 63.100 -0.034 0.000 0.769 44 P CB 0.044 31.677 31.700 -0.112 0.000 0.807 45 A N 1.117 124.004 122.820 0.111 0.000 2.066 45 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 45 A C 1.512 179.252 177.584 0.260 0.000 1.157 45 A CA 1.590 53.744 52.037 0.196 0.000 0.670 45 A CB -0.865 18.260 19.000 0.208 0.000 0.804 45 A HN 0.393 nan 8.150 nan 0.000 0.453 46 N N -3.604 115.222 118.700 0.210 0.000 2.036 46 N HA 0.038 4.778 4.740 -0.000 0.000 0.228 46 N C -0.072 175.514 175.510 0.126 0.000 1.368 46 N CA 0.361 53.517 53.050 0.177 0.000 0.846 46 N CB -1.043 37.572 38.487 0.213 0.000 1.145 46 N HN 0.328 nan 8.380 nan 0.000 0.502 47 N N -0.073 118.692 118.700 0.110 0.000 2.708 47 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 47 N C -1.316 174.313 175.510 0.200 0.000 1.123 47 N CA 1.061 54.169 53.050 0.097 0.000 0.739 47 N CB -0.891 37.610 38.487 0.024 0.000 1.113 47 N HN 0.579 nan 8.380 nan 0.000 0.561 48 E N 0.701 121.002 120.200 0.168 0.000 2.277 48 E HA 0.263 4.613 4.350 -0.000 0.000 0.274 48 E C -2.303 174.300 176.600 0.006 0.000 1.022 48 E CA -1.904 54.565 56.400 0.115 0.000 0.853 48 E CB 0.965 30.683 29.700 0.030 0.000 1.086 48 E HN 0.070 nan 8.360 nan 0.000 0.397 49 P HA 0.079 nan 4.420 nan 0.000 0.275 49 P C -0.059 176.990 177.300 -0.418 0.000 1.227 49 P CA 0.248 62.960 63.100 -0.647 0.000 0.781 49 P CB 1.079 32.410 31.700 -0.616 0.000 0.906 50 I N 1.183 121.490 120.570 -0.437 0.000 2.681 50 I HA 0.251 4.421 4.170 -0.000 0.000 0.247 50 I C 1.185 177.109 176.117 -0.321 0.000 1.091 50 I CA 0.835 61.912 61.300 -0.371 0.000 1.442 50 I CB -0.002 37.804 38.000 -0.324 0.000 1.219 50 I HN 0.442 nan 8.210 nan 0.000 0.451 51 A N -0.030 122.614 122.820 -0.293 0.000 2.438 51 A HA 0.688 5.008 4.320 -0.000 0.000 0.301 51 A C -1.204 176.259 177.584 -0.202 0.000 1.101 51 A CA -0.689 51.210 52.037 -0.229 0.000 0.621 51 A CB 0.991 19.867 19.000 -0.206 0.000 1.350 51 A HN 0.027 nan 8.150 nan 0.000 0.496 52 R N -0.669 119.740 120.500 -0.153 0.000 2.778 52 R HA 0.741 5.081 4.340 -0.000 0.000 0.277 52 R C -1.570 174.677 176.300 -0.090 0.000 0.977 52 R CA -0.778 55.253 56.100 -0.116 0.000 0.950 52 R CB 2.262 32.505 30.300 -0.096 0.000 1.165 52 R HN 0.459 nan 8.270 nan 0.000 0.474 53 V N 2.368 122.244 119.914 -0.065 0.000 2.638 53 V HA 0.390 4.510 4.120 -0.000 0.000 0.306 53 V C -0.336 175.747 176.094 -0.019 0.000 1.052 53 V CA -0.984 61.291 62.300 -0.042 0.000 0.885 53 V CB 2.035 33.832 31.823 -0.043 0.000 0.999 53 V HN 0.654 nan 8.190 nan 0.000 0.424 54 R N 3.642 124.142 120.500 0.000 0.000 2.216 54 R HA 0.412 4.752 4.340 -0.000 0.000 0.332 54 R C -0.152 176.164 176.300 0.027 0.000 1.056 54 R CA -0.315 55.794 56.100 0.015 0.000 0.901 54 R CB 0.880 31.196 30.300 0.027 0.000 1.039 54 R HN 0.683 nan 8.270 nan 0.000 0.456 55 Q N 0.998 120.809 119.800 0.018 0.000 2.222 55 Q HA 0.434 4.774 4.340 -0.000 0.000 0.211 55 Q C -0.155 175.864 176.000 0.032 0.000 1.013 55 Q CA -0.740 55.074 55.803 0.019 0.000 0.993 55 Q CB 0.816 29.559 28.738 0.008 0.000 1.151 55 Q HN 0.641 nan 8.270 nan 0.000 0.544 56 A N 0.999 123.842 122.820 0.037 0.000 2.362 56 A HA 0.375 4.695 4.320 -0.000 0.000 0.276 56 A C 0.067 177.682 177.584 0.051 0.000 1.153 56 A CA -0.424 51.647 52.037 0.056 0.000 0.813 56 A CB 0.126 19.179 19.000 0.088 0.000 1.081 56 A HN 0.645 nan 8.150 nan 0.000 0.507 57 S N 1.980 117.711 115.700 0.053 0.000 2.634 57 S HA 0.288 4.758 4.470 -0.000 0.000 0.261 57 S C 1.213 175.858 174.600 0.075 0.000 1.271 57 S CA -0.076 58.152 58.200 0.048 0.000 0.985 57 S CB 0.688 63.912 63.200 0.039 0.000 0.968 57 S HN 0.690 nan 8.310 nan 0.000 0.568 58 V N 1.495 121.445 119.914 0.059 0.000 2.282 58 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 58 V C 3.006 179.175 176.094 0.125 0.000 1.057 58 V CA 2.503 64.854 62.300 0.085 0.000 1.032 58 V CB -1.838 30.013 31.823 0.046 0.000 0.645 58 V HN 1.004 nan 8.190 nan 0.000 0.447 59 A N -0.324 122.543 122.820 0.078 0.000 1.902 59 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 59 A C 2.007 179.626 177.584 0.058 0.000 1.181 59 A CA 1.936 54.009 52.037 0.061 0.000 0.623 59 A CB -0.612 18.411 19.000 0.038 0.000 0.818 59 A HN 0.559 nan 8.150 nan 0.000 0.443 60 D N -1.513 118.926 120.400 0.065 0.000 2.123 60 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 60 D C 1.690 178.023 176.300 0.054 0.000 0.992 60 D CA 1.703 55.732 54.000 0.048 0.000 0.833 60 D CB -0.492 40.342 40.800 0.057 0.000 0.954 60 D HN 0.613 nan 8.370 nan 0.000 0.455 61 Y N 2.101 122.399 120.300 -0.003 0.000 2.114 61 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 61 Y C 2.200 178.100 175.900 -0.001 0.000 1.143 61 Y CA 1.629 59.730 58.100 0.001 0.000 1.135 61 Y CB -0.028 38.437 38.460 0.009 0.000 0.980 61 Y HN -0.169 nan 8.280 nan 0.000 0.499 62 E N 0.605 120.824 120.200 0.032 0.000 2.070 62 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 62 E C 2.065 178.600 176.600 -0.108 0.000 1.004 62 E CA 1.889 58.262 56.400 -0.044 0.000 0.805 62 E CB -0.364 29.366 29.700 0.051 0.000 0.744 62 E HN 0.693 nan 8.360 nan 0.000 0.451 63 E N -0.076 120.082 120.200 -0.070 0.000 2.077 63 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 63 E C 2.104 178.631 176.600 -0.122 0.000 0.989 63 E CA 1.546 57.901 56.400 -0.076 0.000 0.800 63 E CB -0.070 29.598 29.700 -0.052 0.000 0.746 63 E HN 0.177 nan 8.360 nan 0.000 0.452 64 T N 0.599 115.055 114.554 -0.163 0.000 2.737 64 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 64 T C 2.109 176.683 174.700 -0.210 0.000 1.038 64 T CA 0.998 62.984 62.100 -0.190 0.000 1.144 64 T CB -0.211 68.549 68.868 -0.181 0.000 0.866 64 T HN -0.029 nan 8.240 nan 0.000 0.434 65 V N 1.631 121.356 119.914 -0.315 0.000 2.332 65 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 65 V C 2.439 178.449 176.094 -0.140 0.000 1.055 65 V CA 1.693 63.833 62.300 -0.267 0.000 1.038 65 V CB -0.522 31.070 31.823 -0.386 0.000 0.651 65 V HN 0.478 nan 8.190 nan 0.000 0.450 66 K N -0.053 120.275 120.400 -0.120 0.000 2.057 66 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 66 K C 2.251 178.825 176.600 -0.043 0.000 1.049 66 K CA 1.483 57.733 56.287 -0.061 0.000 0.931 66 K CB -0.236 32.235 32.500 -0.048 0.000 0.714 66 K HN 0.408 nan 8.250 nan 0.000 0.440 67 K N 0.487 120.846 120.400 -0.069 0.000 2.057 67 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 67 K C 2.237 178.815 176.600 -0.037 0.000 1.049 67 K CA 1.185 57.435 56.287 -0.062 0.000 0.931 67 K CB -0.143 32.291 32.500 -0.109 0.000 0.714 67 K HN 0.135 nan 8.250 nan 0.000 0.440 68 A N 1.716 124.508 122.820 -0.047 0.000 1.883 68 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 68 A C 2.041 179.676 177.584 0.085 0.000 1.186 68 A CA 1.410 53.448 52.037 0.001 0.000 0.624 68 A CB -0.393 18.598 19.000 -0.014 0.000 0.822 68 A HN 0.214 nan 8.150 nan 0.000 0.444 69 R N -0.705 119.833 120.500 0.063 0.000 2.115 69 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 69 R C 1.932 178.349 176.300 0.196 0.000 1.111 69 R CA 1.108 57.284 56.100 0.127 0.000 0.976 69 R CB -0.214 30.112 30.300 0.044 0.000 0.870 69 R HN 0.461 nan 8.270 nan 0.000 0.445 70 E N 0.926 121.195 120.200 0.116 0.000 2.077 70 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 70 E C 1.991 178.666 176.600 0.126 0.000 0.989 70 E CA 1.356 57.822 56.400 0.110 0.000 0.800 70 E CB -0.246 29.485 29.700 0.052 0.000 0.746 70 E HN 0.313 nan 8.360 nan 0.000 0.452 71 A N 0.389 123.276 122.820 0.112 0.000 1.972 71 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 71 A C 2.028 179.727 177.584 0.190 0.000 1.169 71 A CA 1.304 53.404 52.037 0.105 0.000 0.635 71 A CB -1.066 17.958 19.000 0.040 0.000 0.810 71 A HN 0.436 nan 8.150 nan 0.000 0.446 72 W N 1.072 122.433 121.300 0.101 0.000 2.350 72 W HA -0.186 4.474 4.660 -0.000 0.000 0.289 72 W C 1.923 178.539 176.519 0.162 0.000 1.215 72 W CA 2.072 59.520 57.345 0.172 0.000 1.236 72 W CB -0.012 29.529 29.460 0.135 0.000 1.130 72 W HN 0.276 nan 8.180 nan 0.000 0.541 73 K N -0.250 120.188 120.400 0.064 0.000 2.097 73 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 73 K C 1.889 178.366 176.600 -0.206 0.000 1.049 73 K CA 1.943 58.150 56.287 -0.132 0.000 0.933 73 K CB -0.448 32.084 32.500 0.054 0.000 0.717 73 K HN 0.268 nan 8.250 nan 0.000 0.442 74 I N -0.315 120.213 120.570 -0.070 0.000 2.193 74 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 74 I C 2.345 178.447 176.117 -0.025 0.000 1.084 74 I CA 0.926 62.209 61.300 -0.028 0.000 1.365 74 I CB -0.275 37.756 38.000 0.051 0.000 1.064 74 I HN 0.396 nan 8.210 nan 0.000 0.410 75 W N 2.007 123.178 121.300 -0.214 0.000 2.358 75 W HA -0.232 4.428 4.660 -0.000 0.000 0.303 75 W C 2.413 178.761 176.519 -0.286 0.000 1.208 75 W CA 1.391 58.626 57.345 -0.184 0.000 1.274 75 W CB 0.085 29.490 29.460 -0.092 0.000 1.138 75 W HN 0.133 nan 8.180 nan 0.000 0.515 76 A N 0.123 122.601 122.820 -0.570 0.000 2.121 76 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 76 A C 1.345 178.659 177.584 -0.450 0.000 1.154 76 A CA 1.828 53.464 52.037 -0.669 0.000 0.679 76 A CB -0.717 17.556 19.000 -1.211 0.000 0.795 76 A HN 0.206 nan 8.150 nan 0.000 0.458 77 D N -0.496 119.681 120.400 -0.372 0.000 2.349 77 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 77 D C 0.343 176.508 176.300 -0.225 0.000 1.016 77 D CA 0.217 54.069 54.000 -0.246 0.000 0.870 77 D CB 0.013 40.706 40.800 -0.179 0.000 0.917 77 D HN 0.437 nan 8.370 nan 0.000 0.524 78 I N 2.310 122.700 120.570 -0.301 0.000 2.396 78 I HA 0.125 4.295 4.170 -0.000 0.000 0.289 78 I C -2.048 173.875 176.117 -0.324 0.000 1.056 78 I CA -1.913 59.208 61.300 -0.297 0.000 1.365 78 I CB 0.875 38.660 38.000 -0.358 0.000 1.407 78 I HN -0.348 nan 8.210 nan 0.000 0.509 79 P HA -0.091 nan 4.420 nan 0.000 0.264 79 P C 0.442 177.600 177.300 -0.236 0.000 1.179 79 P CA 0.208 63.193 63.100 -0.193 0.000 0.763 79 P CB 0.757 32.376 31.700 -0.135 0.000 0.806 80 A N 6.306 128.997 122.820 -0.216 0.000 1.917 80 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 80 A C -0.442 177.030 177.584 -0.187 0.000 1.182 80 A CA 1.928 53.830 52.037 -0.225 0.000 0.633 80 A CB -2.370 16.516 19.000 -0.190 0.000 0.819 80 A HN 0.489 nan 8.150 nan 0.000 0.448 81 P HA -0.124 nan 4.420 nan 0.000 0.218 81 P C 1.147 178.388 177.300 -0.099 0.000 1.149 81 P CA 1.422 64.452 63.100 -0.116 0.000 0.817 81 P CB -0.028 31.613 31.700 -0.099 0.000 0.785 82 K N -0.575 119.755 120.400 -0.117 0.000 2.155 82 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 82 K C 2.191 178.734 176.600 -0.095 0.000 1.052 82 K CA 0.878 57.109 56.287 -0.093 0.000 0.948 82 K CB -0.156 32.285 32.500 -0.099 0.000 0.728 82 K HN 0.076 nan 8.250 nan 0.000 0.448 83 R N 0.112 120.482 120.500 -0.217 0.000 2.096 83 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 83 R C 2.467 178.787 176.300 0.033 0.000 1.127 83 R CA 1.346 57.317 56.100 -0.214 0.000 0.968 83 R CB -0.522 29.453 30.300 -0.542 0.000 0.861 83 R HN 0.281 nan 8.270 nan 0.000 0.440 84 G N 1.304 110.083 108.800 -0.034 0.000 2.450 84 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 84 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 84 G C 1.340 176.253 174.900 0.022 0.000 1.130 84 G CA 0.975 46.072 45.100 -0.006 0.000 0.760 84 G HN 0.306 nan 8.290 nan 0.000 0.557 85 E N 0.658 120.869 120.200 0.018 0.000 2.106 85 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 85 E C 2.385 179.023 176.600 0.064 0.000 0.984 85 E CA 0.626 57.043 56.400 0.029 0.000 0.806 85 E CB -0.283 29.426 29.700 0.016 0.000 0.750 85 E HN 0.310 nan 8.360 nan 0.000 0.458 86 I N 0.406 121.047 120.570 0.118 0.000 2.226 86 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 86 I C 2.335 178.523 176.117 0.117 0.000 1.100 86 I CA 0.768 62.159 61.300 0.152 0.000 1.374 86 I CB -1.226 36.949 38.000 0.292 0.000 1.057 86 I HN 0.084 nan 8.210 nan 0.000 0.413 87 V N 0.942 120.934 119.914 0.130 0.000 2.427 87 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 87 V C 2.759 178.884 176.094 0.053 0.000 1.051 87 V CA 1.636 63.995 62.300 0.098 0.000 1.048 87 V CB -0.809 31.080 31.823 0.110 0.000 0.666 87 V HN 0.391 nan 8.190 nan 0.000 0.456 88 R N -0.070 120.456 120.500 0.042 0.000 2.096 88 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 88 R C 2.376 178.683 176.300 0.012 0.000 1.139 88 R CA 2.140 58.254 56.100 0.023 0.000 0.952 88 R CB -0.212 30.098 30.300 0.017 0.000 0.854 88 R HN 0.593 nan 8.270 nan 0.000 0.436 89 Q N -0.055 119.757 119.800 0.020 0.000 2.119 89 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 89 Q C 2.237 178.233 176.000 -0.008 0.000 0.972 89 Q CA 1.482 57.292 55.803 0.011 0.000 0.847 89 Q CB -0.041 28.712 28.738 0.026 0.000 0.903 89 Q HN 0.443 nan 8.270 nan 0.000 0.433 90 I N 0.433 120.997 120.570 -0.010 0.000 2.163 90 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 90 I C 2.351 178.391 176.117 -0.128 0.000 1.085 90 I CA 1.290 62.553 61.300 -0.060 0.000 1.347 90 I CB -0.684 37.290 38.000 -0.042 0.000 1.044 90 I HN 0.290 nan 8.210 nan 0.000 0.408 91 G N 0.367 109.110 108.800 -0.094 0.000 2.446 91 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 91 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 91 G C 1.293 176.149 174.900 -0.073 0.000 1.168 91 G CA 1.112 46.153 45.100 -0.099 0.000 0.771 91 G HN 0.289 nan 8.290 nan 0.000 0.551 92 D N 0.783 121.158 120.400 -0.041 0.000 2.144 92 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 92 D C 2.818 179.098 176.300 -0.033 0.000 0.978 92 D CA 1.089 55.072 54.000 -0.027 0.000 0.833 92 D CB -0.382 40.410 40.800 -0.012 0.000 0.961 92 D HN 0.298 nan 8.370 nan 0.000 0.470 93 A N 0.548 123.343 122.820 -0.042 0.000 1.902 93 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 93 A C 2.367 179.922 177.584 -0.050 0.000 1.181 93 A CA 0.895 52.910 52.037 -0.037 0.000 0.623 93 A CB -0.720 18.261 19.000 -0.032 0.000 0.818 93 A HN 0.203 nan 8.150 nan 0.000 0.443 94 L N -1.173 119.993 121.223 -0.096 0.000 2.017 94 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 94 L C 2.801 179.640 176.870 -0.051 0.000 1.073 94 L CA 1.461 56.240 54.840 -0.102 0.000 0.745 94 L CB -0.504 41.422 42.059 -0.221 0.000 0.894 94 L HN 0.321 nan 8.230 nan 0.000 0.432 95 R N 0.150 120.623 120.500 -0.045 0.000 2.119 95 R HA -0.221 4.119 4.340 -0.000 0.000 0.246 95 R C 2.171 178.464 176.300 -0.012 0.000 1.146 95 R CA 1.807 57.895 56.100 -0.020 0.000 0.962 95 R CB -0.336 29.955 30.300 -0.015 0.000 0.863 95 R HN 0.487 nan 8.270 nan 0.000 0.442 96 E N -0.057 120.135 120.200 -0.013 0.000 2.204 96 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 96 E C 0.998 177.598 176.600 -0.001 0.000 0.989 96 E CA 0.749 57.145 56.400 -0.006 0.000 0.824 96 E CB 0.225 29.922 29.700 -0.005 0.000 0.756 96 E HN 0.096 nan 8.360 nan 0.000 0.477 97 K N 0.459 120.860 120.400 0.001 0.000 2.440 97 K HA 0.162 4.482 4.320 -0.000 0.000 0.206 97 K C 1.433 178.041 176.600 0.014 0.000 1.025 97 K CA -0.108 56.187 56.287 0.013 0.000 1.135 97 K CB 0.459 32.973 32.500 0.022 0.000 0.856 97 K HN 0.179 nan 8.250 nan 0.000 0.502 98 I N 0.885 121.458 120.570 0.005 0.000 2.226 98 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 98 I C 1.838 177.954 176.117 -0.001 0.000 1.100 98 I CA 1.454 62.759 61.300 0.008 0.000 1.374 98 I CB 0.416 38.420 38.000 0.007 0.000 1.057 98 I HN 0.135 nan 8.210 nan 0.000 0.413 99 Q N 0.186 119.974 119.800 -0.021 0.000 2.083 99 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 99 Q C 2.344 178.286 176.000 -0.097 0.000 0.969 99 Q CA 2.142 57.910 55.803 -0.058 0.000 0.838 99 Q CB -0.620 28.076 28.738 -0.070 0.000 0.900 99 Q HN 0.656 nan 8.270 nan 0.000 0.436 100 V N -1.238 118.641 119.914 -0.058 0.000 2.453 100 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 100 V C 2.243 178.370 176.094 0.056 0.000 1.048 100 V CA 1.140 63.421 62.300 -0.032 0.000 1.049 100 V CB -0.924 30.963 31.823 0.107 0.000 0.672 100 V HN 0.127 nan 8.190 nan 0.000 0.457 101 L N 2.563 123.824 121.223 0.063 0.000 2.093 101 L HA 0.222 4.562 4.340 -0.000 0.000 0.208 101 L C 2.417 179.335 176.870 0.080 0.000 1.085 101 L CA 2.203 57.101 54.840 0.096 0.000 0.755 101 L CB -1.359 40.753 42.059 0.088 0.000 0.904 101 L HN 0.316 nan 8.230 nan 0.000 0.435 102 G N -1.619 107.203 108.800 0.037 0.000 2.422 102 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 102 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 102 G C 