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 1gph_1_4 DATA FIRST_RESID 1 DATA SEQUENCE CGVFGIWGHE EAPQITYYGL HSLQHRGQEG AGIVATDGEK LTAHKGQGLI DATA SEQUENCE TEVFQNGELS KVKGKGAIGH VRYATAGGGG YENVQPLLFR SQNNGSLALA DATA SEQUENCE HNGNLVNATQ LKQQLENQGS IFQTSSDTEV LAHLIKRSGH FTLKDQIKNS DATA SEQUENCE LSMLKGAYAF LIMTETEMIV ALDPNGLRPL SIGMMGDAYV VASETCAFDV DATA SEQUENCE VGATYLREVE PGEMLIINDE GMKSERFSMN INRSICSMEY IYFSRPDSNI DATA SEQUENCE DGINVHSARK NLGKMLAQES AVEADVVTGV PDSSISAAIG YAEATGIPYE DATA SEQUENCE LGLIKNRYVG RTFIQPSQAL REQGVRMKLS AVRGVVEGKR VVMVDDSIVR DATA SEQUENCE GTTSRRIVTM LREAGATEVH VKISSPPIAH PCFYGIDTST HEELIASSHS DATA SEQUENCE VDEIRQEIGA DTLSFLSVEG LLKGIGRKYD DSNCGQCLAC FTGKYPTEIY DATA SEQUENCE QDTVLPHVKE AVLTK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.944 174.990 -0.077 0.000 1.270 1 C CA 0.000 58.995 59.018 -0.039 0.000 1.963 1 C CB 0.000 27.688 27.740 -0.086 0.000 2.134 2 G N -0.376 108.294 108.800 -0.217 0.000 2.696 2 G HA2 0.858 4.818 3.960 -0.000 0.000 0.295 2 G HA3 0.858 4.818 3.960 -0.000 0.000 0.295 2 G C -1.268 173.604 174.900 -0.046 0.000 1.398 2 G CA 0.035 45.083 45.100 -0.087 0.000 0.920 2 G HN 1.872 nan 8.290 nan 0.000 0.492 3 V N -1.155 118.819 119.914 0.100 0.000 3.001 3 V HA 0.953 5.073 4.120 -0.000 0.000 0.314 3 V C -1.235 175.012 176.094 0.255 0.000 1.099 3 V CA -1.328 61.098 62.300 0.209 0.000 0.989 3 V CB 1.881 33.847 31.823 0.239 0.000 1.040 3 V HN 0.991 nan 8.190 nan 0.000 0.434 4 F N 1.204 121.231 119.950 0.128 0.000 2.608 4 F HA 0.912 5.439 4.527 -0.000 0.000 0.309 4 F C -0.039 175.858 175.800 0.162 0.000 1.103 4 F CA 0.327 58.408 58.000 0.136 0.000 0.954 4 F CB 2.107 41.166 39.000 0.099 0.000 1.267 4 F HN 1.108 nan 8.300 nan 0.000 0.444 5 G N 4.770 113.342 108.800 -0.381 0.000 2.696 5 G HA2 0.631 4.591 3.960 -0.000 0.000 0.295 5 G HA3 0.631 4.591 3.960 -0.000 0.000 0.295 5 G C -2.427 172.329 174.900 -0.240 0.000 1.398 5 G CA -0.773 44.269 45.100 -0.097 0.000 0.920 5 G HN 0.914 nan 8.290 nan 0.000 0.492 6 I N 0.685 121.280 120.570 0.042 0.000 2.571 6 I HA 0.598 4.768 4.170 -0.000 0.000 0.289 6 I C -1.679 174.563 176.117 0.207 0.000 1.115 6 I CA -1.077 60.288 61.300 0.109 0.000 1.045 6 I CB 1.728 39.832 38.000 0.173 0.000 1.238 6 I HN 0.630 nan 8.210 nan 0.000 0.424 7 W N 7.844 129.222 121.300 0.131 0.000 2.532 7 W HA 0.567 5.227 4.660 -0.000 0.000 0.321 7 W C 0.286 176.896 176.519 0.152 0.000 1.037 7 W CA -0.085 57.343 57.345 0.138 0.000 1.220 7 W CB 1.878 31.415 29.460 0.129 0.000 1.361 7 W HN 0.860 nan 8.180 nan 0.000 0.468 8 G N 3.772 112.370 108.800 -0.338 0.000 2.215 8 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.198 8 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.198 8 G C -0.890 173.973 174.900 -0.061 0.000 1.047 8 G CA -0.295 44.733 45.100 -0.120 0.000 0.747 8 G HN 0.763 nan 8.290 nan 0.000 0.495 9 H N -0.471 118.527 119.070 -0.120 0.000 2.782 9 H HA 0.469 5.025 4.556 -0.000 0.000 0.347 9 H C 0.674 175.962 175.328 -0.066 0.000 1.038 9 H CA -0.531 55.487 56.048 -0.050 0.000 1.255 9 H CB 2.081 31.847 29.762 0.007 0.000 1.623 9 H HN 0.059 nan 8.280 nan 0.000 0.525 10 E N 2.579 122.699 120.200 -0.132 0.000 2.338 10 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 10 E C 0.721 177.400 176.600 0.132 0.000 1.007 10 E CA 0.765 57.163 56.400 -0.005 0.000 0.849 10 E CB 0.363 30.024 29.700 -0.065 0.000 0.774 10 E HN 0.567 nan 8.360 nan 0.000 0.506 11 E N -1.482 118.965 120.200 0.411 0.000 2.569 11 E HA 0.305 4.655 4.350 -0.000 0.000 0.205 11 E C 1.116 177.786 176.600 0.117 0.000 1.006 11 E CA 0.375 56.915 56.400 0.233 0.000 0.985 11 E CB 0.097 29.936 29.700 0.231 0.000 1.060 11 E HN 0.213 nan 8.360 nan 0.000 0.460 12 A N 1.164 124.068 122.820 0.141 0.000 1.997 12 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 12 A C -0.537 177.083 177.584 0.059 0.000 1.172 12 A CA 1.312 53.397 52.037 0.080 0.000 0.645 12 A CB -1.069 17.967 19.000 0.061 0.000 0.813 12 A HN 0.274 nan 8.150 nan 0.000 0.454 13 P HA -0.067 nan 4.420 nan 0.000 0.220 13 P C 1.276 178.532 177.300 -0.073 0.000 1.152 13 P CA 1.105 64.206 63.100 0.001 0.000 0.812 13 P CB 0.026 31.732 31.700 0.010 0.000 0.792 14 Q N -0.784 118.973 119.800 -0.072 0.000 2.079 14 