1.586 176.495 174.900 0.015 0.000 1.146 102 G CA 0.862 45.981 45.100 0.031 0.000 0.769 102 G HN 0.465 nan 8.290 nan 0.000 0.547 103 S N 0.247 115.896 115.700 -0.085 0.000 2.370 103 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 103 S C 2.155 176.799 174.600 0.074 0.000 1.033 103 S CA 1.241 59.317 58.200 -0.206 0.000 1.011 103 S CB -0.271 62.420 63.200 -0.848 0.000 0.852 103 S HN 0.282 nan 8.310 nan 0.000 0.457 104 L N 1.824 123.186 121.223 0.231 0.000 2.093 104 L HA 0.004 4.343 4.340 -0.000 0.000 0.208 104 L C 2.120 179.105 176.870 0.192 0.000 1.085 104 L CA 1.440 56.476 54.840 0.326 0.000 0.755 104 L CB -0.684 41.536 42.059 0.268 0.000 0.904 104 L HN 0.117 nan 8.230 nan 0.000 0.435 105 V N -1.052 118.948 119.914 0.143 0.000 2.287 105 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 105 V C 2.750 178.923 176.094 0.132 0.000 1.053 105 V CA 1.918 64.287 62.300 0.114 0.000 1.027 105 V CB -0.895 30.975 31.823 0.079 0.000 0.646 105 V HN 0.614 nan 8.190 nan 0.000 0.447 106 S N -0.566 115.226 115.700 0.154 0.000 2.382 106 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 106 S C 1.855 176.647 174.600 0.321 0.000 1.027 106 S CA 1.918 60.251 58.200 0.222 0.000 0.991 106 S CB -0.266 63.095 63.200 0.268 0.000 0.823 106 S HN 0.432 nan 8.310 nan 0.000 0.469 107 L N 1.329 122.719 121.223 0.280 0.000 2.049 107 L HA 0.162 4.502 4.340 -0.000 0.000 0.203 107 L C 2.317 179.286 176.870 0.166 0.000 1.074 107 L CA 2.151 57.125 54.840 0.223 0.000 0.749 107 L CB -0.671 41.469 42.059 0.135 0.000 0.907 107 L HN 0.340 nan 8.230 nan 0.000 0.439 108 E N -1.357 118.923 120.200 0.133 0.000 2.122 108 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 108 E C 2.093 178.816 176.600 0.205 0.000 0.977 108 E CA 0.763 57.231 56.400 0.114 0.000 0.820 108 E CB 0.008 29.757 29.700 0.081 0.000 0.770 108 E HN 0.428 nan 8.360 nan 0.000 0.462 109 M N -1.010 118.721 119.600 0.218 0.000 2.412 109 M HA 0.093 4.573 4.480 -0.000 0.000 0.263 109 M C 1.276 177.740 176.300 0.274 0.000 1.122 109 M CA 2.094 57.566 55.300 0.286 0.000 1.179 109 M CB 0.691 33.363 32.600 0.120 0.000 1.335 109 M HN 0.274 nan 8.290 nan 0.000 0.465 110 G N 1.663 110.559 108.800 0.161 0.000 2.205 110 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.180 110 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.180 110 G C 0.093 174.993 174.900 0.000 0.000 1.004 110 G CA 0.326 45.480 45.100 0.090 0.000 0.670 110 G HN 0.597 nan 8.290 nan 0.000 0.496 111 K N 1.252 121.650 120.400 -0.003 0.000 2.138 111 K HA 0.683 5.003 4.320 -0.000 0.000 0.251 111 K C 1.239 177.837 176.600 -0.003 0.000 1.015 111 K CA -0.437 55.816 56.287 -0.057 0.000 0.917 111 K CB 1.306 33.743 32.500 -0.105 0.000 1.021 111 K HN 0.737 nan 8.250 nan 0.000 0.485 112 I N -0.403 120.157 120.570 -0.016 0.000 2.938 112 I HA -0.062 4.108 4.170 -0.000 0.000 0.285 112 I C 1.134 177.282 176.117 0.053 0.000 1.182 112 I CA -0.684 60.629 61.300 0.021 0.000 1.388 112 I CB 0.425 38.435 38.000 0.018 0.000 1.390 112 I HN 0.715 nan 8.210 nan 0.000 0.600 113 L N 4.952 126.219 121.223 0.073 0.000 2.079 113 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 113 L C 2.144 179.045 176.870 0.053 0.000 1.081 113 L CA 1.869 56.753 54.840 0.074 0.000 0.752 113 L CB -0.475 41.630 42.059 0.076 0.000 0.896 113 L HN 0.721 nan 8.230 nan 0.000 0.433 114 V N -0.565 119.381 119.914 0.053 0.000 2.490 114 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 114 V C 2.334 178.469 176.094 0.069 0.000 1.061 114 V CA 2.142 64.475 62.300 0.055 0.000 1.064 114 V CB -0.292 31.566 31.823 0.058 0.000 0.670 114 V HN 0.641 nan 8.190 nan 0.000 0.461 115 E N -0.255 119.988 120.200 0.071 0.000 2.158 115 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 115 E C 2.148 178.783 176.600 0.059 0.000 0.982 115 E CA 0.877 57.323 56.400 0.077 0.000 0.823 115 E CB -0.400 29.333 29.700 0.056 0.000 0.766 115 E HN 0.696 nan 8.360 nan 0.000 0.468 116 G N 1.371 110.198 108.800 0.045 0.000 2.433 116 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 116 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 116 G C 1.767 176.701 174.900 0.057 0.000 1.186 116 G CA 0.717 45.845 45.100 0.047 0.000 0.779 116 G HN 0.099 nan 8.290 nan 0.000 0.543 117 V N 1.748 121.691 119.914 0.049 0.000 2.287 117 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 117 V C 3.159 179.290 176.094 0.062 0.000 1.053 117 V CA 2.103 64.430 62.300 0.045 0.000 1.027 117 V CB -1.165 30.676 31.823 0.029 0.000 0.646 117 V HN 0.452 nan 8.190 nan 0.000 0.447 118 G N -1.248 107.597 108.800 0.075 0.000 2.450 118 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 118 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 118 G C 1.535 176.501 174.900 0.110 0.000 1.130 118 G CA 0.885 46.041 45.100 0.093 0.000 0.760 118 G HN 0.555 nan 8.290 nan 0.000 0.557 119 E N -0.301 119.966 120.200 0.113 0.000 2.072 119 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 119 E C 2.753 179.418 176.600 0.108 0.000 0.985 119 E CA 0.839 57.309 56.400 0.117 0.000 0.801 119 E CB 0.019 29.787 29.700 0.112 0.000 0.750 119 E HN 0.323 nan 8.360 nan 0.000 0.452 120 V N 0.889 120.868 119.914 0.108 0.000 2.427 120 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 120 V C 2.384 178.543 176.094 0.108 0.000 1.051 120 V CA 1.766 64.137 62.300 0.120 0.000 1.048 120 V CB -0.501 31.373 31.823 0.084 0.000 0.666 120 V HN 0.214 nan 8.190 nan 0.000 0.456 121 Q N 0.745 120.598 119.800 0.088 0.000 2.135 121 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 121 Q C 2.088 178.154 176.000 0.110 0.000 0.981 121 Q CA 2.272 58.124 55.803 0.081 0.000 0.856 121 Q CB -0.340 28.439 28.738 0.068 0.000 0.902 121 Q HN 0.731 nan 8.270 nan 0.000 0.425 122 E N -1.312 118.966 120.200 0.130 0.000 2.051 122 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 122 E C 1.649 178.382 176.600 0.221 0.000 0.991 122 E CA 1.307 57.807 56.400 0.167 0.000 0.799 122 E CB -0.496 29.300 29.700 0.159 0.000 0.748 122 E HN 0.509 nan 8.360 nan 0.000 0.449 123 Y N 0.569 120.877 120.300 0.014 0.000 2.145 123 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 123 Y C 2.170 178.092 175.900 0.036 0.000 1.145 123 Y CA 1.194 59.294 58.100 0.001 0.000 1.148 123 Y CB -0.723 37.717 38.460 -0.032 0.000 0.981 123 Y HN -0.024 nan 8.280 nan 0.000 0.507 124 V N 0.676 120.666 119.914 0.126 0.000 2.282 124 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 124 V C 2.195 178.344 176.094 0.091 0.000 1.057 124 V CA 2.349 64.670 62.300 0.036 0.000 1.032 124 V CB -0.670 31.163 31.823 0.017 0.000 0.645 124 V HN 0.297 nan 8.190 nan 0.000 0.447 125 D N -0.614 119.857 120.400 0.117 0.000 2.117 125 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 125 D C 1.901 178.288 176.300 0.144 0.000 0.982 125 D CA 1.137 55.203 54.000 0.111 0.000 0.828 125 D CB -0.242 40.613 40.800 0.092 0.000 0.967 125 D HN 0.442 nan 8.370 nan 0.000 0.464 126 I N 0.360 121.041 120.570 0.187 0.000 2.439 126 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 126 I C 1.958 178.211 176.117 0.227 0.000 1.139 126 I CA 0.747 62.169 61.300 0.203 0.000 1.438 126 I CB -0.039 38.108 38.000 0.244 0.000 1.085 126 I HN -0.014 nan 8.210 nan 0.000 0.427 127 C N 0.652 120.078 119.300 0.210 0.000 2.413 127 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 127 C C 2.395 177.454 174.990 0.114 0.000 1.236 127 C CA 1.266 60.372 59.018 0.146 0.000 1.735 127 C CB -1.214 26.571 27.740 0.075 0.000 2.031 127 C HN 0.526 nan 8.230 nan 0.000 0.474 128 D N -1.012 119.455 120.400 0.112 0.000 2.144 128 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 128 D C 1.712 178.082 176.300 0.116 0.000 0.978 128 D CA 1.169 55.223 54.000 0.089 0.000 0.833 128 D CB -0.520 40.327 40.800 0.079 0.000 0.961 128 D HN 0.660 nan 8.370 nan 0.000 0.470 129 Y N 1.665 121.976 120.300 0.019 0.000 2.145 129 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 129 Y C 2.277 178.169 175.900 -0.013 0.000 1.145 129 Y CA 1.694 59.796 58.100 0.004 0.000 1.148 129 Y CB -0.302 38.164 38.460 0.011 0.000 0.981 129 Y HN -0.057 nan 8.280 nan 0.000 0.507 130 A N -0.703 122.181 122.820 0.107 0.000 1.972 130 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 130 A C 2.301 179.837 177.584 -0.081 0.000 1.169 130 A CA 1.689 53.719 52.037 -0.012 0.000 0.635 130 A CB -1.278 17.760 19.000 0.064 0.000 0.810 130 A HN 0.350 nan 8.150 nan 0.000 0.446 131 V N -0.018 119.872 119.914 -0.040 0.000 2.282 131 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 131 V C 2.812 178.842 176.094 -0.107 0.000 1.057 131 V CA 2.167 64.435 62.300 -0.054 0.000 1.032 131 V CB -1.489 30.321 31.823 -0.023 0.000 0.645 131 V HN 0.600 nan 8.190 nan 0.000 0.447 132 G N -0.532 108.183 108.800 -0.141 0.000 2.404 132 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 132 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 132 G C 1.551 176.304 174.900 -0.245 0.000 1.174 132 G CA 0.942 45.934 45.100 -0.180 0.000 0.780 132 G HN 0.413 nan 8.290 nan 0.000 0.537 133 L N 2.074 123.093 121.223 -0.340 0.000 2.127 133 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 133 L C 3.064 179.731 176.870 -0.340 0.000 1.089 133 L CA 2.234 56.839 54.840 -0.392 0.000 0.757 133 L CB -0.560 41.224 42.059 -0.458 0.000 0.899 133 L HN 0.367 nan 8.230 nan 0.000 0.434 134 S N -1.222 114.329 115.700 -0.248 0.000 2.469 134 S HA -0.169 4.301 4.470 -0.000 0.000 0.238 134 S C 1.906 176.382 174.600 -0.206 0.000 0.998 134 S CA 0.775 58.845 58.200 -0.217 0.000 0.957 134 S CB -0.498 62.612 63.200 -0.149 0.000 0.764 134 S HN 0.572 nan 8.310 nan 0.000 0.514 135 R N -0.477 119.908 120.500 -0.193 0.000 2.393 135 R HA 0.415 4.755 4.340 -0.000 0.000 0.244 135 R C 1.249 177.443 176.300 -0.177 0.000 0.920 135 R CA 0.227 56.230 56.100 -0.162 0.000 1.076 135 R CB 0.012 30.237 30.300 -0.125 0.000 1.119 135 R HN 0.503 nan 8.270 nan 0.000 0.524 136 M N 0.167 119.619 119.600 -0.245 0.000 2.379 136 M HA 0.207 4.687 4.480 -0.000 0.000 0.268 136 M C 0.577 176.669 176.300 -0.347 0.000 1.185 136 M CA -0.045 55.105 55.300 -0.250 0.000 1.121 136 M CB 0.542 32.991 32.600 -0.252 0.000 1.608 136 M HN 0.002 nan 8.290 nan 0.000 0.569 137 I N 0.686 120.922 120.570 -0.558 0.000 2.775 137 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 137 I C 0.346 176.167 176.117 -0.493 0.000 1.203 137 I CA 0.170 60.900 61.300 -0.950 0.000 1.433 137 I CB -0.167 37.062 38.000 -1.284 0.000 1.354 137 I HN 0.258 nan 8.210 nan 0.000 0.579 138 G N 3.151 111.730 108.800 -0.368 0.000 2.356 138 G HA2 0.479 4.439 3.960 -0.000 0.000 0.288 138 G HA3 0.479 4.439 3.960 -0.000 0.000 0.288 138 G C -0.976 174.141 174.900 0.362 0.000 1.302 138 G CA -0.399 44.775 45.100 0.123 0.000 0.887 138 G HN 1.061 nan 8.290 nan 0.000 0.521 139 G N -0.525 108.571 108.800 0.493 0.000 2.714 139 G HA2 0.875 4.835 3.960 -0.000 0.000 0.292 139 G HA3 0.875 4.835 3.960 -0.000 0.000 0.292 139 G C -2.711 172.342 174.900 0.255 0.000 1.308 139 G CA -1.099 44.295 45.100 0.489 0.000 0.964 139 G HN 0.632 nan 8.290 nan 0.000 0.484 140 P HA 0.301 nan 4.420 nan 0.000 0.277 140 P C -0.699 176.663 177.300 0.103 0.000 1.240 140 P CA -0.376 62.803 63.100 0.130 0.000 0.798 140 P CB 1.932 33.701 31.700 0.114 0.000 0.979 141 I N 2.688 123.304 120.570 0.078 0.000 2.312 141 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 141 I C -0.559 175.593 176.117 0.058 0.000 1.031 141 I CA -0.734 60.604 61.300 0.063 0.000 1.293 141 I CB 0.080 38.110 38.000 0.051 0.000 1.403 141 I HN 0.169 nan 8.210 nan 0.000 0.484 142 L N 8.872 130.129 121.223 0.057 0.000 2.334 142 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 142 L C -2.214 174.685 176.870 0.048 0.000 1.020 142 L CA -1.946 52.923 54.840 0.049 0.000 0.812 142 L CB 1.366 43.452 42.059 0.044 0.000 1.264 142 L HN 0.479 nan 8.230 nan 0.000 0.439 143 P HA 0.101 nan 4.420 nan 0.000 0.286 143 P C -0.542 176.777 177.300 0.032 0.000 1.321 143 P CA -0.285 62.840 63.100 0.041 0.000 0.790 143 P CB 1.363 33.083 31.700 0.032 0.000 0.897 144 S N 2.054 117.778 115.700 0.039 0.000 2.562 144 S HA 0.010 4.480 4.470 -0.000 0.000 0.281 144 S C 1.444 176.036 174.600 -0.014 0.000 1.333 144 S CA -0.415 57.792 58.200 0.012 0.000 1.052 144 S CB 0.264 63.479 63.200 0.025 0.000 0.884 144 S HN 0.556 nan 8.310 nan 0.000 0.506 145 E N 3.716 123.891 120.200 -0.042 0.000 2.472 145 E HA -0.082 4.268 4.350 -0.000 0.000 0.200 145 E C -0.031 176.514 176.600 -0.092 0.000 1.046 145 E CA 0.604 56.972 56.400 -0.054 0.000 0.871 145 E CB 0.048 29.715 29.700 -0.055 0.000 0.806 145 E HN 0.508 nan 8.360 nan 0.000 0.533 146 R N 1.516 121.924 120.500 -0.153 0.000 2.255 146 R HA 0.256 4.596 4.340 -0.000 0.000 0.326 146 R C -0.448 175.780 176.300 -0.120 0.000 0.986 146 R CA -0.476 55.463 56.100 -0.268 0.000 0.847 146 R CB 1.706 31.556 30.300 -0.750 0.000 1.111 146 R HN -0.054 nan 8.270 nan 0.000 0.452 147 S N 1.566 117.236 115.700 -0.050 0.000 2.558 147 S HA 0.184 4.654 4.470 -0.000 0.000 0.288 147 S C 1.296 175.937 174.600 0.069 0.000 1.318 147 S CA 1.109 59.319 58.200 0.017 0.000 1.056 147 S CB 0.344 63.549 63.200 0.008 0.000 0.853 147 S HN 0.908 nan 8.310 nan 0.000 0.505 148 G N 3.304 112.068 108.800 -0.059 0.000 2.179 148 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 148 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 148 G C -0.279 174.035 174.900 -0.976 0.000 1.010 148 G CA 0.727 45.512 45.100 -0.525 0.000 0.736 148 G HN 0.937 nan 8.290 nan 0.000 0.513 149 H N -0.476 118.290 119.070 -0.507 0.000 2.717 149 H HA 0.766 5.322 4.556 -0.000 0.000 0.366 149 H C 0.329 175.697 175.328 0.067 0.000 1.132 149 H CA 0.135 56.022 56.048 -0.269 0.000 1.180 149 H CB 1.834 31.516 29.762 -0.134 0.000 1.678 149 H HN 0.582 nan 8.280 nan 0.000 0.537 150 A N 1.982 124.987 122.820 0.309 0.000 2.306 150 A HA 0.644 4.964 4.320 -0.000 0.000 0.330 150 A C -1.196 176.480 177.584 0.154 0.000 1.146 150 A CA -0.562 51.624 52.037 0.249 0.000 0.827 150 A CB 0.662 19.801 19.000 0.230 0.000 1.178 150 A HN 0.498 nan 8.150 nan 0.000 0.490 151 L N 3.029 124.317 121.223 0.108 0.000 2.404 151 L HA 0.749 5.089 4.340 -0.000 0.000 0.272 151 L C -0.820 176.086 176.870 0.060 0.000 0.980 151 L CA -0.344 54.539 54.840 0.071 0.000 0.836 151 L CB 1.301 43.392 42.059 0.052 0.000 1.238 151 L HN 0.674 nan 8.230 nan 0.000 0.408 152 I N 0.930 121.529 120.570 0.048 0.000 2.582 152 I HA 0.604 4.774 4.170 -0.000 0.000 0.292 152 I C -0.987 175.144 176.117 0.024 0.000 1.066 152 I CA -0.655 60.672 61.300 0.046 0.000 1.053 152 I CB 2.154 40.183 38.000 0.048 0.000 1.241 152 I HN 0.730 nan 8.210 nan 0.000 0.421 153 E N 5.527 125.752 120.200 0.042 0.000 2.081 153 E HA 0.277 4.627 4.350 -0.000 0.000 0.276 153 E C -1.058 175.559 176.600 0.028 0.000 0.950 153 E CA -0.588 55.813 56.400 0.002 0.000 0.776 153 E CB 1.056 30.793 29.700 0.060 0.000 1.094 153 E HN 0.560 nan 8.360 nan 0.000 0.402 154 Q N 3.318 123.066 119.800 -0.086 0.000 2.257 154 Q HA 0.320 4.660 4.340 -0.000 0.000 0.262 154 Q C -1.276 174.621 176.000 -0.173 0.000 0.997 154 Q CA -0.414 55.385 55.803 -0.007 0.000 0.873 154 Q CB 1.558 30.293 28.738 -0.006 0.000 1.312 154 Q HN 0.534 nan 8.270 nan 0.000 0.450 155 W N 1.264 122.641 121.300 0.129 0.000 2.785 155 W HA 0.445 5.105 4.660 -0.000 0.000 0.333 155 W C 0.007 176.615 176.519 0.148 0.000 1.062 155 W CA -0.431 57.022 57.345 0.179 0.000 1.233 155 W CB 1.432 31.088 29.460 0.327 0.000 1.413 155 W HN 0.356 nan 8.180 nan 0.000 0.489 156 N N 2.723 121.638 118.700 0.358 0.000 2.284 156 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 156 N C -2.828 172.877 175.510 0.326 0.000 1.179 156 N CA -1.743 51.474 53.050 0.278 0.000 0.774 156 N CB 2.505 41.112 38.487 0.199 0.000 1.548 156 N HN -0.068 nan 8.380 nan 0.000 0.473 157 P HA -0.026 nan 4.420 nan 0.000 0.267 157 P C 1.257 178.735 177.300 0.296 0.000 1.200 157 P CA -0.153 63.179 63.100 0.386 0.000 0.772 157 P CB 0.684 32.717 31.700 0.556 0.000 0.855 158 V N -0.035 120.013 119.914 0.224 0.000 2.548 158 V HA 0.207 4.327 4.120 -0.000 0.000 0.249 158 V C 1.233 177.253 176.094 -0.123 0.000 1.055 158 V CA 1.890 64.238 62.300 0.079 0.000 1.065 158 V CB -1.453 30.426 31.823 0.094 0.000 0.681 158 V HN 0.840 nan 8.190 nan 0.000 0.462 159 G N 0.562 109.248 108.800 -0.192 0.000 1.844 159 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.177 159 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.177 159 G C -0.753 173.957 174.900 -0.316 0.000 1.010 159 G CA -0.124 44.514 45.100 -0.769 0.000 1.257 159 G HN 0.798 nan 8.290 nan 0.000 0.428 160 L N 2.104 123.210 121.223 -0.196 0.000 2.264 160 L HA 0.785 5.125 4.340 -0.000 0.000 0.289 160 L C -0.110 176.792 176.870 0.053 0.000 1.044 160 L CA -0.841 53.988 54.840 -0.018 0.000 0.807 160 L CB 1.571 43.612 42.059 -0.030 0.000 1.192 160 L HN 0.495 nan 8.230 nan 0.000 0.425 161 V N 5.690 125.678 119.914 0.124 0.000 2.333 161 V HA 0.548 4.668 4.120 -0.000 0.000 0.274 161 V C 0.918 177.112 176.094 0.167 0.000 1.028 161 V CA -0.365 62.031 62.300 0.160 0.000 0.851 161 V CB 0.786 32.751 31.823 0.237 0.000 1.000 161 V HN 0.938 nan 8.190 nan 0.000 0.456 162 G N 5.307 114.204 108.800 0.161 0.000 2.390 162 G HA2 0.618 4.578 3.960 -0.000 0.000 0.270 162 G HA3 0.618 4.578 3.960 -0.000 0.000 0.270 162 G C -0.600 174.432 174.900 0.219 0.000 1.211 162 G CA -0.314 44.904 45.100 0.197 0.000 0.842 162 G HN 0.664 nan 8.290 nan 0.000 0.519 163 I N 2.647 123.379 120.570 0.269 0.000 2.439 163 I HA 0.301 4.471 4.170 -0.000 0.000 0.283 163 I C -0.464 175.866 176.117 0.356 0.000 1.023 163 I CA -0.411 61.051 61.300 0.270 0.000 1.100 163 I CB 1.811 39.943 38.000 0.221 0.000 1.238 163 I HN 0.224 nan 8.210 nan 0.000 0.445 164 I N 5.814 126.542 120.570 0.263 0.000 2.354 164 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 164 I C 0.267 176.414 176.117 0.049 0.000 0.989 164 I CA -0.242 61.184 61.300 0.210 0.000 1.188 164 I CB 1.939 40.082 38.000 0.238 0.000 1.342 164 I HN 0.570 nan 8.210 nan 0.000 0.457 165 T N 2.591 117.221 114.554 0.127 0.000 2.924 165 T HA 0.833 5.183 4.350 -0.000 0.000 0.291 165 T C -0.224 174.472 174.700 -0.007 0.000 1.045 165 T CA -0.846 61.296 62.100 0.071 0.000 1.015 165 T CB 1.989 71.030 68.868 0.287 0.000 1.103 165 T HN 0.572 nan 8.240 nan 0.000 0.496 166 A N 1.139 123.920 122.820 -0.065 0.000 2.257 166 A HA 0.636 4.956 4.320 -0.000 0.000 0.289 166 A C 0.843 178.398 177.584 -0.049 0.000 1.095 166 A CA -0.839 51.145 52.037 -0.089 0.000 0.836 166 A CB -0.162 18.721 19.000 -0.194 0.000 1.111 166 A HN 1.146 nan 8.150 nan 0.000 0.497 167 F N 0.643 120.543 119.950 -0.082 0.000 2.407 167 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 167 F C 1.644 177.309 175.800 -0.225 0.000 1.097 167 F CA 1.276 59.166 58.000 -0.184 0.000 1.422 167 F CB -0.437 38.331 39.000 -0.387 0.000 1.067 167 F HN 0.525 nan 8.300 nan 0.000 0.539 168 N N 0.212 118.366 118.700 -0.910 0.000 2.415 168 N HA -0.073 4.667 4.740 -0.000 0.000 0.176 168 N C -0.252 174.845 175.510 -0.689 0.000 1.042 168 N CA 0.481 53.016 53.050 -0.858 0.000 0.902 168 N CB -0.661 37.311 38.487 -0.859 0.000 0.986 168 N HN 0.374 nan 8.380 nan 0.000 0.447 169 F N 1.313 121.124 119.950 -0.231 0.000 2.531 169 F HA 0.438 4.965 4.527 -0.000 0.000 0.333 169 F C -1.715 174.004 175.800 -0.135 0.000 1.292 169 F CA -2.010 55.880 58.000 -0.183 0.000 1.184 169 F CB 1.881 40.724 39.000 -0.261 0.000 1.426 169 F HN -0.087 nan 8.300 nan 0.000 0.559 170 P HA -0.023 nan 4.420 nan 0.000 0.237 170 P C 1.081 178.511 177.300 0.218 0.000 1.178 170 P CA 0.884 64.058 63.100 0.124 0.000 0.766 170 P CB 0.816 32.571 31.700 0.091 0.000 0.876 171 V N 0.031 120.020 119.914 0.124 0.000 2.743 171 V HA 0.142 4.262 4.120 -0.000 0.000 0.237 171 V C 2.692 178.712 176.094 -0.124 0.000 1.113 171 V CA 1.356 63.729 62.300 0.122 0.000 1.141 171 V CB -1.211 30.712 31.823 0.167 0.000 0.873 171 V HN -0.001 nan 8.190 nan 0.000 0.486 172 A N 0.206 122.879 122.820 -0.244 0.000 1.898 172 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 172 A C 2.328 179.143 177.584 -1.283 0.000 1.181 172 A CA 2.064 53.685 52.037 -0.693 0.000 0.620 172 A CB -0.638 17.968 19.000 -0.656 0.000 0.819 172 A HN 0.281 nan 8.150 nan 0.000 0.442 173 V N -1.263 118.062 119.914 -0.981 0.000 2.261 173 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 173 V C 2.352 178.143 176.094 -0.506 0.000 1.047 173 V CA 2.185 64.007 62.300 -0.798 0.000 1.015 173 V CB -1.079 30.541 31.823 -0.338 0.000 0.642 173 V HN 0.709 nan 8.190 nan 0.000 0.446 174 Y N 1.972 121.930 120.300 -0.570 0.000 2.114 174 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 174 Y C 2.322 177.728 175.900 -0.823 0.000 1.165 174 Y CA 1.889 59.516 58.100 -0.789 0.000 1.148 174 Y CB -1.008 36.632 38.460 -1.367 0.000 0.972 174 Y HN 0.191 nan 8.280 nan 0.000 0.504 175 G N -0.424 107.649 108.800 -1.213 0.000 2.446 175 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 175 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 175 G C 1.357 175.764 174.900 -0.822 0.000 1.168 175 G CA 0.949 44.953 45.100 -1.827 0.000 0.771 175 G HN 0.526 nan 8.290 nan 0.000 0.551 176 W N 1.383 122.366 121.300 -0.529 0.000 2.335 176 W HA -0.047 4.613 4.660 -0.000 0.000 0.311 176 W C 2.439 178.767 176.519 -0.317 0.000 1.213 176 W CA 0.817 57.974 57.345 -0.312 0.000 1.274 176 W CB -1.115 28.214 29.460 -0.219 0.000 1.148 176 W HN 0.240 nan 8.180 nan 0.000 0.498 177 N N 0.099 118.719 118.700 -0.133 0.000 2.142 177 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 177 N C 1.609 176.907 175.510 -0.352 0.000 1.023 177 N CA 1.217 54.174 53.050 -0.156 0.000 0.852 177 N CB -0.880 37.565 38.487 -0.071 0.000 0.998 177 N HN 0.314 nan 8.380 nan 0.000 0.424 178 N N 1.594 119.920 118.700 -0.624 0.000 2.058 178 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 178 N C 1.700 177.077 175.510 -0.222 0.000 1.037 178 N CA 1.468 54.191 53.050 -0.543 0.000 0.848 178 N CB 0.004 37.936 38.487 -0.925 0.000 1.021 178 N HN 0.102 nan 8.380 nan 0.000 0.422 179 A N 1.561 124.291 122.820 -0.150 0.000 1.902 179 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 179 A C 2.276 179.839 177.584 -0.036 0.000 1.181 179 A CA 0.948 52.992 52.037 0.012 0.000 0.623 179 A CB -0.429 18.638 19.000 0.112 0.000 0.818 179 A HN 0.338 nan 8.150 nan 0.000 0.443 180 I N -0.144 120.338 120.570 -0.146 0.000 2.233 180 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 180 I C 2.996 178.935 176.117 -0.296 0.000 1.093 180 I CA 1.365 62.523 61.300 -0.237 0.000 1.380 180 I CB -1.694 36.072 38.000 -0.391 0.000 1.067 180 I HN 0.352 nan 8.210 nan 0.000 0.413 181 A N 0.936 123.506 122.820 -0.417 0.000 1.917 181 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 181 A C 2.354 180.014 177.584 0.128 0.000 1.182 181 A CA 1.729 53.695 52.037 -0.118 0.000 0.633 181 A CB -0.501 18.511 19.000 0.019 0.000 0.819 181 A HN 0.287 nan 8.150 nan 0.000 0.448 182 M N -0.239 119.447 119.600 0.143 0.000 2.099 182 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 182 M C 2.366 178.881 176.300 0.359 0.000 1.067 182 M CA 1.879 57.413 55.300 0.389 0.000 1.124 182 M CB -1.196 31.585 32.600 0.303 0.000 1.353 182 M HN 0.711 nan 8.290 nan 0.000 0.410 183 I N -2.369 118.286 120.570 0.142 0.000 2.493 183 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 183 I C 2.021 178.121 176.117 -0.027 0.000 1.160 183 I CA 1.112 62.424 61.300 0.020 0.000 1.445 183 I CB -0.929 37.041 38.000 -0.050 0.000 1.086 183 I HN 0.093 nan 8.210 nan 0.000 0.433 184 C N 2.356 121.685 119.300 0.048 0.000 2.539 184 C HA 0.383 4.843 4.460 -0.000 0.000 0.271 184 C C 1.922 177.005 174.990 0.154 0.000 1.412 184 C CA 0.507 59.585 59.018 0.100 0.000 1.729 184 C CB -1.691 26.174 27.740 0.208 0.000 1.739 184 C HN 0.931 nan 8.230 nan 0.000 0.570 185 G N 1.416 110.291 108.800 0.126 0.000 2.132 185 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.234 185 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.234 185 G C -0.285 174.911 174.900 0.494 0.000 0.989 185 G CA -0.210 44.924 45.100 0.058 0.000 0.676 185 G HN 0.543 nan 8.290 nan 0.000 0.522 186 N N -0.108 118.957 118.700 0.608 0.000 2.492 186 N HA 0.599 5.339 4.740 -0.000 0.000 0.289 186 N C 0.589 176.474 175.510 0.625 0.000 1.133 186 N CA 0.222 53.657 53.050 0.642 0.000 0.961 186 N CB 2.338 41.068 38.487 0.405 0.000 1.186 186 N HN 0.669 nan 8.380 nan 0.000 0.493 187 V N -1.735 118.477 119.914 0.496 0.000 2.863 187 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 187 V C 0.056 176.244 176.094 0.156 0.000 1.061 187 V CA -0.631 61.792 62.300 0.205 0.000 1.024 187 V CB 1.026 32.970 31.823 0.200 0.000 1.049 187 V HN 0.619 nan 8.190 nan 0.000 0.471 188 C N 3.859 123.220 119.300 0.101 0.000 2.561 188 C HA 0.826 5.286 4.460 -0.000 0.000 0.319 188 C C -0.459 174.630 174.990 0.164 0.000 1.198 188 C CA -0.488 58.618 59.018 0.147 0.000 1.665 188 C CB 0.939 28.770 27.740 0.152 0.000 2.258 188 C HN 0.969 nan 8.230 nan 0.000 0.493 189 L N 2.998 124.344 121.223 0.205 0.000 2.406 189 L HA 0.618 4.958 4.340 -0.000 0.000 0.270 189 L C -1.427 175.646 176.870 0.340 0.000 0.982 189 L CA -0.168 54.802 54.840 0.216 0.000 0.843 189 L CB 0.731 42.877 42.059 0.145 0.000 1.225 189 L HN 0.818 nan 8.230 nan 0.000 0.412 190 W N 6.144 127.514 121.300 0.118 0.000 2.391 190 W HA 0.496 5.156 4.660 -0.000 0.000 0.311 190 W C -0.675 175.873 176.519 0.050 0.000 1.087 190 W CA -1.008 56.387 57.345 0.083 0.000 1.209 190 W CB 1.133 30.517 29.460 -0.126 0.000 1.273 190 W HN 0.588 nan 8.180 nan 0.000 0.482 191 K N 5.249 125.831 120.400 0.302 0.000 2.527 191 K HA 0.451 4.771 4.320 -0.000 0.000 0.240 191 K C 0.268 176.843 176.600 -0.042 0.000 0.989 191 K CA -0.354 55.949 56.287 0.026 0.000 0.985 191 K CB 0.365 32.933 32.500 0.112 0.000 1.221 191 K HN 0.705 nan 8.250 nan 0.000 0.458 192 G N 1.723 110.253 108.800 -0.449 0.000 2.621 192 G HA2 0.409 4.369 3.960 -0.000 0.000 0.271 192 G HA3 0.409 4.369 3.960 -0.000 0.000 0.271 192 G C -0.483 174.368 174.900 -0.082 0.000 1.236 192 G CA -0.588 44.367 45.100 -0.241 0.000 0.958 192 G HN 0.690 nan 8.290 nan 0.000 0.512 193 A N 0.398 123.221 122.820 0.004 0.000 2.477 193 A HA 0.456 4.776 4.320 -0.000 0.000 0.246 193 A C -0.833 176.769 177.584 0.030 0.000 1.078 193 A CA -0.695 51.376 52.037 0.057 0.000 0.770 193 A CB 0.390 19.473 19.000 0.139 0.000 1.011 193 A HN 0.391 nan 8.150 nan 0.000 0.494 194 P HA -0.167 nan 4.420 nan 0.000 0.216 194 P C 1.437 178.764 177.300 0.045 0.000 1.150 194 P CA 2.165 65.278 63.100 0.022 0.000 0.843 194 P CB -0.149 31.568 31.700 0.028 0.000 0.787 195 T N -4.927 109.689 114.554 0.104 0.000 3.160 195 T HA -0.000 4.350 4.350 -0.000 0.000 0.257 195 T C 0.961 175.774 174.700 0.188 0.000 1.147 195 T CA 1.144 63.333 62.100 0.147 0.000 1.064 195 T CB -1.235 67.766 68.868 0.221 0.000 0.949 195 T HN 0.213 nan 8.240 nan 0.000 0.526 196 T N -2.096 112.534 114.554 0.126 0.000 3.380 196 T HA 0.391 4.741 4.350 -0.000 0.000 0.289 196 T C 1.410 176.100 174.700 -0.016 0.000 1.012 196 T CA -0.378 61.773 62.100 0.085 0.000 0.944 196 T CB 0.050 68.981 68.868 0.104 0.000 1.172 196 T HN 0.119 nan 8.240 nan 0.000 0.502 197 S N 1.532 117.208 115.700 -0.039 0.000 2.383 197 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 197 S C 1.809 176.349 174.600 -0.100 0.000 1.030 197 S CA 1.128 59.269 58.200 -0.100 0.000 1.002 197 S CB -0.417 62.740 63.200 -0.072 0.000 0.829 197 S HN 0.535 nan 8.310 nan 0.000 0.467 198 L N 0.698 121.882 121.223 -0.065 0.000 2.083 198 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 198 L C 2.166 179.014 176.870 -0.038 0.000 1.083 198 L CA 1.040 55.842 54.840 -0.063 0.000 0.752 198 L CB -0.583 41.433 42.059 -0.071 0.000 0.899 198 L HN 0.290 nan 8.230 nan 0.000 0.433 199 I N -0.761 119.802 120.570 -0.011 0.000 2.226 199 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 199 I C 2.608 178.727 176.117 0.003 0.000 1.100 199 I CA 1.178 62.500 61.300 0.038 0.000 1.374 199 I CB -0.242 37.805 38.000 0.079 0.000 1.057 199 I HN 0.158 nan 8.210 nan 0.000 0.413 200 S N 0.292 115.882 115.700 -0.183 0.000 2.370 200 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 200 S C 2.117 176.557 174.600 -0.268 0.000 1.033 200 S CA 1.319 59.172 58.200 -0.579 0.000 1.011 200 S CB -0.385 62.207 63.200 -1.013 0.000 0.852 200 S HN 0.225 nan 8.310 nan 0.000 0.457 201 V N 2.118 121.961 119.914 -0.119 0.000 2.295 201 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 201 V C 2.699 178.837 176.094 0.072 0.000 1.049 201 V CA 1.754 64.077 62.300 0.038 0.000 1.024 201 V CB -1.295 30.528 31.823 -0.001 0.000 0.648 201 V HN 0.549 nan 8.190 nan 0.000 0.447 202 A N -0.260 122.578 122.820 0.031 0.000 1.883 202 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 202 A C 2.402 180.054 177.584 0.114 0.000 1.186 202 A CA 2.210 54.276 52.037 0.048 0.000 0.624 202 A CB -0.762 18.270 19.000 0.053 0.000 0.822 202 A HN 0.334 nan 8.150 nan 0.000 0.444 203 V N -0.298 119.725 119.914 0.183 0.000 2.295 203 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 203 V C 2.753 179.006 176.094 0.266 0.000 1.049 203 V CA 2.504 64.969 62.300 0.276 0.000 1.024 203 V CB -1.289 30.815 31.823 0.468 0.000 0.648 203 V HN 0.617 nan 8.190 nan 0.000 0.447 204 T N -0.441 114.278 114.554 0.274 0.000 2.720 204 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 204 T C 1.927 176.727 174.700 0.168 0.000 1.037 204 T CA 1.585 63.820 62.100 0.225 0.000 1.144 204 T CB -0.241 68.750 68.868 0.204 0.000 0.864 204 T HN 0.471 nan 8.240 nan 0.000 0.444 205 K N 0.440 120.973 120.400 0.222 0.000 2.103 205 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 205 K C 2.177 178.815 176.600 0.064 0.000 1.048 205 K CA 1.122 57.490 56.287 0.136 0.000 0.930 205 K CB -0.297 32.198 32.500 -0.007 0.000 0.716 205 K HN 0.337 nan 8.250 nan 0.000 0.444 206 I N 0.775 121.388 120.570 0.071 0.000 2.202 206 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 206 I C 2.152 178.294 176.117 0.040 0.000 1.091 206 I CA 1.270 62.597 61.300 0.045 0.000 1.368 206 I CB -0.170 37.856 38.000 0.042 0.000 1.058 206 I HN 0.100 nan 8.210 nan 0.000 0.410 207 I N 0.602 121.214 120.570 0.070 0.000 2.315 207 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 207 I C 2.766 178.905 176.117 0.037 0.000 1.117 207 I CA 1.186 62.527 61.300 0.069 0.000 1.404 207 I CB -0.500 37.586 38.000 0.142 0.000 1.071 207 I HN 0.170 nan 8.210 nan 0.000 0.419 208 A N 0.930 123.740 122.820 -0.015 0.000 1.908 208 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 208 A C 2.280 179.877 177.584 0.021 0.000 1.181 208 A CA 2.148 54.139 52.037 -0.076 0.000 0.627 208 A CB -0.478 18.252 19.000 -0.450 0.000 0.818 208 A HN 0.268 nan 8.150 nan 0.000 0.445 209 K N -0.052 120.363 120.400 0.025 0.000 2.097 209 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 209 K C 1.646 178.269 176.600 0.039 0.000 1.049 209 K CA 1.835 58.145 56.287 0.039 0.000 0.933 209 K CB -0.723 31.794 32.500 0.028 0.000 0.717 209 K HN 0.206 nan 8.250 nan 0.000 0.442 210 V N 1.114 121.047 119.914 0.032 0.000 2.295 210 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 210 V C 2.326 178.445 176.094 0.041 0.000 1.049 210 V CA 1.799 64.119 62.300 0.032 0.000 1.024 210 V CB -0.447 31.391 31.823 0.025 0.000 0.648 210 V HN 0.266 nan 8.190 nan 0.000 0.447 211 L N -0.348 120.899 121.223 0.040 0.000 2.046 211 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 211 L C 2.584 179.488 176.870 0.058 0.000 1.077 211 L CA 1.814 56.676 54.840 0.037 0.000 0.747 211 L CB -0.681 41.394 42.059 0.027 0.000 0.896 211 L HN 0.372 nan 8.230 nan 0.000 0.432 212 E N 0.029 120.274 120.200 0.074 0.000 2.077 212 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 212 E C 1.749 178.384 176.600 0.059 0.000 0.989 212 E CA 1.410 57.857 56.400 0.078 0.000 0.800 212 E CB -0.050 29.709 29.700 0.097 0.000 0.746 212 E HN 0.426 nan 8.360 nan 0.000 0.452 213 D N 0.212 120.643 120.400 0.051 0.000 2.219 213 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 213 D C 1.055 177.381 176.300 0.043 0.000 0.970 213 D CA 0.667 54.692 54.000 0.043 0.000 0.851 213 D CB -0.158 40.663 40.800 0.036 0.000 0.943 213 D HN 0.110 nan 8.370 nan 0.000 0.488 214 N N 0.713 119.444 118.700 0.051 0.000 2.314 214 N HA 0.009 4.749 4.740 -0.000 0.000 0.200 214 N C -0.184 175.361 175.510 0.059 0.000 1.135 214 N CA 0.065 53.150 53.050 0.057 0.000 0.835 214 N CB 0.505 39.036 38.487 0.073 0.000 0.989 214 N HN 0.164 nan 8.380 nan 0.000 0.478 215 K N 0.344 120.776 120.400 0.053 0.000 3.071 215 K HA -0.173 4.147 4.320 -0.000 0.000 0.265 215 K C -0.554 176.079 176.600 0.055 0.000 1.060 215 K CA 0.531 56.848 56.287 0.050 0.000 0.767 215 K CB -1.585 30.940 32.500 0.042 0.000 1.241 215 K HN 0.267 nan 8.250 nan 0.000 0.486 216 L N 0.884 122.142 121.223 0.059 0.000 2.344 216 