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 14 Q C 2.037 177.997 176.000 -0.066 0.000 0.974 14 Q CA 1.246 56.979 55.803 -0.117 0.000 0.840 14 Q CB -0.950 27.785 28.738 -0.005 0.000 0.898 14 Q HN 0.169 nan 8.270 nan 0.000 0.430 15 I N 0.229 120.804 120.570 0.009 0.000 2.286 15 I HA -0.213 3.956 4.170 -0.000 0.000 0.248 15 I C 1.770 177.821 176.117 -0.111 0.000 1.115 15 I CA 1.481 62.808 61.300 0.046 0.000 1.392 15 I CB -1.368 36.626 38.000 -0.009 0.000 1.065 15 I HN 0.227 nan 8.210 nan 0.000 0.418 16 T N 0.161 114.685 114.554 -0.049 0.000 2.867 16 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 16 T C 1.850 176.348 174.700 -0.336 0.000 1.057 16 T CA 1.145 63.163 62.100 -0.137 0.000 1.136 16 T CB -0.496 68.457 68.868 0.141 0.000 0.874 16 T HN 0.326 nan 8.240 nan 0.000 0.466 17 Y N 0.802 120.801 120.300 -0.501 0.000 2.181 17 Y HA -0.228 4.321 4.550 -0.000 0.000 0.288 17 Y C 1.931 177.444 175.900 -0.645 0.000 1.146 17 Y CA 1.252 58.953 58.100 -0.665 0.000 1.164 17 Y CB -0.343 37.605 38.460 -0.853 0.000 0.982 17 Y HN 0.223 nan 8.280 nan 0.000 0.515 18 Y N -0.545 119.665 120.300 -0.149 0.000 2.263 18 Y HA 0.034 4.584 4.550 -0.000 0.000 0.292 18 Y C 2.661 178.389 175.900 -0.287 0.000 1.130 18 Y CA 0.964 58.961 58.100 -0.173 0.000 1.179 18 Y CB -1.134 37.272 38.460 -0.090 0.000 0.998 18 Y HN 0.152 nan 8.280 nan 0.000 0.532 19 G N 0.012 108.524 108.800 -0.480 0.000 2.421 19 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 19 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 19 G C 1.714 176.320 174.900 -0.490 0.000 1.171 19 G CA 0.861 45.436 45.100 -0.875 0.000 0.775 19 G HN 0.348 nan 8.290 nan 0.000 0.543 20 L N -0.683 120.278 121.223 -0.437 0.000 2.141 20 L HA -0.056 4.283 4.340 -0.000 0.000 0.209 20 L C 2.601 179.362 176.870 -0.181 0.000 1.094 20 L CA 0.951 55.661 54.840 -0.216 0.000 0.763 20 L CB -0.440 41.505 42.059 -0.189 0.000 0.908 20 L HN 0.362 nan 8.230 nan 0.000 0.437 21 H N -0.169 118.697 119.070 -0.339 0.000 2.357 21 H HA -0.131 4.425 4.556 -0.000 0.000 0.301 21 H C 2.369 177.611 175.328 -0.144 0.000 1.082 21 H CA 1.697 57.579 56.048 -0.277 0.000 1.342 21 H CB 0.422 29.972 29.762 -0.353 0.000 1.389 21 H HN 0.364 nan 8.280 nan 0.000 0.511 22 S N 0.767 116.408 115.700 -0.099 0.000 2.400 22 S HA -0.115 4.355 4.470 -0.000 0.000 0.232 22 S C 1.920 176.495 174.600 -0.042 0.000 1.025 22 S CA 0.842 58.987 58.200 -0.091 0.000 0.993 22 S CB -0.404 62.765 63.200 -0.052 0.000 0.808 22 S HN 0.337 nan 8.310 nan 0.000 0.478 23 L N 1.121 122.317 121.223 -0.045 0.000 2.653 23 L HA 0.267 4.607 4.340 -0.000 0.000 0.232 23 L C 2.206 179.006 176.870 -0.118 0.000 1.169 23 L CA -0.046 54.775 54.840 -0.032 0.000 0.951 23 L CB -0.345 41.685 42.059 -0.048 0.000 1.181 23 L HN 0.231 nan 8.230 nan 0.000 0.460 24 Q N 0.681 120.412 119.800 -0.116 0.000 2.291 24 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 24 Q C 2.188 178.109 176.000 -0.133 0.000 0.970 24 Q CA 1.433 57.137 55.803 -0.165 0.000 0.876 24 Q CB -0.048 28.510 28.738 -0.301 0.000 0.935 24 Q HN 0.647 nan 8.270 nan 0.000 0.455 25 H N -1.332 117.593 119.070 -0.242 0.000 2.546 25 H HA 0.105 4.661 4.556 -0.000 0.000 0.277 25 H C 0.973 176.119 175.328 -0.304 0.000 1.004 25 H CA 0.857 56.744 56.048 -0.267 0.000 1.231 25 H CB -0.114 29.450 29.762 -0.329 0.000 1.382 25 H HN 0.279 nan 8.280 nan 0.000 0.580 26 R N 0.661 120.715 120.500 -0.743 0.000 2.299 26 R HA 0.222 4.562 4.340 -0.000 0.000 0.197 26 R C 0.155 176.498 176.300 0.072 0.000 0.971 26 R CA 0.613 56.440 56.100 -0.456 0.000 1.030 26 R CB 0.623 30.723 30.300 -0.335 0.000 0.932 26 R HN 0.436 nan 8.270 nan 0.000 0.477 27 G N 0.183 108.984 108.800 0.001 0.000 2.387 27 G HA2 0.118 4.077 3.960 -0.000 0.000 0.309 27 G HA3 0.118 4.077 3.960 -0.000 0.000 0.309 27 G C -0.862 174.011 174.900 -0.045 0.000 1.641 27 G CA -0.670 44.471 45.100 0.068 0.000 0.904 27 G HN -0.039 nan 8.290 nan 0.000 0.661 28 Q N 0.261 120.012 119.800 -0.081 0.000 2.171 28 Q HA 0.246 4.586 4.340 -0.000 0.000 0.218 28 Q C 1.258 177.232 176.000 -0.044 0.000 0.822 28 Q CA 0.057 55.824 55.803 -0.060 0.000 0.987 28 Q CB 1.199 29.900 28.738 -0.060 0.000 1.144 28 Q HN 0.591 nan 8.270 nan 0.000 0.494 29 E N 0.080 120.250 