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 216 L C -1.727 175.160 176.870 0.028 0.000 1.035 216 L CA -2.447 52.427 54.840 0.056 0.000 0.807 216 L CB 0.834 42.931 42.059 0.063 0.000 1.237 216 L HN -0.123 nan 8.230 nan 0.000 0.442 217 P HA 0.012 nan 4.420 nan 0.000 0.267 217 P C 0.500 177.773 177.300 -0.045 0.000 1.209 217 P CA -0.039 63.050 63.100 -0.018 0.000 0.763 217 P CB 0.910 32.599 31.700 -0.018 0.000 0.816 218 G N 2.934 111.710 108.800 -0.041 0.000 2.484 218 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 218 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 218 G C 1.426 176.266 174.900 -0.100 0.000 1.130 218 G CA 0.576 45.691 45.100 0.024 0.000 0.784 218 G HN 0.592 nan 8.290 nan 0.000 0.543 219 A N 0.603 123.301 122.820 -0.203 0.000 2.225 219 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 219 A C 2.172 179.695 177.584 -0.100 0.000 1.164 219 A CA 0.528 52.457 52.037 -0.180 0.000 0.710 219 A CB -0.334 18.569 19.000 -0.163 0.000 0.780 219 A HN 0.411 nan 8.150 nan 0.000 0.473 220 I N -1.030 119.457 120.570 -0.138 0.000 2.335 220 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 220 I C 0.309 176.334 176.117 -0.153 0.000 1.129 220 I CA 0.668 61.815 61.300 -0.254 0.000 1.402 220 I CB -0.184 37.457 38.000 -0.598 0.000 1.069 220 I HN 0.319 nan 8.210 nan 0.000 0.424 221 C N 0.937 120.214 119.300 -0.037 0.000 3.003 221 C HA 0.390 4.850 4.460 -0.000 0.000 0.241 221 C C 0.613 175.704 174.990 0.167 0.000 1.224 221 C CA -0.926 58.152 59.018 0.100 0.000 1.560 221 C CB -0.679 27.146 27.740 0.142 0.000 1.768 221 C HN 0.167 nan 8.230 nan 0.000 0.440 222 S N 1.585 117.350 115.700 0.108 0.000 2.601 222 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 222 S C -0.395 174.288 174.600 0.139 0.000 1.305 222 S CA -0.292 57.944 58.200 0.061 0.000 1.022 222 S CB 1.075 64.259 63.200 -0.027 0.000 0.940 222 S HN 0.609 nan 8.310 nan 0.000 0.525 223 L N 2.671 123.934 121.223 0.067 0.000 2.409 223 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 223 L C -0.512 176.363 176.870 0.009 0.000 0.980 223 L CA -0.081 54.790 54.840 0.052 0.000 0.826 223 L CB 1.880 43.940 42.059 0.001 0.000 1.268 223 L HN 0.729 nan 8.230 nan 0.000 0.407 224 T N 1.154 115.727 114.554 0.032 0.000 3.068 224 T HA 0.378 4.728 4.350 -0.000 0.000 0.364 224 T C -0.022 174.684 174.700 0.010 0.000 1.161 224 T CA -0.465 61.665 62.100 0.051 0.000 1.155 224 T CB -0.207 68.752 68.868 0.153 0.000 1.060 224 T HN 0.629 nan 8.240 nan 0.000 0.513 225 C N 2.899 122.179 119.300 -0.034 0.000 2.642 225 C HA 0.745 5.205 4.460 -0.000 0.000 0.420 225 C C 1.488 176.466 174.990 -0.020 0.000 1.349 225 C CA 0.796 59.773 59.018 -0.068 0.000 1.821 225 C CB -0.773 26.924 27.740 -0.071 0.000 2.637 225 C HN 1.276 nan 8.230 nan 0.000 0.605 226 G N 1.854 110.639 108.800 -0.025 0.000 2.320 226 G HA2 0.580 4.540 3.960 -0.000 0.000 0.296 226 G HA3 0.580 4.540 3.960 -0.000 0.000 0.296 226 G C -0.504 174.398 174.900 0.002 0.000 1.306 226 G CA 0.105 45.203 45.100 -0.004 0.000 0.836 226 G HN 0.993 nan 8.290 nan 0.000 0.517 227 G N -1.299 107.506 108.800 0.009 0.000 3.194 227 G HA2 0.660 4.620 3.960 -0.000 0.000 0.160 227 G HA3 0.660 4.620 3.960 -0.000 0.000 0.160 227 G C 1.549 176.467 174.900 0.029 0.000 1.267 227 G CA 0.906 46.020 45.100 0.024 0.000 0.962 227 G HN 1.648 nan 8.290 nan 0.000 0.612 228 A N -0.250 122.588 122.820 0.030 0.000 1.978 228 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 228 A C 1.941 179.522 177.584 -0.005 0.000 1.170 228 A CA 2.406 54.459 52.037 0.028 0.000 0.636 228 A CB -0.611 18.404 19.000 0.025 0.000 0.810 228 A HN 0.434 nan 8.150 nan 0.000 0.448 229 D N 0.096 120.484 120.400 -0.021 0.000 2.092 229 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 229 D C 1.848 178.086 176.300 -0.102 0.000 0.994 229 D CA 1.135 55.104 54.000 -0.053 0.000 0.828 229 D CB -0.238 40.535 40.800 -0.045 0.000 0.963 229 D HN 0.348 nan 8.370 nan 0.000 0.450 230 I N 0.691 121.206 120.570 -0.093 0.000 2.353 230 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 230 I C 2.458 178.504 176.117 -0.119 0.000 1.119 230 I CA 0.973 62.177 61.300 -0.160 0.000 1.417 230 I CB -1.354 36.611 38.000 -0.059 0.000 1.078 230 I HN -0.010 nan 8.210 nan 0.000 0.421 231 G N 0.466 109.258 108.800 -0.014 0.000 2.418 231 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 231 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 231 G C 1.670 176.574 174.900 0.007 0.000 1.158 231 G CA 1.340 46.471 45.100 0.052 0.000 0.771 231 G HN 0.305 nan 8.290 nan 0.000 0.545 232 T N 1.681 116.213 114.554 -0.036 0.000 2.746 232 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 232 T C 2.834 177.482 174.700 -0.087 0.000 1.039 232 T CA 1.457 63.523 62.100 -0.056 0.000 1.142 232 T CB -0.407 68.427 68.868 -0.056 0.000 0.866 232 T HN 0.379 nan 8.240 nan 0.000 0.444 233 A N 1.613 124.330 122.820 -0.171 0.000 1.892 233 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 233 A C 2.335 179.838 177.584 -0.136 0.000 1.188 233 A CA 1.973 53.851 52.037 -0.266 0.000 0.631 233 A CB -0.794 17.799 19.000 -0.677 0.000 0.822 233 A HN 0.485 nan 8.150 nan 0.000 0.447 234 M N -0.614 118.937 119.600 -0.082 0.000 2.117 234 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 234 M C 2.504 178.854 176.300 0.083 0.000 1.065 234 M CA 1.538 56.907 55.300 0.115 0.000 1.114 234 M CB -0.432 32.270 32.600 0.171 0.000 1.361 234 M HN 0.470 nan 8.290 nan 0.000 0.408 235 A N 0.382 123.222 122.820 0.034 0.000 1.972 235 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 235 A C 2.031 179.613 177.584 -0.003 0.000 1.169 235 A CA 1.624 53.664 52.037 0.006 0.000 0.635 235 A CB -0.463 18.514 19.000 -0.038 0.000 0.810 235 A HN 0.477 nan 8.150 nan 0.000 0.446 236 K N -0.522 119.876 120.400 -0.003 0.000 2.393 236 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 236 K C -0.337 176.280 176.600 0.028 0.000 1.026 236 K CA 0.063 56.349 56.287 -0.002 0.000 1.064 236 K CB 0.230 32.720 32.500 -0.017 0.000 0.833 236 K HN 0.289 nan 8.250 nan 0.000 0.521 237 D N 2.009 122.446 120.400 0.062 0.000 2.339 237 D HA 0.022 4.661 4.640 -0.000 0.000 0.241 237 D C 0.438 176.780 176.300 0.071 0.000 1.183 237 D CA 0.124 54.182 54.000 0.098 0.000 0.859 237 D CB 0.931 41.847 40.800 0.194 0.000 1.067 237 D HN 0.054 nan 8.370 nan 0.000 0.484 238 E N 2.383 122.614 120.200 0.053 0.000 2.333 238 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 238 E C 1.325 177.940 176.600 0.026 0.000 1.007 238 E CA 0.633 57.057 56.400 0.039 0.000 0.845 238 E CB 0.299 30.020 29.700 0.036 0.000 0.766 238 E HN 0.432 nan 8.360 nan 0.000 0.507 239 R N 0.342 120.860 120.500 0.029 0.000 2.276 239 R HA 0.018 4.358 4.340 -0.000 0.000 0.203 239 R C 0.279 176.577 176.300 -0.003 0.000 1.017 239 R CA 0.191 56.291 56.100 0.000 0.000 1.010 239 R CB 0.330 30.628 30.300 -0.003 0.000 0.900 239 R HN -0.080 nan 8.270 nan 0.000 0.469 240 V N 2.410 122.345 119.914 0.035 0.000 2.339 240 V HA 0.055 4.175 4.120 -0.000 0.000 0.261 240 V C 0.282 176.394 176.094 0.030 0.000 1.058 240 V CA -0.166 62.162 62.300 0.047 0.000 0.897 240 V CB 0.984 32.867 31.823 0.100 0.000 1.052 240 V HN 0.257 nan 8.190 nan 0.000 0.480 241 N N 3.357 122.058 118.700 0.002 0.000 2.216 241 N HA 0.032 4.772 4.740 -0.000 0.000 0.183 241 N C 0.158 175.681 175.510 0.022 0.000 1.017 241 N CA 0.586 53.632 53.050 -0.006 0.000 0.861 241 N CB 0.185 38.641 38.487 -0.053 0.000 0.986 241 N HN 0.531 nan 8.380 nan 0.000 0.428 242 L N 0.418 121.665 121.223 0.039 0.000 2.385 242 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 242 L C -1.799 175.112 176.870 0.069 0.000 0.990 242 L CA -0.982 53.882 54.840 0.040 0.000 0.821 242 L CB 1.634 43.710 42.059 0.028 0.000 1.279 242 L HN -0.101 nan 8.230 nan 0.000 0.412 243 L N 4.078 125.341 121.223 0.067 0.000 2.294 243 L HA 0.569 4.909 4.340 -0.000 0.000 0.283 243 L C -0.389 176.552 176.870 0.119 0.000 1.015 243 L CA 0.203 55.109 54.840 0.111 0.000 0.831 243 L CB 1.371 43.497 42.059 0.111 0.000 1.217 243 L HN 0.720 nan 8.230 nan 0.000 0.420 244 S N 5.513 121.299 115.700 0.144 0.000 2.430 244 S HA 0.486 4.956 4.470 -0.000 0.000 0.289 244 S C -0.837 173.894 174.600 0.219 0.000 1.143 244 S CA -0.356 57.934 58.200 0.149 0.000 1.067 244 S CB -0.150 63.137 63.200 0.145 0.000 0.964 244 S HN 0.439 nan 8.310 nan 0.000 0.485 245 F N 4.521 124.518 119.950 0.079 0.000 2.477 245 F HA 0.531 5.058 4.527 -0.000 0.000 0.335 245 F C -0.339 175.515 175.800 0.090 0.000 1.130 245 F CA -0.277 57.775 58.000 0.086 0.000 0.948 245 F CB 1.773 40.809 39.000 0.059 0.000 1.154 245 F HN 0.412 nan 8.300 nan 0.000 0.439 246 T N 4.918 119.144 114.554 -0.547 0.000 2.786 246 T HA 0.795 5.145 4.350 -0.000 0.000 0.283 246 T C -0.090 174.196 174.700 -0.690 0.000 0.992 246 T CA -0.378 61.499 62.100 -0.371 0.000 0.954 246 T CB 1.112 69.916 68.868 -0.106 0.000 0.934 246 T HN 1.062 nan 8.240 nan 0.000 0.440 247 G N 1.705 110.283 108.800 -0.370 0.000 2.323 247 G HA2 0.464 4.424 3.960 -0.000 0.000 0.291 247 G HA3 0.464 4.424 3.960 -0.000 0.000 0.291 247 G C -0.604 174.364 174.900 0.113 0.000 1.278 247 G CA -0.483 44.488 45.100 -0.215 0.000 0.860 247 G HN 0.855 nan 8.290 nan 0.000 0.504 248 S N -0.816 114.983 115.700 0.165 0.000 2.584 248 S HA 0.400 4.870 4.470 -0.000 0.000 0.270 248 S C 1.366 176.080 174.600 0.190 0.000 1.346 248 S CA 0.987 59.263 58.200 0.126 0.000 1.018 248 S CB 1.275 64.529 63.200 0.090 0.000 0.899 248 S HN 0.811 nan 8.310 nan 0.000 0.542 249 T N 1.212 115.844 114.554 0.130 0.000 2.788 249 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 249 T C 1.855 176.582 174.700 0.046 0.000 1.044 249 T CA 1.799 63.959 62.100 0.100 0.000 1.139 249 T CB -0.455 68.489 68.868 0.127 0.000 0.867 249 T HN 0.787 nan 8.240 nan 0.000 0.454 250 Q N 0.399 120.234 119.800 0.058 0.000 2.020 250 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 250 Q C 2.322 178.314 176.000 -0.013 0.000 0.982 250 Q CA 1.551 57.370 55.803 0.026 0.000 0.838 250 Q CB -0.190 28.577 28.738 0.048 0.000 0.899 250 Q HN 0.356 nan 8.270 nan 0.000 0.423 251 V N 0.256 120.181 119.914 0.018 0.000 2.358 251 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 251 V C 2.311 178.208 176.094 -0.328 0.000 1.047 251 V CA 1.775 64.040 62.300 -0.058 0.000 1.035 251 V CB -1.101 30.797 31.823 0.124 0.000 0.658 251 V HN 0.641 nan 8.190 nan 0.000 0.452 252 G N -0.297 108.320 108.800 -0.306 0.000 2.442 252 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 252 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 252 G C 1.626 176.342 174.900 -0.307 0.000 1.141 252 G CA 1.140 45.942 45.100 -0.497 0.000 0.763 252 G HN 0.507 nan 8.290 nan 0.000 0.554 253 K N -0.251 120.037 120.400 -0.186 0.000 2.026 253 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 253 K C 2.607 179.105 176.600 -0.171 0.000 1.048 253 K CA 1.375 57.564 56.287 -0.163 0.000 0.929 253 K CB -0.101 32.319 32.500 -0.135 0.000 0.713 253 K HN 0.168 nan 8.250 nan 0.000 0.439 254 Q N 0.360 120.054 119.800 -0.177 0.000 2.084 254 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 254 Q C 2.298 178.182 176.000 -0.193 0.000 0.978 254 Q CA 1.243 56.950 55.803 -0.160 0.000 0.844 254 Q CB -0.456 28.204 28.738 -0.130 0.000 0.898 254 Q HN 0.206 nan 8.270 nan 0.000 0.426 255 V N 0.734 120.469 119.914 -0.298 0.000 2.295 255 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 255 V C 2.347 178.319 176.094 -0.203 0.000 1.049 255 V CA 2.028 64.149 62.300 -0.298 0.000 1.024 255 V CB -1.295 30.191 31.823 -0.562 0.000 0.648 255 V HN 0.462 nan 8.190 nan 0.000 0.447 256 G N -0.419 108.259 108.800 -0.204 0.000 2.422 256 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 256 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 256 G C 1.599 176.426 174.900 -0.122 0.000 1.146 256 G CA 0.937 45.956 45.100 -0.136 0.000 0.769 256 G HN 0.466 nan 8.290 nan 0.000 0.547 257 L N -0.318 120.828 121.223 -0.128 0.000 2.056 257 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 257 L C 3.090 179.888 176.870 -0.119 0.000 1.078 257 L CA 1.040 55.808 54.840 -0.120 0.000 0.749 257 L CB -0.298 41.696 42.059 -0.108 0.000 0.901 257 L HN 0.219 nan 8.230 nan 0.000 0.433 258 M N -1.193 118.341 119.600 -0.110 0.000 2.175 258 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 258 M C 2.235 178.482 176.300 -0.088 0.000 1.063 258 M CA 1.250 56.494 55.300 -0.093 0.000 1.119 258 M CB -0.260 32.292 32.600 -0.081 0.000 1.377 258 M HN 0.081 nan 8.290 nan 0.000 0.415 259 V N -0.079 119.784 119.914 -0.086 0.000 2.379 259 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 259 V C 2.282 178.314 176.094 -0.103 0.000 1.044 259 V CA 1.874 64.135 62.300 -0.065 0.000 1.036 259 V CB -0.710 31.088 31.823 -0.043 0.000 0.664 259 V HN 0.440 nan 8.190 nan 0.000 0.453 260 Q N 0.912 120.627 119.800 -0.142 0.000 2.135 260 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 260 Q C 2.041 177.812 176.000 -0.382 0.000 0.981 260 Q CA 2.264 57.926 55.803 -0.235 0.000 0.856 260 Q CB -0.397 28.221 28.738 -0.200 0.000 0.902 260 Q HN 0.681 nan 8.270 nan 0.000 0.425 261 E N 0.578 120.621 120.200 -0.262 0.000 2.160 261 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 261 E C 1.233 177.689 176.600 -0.240 0.000 0.991 261 E CA 1.733 57.981 56.400 -0.253 0.000 0.810 261 E CB -0.156 29.459 29.700 -0.141 0.000 0.742 261 E HN 0.579 nan 8.360 nan 0.000 0.466 262 R N -0.952 119.456 120.500 -0.154 0.000 2.427 262 R HA 0.171 4.511 4.340 -0.000 0.000 0.262 262 R C -0.228 176.130 176.300 0.098 0.000 0.943 262 R CA 0.065 56.154 56.100 -0.019 0.000 1.081 262 R CB -0.611 29.693 30.300 0.007 0.000 1.166 262 R HN -0.041 nan 8.270 nan 0.000 0.534 263 F N 0.878 120.820 119.950 -0.013 0.000 3.048 263 F HA -0.243 4.284 4.527 -0.000 0.000 0.269 263 F C 1.016 176.808 175.800 -0.013 0.000 0.960 263 F CA 0.979 58.970 58.000 -0.014 0.000 0.909 263 F CB -1.568 37.424 39.000 -0.013 0.000 0.837 263 F HN 0.424 nan 8.300 nan 0.000 0.768 264 G N 0.120 108.977 108.800 0.095 0.000 2.525 264 G HA2 0.682 4.642 3.960 -0.000 0.000 0.287 264 G HA3 0.682 4.642 3.960 -0.000 0.000 0.287 264 G C -0.223 174.707 174.900 0.050 0.000 1.350 264 G CA -1.049 44.089 45.100 0.064 0.000 1.039 264 G HN 0.258 nan 8.290 nan 0.000 0.513 265 R N -0.504 120.015 120.500 0.032 0.000 2.514 265 R HA 0.541 4.881 4.340 -0.000 0.000 0.301 265 R C -0.382 175.921 176.300 0.005 0.000 0.962 265 R CA -0.452 55.658 56.100 0.017 0.000 0.882 265 R CB 1.907 32.213 30.300 0.011 0.000 1.143 265 R HN 0.631 nan 8.270 nan 0.000 0.452 266 S N 2.432 118.128 115.700 -0.007 0.000 2.566 266 S HA 0.576 5.046 4.470 -0.000 0.000 0.298 266 S C -0.698 173.893 174.600 -0.016 0.000 1.083 266 S CA -0.960 57.240 58.200 -0.001 0.000 0.978 266 S CB 1.558 64.755 63.200 -0.006 0.000 1.073 266 S HN 0.554 nan 8.310 nan 0.000 0.491 267 L N 2.902 124.126 121.223 0.002 0.000 2.388 267 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 267 L C -1.764 175.150 176.870 0.075 0.000 0.995 267 L CA -0.792 54.041 54.840 -0.011 0.000 0.864 267 L CB 0.666 42.670 42.059 -0.092 0.000 1.216 267 L HN 0.727 nan 8.230 nan 0.000 0.430 268 L N 4.769 126.038 121.223 0.075 0.000 2.296 268 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 268 L C -0.333 176.613 176.870 0.126 0.000 1.023 268 L CA -0.526 54.399 54.840 0.141 0.000 0.812 268 L CB 1.588 43.701 42.059 0.090 0.000 1.223 268 L HN 0.516 nan 8.230 nan 0.000 0.421 269 E N 5.843 126.149 120.200 0.178 0.000 2.437 269 E HA 0.444 4.794 4.350 -0.000 0.000 0.238 269 E C -0.631 176.062 176.600 0.155 0.000 0.969 269 E CA -0.140 56.347 56.400 0.146 0.000 0.759 269 E CB 1.900 31.707 29.700 0.177 0.000 1.283 269 E HN 0.526 nan 8.360 nan 0.000 0.416 270 L N -0.324 120.983 121.223 0.140 0.000 2.755 270 L HA 0.653 4.993 4.340 -0.000 0.000 0.243 270 L C 1.174 178.119 176.870 0.126 0.000 1.579 270 L CA -1.241 53.691 54.840 0.154 0.000 1.669 270 L CB 0.017 42.171 42.059 0.159 0.000 2.294 270 L HN 0.323 nan 8.230 nan 0.000 0.588 271 G N -1.267 107.610 108.800 0.128 0.000 2.599 271 G HA2 0.508 4.468 3.960 -0.000 0.000 0.264 271 G HA3 0.508 4.468 3.960 -0.000 0.000 0.264 271 G C -0.556 174.433 174.900 0.149 0.000 1.200 271 G CA 0.117 45.299 45.100 0.137 0.000 0.896 271 G HN 0.707 nan 8.290 nan 0.000 0.536 272 G N -1.091 107.821 108.800 0.188 0.000 2.605 272 G HA2 0.451 4.411 3.960 -0.000 0.000 0.296 272 G HA3 0.451 4.411 3.960 -0.000 0.000 0.296 272 G C -0.999 174.015 174.900 0.190 0.000 1.304 272 G CA -0.591 44.611 45.100 0.171 0.000 0.941 272 G HN 0.651 nan 8.290 nan 0.000 0.475 273 N N 0.302 119.099 118.700 0.161 0.000 2.700 273 N HA 0.071 4.811 4.740 -0.000 0.000 0.242 273 N C -1.026 174.596 175.510 0.187 0.000 1.541 273 N CA -0.531 52.626 53.050 0.179 0.000 0.764 273 N CB 0.174 38.743 38.487 0.137 0.000 1.319 273 N HN 0.443 nan 8.380 nan 0.000 0.518 274 N N 0.582 119.402 118.700 0.200 0.000 2.499 274 N HA 0.422 5.162 4.740 -0.000 0.000 0.281 274 N C -0.378 175.289 175.510 0.261 0.000 1.098 274 N CA -0.149 53.024 53.050 0.205 0.000 0.979 274 N CB 1.865 40.464 38.487 0.187 0.000 1.121 274 N HN 0.395 nan 8.380 nan 0.000 0.466 275 A N 2.476 125.480 122.820 0.306 0.000 2.325 275 A HA 0.660 4.980 4.320 -0.000 0.000 0.333 275 A C -0.027 177.783 177.584 0.377 0.000 1.155 275 A CA -0.666 51.613 52.037 0.404 0.000 0.814 275 A CB 0.685 20.016 19.000 0.550 0.000 1.206 275 A HN 0.670 nan 8.150 nan 0.000 0.482 276 I N 2.084 122.882 120.570 0.380 0.000 2.404 276 I HA 0.369 4.539 4.170 -0.000 0.000 0.293 276 I C -0.840 175.501 176.117 0.373 0.000 0.992 276 I CA -0.305 61.212 61.300 0.362 0.000 1.149 276 I CB 1.645 39.827 38.000 0.302 0.000 1.315 276 I HN 0.483 nan 8.210 nan 0.000 0.446 277 I N 5.764 126.504 120.570 0.283 0.000 2.382 277 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 277 I C 0.028 176.288 176.117 0.238 0.000 1.002 277 I CA -0.479 60.922 61.300 0.167 0.000 1.135 277 I CB 1.786 39.704 38.000 -0.137 0.000 1.288 277 I HN 0.562 nan 8.210 nan 0.000 0.448 278 A N 7.082 130.061 122.820 0.265 0.000 2.256 278 A HA 0.686 5.006 4.320 -0.000 0.000 0.317 278 A C -0.660 177.086 177.584 0.269 0.000 1.318 278 A CA -0.301 51.906 52.037 0.284 0.000 0.894 278 A CB 0.066 19.163 19.000 0.162 0.000 1.165 278 A HN 0.537 nan 8.150 nan 0.000 0.525 279 F N 0.452 120.606 119.950 0.340 0.000 2.378 279 F HA 0.215 4.742 4.527 -0.000 0.000 0.319 279 F C 1.780 177.628 175.800 0.080 0.000 1.155 279 F CA 0.257 58.422 58.000 0.274 0.000 1.157 279 F CB 0.885 39.991 39.000 0.176 0.000 1.252 279 F HN 0.823 nan 8.300 nan 0.000 0.550 280 E N 0.570 120.798 120.200 0.046 0.000 2.209 280 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 280 E C 1.226 177.835 176.600 0.015 0.000 0.993 280 E CA 1.610 57.946 56.400 -0.106 0.000 0.819 280 E CB -0.103 29.355 29.700 -0.403 0.000 0.745 280 E HN 0.691 nan 8.360 nan 0.000 0.477 281 D N -0.042 120.401 120.400 0.071 0.000 2.328 281 D HA 0.053 4.693 4.640 -0.000 0.000 0.226 281 D C 0.197 176.559 176.300 0.103 0.000 1.066 281 D CA 0.167 54.205 54.000 0.065 0.000 0.861 281 D CB -0.119 40.705 40.800 0.040 0.000 0.912 281 D HN 0.167 nan 8.370 nan 0.000 0.521 282 A N 0.692 123.606 122.820 0.157 0.000 2.483 282 A HA 0.129 4.449 4.320 -0.000 0.000 0.238 282 A C 0.218 177.880 177.584 0.130 0.000 1.070 282 A CA -0.264 51.886 52.037 0.189 0.000 0.770 282 A CB 0.214 19.366 19.000 0.254 0.000 1.008 282 A HN 0.119 nan 8.150 nan 0.000 0.497 283 D N 2.132 122.618 120.400 0.143 0.000 2.344 283 D HA 0.151 4.791 4.640 -0.000 0.000 0.253 283 D C 1.008 177.353 176.300 0.075 0.000 1.255 283 D CA 0.043 54.104 54.000 0.101 0.000 0.894 283 D CB 0.194 41.060 40.800 0.111 0.000 1.067 283 D HN 0.440 nan 8.370 nan 0.000 0.492 284 L N 2.870 124.118 121.223 0.041 0.000 2.201 284 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 284 L C 2.333 179.200 176.870 -0.005 0.000 1.105 284 L CA 1.007 55.851 54.840 0.006 0.000 0.775 284 L CB -0.492 41.569 42.059 0.004 0.000 0.913 284 L HN 0.405 nan 8.230 nan 0.000 0.440 285 S N -0.300 115.410 115.700 0.015 0.000 2.515 285 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 285 S C 1.729 176.342 174.600 0.022 0.000 0.987 285 S CA 0.561 58.770 58.200 0.014 0.000 0.936 285 S CB -0.115 63.097 63.200 0.020 0.000 0.766 285 S HN 0.339 nan 8.310 nan 0.000 0.528 286 L N 0.987 122.234 121.223 0.040 0.000 2.286 286 L HA 0.358 4.698 4.340 -0.000 0.000 0.203 286 L C 2.350 179.199 176.870 -0.034 0.000 1.068 286 L CA 0.922 55.806 54.840 0.074 0.000 0.811 286 L CB -0.568 41.603 42.059 0.187 0.000 0.989 286 L HN 0.145 nan 8.230 nan 0.000 0.467 287 V N -0.690 119.128 119.914 -0.160 0.000 2.287 287 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 287 V C 2.473 178.406 176.094 -0.269 0.000 1.053 287 V CA 1.879 63.907 62.300 -0.453 0.000 1.027 287 V CB -0.615 31.012 31.823 -0.327 0.000 0.646 287 V HN 0.316 nan 8.190 nan 0.000 0.447 288 V N 0.804 120.642 119.914 -0.126 0.000 2.244 288 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 288 V C 0.306 176.385 176.094 -0.026 0.000 1.042 288 V CA 2.559 64.816 62.300 -0.071 0.000 1.006 288 V CB -1.897 29.899 31.823 -0.046 0.000 0.641 288 V HN 0.535 nan 8.190 nan 0.000 0.446 289 P HA -0.090 nan 4.420 nan 0.000 0.218 289 P C 1.854 179.202 177.300 0.081 0.000 1.149 289 P CA 1.549 64.670 63.100 0.035 0.000 0.817 289 P CB -0.062 31.653 31.700 0.025 0.000 0.785 290 S N 0.368 116.100 115.700 0.053 0.000 2.356 290 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 290 S C 2.229 176.917 174.600 0.147 0.000 1.032 290 S CA 1.496 59.779 58.200 0.138 0.000 1.005 290 S CB -1.032 62.257 63.200 0.148 0.000 0.867 290 S HN 0.205 nan 8.310 nan 0.000 0.449 291 A N 1.305 124.134 122.820 0.015 0.000 1.902 291 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 291 A C 2.147 179.794 177.584 0.105 0.000 1.181 291 A CA 1.438 53.501 52.037 0.043 0.000 0.623 291 A CB -0.749 18.232 19.000 -0.031 0.000 0.818 291 A HN 0.424 nan 8.150 nan 0.000 0.443 292 L N -1.429 119.861 121.223 0.112 0.000 1.989 292 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 292 L C 2.252 179.166 176.870 0.074 0.000 1.071 292 L CA 2.608 57.508 54.840 0.099 0.000 0.749 292 L CB -0.724 41.376 42.059 0.068 0.000 0.890 292 L HN 0.413 nan 8.230 nan 0.000 0.431 293 F N 0.520 120.476 119.950 0.010 0.000 2.095 293 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 293 F C 2.254 178.084 175.800 0.050 0.000 1.104 293 F CA 1.758 59.773 58.000 0.026 0.000 1.232 293 F CB -0.730 38.299 39.000 0.048 0.000 0.987 293 F HN 0.175 nan 8.300 nan 0.000 0.475 294 A N 0.104 122.960 122.820 0.060 0.000 1.930 294 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 294 A C 2.345 179.900 177.584 -0.049 0.000 1.175 294 A CA 1.619 53.653 52.037 -0.004 0.000 0.627 294 A CB -1.432 17.673 19.000 0.176 0.000 0.815 294 A HN 0.514 nan 8.150 nan 0.000 0.443 295 A N -0.545 122.272 122.820 -0.004 0.000 1.898 295 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 295 A C 2.145 179.698 177.584 -0.052 0.000 1.183 295 A CA 1.830 53.874 52.037 0.011 0.000 0.622 295 A CB -0.670 18.393 19.000 0.105 0.000 0.824 295 A HN 1.182 nan 8.150 nan 0.000 0.444 296 V N -2.770 117.074 119.914 -0.117 0.000 3.621 296 V HA 0.420 4.540 4.120 -0.000 0.000 0.263 296 V C 1.172 177.209 176.094 -0.096 0.000 1.272 296 V CA 0.407 62.637 62.300 -0.115 0.000 1.080 296 V CB -0.939 30.713 31.823 -0.285 0.000 0.816 296 V HN 0.457 nan 8.190 nan 0.000 0.451 297 G N 0.853 109.503 108.800 -0.250 0.000 2.321 297 G HA2 0.330 4.290 3.960 -0.000 0.000 0.237 297 G HA3 0.330 4.290 3.960 -0.000 0.000 0.237 297 G C 0.659 175.417 174.900 -0.238 0.000 1.282 297 G CA 1.005 45.906 45.100 -0.333 0.000 0.886 297 G HN 1.086 nan 8.290 nan 0.000 0.528 298 T N -0.064 114.378 114.554 -0.186 0.000 4.331 298 T HA -0.148 4.202 4.350 -0.000 0.000 0.323 298 T C 1.427 175.987 174.700 -0.233 0.000 0.836 298 T CA 1.537 63.516 62.100 -0.202 0.000 1.985 298 T CB -1.973 66.767 68.868 -0.215 0.000 1.919 298 T HN 2.630 nan 8.240 nan 0.000 0.905 299 A N -0.929 121.744 122.820 -0.246 0.000 2.704 299 A HA 0.175 4.495 4.320 -0.000 0.000 0.299 299 A C 2.205 179.693 177.584 -0.159 0.000 1.507 299 A CA 1.545 53.425 52.037 -0.262 0.000 0.776 299 A CB -1.992 16.680 19.000 -0.547 0.000 1.027 299 A HN 2.689 nan 8.150 nan 0.000 0.475 300 G N -2.161 106.547 108.800 -0.153 0.000 2.153 300 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 300 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 300 G C 0.177 174.835 174.900 -0.403 0.000 0.994 300 G CA 0.889 45.879 45.100 -0.183 0.000 0.698 300 G HN 1.408 nan 8.290 nan 0.000 0.521 301 Q N -0.519 119.010 119.800 -0.452 0.000 2.206 301 Q HA 0.248 4.588 4.340 -0.000 0.000 0.265 301 Q C 0.873 176.580 176.000 -0.489 0.000 0.866 301 Q CA -0.315 55.014 55.803 -0.791 0.000 1.073 301 Q CB 0.727 29.313 28.738 -0.253 0.000 1.165 301 Q HN 0.507 nan 8.270 nan 0.000 0.465 302 R N 0.046 120.397 120.500 -0.248 0.000 2.486 302 R HA 0.188 4.528 4.340 -0.000 0.000 0.286 302 R C 1.239 177.711 176.300 0.288 0.000 0.999 302 R CA -0.258 55.950 56.100 0.181 0.000 0.993 302 R CB 0.958 31.399 30.300 0.235 0.000 1.084 302 R HN 0.357 nan 8.270 nan 0.000 0.487 303 C N -1.069 118.531 119.300 0.500 0.000 2.419 303 C HA -0.085 4.375 4.460 -0.000 0.000 0.281 303 C C 2.053 177.236 174.990 0.321 0.000 1.336 303 C CA 0.785 60.077 59.018 0.457 0.000 1.770 303 C CB -1.370 26.593 27.740 0.370 0.000 1.929 303 C HN 0.880 nan 8.230 nan 0.000 0.509 304 T N -2.419 112.305 114.554 0.283 0.000 3.188 304 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 304 T C 0.415 175.218 174.700 0.172 0.000 1.077 304 T CA 0.144 62.380 62.100 0.227 0.000 0.967 304 T CB -0.739 68.282 68.868 0.255 0.000 1.006 304 T HN 0.493 nan 8.240 nan 0.000 0.552 305 T N 3.364 117.996 114.554 0.131 0.000 2.946 305 T HA 0.438 4.788 4.350 -0.000 0.000 0.311 305 T C 0.597 175.362 174.700 0.108 0.000 1.063 305 T CA -0.090 62.047 62.100 0.062 0.000 1.139 305 T CB 0.332 69.181 68.868 -0.032 0.000 0.994 305 T HN 0.580 nan 8.240 nan 0.000 0.547 306 A N 3.685 126.567 122.820 0.103 0.000 2.404 306 A HA 0.304 4.624 4.320 -0.000 0.000 0.273 306 A C 1.162 178.825 177.584 0.131 0.000 1.144 306 A CA -0.322 51.802 52.037 0.145 0.000 0.806 306 A CB 0.188 19.279 19.000 0.151 0.000 1.080 306 A HN 0.948 nan 8.150 nan 0.000 0.509 307 R N 1.397 122.004 120.500 0.179 0.000 2.394 307 R HA 0.137 4.477 4.340 -0.000 0.000 0.220 307 R C -0.131 176.330 176.300 0.268 0.000 0.887 307 R CA 0.236 56.454 56.100 0.197 0.000 1.034 307 R CB 0.615 31.068 30.300 0.255 0.000 1.179 307 R HN 0.690 nan 8.270 nan 0.000 0.561 308 R N 1.210 121.880 120.500 0.283 0.000 2.561 308 R HA 0.375 4.715 4.340 -0.000 0.000 0.297 308 R C -1.566 174.860 176.300 0.210 0.000 0.969 308 R CA -0.837 55.444 56.100 0.302 0.000 0.879 308 R CB 2.243 32.796 30.300 0.422 0.000 1.178 308 R HN -0.152 nan 8.270 nan 0.000 0.445 309 L N 4.049 125.303 121.223 0.052 0.000 2.372 309 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 309 L C -1.628 175.277 176.870 0.057 0.000 0.989 309 L CA -0.367 54.529 54.840 0.092 0.000 0.841 309 L CB 0.834 42.908 42.059 0.025 0.000 1.225 309 L HN 0.451 nan 8.230 nan 0.000 0.414 310 F N 5.995 126.156 119.950 0.352 0.000 2.410 310 F HA 0.600 5.127 4.527 -0.000 0.000 0.349 310 F C 0.187 176.248 175.800 0.436 0.000 1.117 310 F CA -0.334 57.931 58.000 0.442 0.000 1.104 310 F CB 1.074 40.254 39.000 0.300 0.000 1.122 310 F HN 0.252 nan 8.300 nan 0.000 0.483 311 I N 2.911 123.862 120.570 0.635 0.000 2.498 311 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 311 I C -0.060 176.123 176.117 0.110 0.000 1.032 311 I CA -0.895 60.636 61.300 0.385 0.000 1.073 311 I CB 1.560 39.685 38.000 0.209 0.000 1.251 311 I HN 0.577 nan 8.210 nan 0.000 0.426 312 H N 6.188 125.040 119.070 -0.363 0.000 2.972 312 H HA -0.033 4.523 4.556 -0.000 0.000 0.343 312 H C 0.917 176.059 175.328 -0.309 0.000 1.054 312 H CA 0.934 56.481 56.048 -0.835 0.000 1.412 312 H CB 1.193 30.586 29.762 -0.615 0.000 1.385 312 H HN 0.840 nan 8.280 nan 0.000 0.600 313 E N 1.828 121.519 120.200 -0.847 0.000 2.160 313 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 313 E C 1.763 178.287 176.600 -0.127 0.000 0.991 313 E CA 1.470 57.638 56.400 -0.387 0.000 0.810 313 E CB -0.067 29.389 29.700 -0.406 0.000 0.742 313 E HN 0.609 nan 8.360 nan 0.000 0.466 314 S N 1.695 117.411 115.700 0.026 0.000 2.402 314 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 314 S C 2.097 176.757 174.600 0.099 0.000 1.021 314 S CA 1.130 59.408 58.200 0.130 0.000 0.974 314 S CB -0.698 62.639 63.200 0.229 0.000 0.800 314 S HN 0.616 nan 8.310 nan 0.000 0.484 315 I N -2.451 118.186 120.570 0.112 0.000 4.154 315 I HA 0.350 4.520 4.170 -0.000 0.000 0.334 315 I C 2.100 178.262 176.117 0.075 0.000 1.371 315 I CA -0.312 61.036 61.300 0.079 0.000 1.110 315 I CB -0.456 37.586 38.000 0.070 0.000 1.085 315 I HN 0.139 nan 8.210 nan 0.000 0.398 316 H N 2.857 121.919 119.070 -0.013 0.000 2.290 316 H HA -0.202 4.354 4.556 -0.000 0.000 0.298 316 H C 1.118 176.431 175.328 -0.025 0.000 1.087 316 H CA 2.698 58.735 56.048 -0.019 0.000 1.291 316 H CB 0.094 29.838 29.762 -0.030 0.000 1.369 316 H HN 0.350 nan 8.280 nan 0.000 0.492 317 D N 0.347 120.831 120.400 0.139 0.000 2.117 317 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 317 D C 2.240 178.513 176.300 -0.044 0.000 0.987 317 D CA 1.085 55.114 54.000 0.048 0.000 0.829 317 D CB -0.398 40.460 40.800 0.096 0.000 0.961 317 D HN 0.616 nan 8.370 nan 0.000 0.460 318 E N 0.474 120.661 120.200 -0.021 0.000 2.077 318 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 318 E C 1.980 178.540 176.600 -0.067 0.000 0.989 318 E CA 0.876 57.257 56.400 -0.032 0.000 0.800 318 E CB 0.164 29.859 29.700 -0.009 0.000 0.746 318 E HN 0.020 nan 8.360 nan 0.000 0.452 319 V N 0.441 120.300 119.914 -0.091 0.000 2.358 319 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 319 V C 2.421 178.412 176.094 -0.170 0.000 1.047 319 V CA 1.330 63.561 62.300 -0.116 0.000 1.035 319 V CB -0.162 31.597 31.823 -0.106 0.000 0.658 319 V HN 0.209 nan 8.190 nan 0.000 0.452 320 V N 0.723 120.486 119.914 -0.251 0.000 2.343 320 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 320 V C 2.350 178.333 176.094 -0.186 0.000 1.051 320 V CA 2.069 64.205 62.300 -0.272 0.000 1.036 320 V CB -0.865 30.743 31.823 -0.359 0.000 0.654 320 V HN 0.562 nan 8.190 nan 0.000 0.451 321 N N 0.331 118.952 118.700 -0.131 0.000 2.120 321 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 321 N C 1.958 177.418 175.510 -0.084 0.000 1.024 321 N CA 1.348 54.346 53.050 -0.087 0.000 0.852 321 N CB -0.358 38.097 38.487 -0.053 0.000 1.003 321 N HN 0.467 nan 8.380 nan 0.000 0.424 322 R N 0.462 120.913 120.500 -0.082 0.000 2.092 322 R HA 0.048 4.388 4.340 -0.000 0.000 0.231 322 R C 2.272 178.525 176.300 -0.079 0.000 1.119 322 R CA 0.534 56.594 56.100 -0.066 0.000 0.970 322 R CB -0.413 29.855 30.300 -0.054 0.000 0.864 322 R HN 0.243 nan 8.270 nan 0.000 0.440 323 L N 0.939 122.090 121.223 -0.119 0.000 2.046 323 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 323 L C 2.409 179.140 176.870 -0.231 0.000 1.077 323 L CA 1.494 56.246 54.840 -0.146 0.000 0.747 323 L CB -0.321 41.596 42.059 -0.237 0.000 0.896 323 L HN 0.140 nan 8.230 nan 0.000 0.432 324 K N 0.118 120.358 120.400 -0.268 0.000 2.032 324 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 324 K C 2.142 178.636 176.600 -0.176 0.000 1.048 324 K CA 1.537 57.668 56.287 -0.260 0.000 0.927 324 K CB -0.124 32.321 32.500 -0.092 0.000 0.712 324 K HN 0.269 nan 8.250 nan 0.000 0.441 325 K N 0.353 120.699 120.400 -0.090 0.000 2.057 325 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 325 K C 2.225 178.792 176.600 -0.055 0.000 1.049 325 K CA 1.237 57.495 56.287 -0.048 0.000 0.931 325 K CB -0.141 32.341 32.500 -0.030 0.000 0.714 325 K HN 0.138 nan 8.250 nan 0.000 0.440 326 A N 0.596 123.389 122.820 -0.045 0.000 1.902 326 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 326 A C 1.871 179.424 177.584 -0.051 0.000 1.181 326 A CA 1.286 53.309 52.037 -0.022 0.000 0.623 326 A CB -0.752 18.258 19.000 0.017 0.000 0.818 326 A HN 0.244 nan 8.150 nan 0.000 0.443 327 Y N 0.020 120.091 120.300 -0.383 0.000 2.165 327 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 327 Y C 2.903 178.483 175.900 -0.533 0.000 1.155 327 Y CA 0.676 58.415 58.100 -0.601 0.000 1.164 327 Y CB -0.799 36.989 38.460 -1.120 0.000 0.978 327 Y HN 0.334 nan 8.280 nan 0.000 0.513 328 A N -0.565 122.097 122.820 -0.263 0.000 2.070 328 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 328 A C 1.930 179.506 177.584 -0.014 0.000 1.159 328 A CA 1.523 53.560 52.037 0.001 0.000 0.656 328 A CB -0.498 18.564 19.000 0.104 0.000 0.800 328 A HN 0.577 nan 8.150 nan 0.000 0.453 329 Q