120.200 -0.049 0.000 2.489 29 E HA 0.295 4.645 4.350 -0.000 0.000 0.193 29 E C 0.289 176.892 176.600 0.006 0.000 1.057 29 E CA 0.391 56.775 56.400 -0.027 0.000 0.866 29 E CB 0.751 30.423 29.700 -0.045 0.000 0.916 29 E HN 0.266 nan 8.360 nan 0.000 0.500 30 G N -0.887 107.922 108.800 0.015 0.000 2.519 30 G HA2 0.640 4.600 3.960 -0.000 0.000 0.292 30 G HA3 0.640 4.600 3.960 -0.000 0.000 0.292 30 G C -1.685 173.239 174.900 0.039 0.000 1.507 30 G CA -0.213 44.898 45.100 0.019 0.000 0.806 30 G HN 0.145 nan 8.290 nan 0.000 0.523 31 A N -0.906 121.944 122.820 0.051 0.000 2.574 31 A HA 1.062 5.382 4.320 -0.000 0.000 0.297 31 A C -0.181 177.493 177.584 0.151 0.000 1.062 31 A CA 0.033 52.142 52.037 0.120 0.000 0.686 31 A CB 1.927 21.036 19.000 0.183 0.000 1.285 31 A HN 2.412 nan 8.150 nan 0.000 0.403 32 G N 0.064 108.995 108.800 0.219 0.000 2.732 32 G HA2 0.594 4.554 3.960 -0.000 0.000 0.296 32 G HA3 0.594 4.554 3.960 -0.000 0.000 0.296 32 G C -1.555 173.513 174.900 0.279 0.000 1.448 32 G CA -0.444 44.792 45.100 0.227 0.000 0.911 32 G HN 0.733 nan 8.290 nan 0.000 0.528 33 I N 0.853 121.633 120.570 0.350 0.000 2.509 33 I HA 0.543 4.712 4.170 -0.000 0.000 0.293 33 I C -0.511 175.736 176.117 0.217 0.000 1.020 33 I CA -1.179 60.276 61.300 0.258 0.000 1.088 33 I CB 2.361 40.489 38.000 0.214 0.000 1.267 33 I HN 0.176 nan 8.210 nan 0.000 0.430 34 V N 4.275 124.291 119.914 0.170 0.000 2.680 34 V HA 0.860 4.980 4.120 -0.000 0.000 0.309 34 V C -0.178 175.998 176.094 0.136 0.000 1.052 34 V CA -0.522 61.864 62.300 0.142 0.000 0.908 34 V CB 1.773 33.668 31.823 0.119 0.000 1.001 34 V HN 0.859 nan 8.190 nan 0.000 0.431 35 A N 2.106 124.995 122.820 0.115 0.000 2.475 35 A HA 0.880 5.200 4.320 -0.000 0.000 0.301 35 A C -0.559 177.069 177.584 0.074 0.000 1.059 35 A CA -0.593 51.495 52.037 0.086 0.000 0.710 35 A CB 2.241 21.282 19.000 0.068 0.000 1.288 35 A HN 0.739 nan 8.150 nan 0.000 0.408 36 T N 0.048 114.629 114.554 0.045 0.000 2.863 36 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 36 T C -0.102 174.588 174.700 -0.017 0.000 1.009 36 T CA 0.033 62.166 62.100 0.055 0.000 0.989 36 T CB 1.028 69.987 68.868 0.152 0.000 1.004 36 T HN 0.707 nan 8.240 nan 0.000 0.455 37 D N 2.215 122.624 120.400 0.014 0.000 2.369 37 D HA 0.210 4.850 4.640 -0.000 0.000 0.211 37 D C 1.331 177.649 176.300 0.029 0.000 1.077 37 D CA 0.606 54.603 54.000 -0.005 0.000 0.842 37 D CB 0.038 40.843 40.800 0.009 0.000 0.947 37 D HN 0.967 nan 8.370 nan 0.000 0.509 38 G N 1.103 109.952 108.800 0.082 0.000 2.258 38 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.233 38 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.233 38 G C 1.048 176.006 174.900 0.098 0.000 1.006 38 G CA 0.426 45.603 45.100 0.128 0.000 0.620 38 G HN 0.414 nan 8.290 nan 0.000 0.511 39 E N 0.479 120.722 120.200 0.071 0.000 2.110 39 E HA 0.325 4.675 4.350 -0.000 0.000 0.193 39 E C 1.153 177.789 176.600 0.061 0.000 0.950 39 E CA 1.380 57.815 56.400 0.058 0.000 0.840 39 E CB 0.179 29.905 29.700 0.044 0.000 0.809 39 E HN 0.711 nan 8.360 nan 0.000 0.465 40 K N -0.810 119.626 120.400 0.061 0.000 2.533 40 K HA 0.440 4.760 4.320 -0.000 0.000 0.272 40 K C -1.177 175.463 176.600 0.067 0.000 0.985 40 K CA -0.760 55.563 56.287 0.059 0.000 0.876 40 K CB 1.179 33.707 32.500 0.046 0.000 1.452 40 K HN -0.127 nan 8.250 nan 0.000 0.439 41 L N 1.373 122.636 121.223 0.068 0.000 2.307 41 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 41 L C -0.340 176.570 176.870 0.067 0.000 1.023 41 L CA -0.753 54.132 54.840 0.075 0.000 0.810 41 L CB 1.832 43.939 42.059 0.080 0.000 1.231 41 L HN 0.816 nan 8.230 nan 0.000 0.423 42 T N 2.141 116.739 114.554 0.073 0.000 2.908 42 T HA 0.869 5.219 4.350 -0.000 0.000 0.290 42 T C -0.814 173.947 174.700 0.102 0.000 1.034 42 T CA -0.264 61.883 62.100 0.078 0.000 1.010 42 T CB 1.861 70.769 68.868 0.068 0.000 1.068 42 T HN 0.788 nan 8.240 nan 0.000 0.481 43 A N 2.580 125.472 122.820 0.121 0.000 2.602 43 A HA 0.752 5.072 4.320 -0.000 0.000 0.290 43 A C -1.522 176.199 177.584 0.229 0.000 1.114 43 A CA -0.629 51.502 52.037 0.157 0.000 0.683 43 A CB 1.467 20.532 19.000 0.108 0.000 1.281 43 A HN 0.994 nan 8.150 nan 0.000 0.416 44 H N 0.357 119.511 119.070 0.139 0.000 