N -0.791 118.975 119.800 -0.056 0.000 2.360 329 Q HA 0.285 4.625 4.340 -0.000 0.000 0.202 329 Q C -0.364 175.600 176.000 -0.061 0.000 0.915 329 Q CA -0.349 55.429 55.803 -0.043 0.000 0.943 329 Q CB 0.212 28.930 28.738 -0.034 0.000 1.064 329 Q HN 0.642 nan 8.270 nan 0.000 0.511 330 I N 2.049 122.552 120.570 -0.111 0.000 2.683 330 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 330 I C 0.543 176.621 176.117 -0.065 0.000 1.175 330 I CA -0.091 61.134 61.300 -0.126 0.000 1.429 330 I CB 0.327 38.163 38.000 -0.273 0.000 1.371 330 I HN -0.093 nan 8.210 nan 0.000 0.569 331 R N 6.385 126.873 120.500 -0.020 0.000 2.242 331 R HA 0.335 4.675 4.340 -0.000 0.000 0.334 331 R C -1.301 175.030 176.300 0.050 0.000 1.071 331 R CA -0.174 55.929 56.100 0.006 0.000 0.922 331 R CB 0.148 30.451 30.300 0.007 0.000 1.023 331 R HN 0.403 nan 8.270 nan 0.000 0.458 332 V N 4.007 123.950 119.914 0.048 0.000 2.532 332 V HA 0.920 5.040 4.120 -0.000 0.000 0.295 332 V C 0.878 176.983 176.094 0.019 0.000 1.041 332 V CA 0.157 62.527 62.300 0.117 0.000 0.926 332 V CB 1.421 33.315 31.823 0.118 0.000 0.992 332 V HN 0.944 nan 8.190 nan 0.000 0.457 333 G N 2.647 111.463 108.800 0.028 0.000 2.335 333 G HA2 0.164 4.124 3.960 -0.000 0.000 0.291 333 G HA3 0.164 4.124 3.960 -0.000 0.000 0.291 333 G C -1.373 173.463 174.900 -0.106 0.000 1.261 333 G CA -0.962 44.079 45.100 -0.098 0.000 0.871 333 G HN 0.473 nan 8.290 nan 0.000 0.491 334 N N 1.953 120.465 118.700 -0.314 0.000 2.454 334 N HA 0.199 4.939 4.740 -0.000 0.000 0.260 334 N C -1.373 173.737 175.510 -0.667 0.000 1.218 334 N CA -0.940 51.684 53.050 -0.711 0.000 0.904 334 N CB 1.749 39.443 38.487 -1.321 0.000 1.065 334 N HN 0.194 nan 8.380 nan 0.000 0.462 335 P HA -0.072 nan 4.420 nan 0.000 0.230 335 P C 0.680 177.957 177.300 -0.037 0.000 1.158 335 P CA 0.984 63.979 63.100 -0.176 0.000 0.769 335 P CB -0.061 31.610 31.700 -0.049 0.000 0.807 336 W N -0.993 120.341 121.300 0.058 0.000 3.197 336 W HA 0.356 5.016 4.660 -0.000 0.000 0.274 336 W C -0.244 176.284 176.519 0.015 0.000 1.297 336 W CA -0.518 56.843 57.345 0.028 0.000 1.662 336 W CB -0.952 28.534 29.460 0.042 0.000 1.106 336 W HN -0.287 nan 8.180 nan 0.000 0.663 337 D N 2.839 123.133 120.400 -0.177 0.000 2.313 337 D HA 0.167 4.807 4.640 -0.000 0.000 0.247 337 D C -2.008 174.280 176.300 -0.020 0.000 1.094 337 D CA -1.770 52.189 54.000 -0.068 0.000 0.925 337 D CB 0.881 41.581 40.800 -0.168 0.000 1.188 337 D HN -0.176 nan 8.370 nan 0.000 0.430 338 P HA 0.121 nan 4.420 nan 0.000 0.271 338 P C 0.018 177.316 177.300 -0.003 0.000 1.218 338 P CA -0.120 62.986 63.100 0.009 0.000 0.780 338 P CB 0.582 32.291 31.700 0.014 0.000 0.901 339 N N -1.991 116.711 118.700 0.003 0.000 2.972 339 N HA -0.126 4.614 4.740 -0.000 0.000 0.225 339 N C -0.268 175.245 175.510 0.004 0.000 0.883 339 N CA 0.748 53.800 53.050 0.004 0.000 1.010 339 N CB -1.992 36.495 38.487 -0.001 0.000 1.052 339 N HN 0.225 nan 8.380 nan 0.000 0.598 340 V N 2.044 121.955 119.914 -0.005 0.000 2.572 340 V HA 0.106 4.226 4.120 -0.000 0.000 0.291 340 V C 1.733 177.844 176.094 0.027 0.000 1.039 340 V CA 0.270 62.569 62.300 -0.001 0.000 1.055 340 V CB 1.144 32.940 31.823 -0.046 0.000 0.969 340 V HN 0.166 nan 8.190 nan 0.000 0.482 341 L N 4.677 125.935 121.223 0.059 0.000 2.858 341 L HA 0.372 4.712 4.340 -0.000 0.000 0.251 341 L C -0.337 176.616 176.870 0.138 0.000 1.149 341 L CA 0.154 55.045 54.840 0.084 0.000 0.955 341 L CB 0.304 42.408 42.059 0.076 0.000 1.289 341 L HN 0.645 nan 8.230 nan 0.000 0.542 342 Y N 0.371 120.656 120.300 -0.024 0.000 2.330 342 Y HA 0.619 5.169 4.550 -0.000 0.000 0.324 342 Y C 0.075 175.991 175.900 0.026 0.000 1.093 342 Y CA -0.966 57.117 58.100 -0.028 0.000 1.103 342 Y CB 1.311 39.749 38.460 -0.037 0.000 1.183 342 Y HN -0.076 nan 8.280 nan 0.000 0.433 343 G N 5.023 113.563 108.800 -0.433 0.000 2.828 343 G HA2 0.647 4.607 3.960 -0.000 0.000 0.244 343 G HA3 0.647 4.607 3.960 -0.000 0.000 0.244 343 G C -2.975 171.358 174.900 -0.945 0.000 1.365 343 G CA -1.823 43.015 45.100 -0.436 0.000 1.041 343 G HN 0.384 nan 8.290 nan 0.000 0.560 344 P HA 0.330 nan 4.420 nan 0.000 0.278 344 P C -0.044 176.922 177.300 -0.556 0.000 1.258 344 P CA -0.477 61.957 63.100 -1.110 0.000 0.811 344 P CB 1.407 32.518 31.700 -0.980 0.000 1.063 345 L N 0.968 121.947 121.223 -0.407 0.000 2.473 345 L HA 0.052 4.392 4.340 -0.000 0.000 0.268 345 L C 2.210 178.998 176.870 -0.136 0.000 1.215 345 L CA -0.125 54.594 54.840 -0.202 0.000 0.823 345 L CB -0.301 41.666 42.059 -0.154 0.000 1.099 345 L HN 0.592 nan 8.230 nan 0.000 0.483 346 H N 0.084 119.044 119.070 -0.184 0.000 2.436 346 H HA -0.020 4.536 4.556 -0.000 0.000 0.294 346 H C 0.507 175.683 175.328 -0.252 0.000 1.048 346 H CA 1.138 57.035 56.048 -0.251 0.000 1.353 346 H CB 0.327 29.754 29.762 -0.558 0.000 1.414 346 H HN 0.737 nan 8.280 nan 0.000 0.536 347 T N -3.500 110.887 114.554 -0.279 0.000 2.883 347 T HA 0.290 4.640 4.350 -0.000 0.000 0.296 347 T C 0.676 175.282 174.700 -0.156 0.000 1.117 347 T CA -0.983 60.953 62.100 -0.273 0.000 1.006 347 T CB 2.044 70.761 68.868 -0.251 0.000 1.191 347 T HN 0.106 nan 8.240 nan 0.000 0.508 348 K N 0.038 120.352 120.400 -0.143 0.000 2.097 348 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 348 K C 2.595 179.168 176.600 -0.044 0.000 1.049 348 K CA 1.408 57.644 56.287 -0.086 0.000 0.933 348 K CB -0.238 32.205 32.500 -0.096 0.000 0.717 348 K HN 0.541 nan 8.250 nan 0.000 0.442 349 Q N 0.696 120.467 119.800 -0.050 0.000 2.124 349 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 349 Q C 2.106 178.127 176.000 0.034 0.000 0.977 349 Q CA 1.326 57.125 55.803 -0.007 0.000 0.850 349 Q CB -0.361 28.370 28.738 -0.012 0.000 0.901 349 Q HN 0.519 nan 8.270 nan 0.000 0.429 350 A N -0.176 122.657 122.820 0.023 0.000 1.933 350 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 350 A C 2.367 180.019 177.584 0.113 0.000 1.175 350 A CA 1.764 53.850 52.037 0.082 0.000 0.628 350 A CB -0.782 18.253 19.000 0.058 0.000 0.814 350 A HN 0.480 nan 8.150 nan 0.000 0.444 351 V N -0.426 119.523 119.914 0.059 0.000 2.295 351 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 351 V C 2.812 179.018 176.094 0.187 0.000 1.049 351 V CA 2.325 64.682 62.300 0.094 0.000 1.024 351 V CB -0.888 30.953 31.823 0.030 0.000 0.648 351 V HN 0.675 nan 8.190 nan 0.000 0.447 352 S N -0.691 115.080 115.700 0.118 0.000 2.368 352 S HA -0.215 4.255 4.470 -0.000 0.000 0.225 352 S C 2.043 176.720 174.600 0.129 0.000 1.030 352 S CA 1.641 59.906 58.200 0.108 0.000 0.999 352 S CB -0.236 63.001 63.200 0.062 0.000 0.844 352 S HN 0.396 nan 8.310 nan 0.000 0.459 353 M N 0.277 119.965 119.600 0.147 0.000 2.175 353 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 353 M C 1.969 178.384 176.300 0.192 0.000 1.063 353 M CA 1.156 56.548 55.300 0.154 0.000 1.119 353 M CB -1.548 31.154 32.600 0.169 0.000 1.377 353 M HN 0.553 nan 8.290 nan 0.000 0.415 354 F N 1.612 121.612 119.950 0.083 0.000 2.069 354 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 354 F C 2.037 177.880 175.800 0.071 0.000 1.113 354 F CA 1.678 59.727 58.000 0.083 0.000 1.214 354 F CB -0.492 38.552 39.000 0.073 0.000 0.978 354 F HN -0.003 nan 8.300 nan 0.000 0.474 355 L N 0.259 121.527 121.223 0.075 0.000 2.083 355 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 355 L C 2.845 179.663 176.870 -0.087 0.000 1.083 355 L CA 1.278 56.068 54.840 -0.083 0.000 0.752 355 L CB -1.667 40.444 42.059 0.086 0.000 0.899 355 L HN 0.414 nan 8.230 nan 0.000 0.433 356 G N -0.281 108.514 108.800 -0.009 0.000 2.440 356 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 356 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 356 G C 1.769 176.660 174.900 -0.015 0.000 1.154 356 G CA 0.890 45.990 45.100 0.000 0.000 0.767 356 G HN 0.478 nan 8.290 nan 0.000 0.552 357 A N 0.037 122.847 122.820 -0.017 0.000 1.898 357 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 357 A C 2.614 180.179 177.584 -0.033 0.000 1.181 357 A CA 1.768 53.813 52.037 0.015 0.000 0.620 357 A CB -0.661 18.387 19.000 0.080 0.000 0.819 357 A HN 0.258 nan 8.150 nan 0.000 0.442 358 V N 0.234 120.037 119.914 -0.186 0.000 2.287 358 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 358 V C 2.649 178.685 176.094 -0.096 0.000 1.053 358 V CA 2.563 64.741 62.300 -0.202 0.000 1.027 358 V CB -0.729 30.852 31.823 -0.404 0.000 0.646 358 V HN 0.751 nan 8.190 nan 0.000 0.447 359 E N 0.580 120.731 120.200 -0.083 0.000 2.051 359 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 359 E C 2.076 178.662 176.600 -0.023 0.000 0.991 359 E CA 1.746 58.120 56.400 -0.044 0.000 0.799 359 E CB -0.331 29.349 29.700 -0.033 0.000 0.748 359 E HN 0.581 nan 8.360 nan 0.000 0.449 360 E N 0.088 120.280 120.200 -0.013 0.000 2.085 360 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 360 E C 1.839 178.437 176.600 -0.002 0.000 0.994 360 E CA 1.579 57.976 56.400 -0.005 0.000 0.801 360 E CB -0.635 29.068 29.700 0.004 0.000 0.743 360 E HN 0.326 nan 8.360 nan 0.000 0.453 361 A N 0.853 123.687 122.820 0.023 0.000 1.883 361 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 361 A C 2.080 179.674 177.584 0.016 0.000 1.186 361 A CA 2.078 54.145 52.037 0.049 0.000 0.624 361 A CB -0.507 18.582 19.000 0.149 0.000 0.822 361 A HN 0.245 nan 8.150 nan 0.000 0.444 362 K N -0.252 120.148 120.400 -0.001 0.000 2.026 362 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 362 K C 2.073 178.664 176.600 -0.014 0.000 1.048 362 K CA 1.557 57.837 56.287 -0.011 0.000 0.929 362 K CB -0.204 32.284 32.500 -0.020 0.000 0.713 362 K HN 0.403 nan 8.250 nan 0.000 0.439 363 K N 1.115 121.505 120.400 -0.016 0.000 2.152 363 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 363 K C 1.560 178.146 176.600 -0.023 0.000 1.048 363 K CA 1.292 57.568 56.287 -0.019 0.000 0.933 363 K CB 0.009 32.498 32.500 -0.018 0.000 0.721 363 K HN 0.259 nan 8.250 nan 0.000 0.447 364 E N -0.796 119.388 120.200 -0.026 0.000 2.489 364 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 364 E C 0.697 177.277 176.600 -0.032 0.000 1.057 364 E CA 0.260 56.638 56.400 -0.038 0.000 0.866 364 E CB 0.529 30.197 29.700 -0.053 0.000 0.916 364 E HN 0.511 nan 8.360 nan 0.000 0.500 365 G N 0.789 109.576 108.800 -0.021 0.000 2.184 365 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.206 365 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.206 365 G C 0.480 175.375 174.900 -0.009 0.000 0.995 365 G CA -0.411 44.679 45.100 -0.017 0.000 0.651 365 G HN 0.446 nan 8.290 nan 0.000 0.511 366 G N -0.413 108.386 108.800 -0.002 0.000 2.539 366 G HA2 0.554 4.514 3.960 -0.000 0.000 0.258 366 G HA3 0.554 4.514 3.960 -0.000 0.000 0.258 366 G C -0.213 174.684 174.900 -0.004 0.000 1.202 366 G CA 0.635 45.739 45.100 0.006 0.000 0.851 366 G HN 0.533 nan 8.290 nan 0.000 0.556 367 T N 0.595 115.143 114.554 -0.011 0.000 2.792 367 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 367 T C 0.074 174.757 174.700 -0.028 0.000 0.990 367 T CA -0.310 61.779 62.100 -0.019 0.000 0.960 367 T CB 1.617 70.475 68.868 -0.017 0.000 0.939 367 T HN 0.303 nan 8.240 nan 0.000 0.439 368 V N 5.054 124.948 119.914 -0.034 0.000 2.397 368 V HA 0.070 4.190 4.120 -0.000 0.000 0.262 368 V C 1.557 177.625 176.094 -0.043 0.000 1.047 368 V CA -0.014 62.260 62.300 -0.043 0.000 1.003 368 V CB 0.348 32.141 31.823 -0.050 0.000 1.037 368 V HN 0.889 nan 8.190 nan 0.000 0.480 369 V N 2.519 122.408 119.914 -0.040 0.000 3.354 369 V HA 0.333 4.453 4.120 -0.000 0.000 0.258 369 V C 0.188 176.293 176.094 0.018 0.000 1.159 369 V CA 0.509 62.792 62.300 -0.028 0.000 1.125 369 V CB -0.590 31.207 31.823 -0.043 0.000 0.774 369 V HN 0.649 nan 8.190 nan 0.000 0.464 370 Y N -0.199 120.038 120.300 -0.104 0.000 2.482 370 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 370 Y C 0.408 176.303 175.900 -0.009 0.000 1.091 370 Y CA 0.187 58.244 58.100 -0.072 0.000 1.027 370 Y CB 1.412 39.788 38.460 -0.140 0.000 1.306 370 Y HN 0.567 nan 8.280 nan 0.000 0.446 371 G N 2.595 111.072 108.800 -0.539 0.000 2.498 371 G HA2 0.233 4.193 3.960 -0.000 0.000 0.251 371 G HA3 0.233 4.193 3.960 -0.000 0.000 0.251 371 G C 0.853 175.744 174.900 -0.014 0.000 1.170 371 G CA 0.792 45.803 45.100 -0.147 0.000 0.944 371 G HN 2.189 nan 8.290 nan 0.000 0.567 372 G N -1.568 107.327 108.800 0.158 0.000 2.217 372 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.246 372 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.246 372 G C 0.339 175.337 174.900 0.163 0.000 0.990 372 G CA 1.829 46.972 45.100 0.072 0.000 0.627 372 G HN 1.206 nan 8.290 nan 0.000 0.522 373 K N -0.008 120.547 120.400 0.259 0.000 2.306 373 K HA 0.722 5.042 4.320 -0.000 0.000 0.236 373 K C 0.526 177.298 176.600 0.287 0.000 1.013 373 K CA -0.458 55.972 56.287 0.239 0.000 0.857 373 K CB 2.693 35.249 32.500 0.093 0.000 1.214 373 K HN 0.646 nan 8.250 nan 0.000 0.449 374 V N -1.071 118.965 119.914 0.203 0.000 2.775 374 V HA 0.302 4.422 4.120 -0.000 0.000 0.299 374 V C 0.001 176.142 176.094 0.078 0.000 1.062 374 V CA -0.627 61.740 62.300 0.112 0.000 1.063 374 V CB 0.440 32.322 31.823 0.098 0.000 0.994 374 V HN 0.609 nan 8.190 nan 0.000 0.483 375 M N 3.040 122.686 119.600 0.075 0.000 2.211 375 M HA 0.266 4.746 4.480 -0.000 0.000 0.356 375 M C -0.087 176.232 176.300 0.032 0.000 1.216 375 M CA -0.116 55.218 55.300 0.055 0.000 1.134 375 M CB 0.602 33.247 32.600 0.075 0.000 1.564 375 M HN 0.807 nan 8.290 nan 0.000 0.463 376 D N 5.048 125.450 120.400 0.004 0.000 2.551 376 D HA 0.185 4.825 4.640 -0.000 0.000 0.223 376 D C -0.584 175.697 176.300 -0.030 0.000 1.144 376 D CA 0.101 54.099 54.000 -0.004 0.000 1.025 376 D CB 0.127 40.923 40.800 -0.006 0.000 1.085 376 D HN 0.556 nan 8.370 nan 0.000 0.506 377 R N 0.807 121.288 120.500 -0.031 0.000 2.712 377 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 377 R C -3.013 173.279 176.300 -0.013 0.000 1.032 377 R CA -1.519 54.540 56.100 -0.067 0.000 0.874 377 R CB -0.273 29.910 30.300 -0.196 0.000 1.256 377 R HN -0.108 nan 8.270 nan 0.000 0.468 378 P HA 0.291 nan 4.420 nan 0.000 0.269 378 P C 0.089 177.486 177.300 0.162 0.000 1.215 378 P CA 1.268 64.404 63.100 0.061 0.000 0.780 378 P CB 0.476 32.211 31.700 0.060 0.000 0.898 379 G N 1.663 110.560 108.800 0.161 0.000 2.685 379 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.387 379 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.387 379 G C -0.518 174.473 174.900 0.151 0.000 1.324 379 G CA -0.713 44.503 45.100 0.195 0.000 0.878 379 G HN 0.535 nan 8.290 nan 0.000 0.527 380 N N 0.416 119.110 118.700 -0.010 0.000 2.920 380 N HA 0.296 5.036 4.740 -0.000 0.000 0.310 380 N C -0.699 174.716 175.510 -0.158 0.000 1.384 380 N CA 0.079 53.078 53.050 -0.085 0.000 1.083 380 N CB 0.105 38.501 38.487 -0.151 0.000 1.389 380 N HN 0.410 nan 8.380 nan 0.000 0.521 381 Y N 0.289 120.543 120.300 -0.077 0.000 2.316 381 Y HA 0.282 4.832 4.550 -0.000 0.000 0.331 381 Y C 1.009 176.857 175.900 -0.085 0.000 1.083 381 Y CA -0.819 57.239 58.100 -0.069 0.000 1.206 381 Y CB 0.963 39.415 38.460 -0.014 0.000 1.195 381 Y HN -0.035 nan 8.280 nan 0.000 0.497 382 V N -0.339 119.570 119.914 -0.008 0.000 3.001 382 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 382 V C -0.583 175.503 176.094 -0.014 0.000 1.099 382 V CA -1.448 60.730 62.300 -0.204 0.000 0.989 382 V CB 1.974 33.217 31.823 -0.967 0.000 1.040 382 V HN 0.711 nan 8.190 nan 0.000 0.434 383 E N 3.683 123.888 120.200 0.008 0.000 2.316 383 E HA 0.318 4.668 4.350 -0.000 0.000 0.275 383 E C -2.485 174.212 176.600 0.162 0.000 1.029 383 E CA -1.727 54.739 56.400 0.110 0.000 0.871 383 E CB 0.802 30.586 29.700 0.140 0.000 1.022 383 E HN 0.650 nan 8.360 nan 0.000 0.418 384 P HA -0.017 nan 4.420 nan 0.000 0.268 384 P C -0.756 176.832 177.300 0.480 0.000 1.204 384 P CA -0.006 63.179 63.100 0.143 0.000 0.768 384 P CB 0.789 32.296 31.700 -0.322 0.000 0.842 385 T N 3.936 118.764 114.554 0.456 0.000 2.861 385 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 385 T C 0.084 174.866 174.700 0.136 0.000 1.003 385 T CA -0.378 61.921 62.100 0.331 0.000 0.977 385 T CB 0.820 69.844 68.868 0.260 0.000 0.996 385 T HN 0.216 nan 8.240 nan 0.000 0.448 386 I N 2.419 122.982 120.570 -0.012 0.000 2.406 386 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 386 I C -0.769 175.265 176.117 -0.138 0.000 0.999 386 I CA -1.100 60.093 61.300 -0.180 0.000 1.124 386 