3.085 44 H HA 0.592 5.148 4.556 -0.000 0.000 0.356 44 H C -1.427 173.914 175.328 0.022 0.000 1.178 44 H CA -0.188 55.887 56.048 0.046 0.000 1.214 44 H CB 1.684 31.425 29.762 -0.035 0.000 1.881 44 H HN 0.959 nan 8.280 nan 0.000 0.538 45 K N 2.664 122.635 120.400 -0.715 0.000 2.578 45 K HA 0.724 5.044 4.320 -0.000 0.000 0.287 45 K C -1.349 174.944 176.600 -0.512 0.000 1.010 45 K CA -0.717 55.277 56.287 -0.489 0.000 0.889 45 K CB 2.446 34.791 32.500 -0.258 0.000 1.514 45 K HN 0.735 nan 8.250 nan 0.000 0.424 46 G N 0.241 108.872 108.800 -0.283 0.000 2.322 46 G HA2 0.182 4.141 3.960 -0.000 0.000 0.295 46 G HA3 0.182 4.141 3.960 -0.000 0.000 0.295 46 G C -1.832 173.047 174.900 -0.036 0.000 1.369 46 G CA -0.989 44.066 45.100 -0.076 0.000 0.821 46 G HN 0.488 nan 8.290 nan 0.000 0.536 47 Q N -0.284 119.544 119.800 0.048 0.000 2.327 47 Q HA 0.508 4.848 4.340 -0.000 0.000 0.254 47 Q C 0.692 176.709 176.000 0.029 0.000 0.952 47 Q CA 0.972 56.797 55.803 0.037 0.000 0.884 47 Q CB 1.334 30.110 28.738 0.063 0.000 1.224 47 Q HN 1.881 nan 8.270 nan 0.000 0.422 48 G N 0.456 109.271 108.800 0.025 0.000 2.466 48 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.316 48 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.316 48 G C -1.346 173.578 174.900 0.039 0.000 1.270 48 G CA -1.132 43.986 45.100 0.029 0.000 0.982 48 G HN 0.363 nan 8.290 nan 0.000 0.506 49 L N 1.016 122.270 121.223 0.051 0.000 2.473 49 L HA 0.334 4.674 4.340 -0.000 0.000 0.268 49 L C 2.359 179.304 176.870 0.125 0.000 1.215 49 L CA -0.252 54.627 54.840 0.066 0.000 0.823 49 L CB 0.287 42.386 42.059 0.067 0.000 1.099 49 L HN 0.547 nan 8.230 nan 0.000 0.483 50 I N 0.011 120.660 120.570 0.131 0.000 2.361 50 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 50 I C 2.095 178.400 176.117 0.313 0.000 1.133 50 I CA 1.610 63.029 61.300 0.198 0.000 1.413 50 I CB -1.963 35.980 38.000 -0.094 0.000 1.073 50 I HN 0.844 nan 8.210 nan 0.000 0.424 51 T N -1.355 113.326 114.554 0.212 0.000 2.851 51 T HA -0.049 4.301 4.350 -0.000 0.000 0.262 51 T C 1.710 176.537 174.700 0.212 0.000 1.043 51 T CA 0.709 62.949 62.100 0.234 0.000 1.140 51 T CB -0.401 68.566 68.868 0.165 0.000 0.872 51 T HN 0.358 nan 8.240 nan 0.000 0.446 52 E N 0.852 121.147 120.200 0.159 0.000 2.077 52 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 52 E C 2.401 179.072 176.600 0.117 0.000 0.989 52 E CA 1.213 57.684 56.400 0.119 0.000 0.800 52 E CB -0.293 29.459 29.700 0.087 0.000 0.746 52 E HN 0.357 nan 8.360 nan 0.000 0.452 53 V N 0.481 120.472 119.914 0.129 0.000 2.283 53 V HA -0.168 3.952 4.120 -0.000 0.000 0.243 53 V C 0.869 176.952 176.094 -0.019 0.000 1.039 53 V CA 1.271 63.572 62.300 0.001 0.000 1.016 53 V CB -0.272 31.485 31.823 -0.110 0.000 0.650 53 V HN 0.113 nan 8.190 nan 0.000 0.449 54 F N 0.969 121.063 119.950 0.239 0.000 2.359 54 F HA 0.378 4.905 4.527 -0.000 0.000 0.355 54 F C 1.463 177.343 175.800 0.135 0.000 1.132 54 F CA -0.548 57.579 58.000 0.212 0.000 1.246 54 F CB 0.403 39.565 39.000 0.270 0.000 1.569 54 F HN -0.013 nan 8.300 nan 0.000 0.561 55 Q N 0.857 120.763 119.800 0.176 0.000 2.181 55 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 55 Q C 0.484 176.533 176.000 0.082 0.000 0.980 55 Q CA 1.130 57.002 55.803 0.115 0.000 0.862 55 Q CB -0.182 28.594 28.738 0.063 0.000 0.905 55 Q HN 0.728 nan 8.270 nan 0.000 0.429 56 N N -3.745 114.996 118.700 0.069 0.000 5.669 56 N HA -0.084 4.656 4.740 -0.000 0.000 0.403 56 N C 0.286 175.789 175.510 -0.012 0.000 1.656 56 N CA 1.706 54.768 53.050 0.020 0.000 2.286 56 N CB -0.869 37.603 38.487 -0.025 0.000 0.612 56 N HN 0.269 nan 8.380 nan 0.000 0.523 57 G N 0.589 109.371 108.800 -0.029 0.000 2.475 57 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.209 57 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.209 57 G C 0.751 175.610 174.900 -0.068 0.000 1.127 57 G CA 0.935 46.008 45.100 -0.044 0.000 0.681 57 G HN 0.628 nan 8.290 nan 0.000 0.517 58 E N 0.207 120.351 120.200 -0.095 0.000 2.216 58 E HA 0.234 4.584 4.350 -0.000 0.000 0.192 58 E C 2.300 178.943 176.600 0.070 0.000 0.988 58 E CA 0.921 57.217 56.400 -0.173 0.000 0.834 58 E CB -0.028 29.362 29.700 -0.516 0.000 0.772 58 E HN 0.379 nan 8.360 nan 0.000 0.479 59 L N 0.752 122.061 121.223 0.144 0.000 2.217 59 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 59 L C 1.699 178.581 176.870 0.019 0.000 1.107 59 L CA 1.470 56.367 54.840 0.095 0.000 0.783 59 L CB -0.441 41.527 42.059 -0.152 0.000 0.919 59 L HN 0.003 nan 8.230 nan 0.000 0.442 60 S N -0.949 114.748 115.700 -0.005 0.000 2.442 60 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 60 S C 1.631 176.234 174.600 0.005 0.000 1.007 60 S CA 0.690 58.884 58.200 -0.010 0.000 0.965 60 S CB -0.315 62.873 63.200 -0.020 0.000 0.773 60 S HN 0.382 nan 8.310 nan 0.000 0.504 61 K N 1.167 121.576 120.400 0.014 0.000 2.426 61 K HA 0.245 4.565 4.320 -0.000 0.000 0.193 61 K C 0.006 176.639 176.600 0.055 0.000 1.028 61 K CA 0.180 56.479 56.287 0.020 0.000 1.047 61 K CB 0.031 32.528 32.500 -0.005 0.000 0.821 61 K HN 0.280 nan 8.250 nan 0.000 0.513 62 V N 2.652 122.613 119.914 0.079 0.000 2.311 62 V HA 0.256 4.376 4.120 -0.000 0.000 0.275 62 V C -0.160 175.967 176.094 0.055 0.000 1.022 62 V CA -0.705 61.654 62.300 0.097 0.000 0.830 62 V CB 0.978 32.904 31.823 0.171 0.000 1.012 62 V HN 0.021 nan 8.190 nan 0.000 0.452 63 K N 2.898 123.323 120.400 0.042 0.000 2.318 63 K HA 0.920 5.240 4.320 -0.000 0.000 0.249 63 K C 0.043 176.652 176.600 0.015 0.000 0.942 63 K CA -0.660 55.641 56.287 0.024 0.000 0.808 63 K CB 2.643 35.153 32.500 0.017 0.000 1.189 63 K HN 0.884 nan 8.250 nan 0.000 0.428 64 G N 0.777 109.574 108.800 -0.005 0.000 2.325 64 G HA2 0.058 4.018 3.960 -0.000 0.000 0.297 64 G HA3 0.058 4.018 3.960 -0.000 0.000 0.297 64 G C -0.789 174.059 174.900 -0.088 0.000 1.448 64 G CA -0.685 44.390 45.100 -0.042 0.000 0.838 64 G HN 0.475 nan 8.290 nan 0.000 0.579 65 K N -0.305 119.980 120.400 -0.191 0.000 2.358 65 K HA 0.386 4.706 4.320 -0.000 0.000 0.197 65 K C 0.561 176.888 176.600 -0.454 0.000 1.025 65 K CA 0.638 56.772 56.287 -0.255 0.000 1.104 65 K CB 1.102 33.438 32.500 -0.275 0.000 0.855 65 K HN 1.366 nan 8.250 nan 0.000 0.531 66 G N 0.026 108.530 108.800 -0.493 0.000 2.746 66 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 66 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 66 G C -1.735 173.090 174.900 -0.124 0.000 1.426 66 G CA -0.327 44.454 45.100 -0.532 0.000 0.989 66 G HN 0.349 nan 8.290 nan 0.000 0.520 67 A N 1.012 123.869 122.820 0.062 0.000 2.604 67 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 67 A C -0.803 176.904 177.584 0.204 0.000 1.067 67 A CA -0.620 51.500 52.037 0.139 0.000 0.683 67 A CB 1.277 20.355 19.000 0.130 0.000 1.281 67 A HN 1.790 nan 8.150 nan 0.000 0.407 68 I N -1.233 119.462 120.570 0.209 0.000 2.892 68 I HA 0.998 5.168 4.170 -0.000 0.000 0.306 68 I C 0.073 176.331 176.117 0.234 0.000 1.078 68 I CA -0.941 60.493 61.300 0.223 0.000 1.032 68 I CB 2.428 40.548 38.000 0.201 0.000 1.229 68 I HN 0.929 nan 8.210 nan 0.000 0.435 69 G N 1.839 110.799 108.800 0.267 0.000 2.690 69 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 69 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 69 G C -2.227 172.850 174.900 0.295 0.000 1.403 69 G CA -0.473 44.778 45.100 0.252 0.000 0.864 69 G HN 0.937 nan 8.290 nan 0.000 0.480 70 H N -0.394 118.753 119.070 0.127 0.000 2.974 70 H HA 0.558 5.114 4.556 -0.000 0.000 0.366 70 H C -1.762 173.611 175.328 0.076 0.000 1.155 70 H CA -0.456 55.653 56.048 0.102 0.000 1.186 70 H CB 2.627 32.445 29.762 0.093 0.000 1.799 70 H HN 0.401 nan 8.280 nan 0.000 0.541 71 V N 5.724 125.428 119.914 -0.349 0.000 2.459 71 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 71 V C -0.034 175.836 176.094 -0.373 0.000 1.029 71 V CA -0.502 61.662 62.300 -0.227 0.000 0.874 71 V CB 1.615 33.339 31.823 -0.165 0.000 0.985 71 V HN 0.683 nan 8.190 nan 0.000 0.438 72 R N 3.889 124.320 120.500 -0.116 0.000 2.670 72 R HA 0.438 4.778 4.340 -0.000 0.000 0.289 72 R C -1.758 174.601 176.300 0.097 0.000 0.965 72 R CA -0.548 55.559 56.100 0.012 0.000 0.899 72 R CB 1.848 32.245 30.300 0.161 0.000 1.173 72 R HN 0.676 nan 8.270 nan 0.000 0.456 73 Y N 1.562 121.873 120.300 0.018 0.000 2.354 73 Y HA 0.593 5.143 4.550 -0.000 0.000 0.322 73 Y C -0.909 175.021 175.900 0.052 0.000 1.253 73 Y CA -0.023 58.104 58.100 0.045 0.000 1.272 73 Y CB 1.888 40.387 38.460 0.065 0.000 1.255 73 Y HN 