I CB 1.917 39.713 38.000 -0.339 0.000 1.289 386 I HN 0.239 nan 8.210 nan 0.000 0.441 387 V N 4.589 124.400 119.914 -0.171 0.000 2.444 387 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 387 V C 0.256 176.278 176.094 -0.120 0.000 1.022 387 V CA -0.478 61.763 62.300 -0.099 0.000 0.850 387 V CB 1.898 33.711 31.823 -0.018 0.000 0.992 387 V HN 0.888 nan 8.190 nan 0.000 0.426 388 T N 0.567 115.071 114.554 -0.084 0.000 2.948 388 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 388 T C 1.007 175.681 174.700 -0.043 0.000 1.019 388 T CA 0.176 62.234 62.100 -0.071 0.000 1.013 388 T CB 1.715 70.584 68.868 0.001 0.000 1.117 388 T HN 1.737 nan 8.240 nan 0.000 0.533 389 G N 0.191 108.973 108.800 -0.030 0.000 2.225 389 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 389 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 389 G C 0.031 174.941 174.900 0.016 0.000 0.988 389 G CA 0.044 45.141 45.100 -0.004 0.000 0.625 389 G HN 0.870 nan 8.290 nan 0.000 0.527 390 L N 1.491 122.727 121.223 0.022 0.000 2.439 390 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 390 L C 1.620 178.599 176.870 0.181 0.000 1.179 390 L CA 0.016 54.903 54.840 0.079 0.000 0.828 390 L CB 0.593 42.713 42.059 0.102 0.000 1.106 390 L HN 0.248 nan 8.230 nan 0.000 0.467 391 G N -0.246 108.580 108.800 0.043 0.000 2.432 391 G HA2 0.007 3.967 3.960 -0.000 0.000 0.239 391 G HA3 0.007 3.967 3.960 -0.000 0.000 0.239 391 G C 0.820 175.619 174.900 -0.167 0.000 1.291 391 G CA -0.065 44.985 45.100 -0.084 0.000 0.863 391 G HN 0.998 nan 8.290 nan 0.000 0.560 392 H N -0.082 118.721 119.070 -0.444 0.000 2.460 392 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 392 H C 1.216 176.295 175.328 -0.415 0.000 1.103 392 H CA 1.626 57.140 56.048 -0.889 0.000 1.292 392 H CB 0.191 29.267 29.762 -1.145 0.000 1.376 392 H HN 0.468 nan 8.280 nan 0.000 0.531 393 D N 0.625 120.494 120.400 -0.885 0.000 2.358 393 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 393 D C 0.515 176.452 176.300 -0.604 0.000 1.123 393 D CA 0.065 53.636 54.000 -0.714 0.000 0.833 393 D CB -0.482 39.903 40.800 -0.691 0.000 0.946 393 D HN 0.613 nan 8.370 nan 0.000 0.505 394 A N 0.369 122.963 122.820 -0.377 0.000 2.540 394 A HA 0.188 4.508 4.320 -0.000 0.000 0.239 394 A C 1.712 179.128 177.584 -0.279 0.000 1.061 394 A CA 0.263 52.143 52.037 -0.262 0.000 0.758 394 A CB 0.439 19.345 19.000 -0.155 0.000 0.991 394 A HN 0.162 nan 8.150 nan 0.000 0.502 395 S N 1.738 117.303 115.700 -0.226 0.000 2.372 395 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 395 S C 1.802 176.351 174.600 -0.086 0.000 1.044 395 S CA 2.031 60.139 58.200 -0.152 0.000 1.050 395 S CB -0.462 62.678 63.200 -0.100 0.000 0.901 395 S HN 0.805 nan 8.310 nan 0.000 0.447 396 I N 1.758 122.258 120.570 -0.116 0.000 2.361 396 I HA -0.001 4.169 4.170 -0.000 0.000 0.251 396 I C 2.245 178.211 176.117 -0.252 0.000 1.133 396 I CA 1.292 62.520 61.300 -0.120 0.000 1.413 396 I CB -0.901 37.038 38.000 -0.101 0.000 1.073 396 I HN 0.328 nan 8.210 nan 0.000 0.424 397 A N -1.422 121.175 122.820 -0.371 0.000 2.119 397 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 397 A C 2.113 179.742 177.584 0.075 0.000 1.153 397 A CA 1.217 53.039 52.037 -0.360 0.000 0.692 397 A CB -0.985 17.936 19.000 -0.132 0.000 0.799 397 A HN 0.632 nan 8.150 nan 0.000 0.458 398 H N -1.057 117.964 119.070 -0.081 0.000 2.563 398 H HA 0.060 4.616 4.556 -0.000 0.000 0.264 398 H C -0.105 175.238 175.328 0.025 0.000 0.957 398 H CA 0.424 56.463 56.048 -0.015 0.000 1.173 398 H CB 0.413 30.152 29.762 -0.038 0.000 1.420 398 H HN 0.333 nan 8.280 nan 0.000 0.551 399 T N 1.094 115.732 114.554 0.140 0.000 2.845 399 T HA 0.039 4.389 4.350 -0.000 0.000 0.288 399 T C 0.196 175.006 174.700 0.183 0.000 0.980 399 T CA -0.542 61.640 62.100 0.137 0.000 1.071 399 T CB 2.248 71.184 68.868 0.113 0.000 0.941 399 T HN 0.262 nan 8.240 nan 0.000 0.487 400 E N 2.551 122.867 120.200 0.193 0.000 2.166 400 E HA 0.137 4.487 4.350 -0.000 0.000 0.279 400 E C -0.733 176.031 176.600 0.274 0.000 1.095 400 E CA -0.240 56.311 56.400 0.251 0.000 0.888 400 E CB 0.332 30.185 29.700 0.254 0.000 1.041 400 E HN 0.467 nan 8.360 nan 0.000 0.414 401 T N 5.448 120.186 114.554 0.306 0.000 2.743 401 T HA 0.181 4.531 4.350 -0.000 0.000 0.292 401 T C -0.394 174.525 174.700 0.365 0.000 0.972 401 T CA -0.433 61.855 62.100 0.312 0.000 0.967 401 T CB 0.170 69.204 68.868 0.277 0.000 0.926 401 T HN 0.317 nan 8.240 nan 0.000 0.459 402 F N 4.150 124.219 119.950 0.198 0.000 2.661 402 F HA 0.542 5.069 4.527 -0.000 0.000 0.356 402 F C 0.591 176.510 175.800 0.198 0.000 1.244 402 F CA -0.644 57.476 58.000 0.200 0.000 1.290 402 F CB -0.874 38.262 39.000 0.227 0.000 1.677 402 F HN 0.713 nan 8.300 nan 0.000 0.649 403 A N 3.432 126.323 122.820 0.118 0.000 2.601 403 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 403 A C -2.888 174.766 177.584 0.116 0.000 1.075 403 A CA -1.225 50.891 52.037 0.132 0.000 0.671 403 A CB 1.231 20.430 19.000 0.332 0.000 1.277 403 A HN 0.078 nan 8.150 nan 0.000 0.417 404 P HA 0.429 nan 4.420 nan 0.000 0.247 404 P C -1.072 176.349 177.300 0.202 0.000 1.756 404 P CA 0.473 63.644 63.100 0.120 0.000 1.117 404 P CB -0.574 31.201 31.700 0.124 0.000 1.869 405 I N 3.565 124.190 120.570 0.091 0.000 2.447 405 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 405 I C -0.276 175.656 176.117 -0.308 0.000 1.023 405 I CA -1.102 60.140 61.300 -0.097 0.000 1.083 405 I CB 2.435 40.316 38.000 -0.198 0.000 1.245 405 I HN 0.041 nan 8.210 nan 0.000 0.434 406 L N 7.905 128.943 121.223 -0.308 0.000 2.298 406 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 406 L C -1.343 175.271 176.870 -0.426 0.000 1.013 406 L CA -0.144 54.534 54.840 -0.270 0.000 0.824 406 L CB 0.624 42.636 42.059 -0.077 0.000 1.221 406 L HN 0.311 nan 8.230 nan 0.000 0.418 407 Y N 4.457 124.688 120.300 -0.115 0.000 2.350 407 Y HA 0.536 5.086 4.550 -0.000 0.000 0.340 407 Y C 0.090 175.577 175.900 -0.690 0.000 1.006 407 Y CA -0.748 57.143 58.100 -0.349 0.000 1.166 407 Y CB 1.272 39.623 38.460 -0.182 0.000 1.168 407 Y HN 0.274 nan 8.280 nan 0.000 0.502 408 V N 5.227 124.740 119.914 -0.668 0.000 2.435 408 V HA 0.457 4.576 4.120 -0.000 0.000 0.290 408 V C -0.610 175.008 176.094 -0.794 0.000 1.030 408 V CA -1.074 60.879 62.300 -0.578 0.000 0.881 408 V CB 0.926 32.585 31.823 -0.274 0.000 0.983 408 V HN 0.509 nan 8.190 nan 0.000 0.445 409 F N 2.149 122.090 119.950 -0.016 0.000 2.565 409 F HA 0.581 5.108 4.527 -0.000 0.000 0.313 409 F C 0.281 176.247 175.800 0.278 0.000 1.091 409 F CA -1.016 57.020 58.000 0.060 0.000 0.915 409 F CB 1.874 40.804 39.000 -0.115 0.000 1.208 409 F HN 0.264 nan 8.300 nan 0.000 0.453 410 K N 2.280 122.905 120.400 0.375 0.000 2.154 410 K HA 0.623 4.943 4.320 -0.000 0.000 0.264 410 K C -1.049 175.882 176.600 0.550 0.000 1.008 410 K CA -0.476 55.972 56.287 0.269 0.000 0.937 410 K CB 1.112 33.580 32.500 -0.054 0.000 1.002 410 K HN 0.574 nan 8.250 nan 0.000 0.469 411 F N -1.570 118.512 119.950 0.221 0.000 2.685 411 F HA 0.318 4.845 4.527 -0.000 0.000 0.315 411 F C 0.245 175.972 175.800 -0.121 0.000 1.126 411 F CA -0.809 57.286 58.000 0.160 0.000 0.950 411 F CB 1.359 40.437 39.000 0.130 0.000 1.360 411 F HN 0.404 nan 8.300 nan 0.000 0.469 412 Q N 0.574 120.335 119.800 -0.066 0.000 2.548 412 Q HA 0.195 4.535 4.340 -0.000 0.000 0.230 412 Q C -0.653 175.451 176.000 0.173 0.000 0.899 412 Q CA 0.347 56.049 55.803 -0.168 0.000 0.936 412 Q CB 0.423 29.128 28.738 -0.055 0.000 1.114 412 Q HN 0.808 nan 8.270 nan 0.000 0.606 413 N N -0.625 118.213 118.700 0.231 0.000 2.328 413 N HA 0.102 4.842 4.740 -0.000 0.000 0.299 413 N C 0.083 175.652 175.510 0.098 0.000 1.179 413 N CA -0.577 52.581 53.050 0.179 0.000 0.793 413 N CB 1.305 39.806 38.487 0.024 0.000 1.366 413 N HN -0.030 nan 8.380 nan 0.000 0.493 414 E N 0.247 120.476 120.200 0.048 0.000 2.051 414 E HA -0.320 4.030 4.350 -0.000 0.000 0.192 414 E C 1.207 177.472 176.600 -0.558 0.000 0.991 414 E CA 1.255 57.516 56.400 -0.232 0.000 0.799 414 E CB 0.024 29.504 29.700 -0.367 0.000 0.748 414 E HN 0.810 nan 8.360 nan 0.000 0.449 415 E N 0.586 120.563 120.200 -0.371 0.000 2.051 415 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 415 E C 2.114 178.509 176.600 -0.342 0.000 0.991 415 E CA 1.685 57.904 56.400 -0.302 0.000 0.799 415 E CB -0.163 29.431 29.700 -0.177 0.000 0.748 415 E HN 0.481 nan 8.360 nan 0.000 0.449 416 E N 0.248 120.173 120.200 -0.458 0.000 2.077 416 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 416 E C 2.218 178.058 176.600 -1.267 0.000 0.989 416 E CA 1.344 57.244 56.400 -0.833 0.000 0.800 416 E CB -0.398 28.747 29.700 -0.926 0.000 0.746 416 E HN 0.216 nan 8.360 nan 0.000 0.452 417 V N 0.236 119.561 119.914 -0.981 0.000 2.548 417 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 417 V C 1.949 177.805 176.094 -0.396 0.000 1.055 417 V CA 1.251 62.994 62.300 -0.927 0.000 1.065 417 V CB -0.522 30.511 31.823 -1.316 0.000 0.681 417 V HN 0.370 nan 8.190 nan 0.000 0.462 418 F N 0.246 119.985 119.950 -0.351 0.000 2.134 418 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 418 F C 2.542 178.272 175.800 -0.117 0.000 1.097 418 F CA 0.830 58.783 58.000 -0.078 0.000 1.264 418 F CB -0.449 38.582 39.000 0.052 0.000 1.001 418 F HN 0.297 nan 8.300 nan 0.000 0.479 419 A N 0.138 122.947 122.820 -0.017 0.000 1.908 419 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 419 A C 1.807 179.439 177.584 0.079 0.000 1.181 419 A CA 1.438 53.467 52.037 -0.014 0.000 0.627 419 A CB -1.121 17.836 19.000 -0.071 0.000 0.818 419 A HN 0.502 nan 8.150 nan 0.000 0.445 420 W N 0.053 121.204 121.300 -0.248 0.000 2.388 420 W HA -0.091 4.569 4.660 -0.000 0.000 0.294 420 W C 2.080 178.433 176.519 -0.277 0.000 1.212 420 W CA 0.654 57.795 57.345 -0.340 0.000 1.271 420 W CB -1.450 27.626 29.460 -0.639 0.000 1.126 420 W HN 0.593 nan 8.180 nan 0.000 0.535 421 N N 0.822 119.461 118.700 -0.101 0.000 2.061 421 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 421 N C 1.263 176.798 175.510 0.041 0.000 1.030 421 N CA 1.994 55.054 53.050 0.017 0.000 0.856 421 N CB -0.426 38.133 38.487 0.120 0.000 1.023 421 N HN -0.117 nan 8.380 nan 0.000 0.424 422 N N 0.129 118.844 118.700 0.026 0.000 2.463 422 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 422 N C 0.986 176.497 175.510 0.003 0.000 1.078 422 N CA 0.602 53.650 53.050 -0.003 0.000 0.902 422 N CB -0.145 38.337 38.487 -0.010 0.000 0.970 422 N HN 0.693 nan 8.380 nan 0.000 0.451 423 E N 0.509 120.730 120.200 0.035 0.000 2.274 423 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 423 E C 0.843 177.411 176.600 -0.053 0.000 0.996 423 E CA 0.181 56.613 56.400 0.055 0.000 0.840 423 E CB -0.109 29.703 29.700 0.186 0.000 0.772 423 E HN 0.098 nan 8.360 nan 0.000 0.491 424 V N -0.817 118.976 119.914 -0.200 0.000 3.319 424 V HA 0.105 4.225 4.120 -0.000 0.000 0.303 424 V C 1.022 177.008 176.094 -0.180 0.000 1.094 424 V CA -0.690 61.419 62.300 -0.317 0.000 1.106 424 V CB 1.396 33.019 31.823 -0.334 0.000 1.099 424 V HN -0.068 nan 8.190 nan 0.000 0.476 425 K N -0.050 120.216 120.400 -0.223 0.000 2.243 425 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 425 K C 0.894 177.356 176.600 -0.230 0.000 1.051 425 K CA 0.688 56.740 56.287 -0.391 0.000 0.970 425 K CB -0.228 31.763 32.500 -0.848 0.000 0.755 425 K HN 0.862 nan 8.250 nan 0.000 0.465 426 Q N -0.585 119.160 119.800 -0.092 0.000 2.382 426 Q HA 0.408 4.748 4.340 -0.000 0.000 0.229 426 Q C 0.674 176.673 176.000 -0.001 0.000 1.006 426 Q CA 0.343 56.155 55.803 0.015 0.000 0.916 426 Q CB 0.800 29.571 28.738 0.056 0.000 1.235 426 Q HN 0.262 nan 8.270 nan 0.000 0.512 427 G N 0.187 108.992 108.800 0.010 0.000 5.252 427 G HA2 0.210 4.170 3.960 -0.000 0.000 0.214 427 G HA3 0.210 4.170 3.960 -0.000 0.000 0.214 427 G C -0.476 174.393 174.900 -0.052 0.000 0.817 427 G CA -0.215 44.868 45.100 -0.028 0.000 0.715 427 G HN 0.413 nan 8.290 nan 0.000 0.480 428 L N 1.022 122.228 121.223 -0.028 0.000 2.121 428 L HA 0.558 4.897 4.340 -0.000 0.000 0.200 428 L C 1.202 178.017 176.870 -0.091 0.000 1.132 428 L CA 1.793 56.589 54.840 -0.074 0.000 0.782 428 L CB -0.272 41.778 42.059 -0.016 0.000 0.940 428 L HN 0.250 nan 8.230 nan 0.000 0.458 429 S N -1.131 114.565 115.700 -0.007 0.000 2.634 429 S HA 0.840 5.310 4.470 -0.000 0.000 0.296 429 S C -0.566 174.090 174.600 0.094 0.000 1.104 429 S CA -0.016 58.199 58.200 0.025 0.000 0.920 429 S CB 1.587 64.833 63.200 0.076 0.000 1.111 429 S HN 0.650 nan 8.310 nan 0.000 0.493 430 S N -0.084 115.699 115.700 0.139 0.000 2.543 430 S HA 0.799 5.269 4.470 -0.000 0.000 0.274 430 S C -1.252 173.599 174.600 0.417 0.000 1.149 430 S CA -0.727 57.648 58.200 0.291 0.000 0.866 430 S CB 1.260 64.602 63.200 0.238 0.000 1.111 430 S HN 0.857 nan 8.310 nan 0.000 0.457 431 S N 1.298 117.271 115.700 0.454 0.000 2.548 431 S HA 0.697 5.167 4.470 -0.000 0.000 0.276 431 S C -0.601 174.027 174.600 0.047 0.000 1.129 431 S CA -0.886 57.495 58.200 0.302 0.000 0.931 431 S CB 1.111 64.471 63.200 0.267 0.000 1.068 431 S HN 1.049 nan 8.310 nan 0.000 0.480 432 I N -0.906 119.479 120.570 -0.309 0.000 2.562 432 I HA 0.768 4.938 4.170 -0.000 0.000 0.301 432 I C -1.601 174.378 176.117 -0.230 0.000 1.003 432 I CA -0.850 60.250 61.300 -0.334 0.000 1.127 432 I CB 1.229 38.785 38.000 -0.739 0.000 1.304 432 I HN 0.409 nan 8.210 nan 0.000 0.446 433 F N 3.097 123.092 119.950 0.074 0.000 2.403 433 F HA 0.710 5.237 4.527 -0.000 0.000 0.355 433 F C 0.343 176.243 175.800 0.166 0.000 1.119 433 F CA -0.346 57.716 58.000 0.104 0.000 1.007 433 F CB 1.857 40.925 39.000 0.114 0.000 1.194 433 F HN 0.686 nan 8.300 nan 0.000 0.443 434 T N 1.816 116.460 114.554 0.151 0.000 2.775 434 T HA 0.301 4.651 4.350 -0.000 0.000 0.320 434 T C -0.066 174.646 174.700 0.021 0.000 1.597 434 T CA -0.711 61.442 62.100 0.089 0.000 1.022 434 T CB 1.429 70.251 68.868 -0.075 0.000 1.485 434 T HN 0.632 nan 8.240 nan 0.000 0.494 435 K N 0.575 120.984 120.400 0.014 0.000 2.358 435 K HA 0.201 4.521 4.320 -0.000 0.000 0.200 435 K C 0.061 176.654 176.600 -0.011 0.000 1.030 435 K CA -0.343 55.948 56.287 0.007 0.000 1.097 435 K CB 0.460 32.974 32.500 0.024 0.000 0.862 435 K HN 0.435 nan 8.250 nan 0.000 0.534 436 D N 1.842 122.214 120.400 -0.046 0.000 2.336 436 D HA -0.022 4.618 4.640 -0.000 0.000 0.249 436 D C 0.928 177.222 176.300 -0.010 0.000 1.213 436 D CA -0.119 53.853 54.000 -0.047 0.000 0.870 436 D CB 1.176 41.910 40.800 -0.109 0.000 1.076 436 D HN -0.066 nan 8.370 nan 0.000 0.483 437 L N 5.577 126.824 121.223 0.040 0.000 2.013 437 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 437 L C 2.190 179.177 176.870 0.194 0.000 1.073 437 L CA 2.533 57.450 54.840 0.128 0.000 0.753 437 L CB -0.785 41.338 42.059 0.107 0.000 0.890 437 L HN 0.595 nan 8.230 nan 0.000 0.432 438 G N -1.131 107.730 108.800 0.102 0.000 2.418 438 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 438 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 438 G C 1.796 176.765 174.900 0.116 0.000 1.158 438 G CA 0.786 45.949 45.100 0.105 0.000 0.771 438 G HN 0.429 nan 8.290 nan 0.000 0.545 439 R N 0.027 120.541 120.500 0.023 0.000 2.091 439 R HA -0.002 4.338 4.340 -0.000 0.000 0.238 439 R C 2.553 178.910 176.300 0.096 0.000 1.136 439 R CA 1.243 57.335 56.100 -0.013 0.000 0.959 439 R CB -0.332 29.815 30.300 -0.254 0.000 0.856 439 R HN 0.436 nan 8.270 nan 0.000 0.437 440 I N -0.103 120.495 120.570 0.046 0.000 2.179 440 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 440 I C 1.771 177.878 176.117 -0.015 0.000 1.088 440 I CA 1.431 62.730 61.300 -0.002 0.000 1.357 440 I CB -0.269 37.677 38.000 -0.089 0.000 1.051 440 I HN 0.145 nan 8.210 nan 0.000 0.409 441 F N 0.707 120.705 119.950 0.081 0.000 2.325 441 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 441 F C 2.619 178.474 175.800 0.092 0.000 1.090 441 F CA 1.075 59.116 58.000 0.067 0.000 1.392 441 F CB -0.371 38.649 39.000 0.033 0.000 1.053 441 F HN -0.112 nan 8.300 nan 0.000 0.521 442 R N -0.687 119.980 120.500 0.278 0.000 2.092 442 R HA -0.206 4.134 4.340 -0.000 0.000 0.231 442 R C 2.264 178.747 176.300 0.306 0.000 1.119 442 R CA 1.401 57.668 56.100 0.277 0.000 0.970 442 R CB -0.869 29.607 30.300 0.294 0.000 0.864 442 R HN 0.490 nan 8.270 nan 0.000 0.440 443 W N 1.706 123.034 121.300 0.047 0.000 2.342 443 W HA -0.187 4.473 4.660 -0.000 0.000 