0.721 nan 8.280 nan 0.000 0.500 74 A N 2.371 125.211 122.820 0.033 0.000 2.491 74 A HA 0.377 4.697 4.320 -0.000 0.000 0.293 74 A C 0.385 177.979 177.584 0.017 0.000 1.047 74 A CA -0.083 52.017 52.037 0.105 0.000 0.735 74 A CB 0.405 19.427 19.000 0.037 0.000 1.281 74 A HN 0.844 nan 8.150 nan 0.000 0.398 75 T N 0.414 115.056 114.554 0.147 0.000 2.674 75 T HA 0.163 4.512 4.350 -0.000 0.000 0.265 75 T C 1.106 175.791 174.700 -0.023 0.000 1.039 75 T CA 1.436 63.607 62.100 0.118 0.000 1.150 75 T CB -0.324 68.598 68.868 0.091 0.000 0.864 75 T HN 1.755 nan 8.240 nan 0.000 0.427 76 A N 1.992 124.766 122.820 -0.077 0.000 2.279 76 A HA 0.633 4.952 4.320 -0.000 0.000 0.306 76 A C 0.873 178.438 177.584 -0.031 0.000 1.300 76 A CA -0.416 51.577 52.037 -0.074 0.000 0.925 76 A CB -0.193 18.752 19.000 -0.091 0.000 1.152 76 A HN 0.586 nan 8.150 nan 0.000 0.544 77 G N 1.555 110.337 108.800 -0.030 0.000 2.272 77 G HA2 0.489 4.449 3.960 -0.000 0.000 0.274 77 G HA3 0.489 4.449 3.960 -0.000 0.000 0.274 77 G C 0.816 175.712 174.900 -0.006 0.000 1.136 77 G CA 0.830 45.913 45.100 -0.029 0.000 1.098 77 G HN 1.889 nan 8.290 nan 0.000 0.425 78 G N 1.476 110.279 108.800 0.004 0.000 1.800 78 G HA2 0.413 4.373 3.960 -0.000 0.000 0.054 78 G HA3 0.413 4.373 3.960 -0.000 0.000 0.054 78 G C 1.243 176.161 174.900 0.032 0.000 0.844 78 G CA 1.099 46.211 45.100 0.020 0.000 1.105 78 G HN 2.159 nan 8.290 nan 0.000 0.327 79 G N -0.166 108.655 108.800 0.033 0.000 2.377 79 G HA2 0.427 4.387 3.960 -0.000 0.000 0.250 79 G HA3 0.427 4.387 3.960 -0.000 0.000 0.250 79 G C 1.846 176.778 174.900 0.053 0.000 1.039 79 G CA 1.283 46.409 45.100 0.043 0.000 0.625 79 G HN 3.011 nan 8.290 nan 0.000 0.526 80 G N -2.376 106.462 108.800 0.062 0.000 2.640 80 G HA2 0.258 4.218 3.960 -0.000 0.000 0.686 80 G HA3 0.258 4.218 3.960 -0.000 0.000 0.686 80 G C -0.020 174.946 174.900 0.110 0.000 1.229 80 G CA 0.497 45.652 45.100 0.091 0.000 0.796 80 G HN 1.606 nan 8.290 nan 0.000 0.654 81 Y N 1.029 121.335 120.300 0.010 0.000 2.256 81 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 81 Y C 2.500 178.404 175.900 0.007 0.000 1.155 81 Y CA 2.911 61.012 58.100 0.001 0.000 1.203 81 Y CB 0.024 38.478 38.460 -0.010 0.000 0.980 81 Y HN 0.763 nan 8.280 nan 0.000 0.530 82 E N 0.412 120.719 120.200 0.179 0.000 2.136 82 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 82 E C 1.282 177.870 176.600 -0.019 0.000 1.019 82 E CA 1.862 58.318 56.400 0.094 0.000 0.819 82 E CB -0.428 29.334 29.700 0.103 0.000 0.739 82 E HN 0.505 nan 8.360 nan 0.000 0.458 83 N N 0.325 119.016 118.700 -0.014 0.000 2.268 83 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 83 N C -0.709 174.776 175.510 -0.041 0.000 1.124 83 N CA 0.052 53.099 53.050 -0.004 0.000 0.838 83 N CB 0.774 39.286 38.487 0.041 0.000 0.994 83 N HN -0.011 nan 8.380 nan 0.000 0.489 84 V N 1.973 121.797 119.914 -0.150 0.000 2.488 84 V HA 0.081 4.201 4.120 -0.000 0.000 0.277 84 V C 0.562 176.566 176.094 -0.150 0.000 1.046 84 V CA -0.144 62.063 62.300 -0.154 0.000 0.986 84 V CB 1.151 32.779 31.823 -0.325 0.000 0.989 84 V HN 0.116 nan 8.190 nan 0.000 0.475 85 Q N 5.467 125.239 119.800 -0.047 0.000 2.204 85 Q HA 0.421 4.761 4.340 -0.000 0.000 0.254 85 Q C -2.501 173.495 176.000 -0.007 0.000 0.981 85 Q CA -1.970 53.772 55.803 -0.102 0.000 0.897 85 Q CB 1.335 29.859 28.738 -0.356 0.000 1.273 85 Q HN 0.461 nan 8.270 nan 0.000 0.464 86 P HA 0.009 nan 4.420 nan 0.000 0.271 86 P C -1.035 176.225 177.300 -0.068 0.000 1.216 86 P CA -0.205 62.886 63.100 -0.015 0.000 0.776 86 P CB 0.444 32.175 31.700 0.053 0.000 0.881 87 L N 3.486 124.669 121.223 -0.067 0.000 2.395 87 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 87 L C 0.033 176.725 176.870 -0.297 0.000 1.133 87 L CA 0.125 54.844 54.840 -0.201 0.000 0.812 87 L CB 0.070 42.066 42.059 -0.104 0.000 1.125 87 L HN 0.302 nan 8.230 nan 0.000 0.452 88 L N 3.183 124.090 121.223 -0.528 0.000 2.385 88 L HA 0.537 4.877 4.340 -0.000 0.000 0.273 88 L C -1.453 175.005 176.870 -0.686 0.000 0.990 88 L CA -0.444 54.162 54.840 -0.390 0.000 0.821 88 L CB 1.626 43.588 42.059 -0.162 0.000 1.279 88 L HN 0.386 nan 8.230 nan 0.000 0.412 89 F N 3.165 123.113 119.950 -0.003 0.000 2.520 89 F HA 0.598 5.125 4.527 -0.000 0.000 0.322 89 F C 0.024 175.815 175.800 -0.015 0.000 1.103 89 F CA -0.813 57.172 58.000 -0.024 0.000 0.926 89 F CB 1.686 40.650 39.000 -0.061 0.000 1.154 89 F HN 0.237 nan 8.300 nan 0.000 0.453 90 R N 1.283 121.862 120.500 0.132 0.000 2.589 90 R HA 0.706 5.046 4.340 -0.000 0.000 0.293 90 R C -1.087 175.253 176.300 0.066 0.000 0.963 90 R CA -0.797 55.350 56.100 0.078 0.000 0.905 90 R CB 1.955 32.282 30.300 0.045 0.000 1.144 90 R HN 0.731 nan 8.270 nan 0.000 0.459 91 S N 0.772 116.499 115.700 0.045 0.000 2.736 91 S HA 0.190 4.660 4.470 -0.000 0.000 0.285 91 S C -0.634 173.978 174.600 0.021 0.000 1.163 91 S CA -0.966 57.248 58.200 0.024 0.000 1.025 91 S CB 2.125 65.330 63.200 0.008 0.000 1.030 91 S HN 0.428 nan 8.310 nan 0.000 0.486 92 Q N 2.252 122.062 119.800 0.018 0.000 2.327 92 Q HA 0.371 4.711 4.340 -0.000 0.000 0.254 92 Q C 0.243 176.250 176.000 0.012 0.000 0.952 92 Q CA 1.008 56.821 55.803 0.017 0.000 0.884 92 Q CB 0.277 29.024 28.738 0.015 0.000 1.224 92 Q HN 0.923 nan 8.270 nan 0.000 0.422 93 N N 2.495 121.203 118.700 0.013 0.000 2.727 93 N HA -0.262 4.478 4.740 -0.000 0.000 0.251 93 N C -0.933 174.582 175.510 0.008 0.000 1.040 93 N CA 1.248 54.304 53.050 0.011 0.000 0.712 93 N CB -1.241 37.251 38.487 0.008 0.000 0.912 93 N HN 0.820 nan 8.380 nan 0.000 0.545 94 N N -1.227 117.480 118.700 0.011 0.000 2.395 94 N HA 0.140 4.880 4.740 -0.000 0.000 0.332 94 N C -0.166 175.352 175.510 0.013 0.000 1.246 94 N CA 1.386 54.441 53.050 0.008 0.000 2.049 94 N CB -0.031 38.456 38.487 -0.001 0.000 2.037 94 N HN 1.007 nan 8.380 nan 0.000 1.067 95 G N -0.528 108.285 108.800 0.022 0.000 2.479 95 G HA2 0.160 4.119 3.960 -0.000 0.000 0.686 95 G HA3 0.160 4.119 3.960 -0.000 0.000 0.686 95 G C -1.304 173.622 174.900 0.043 0.000 1.295 95 G CA -0.216 44.903 45.100 0.031 0.000 0.922 95 G HN 0.333 nan 8.290 nan 0.000 0.582 96 S N -1.046 114.687 115.700 0.056 0.000 2.621 96 S HA 0.867 5.337 4.470 -0.000 0.000 0.302 96 S C -0.660 173.993 174.600 0.088 0.000 1.093 96 S CA -0.536 57.709 58.200 0.075 0.000 1.017 96 S CB 1.879 65.123 63.200 0.072 0.000 1.077 96 S HN 1.572 nan 8.310 nan 0.000 0.517 97 L N 1.524 122.824 121.223 0.128 0.000 2.505 97 L HA 0.804 5.143 4.340 -0.000 0.000 0.266 97 L C -1.212 175.776 176.870 0.198 0.000 0.954 97 L CA -0.190 54.736 54.840 0.142 0.000 0.852 97 L CB 1.392 43.526 42.059 0.124 0.000 1.282 97 L HN 0.805 nan 8.230 nan 0.000 0.403 98 A N 4.843 127.752 122.820 0.147 0.000 2.365 98 A HA 0.959 5.279 4.320 -0.000 0.000 0.318 98 A C -1.762 175.908 177.584 0.143 0.000 1.091 98 A CA -0.439 51.676 52.037 0.130 0.000 0.763 98 A CB 1.321 20.385 19.000 0.107 0.000 1.248 98 A HN 0.597 nan 8.150 nan 0.000 0.442 99 L N 0.529 121.843 121.223 0.152 0.000 2.466 99 L HA 0.854 5.194 4.340 -0.000 0.000 0.258 99 L C -0.030 176.928 176.870 0.147 0.000 0.973 99 L CA -0.216 54.727 54.840 0.171 0.000 0.826 99 L CB 2.052 44.225 42.059 0.190 0.000 1.372 99 L HN 0.992 nan 8.230 nan 0.000 0.409 100 A N 0.479 123.409 122.820 0.182 0.000 2.475 100 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 100 A C -1.677 176.028 177.584 0.201 0.000 1.059 100 A CA -0.430 51.646 52.037 0.065 0.000 0.710 100 A CB 1.702 20.765 19.000 0.105 0.000 1.288 100 A HN 0.870 nan 8.150 nan 0.000 0.408 101 H N 1.567 120.600 119.070 -0.060 0.000 2.974 101 H HA 0.534 5.090 4.556 -0.000 0.000 0.366 101 H C -1.884 173.462 175.328 0.030 0.000 1.155 101 H CA -0.628 55.340 56.048 -0.133 0.000 1.186 101 H CB 1.801 31.426 29.762 -0.229 0.000 1.799 101 H HN 0.690 nan 8.280 nan 0.000 0.541 102 N N 3.091 121.606 118.700 -0.310 0.000 2.461 102 N HA 0.526 5.266 4.740 -0.000 0.000 0.284 102 N C -0.710 174.524 175.510 -0.459 0.000 1.049 102 N CA 0.654 53.531 53.050 -0.288 0.000 0.889 102 N CB 1.891 40.337 38.487 -0.069 0.000 1.365 102 N HN 1.088 nan 8.380 nan 0.000 0.499 103 G N 1.883 110.367 108.800 -0.527 0.000 2.332 103 G HA2 0.167 4.127 3.960 -0.000 0.000 0.265 103 G HA3 0.167 4.127 3.960 -0.000 0.000 0.265 103 G C -1.970 172.886 174.900 -0.073 0.000 1.329 103 G CA -0.869 44.113 45.100 -0.197 0.000 0.949 103 G HN 0.776 nan 8.290 nan 0.000 0.476 104 N N -1.029 117.802 118.700 0.219 0.000 2.452 104 N HA 0.550 5.290 4.740 -0.000 