0.297 443 W C 1.071 177.442 176.519 -0.247 0.000 1.213 443 W CA 1.164 58.331 57.345 -0.297 0.000 1.251 443 W CB 0.013 29.298 29.460 -0.291 0.000 1.136 443 W HN 0.095 nan 8.180 nan 0.000 0.526 444 L N 0.289 121.441 121.223 -0.118 0.000 2.478 444 L HA 0.134 4.474 4.340 -0.000 0.000 0.223 444 L C 1.606 178.389 176.870 -0.144 0.000 1.140 444 L CA 0.455 55.161 54.840 -0.223 0.000 0.842 444 L CB -1.110 40.839 42.059 -0.184 0.000 0.953 444 L HN -0.124 nan 8.230 nan 0.000 0.452 445 G N -0.114 108.650 108.800 -0.059 0.000 2.583 445 G HA2 0.280 4.240 3.960 -0.000 0.000 0.280 445 G HA3 0.280 4.240 3.960 -0.000 0.000 0.280 445 G C -1.753 173.115 174.900 -0.054 0.000 1.376 445 G CA -0.528 44.561 45.100 -0.019 0.000 1.043 445 G HN -0.110 nan 8.290 nan 0.000 0.538 446 P HA 0.045 nan 4.420 nan 0.000 0.223 446 P C 0.763 178.051 177.300 -0.020 0.000 1.151 446 P CA 0.901 63.982 63.100 -0.031 0.000 0.787 446 P CB 0.340 32.033 31.700 -0.011 0.000 0.788 447 K N -0.262 120.151 120.400 0.022 0.000 2.399 447 K HA 0.306 4.626 4.320 -0.000 0.000 0.204 447 K C 1.273 177.948 176.600 0.126 0.000 1.023 447 K CA -0.003 56.325 56.287 0.069 0.000 1.127 447 K CB 0.500 33.058 32.500 0.097 0.000 0.856 447 K HN 0.113 nan 8.250 nan 0.000 0.514 448 G N 0.649 109.436 108.800 -0.021 0.000 2.882 448 G HA2 0.061 4.021 3.960 -0.000 0.000 0.164 448 G HA3 0.061 4.021 3.960 -0.000 0.000 0.164 448 G C -0.432 174.177 174.900 -0.485 0.000 1.429 448 G CA -0.341 44.615 45.100 -0.239 0.000 1.059 448 G HN 0.126 nan 8.290 nan 0.000 0.581 449 S N 0.114 115.196 115.700 -1.029 0.000 2.560 449 S HA 0.131 4.601 4.470 -0.000 0.000 0.284 449 S C 0.816 175.091 174.600 -0.542 0.000 1.327 449 S CA 0.348 57.946 58.200 -1.004 0.000 1.055 449 S CB 0.667 62.834 63.200 -1.722 0.000 0.868 449 S HN 0.545 nan 8.310 nan 0.000 0.506 450 D N 2.492 122.689 120.400 -0.338 0.000 2.325 450 D HA 0.135 4.775 4.640 -0.000 0.000 0.225 450 D C 0.318 176.496 176.300 -0.204 0.000 1.096 450 D CA -0.249 53.618 54.000 -0.220 0.000 0.844 450 D CB -0.832 39.888 40.800 -0.133 0.000 0.925 450 D HN 0.277 nan 8.370 nan 0.000 0.513 451 C N -0.302 118.843 119.300 -0.258 0.000 2.403 451 C HA 0.669 5.129 4.460 -0.000 0.000 0.361 451 C C 2.215 177.079 174.990 -0.210 0.000 1.274 451 C CA -0.214 58.685 59.018 -0.198 0.000 2.433 451 C CB 1.105 28.741 27.740 -0.173 0.000 2.323 451 C HN 0.461 nan 8.230 nan 0.000 0.614 452 G N 0.199 108.885 108.800 -0.189 0.000 2.511 452 G HA2 0.142 4.102 3.960 -0.000 0.000 0.217 452 G HA3 0.142 4.102 3.960 -0.000 0.000 0.217 452 G C 0.311 175.080 174.900 -0.219 0.000 1.133 452 G CA 0.554 45.529 45.100 -0.208 0.000 0.792 452 G HN 0.687 nan 8.290 nan 0.000 0.539 453 I N 0.957 121.406 120.570 -0.203 0.000 2.418 453 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 453 I C -1.159 174.880 176.117 -0.131 0.000 1.008 453 I CA -0.770 60.439 61.300 -0.151 0.000 1.104 453 I CB 2.722 40.652 38.000 -0.115 0.000 1.264 453 I HN -0.304 nan 8.210 nan 0.000 0.438 454 V N 5.758 125.586 119.914 -0.142 0.000 2.398 454 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 454 V C -0.549 175.543 176.094 -0.005 0.000 1.014 454 V CA -0.647 61.537 62.300 -0.194 0.000 0.838 454 V CB 1.260 32.792 31.823 -0.486 0.000 1.018 454 V HN 0.642 nan 8.190 nan 0.000 0.432 455 N N 2.476 121.295 118.700 0.199 0.000 2.404 455 N HA 0.775 5.515 4.740 -0.000 0.000 0.297 455 N C -0.933 174.670 175.510 0.155 0.000 1.163 455 N CA -0.448 52.684 53.050 0.136 0.000 0.864 455 N CB 2.565 41.107 38.487 0.092 0.000 1.247 455 N HN 0.333 nan 8.380 nan 0.000 0.510 456 V N 2.303 122.196 119.914 -0.036 0.000 2.525 456 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 456 V C -0.104 175.784 176.094 -0.342 0.000 1.034 456 V CA -0.770 61.416 62.300 -0.190 0.000 0.863 456 V CB 1.252 33.005 31.823 -0.117 0.000 0.999 456 V HN 0.704 nan 8.190 nan 0.000 0.423 457 N N 2.319 120.575 118.700 -0.740 0.000 2.741 457 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 457 N C -0.559 174.663 175.510 -0.480 0.000 1.112 457 N CA 1.440 53.987 53.050 -0.839 0.000 0.750 457 N CB -0.635 37.688 38.487 -0.274 0.000 1.119 457 N HN 0.781 nan 8.380 nan 0.000 0.561 458 I N -0.643 119.676 120.570 -0.418 0.000 2.722 458 I HA 0.447 4.617 4.170 -0.000 0.000 0.295 458 I C -2.390 173.796 176.117 0.116 0.000 1.161 458 I CA -1.974 59.320 61.300 -0.010 0.000 1.032 458 I CB 2.755 40.763 38.000 0.013 0.000 1.244 458 I HN -0.261 nan 8.210 nan 0.000 0.421 459 P HA 0.148 nan 4.420 nan 0.000 0.293 459 P C 0.505 177.975 177.300 0.284 0.000 1.298 459 P CA 0.123 63.461 63.100 0.396 0.000 0.757 459 P CB 0.163 32.120 31.700 0.428 0.000 1.262 460 T N -4.202 110.518 114.554 0.276 0.000 2.995 460 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 460 T C 1.444 176.273 174.700 0.215 0.000 1.091 460 T CA 1.066 63.302 62.100 0.227 0.000 1.128 460 T CB -1.261 67.738 68.868 0.219 0.000 0.891 460 T HN 0.291 nan 8.240 nan 0.000 0.492 461 S N 1.194 117.038 115.700 0.240 0.000 2.603 461 S HA 0.307 4.777 4.470 -0.000 0.000 0.220 461 S C 1.279 176.022 174.600 0.239 0.000 0.967 461 S CA -0.166 58.183 58.200 0.249 0.000 0.920 461 S CB -0.202 63.155 63.200 0.262 0.000 0.773 461 S HN 0.770 nan 8.310 nan 0.000 0.529 462 G N 1.649 110.574 108.800 0.208 0.000 2.389 462 G HA2 0.524 4.484 3.960 -0.000 0.000 0.287 462 G HA3 0.524 4.484 3.960 -0.000 0.000 0.287 462 G C -0.324 174.649 174.900 0.122 0.000 1.126 462 G CA 0.107 45.297 45.100 0.150 0.000 1.073 462 G HN 0.496 nan 8.290 nan 0.000 0.429 463 A N 3.072 125.955 122.820 0.105 0.000 2.605 463 A HA 0.842 5.162 4.320 -0.000 0.000 0.294 463 A C -0.553 177.038 177.584 0.012 0.000 1.062 463 A CA -0.816 51.267 52.037 0.077 0.000 0.682 463 A CB 1.562 20.669 19.000 0.178 0.000 1.278 463 A HN 0.892 nan 8.150 nan 0.000 0.410 464 E N 0.384 120.560 120.200 -0.041 0.000 2.446 464 E HA 0.547 4.897 4.350 -0.000 0.000 0.276 464 E C 0.330 176.828 176.600 -0.171 0.000 0.969 464 E CA -0.445 55.909 56.400 -0.076 0.000 0.800 464 E CB 1.218 30.891 29.700 -0.046 0.000 1.341 464 E HN 0.824 nan 8.360 nan 0.000 0.460 465 I N -1.639 118.808 120.570 -0.206 0.000 2.676 465 I HA 0.111 4.281 4.170 -0.000 0.000 0.259 465 I C 1.705 177.530 176.117 -0.486 0.000 1.194 465 I CA 1.299 62.381 61.300 -0.363 0.000 1.473 465 I CB -0.327 37.481 38.000 -0.320 0.000 1.096 465 I HN 0.610 nan 8.210 nan 0.000 0.443 466 G N 1.210 109.798 108.800 -0.352 0.000 2.471 466 G HA2 0.095 4.055 3.960 -0.000 0.000 0.219 466 G HA3 0.095 4.055 3.960 -0.000 0.000 0.219 466 G C 0.861 175.664 174.900 -0.162 0.000 1.125 466 G CA 0.505 45.432 45.100 -0.288 0.000 0.775 466 G HN 0.589 nan 8.290 nan 0.000 0.548 467 G N -0.820 107.887 108.800 -0.155 0.000 2.462 467 G HA2 0.586 4.546 3.960 -0.000 0.000 0.319 467 G HA3 0.586 4.546 3.960 -0.000 0.000 0.319 467 G C -0.186 174.639 174.900 -0.125 0.000 1.171 467 G CA 0.054 45.092 45.100 -0.103 0.000 0.920 467 G HN 0.455 nan 8.290 nan 0.000 0.499 468 A N 0.052 122.818 122.820 -0.090 0.000 2.401 468 A HA 0.550 4.870 4.320 -0.000 0.000 0.259 468 A C -0.948 176.581 177.584 -0.092 0.000 1.103 468 A CA -0.277 51.706 52.037 -0.090 0.000 0.789 468 A CB 0.187 19.139 19.000 -0.080 0.000 1.035 468 A HN 0.740 nan 8.150 nan 0.000 0.491 469 F N 2.566 122.356 119.950 -0.266 0.000 2.426 469 F HA 0.645 5.172 4.527 -0.000 0.000 0.348 469 F C 0.464 176.156 175.800 -0.180 0.000 1.124 469 F CA 0.847 58.678 58.000 -0.281 0.000 1.008 469 F CB 1.376 40.065 39.000 -0.518 0.000 1.139 469 F HN 1.009 nan 8.300 nan 0.000 0.452 470 G N 2.668 110.980 108.800 -0.814 0.000 2.327 470 G HA2 0.460 4.419 3.960 -0.000 0.000 0.291 470 G HA3 0.460 4.419 3.960 -0.000 0.000 0.291 470 G C -1.474 173.172 174.900 -0.423 0.000 1.290 470 G CA -0.201 44.577 45.100 -0.537 0.000 0.857 470 G HN 1.085 nan 8.290 nan 0.000 0.520 471 G N -1.519 107.136 108.800 -0.240 0.000 3.022 471 G HA2 0.723 4.683 3.960 -0.000 0.000 0.284 471 G HA3 0.723 4.683 3.960 -0.000 0.000 0.284 471 G C -1.307 173.533 174.900 -0.099 0.000 1.375 471 G CA -0.385 44.614 45.100 -0.169 0.000 0.902 471 G HN 0.547 nan 8.290 nan 0.000 0.538 472 E N -0.267 119.889 120.200 -0.074 0.000 2.334 472 E HA 0.453 4.803 4.350 -0.000 0.000 0.256 472 E C 0.030 176.630 176.600 0.001 0.000 0.958 472 E CA -0.586 55.787 56.400 -0.046 0.000 0.821 472 E CB 1.857 31.518 29.700 -0.065 0.000 1.269 472 E HN 0.649 nan 8.360 nan 0.000 0.413 473 K N -0.298 120.116 120.400 0.024 0.000 1.791 473 K HA -0.288 4.032 4.320 -0.000 0.000 0.140 473 K C 1.298 178.001 176.600 0.170 0.000 1.312 473 K CA 1.551 57.896 56.287 0.097 0.000 0.382 473 K CB -1.139 31.398 32.500 0.062 0.000 0.635 473 K HN 0.645 nan 8.250 nan 0.000 0.838 474 H N 0.889 119.961 119.070 0.002 0.000 2.559 474 H HA -0.002 4.554 4.556 -0.000 0.000 0.273 474 H C 1.478 176.821 175.328 0.025 0.000 1.000 474 H CA 1.081 57.138 56.048 0.015 0.000 1.195 474 H CB 0.017 29.794 29.762 0.026 0.000 1.368 474 H HN 0.405 nan 8.280 nan 0.000 0.592 475 T N -0.946 113.684 114.554 0.125 0.000 3.007 475 T HA -0.011 4.339 4.350 -0.000 0.000 0.270 475 T C 1.852 176.583 174.700 0.051 0.000 1.107 475 T CA 0.978 63.122 62.100 0.073 0.000 1.118 475 T CB 0.053 68.937 68.868 0.026 0.000 0.889 475 T HN 0.719 nan 8.240 nan 0.000 0.506 476 G N 0.135 108.955 108.800 0.034 0.000 2.238 476 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.217 476 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.217 476 G C 1.063 175.962 174.900 -0.001 0.000 0.996 476 G CA 0.245 45.356 45.100 0.017 0.000 0.632 476 G HN 1.267 nan 8.290 nan 0.000 0.503 477 G N -0.736 108.055 108.800 -0.015 0.000 2.217 477 G HA2 0.205 4.165 3.960 -0.000 0.000 0.246 477 G HA3 0.205 4.165 3.960 -0.000 0.000 0.246 477 G C 1.540 176.414 174.900 -0.042 0.000 0.990 477 G CA 1.062 46.142 45.100 -0.034 0.000 0.627 477 G HN 2.140 nan 8.290 nan 0.000 0.522 478 G N -0.294 108.491 108.800 -0.024 0.000 2.606 478 G HA2 0.549 4.509 3.960 -0.000 0.000 0.252 478 G HA3 0.549 4.509 3.960 -0.000 0.000 0.252 478 G C -0.033 174.844 174.900 -0.037 0.000 1.206 478 G CA -0.187 44.897 45.100 -0.028 0.000 0.861 478 G HN 0.399 nan 8.290 nan 0.000 0.561 479 R N -0.080 120.400 120.500 -0.032 0.000 2.795 479 R HA 0.505 4.845 4.340 -0.000 0.000 0.275 479 R C -0.715 175.616 176.300 0.053 0.000 0.981 479 R CA -0.669 55.418 56.100 -0.021 0.000 0.917 479 R CB 2.275 32.540 30.300 -0.058 0.000 1.202 479 R HN 0.725 nan 8.270 nan 0.000 0.469 480 E N -0.206 120.029 120.200 0.059 0.000 2.392 480 E HA 0.447 4.797 4.350 -0.000 0.000 0.269 480 E C -0.349 176.182 176.600 -0.116 0.000 0.924 480 E CA -0.654 55.793 56.400 0.078 0.000 0.784 480 E CB 2.386 32.167 29.700 0.134 0.000 1.292 480 E HN 0.608 nan 8.360 nan 0.000 0.447 481 S N -0.548 115.076 115.700 -0.128 0.000 4.158 481 S HA -0.188 4.282 4.470 -0.000 0.000 0.621 481 S C 0.751 175.285 174.600 -0.110 0.000 1.867 481 S CA 1.022 59.056 58.200 -0.278 0.000 4.249 481 S CB -1.653 61.121 63.200 -0.710 0.000 0.202 481 S HN 0.842 nan 8.310 nan 0.000 0.457 482 G N 0.263 108.960 108.800 -0.172 0.000 2.606 482 G HA2 0.595 4.555 3.960 -0.000 0.000 0.262 482 G HA3 0.595 4.555 3.960 -0.000 0.000 0.262 482 G C 0.545 175.491 174.900 0.076 0.000 1.394 482 G CA 0.922 45.984 45.100 -0.062 0.000 1.044 482 G HN 1.911 nan 8.290 nan 0.000 0.553 483 S N -0.731 115.044 115.700 0.125 0.000 3.711 483 S HA -0.313 4.157 4.470 -0.000 0.000 0.625 483 S C 0.929 175.615 174.600 0.143 0.000 2.458 483 S CA 2.131 60.395 58.200 0.106 0.000 4.059 483 S CB -1.343 61.864 63.200 0.013 0.000 0.257 483 S HN 1.321 nan 8.310 nan 0.000 0.974 484 D N 1.374 121.763 120.400 -0.017 0.000 2.561 484 D HA 0.575 5.215 4.640 -0.000 0.000 0.232 484 D C 1.120 177.161 176.300 -0.432 0.000 1.198 484 D CA 0.786 54.613 54.000 -0.289 0.000 0.826 484 D CB -0.466 40.093 40.800 -0.402 0.000 0.992 484 D HN 0.737 nan 8.370 nan 0.000 0.490 485 A N 1.027 123.779 122.820 -0.114 0.000 2.024 485 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 485 A C 1.931 179.562 177.584 0.077 0.000 1.164 485 A CA 1.211 53.234 52.037 -0.023 0.000 0.643 485 A CB -1.344 17.706 19.000 0.083 0.000 0.806 485 A HN 0.674 nan 8.150 nan 0.000 0.451 486 W N 0.411 121.769 121.300 0.097 0.000 2.364 486 W HA -0.166 4.494 4.660 -0.000 0.000 0.281 486 W C 1.164 177.749 176.519 0.111 0.000 1.219 486 W CA 1.176 58.597 57.345 0.127 0.000 1.220 486 W CB -0.780 28.660 29.460 -0.034 0.000 1.127 486 W HN 0.287 nan 8.180 nan 0.000 0.556 487 K N 1.025 120.906 120.400 -0.865 0.000 2.281 487 K HA -0.193 4.127 4.320 -0.000 0.000 0.203 487 K C 2.132 178.647 176.600 -0.142 0.000 1.046 487 K CA 1.889 57.640 56.287 -0.892 0.000 0.938 487 K CB -0.322 31.388 32.500 -1.316 0.000 0.737 487 K HN 0.307 nan 8.250 nan 0.000 0.458 488 Q N -0.654 119.094 119.800 -0.088 0.000 2.364 488 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 488 Q C 0.554 176.470 176.000 -0.139 0.000 0.970 488 Q CA 1.080 56.803 55.803 -0.135 0.000 0.888 488 Q CB 0.142 28.697 28.738 -0.305 0.000 0.951 488 Q HN 0.459 nan 8.270 nan 0.000 0.469 489 Y N -0.890 119.485 120.300 0.126 0.000 2.524 489 Y HA 0.300 4.850 4.550 -0.000 0.000 0.266 489 Y C 0.355 176.399 175.900 0.240 0.000 1.180 489 Y CA -0.180 58.025 58.100 0.173 0.000 1.244 489 Y CB 0.448 39.018 38.460 0.184 0.000 1.125 489 Y HN -0.011 nan 8.280 nan 0.000 0.524 490 M N 0.158 120.003 119.600 0.407 0.000 2.618 490 M HA 0.439 4.919 4.480 -0.000 0.000 0.281 490 M C -0.944 175.633 176.300 0.462 0.000 1.267 490 M CA -1.004 54.586 55.300 0.483 0.000 0.845 490 M CB 3.099 36.111 32.600 0.686 0.000 1.732 490 M HN -0.000 nan 8.290 nan 0.000 0.461 491 R N 0.864 121.572 120.500 0.346 0.000 2.393 491 R HA 0.655 4.995 4.340 -0.000 0.000 0.310 491 R C -0.788 175.444 176.300 -0.113 0.000 0.968 491 R CA -0.893 55.285 56.100 0.130 0.000 0.867 491 R CB 1.890 32.226 30.300 0.061 0.000 1.124 491 R HN 0.640 nan 8.270 nan 0.000 0.450 492 R N 2.078 122.279 120.500 -0.499 0.000 2.357 492 R HA 0.198 4.537 4.340 -0.000 0.000 0.296 492 R C -0.922 175.083 176.300 -0.492 0.000 1.052 492 R CA -0.211 55.271 56.100 -1.029 0.000 0.988 492 R CB 1.074 30.676 30.300 -1.164 0.000 1.025 492 R HN 0.964 nan 8.270 nan 0.000 0.469 493 S N 1.673 117.111 115.700 -0.437 0.000 2.526 493 S HA 0.416 4.886 4.470 -0.000 0.000 0.293 493 S C -0.790 173.688 174.600 -0.203 0.000 1.092 493 S CA -0.791 57.268 58.200 -0.235 0.000 0.980 493 S CB 2.180 65.300 63.200 -0.132 0.000 1.048 493 S HN 0.490 nan 8.310 nan 0.000 0.483 494 T N 2.200 116.676 114.554 -0.130 0.000 2.772 494 T HA 0.528 4.878 4.350 -0.000 0.000 0.288 494 T C -0.751 173.922 174.700 -0.044 0.000 0.994 494 T CA -0.427 61.624 62.100 -0.081 0.000 0.951 494 T CB -0.116 68.711 68.868 -0.068 0.000 0.933 494 T HN 0.817 nan 8.240 nan 0.000 0.447 495 C N 3.581 122.869 119.300 -0.021 0.000 2.346 495 C HA 0.632 5.092 4.460 -0.000 0.000 0.326 495 C C 0.595 175.600 174.990 0.026 0.000 1.224 495 C CA -0.945 58.073 59.018 -0.000 0.000 1.408 495 C CB 0.544 28.285 27.740 0.002 0.000 2.089 495 C HN 0.820 nan 8.230 nan 0.000 0.456 496 T N 4.293 118.869 114.554 0.036 0.000 2.758 496 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 496 T C -0.266 174.480 174.700 0.076 0.000 0.981 496 T CA -0.037 62.105 62.100 0.070 0.000 0.965 496 T CB 0.449 69.363 68.868 0.076 0.000 0.927 496 T HN 0.485 nan 8.240 nan 0.000 0.448 497 I N 3.851 124.476 120.570 0.091 0.000 2.382 497 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 497 I C 0.060 176.158 176.117 -0.033 0.000 1.007 497 I CA -0.922 60.413 61.300 0.060 0.000 1.142 497 I CB 1.213 39.273 38.000 0.101 0.000 1.289 497 I HN 0.438 nan 8.210 nan 0.000 0.453 498 N N 6.211 124.789 118.700 -0.204 0.000 2.402 498 N HA 0.027 4.767 4.740 -0.000 0.000 0.252 498 N C 0.143 175.464 175.510 -0.313 0.000 1.118 498 N CA -0.153 52.528 53.050 -0.615 0.000 0.945 498 N CB 0.354 38.468 38.487 -0.623 0.000 1.147 498 N HN 0.488 nan 8.380 nan 0.000 0.495 499 Y N 1.273 121.438 120.300 -0.225 0.000 2.458 499 Y HA 0.389 4.939 4.550 -0.000 0.000 0.256 499 Y C 0.640 176.478 175.900 -0.102 0.000 1.159 499 Y CA -0.855 57.174 58.100 -0.119 0.000 1.261 499 Y CB -0.696 37.721 38.460 -0.071 0.000 1.119 499 Y HN 0.288 nan 8.280 nan 0.000 0.524 500 S N 0.000 115.531 115.700 -0.282 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.113 58.200 -0.145 0.000 1.107 500 S CB 0.000 63.048 63.200 -0.254 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517