0.000 0.277 104 N C -1.183 174.507 175.510 0.299 0.000 1.078 104 N CA -0.612 52.581 53.050 0.239 0.000 0.947 104 N CB 1.547 40.117 38.487 0.137 0.000 1.655 104 N HN 0.609 nan 8.380 nan 0.000 0.490 105 L N 3.104 124.480 121.223 0.254 0.000 2.275 105 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 105 L C 1.133 178.080 176.870 0.128 0.000 1.046 105 L CA -0.809 54.158 54.840 0.211 0.000 0.805 105 L CB 1.605 43.749 42.059 0.141 0.000 1.193 105 L HN 0.433 nan 8.230 nan 0.000 0.426 106 V N 1.856 121.850 119.914 0.133 0.000 2.667 106 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 106 V C 1.511 177.688 176.094 0.139 0.000 1.065 106 V CA 1.532 63.872 62.300 0.066 0.000 1.083 106 V CB -0.614 31.219 31.823 0.018 0.000 0.692 106 V HN 1.013 nan 8.190 nan 0.000 0.468 107 N N 0.206 118.971 118.700 0.109 0.000 2.275 107 N HA 0.229 4.969 4.740 -0.000 0.000 0.236 107 N C 1.050 176.507 175.510 -0.090 0.000 1.154 107 N CA 0.617 53.628 53.050 -0.064 0.000 0.866 107 N CB 0.569 38.933 38.487 -0.204 0.000 1.093 107 N HN 0.267 nan 8.380 nan 0.000 0.515 108 A N 0.626 123.420 122.820 -0.045 0.000 1.968 108 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 108 A C 2.046 179.555 177.584 -0.125 0.000 1.169 108 A CA 1.595 53.587 52.037 -0.074 0.000 0.638 108 A CB -1.000 17.975 19.000 -0.041 0.000 0.812 108 A HN 0.357 nan 8.150 nan 0.000 0.446 109 T N -0.035 114.450 114.554 -0.115 0.000 2.635 109 T HA -0.298 4.052 4.350 -0.000 0.000 0.267 109 T C 2.055 176.666 174.700 -0.147 0.000 1.040 109 T CA 1.805 63.825 62.100 -0.132 0.000 1.156 109 T CB -0.396 68.412 68.868 -0.100 0.000 0.863 109 T HN 0.675 nan 8.240 nan 0.000 0.430 110 Q N 0.505 120.215 119.800 -0.150 0.000 2.030 110 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 110 Q C 2.409 178.324 176.000 -0.143 0.000 0.986 110 Q CA 1.375 57.080 55.803 -0.163 0.000 0.843 110 Q CB -0.328 28.262 28.738 -0.246 0.000 0.904 110 Q HN 0.516 nan 8.270 nan 0.000 0.420 111 L N 0.483 121.621 121.223 -0.142 0.000 1.994 111 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 111 L C 2.614 179.425 176.870 -0.098 0.000 1.071 111 L CA 1.575 56.350 54.840 -0.108 0.000 0.745 111 L CB -0.396 41.605 42.059 -0.096 0.000 0.892 111 L HN 0.173 nan 8.230 nan 0.000 0.431 112 K N -0.353 119.939 120.400 -0.181 0.000 2.113 112 K HA -0.293 4.027 4.320 -0.000 0.000 0.208 112 K C 2.144 178.671 176.600 -0.122 0.000 1.047 112 K CA 1.744 57.851 56.287 -0.300 0.000 0.928 112 K CB -0.191 31.952 32.500 -0.596 0.000 0.716 112 K HN 0.309 nan 8.250 nan 0.000 0.446 113 Q N 1.107 120.841 119.800 -0.110 0.000 2.084 113 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 113 Q C 2.053 178.035 176.000 -0.030 0.000 0.978 113 Q CA 1.520 57.286 55.803 -0.062 0.000 0.844 113 Q CB 0.158 28.851 28.738 -0.075 0.000 0.898 113 Q HN 0.335 nan 8.270 nan 0.000 0.426 114 Q N -0.465 119.312 119.800 -0.039 0.000 2.046 114 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 114 Q C 2.071 178.070 176.000 -0.002 0.000 0.975 114 Q CA 1.035 56.821 55.803 -0.028 0.000 0.836 114 Q CB -0.022 28.690 28.738 -0.044 0.000 0.896 114 Q HN 0.338 nan 8.270 nan 0.000 0.428 115 L N 1.218 122.458 121.223 0.028 0.000 2.012 115 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 115 L C 2.075 178.970 176.870 0.041 0.000 1.073 115 L CA 1.851 56.720 54.840 0.049 0.000 0.748 115 L CB -1.159 40.990 42.059 0.151 0.000 0.891 115 L HN 0.319 nan 8.230 nan 0.000 0.431 116 E N -0.440 119.828 120.200 0.114 0.000 2.160 116 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 116 E C 1.733 178.346 176.600 0.022 0.000 0.991 116 E CA 1.034 57.484 56.400 0.083 0.000 0.810 116 E CB -0.010 29.758 29.700 0.114 0.000 0.742 116 E HN 0.525 nan 8.360 nan 0.000 0.466 117 N N 0.587 119.294 118.700 0.010 0.000 2.409 117 N HA -0.098 4.641 4.740 -0.000 0.000 0.179 117 N C 1.157 176.661 175.510 -0.011 0.000 1.032 117 N CA 0.603 53.651 53.050 -0.004 0.000 0.898 117 N CB 0.053 38.534 38.487 -0.009 0.000 0.971 117 N HN 0.213 nan 8.380 nan 0.000 0.441 118 Q N -0.165 119.627 119.800 -0.014 0.000 2.415 118 Q HA 0.136 4.476 4.340 -0.000 0.000 0.206 118 Q C 0.099 176.083 176.000 -0.026 0.000 0.946 118 Q CA 0.024 55.814 55.803 -0.021 0.000 0.951 118 Q CB 0.170 28.894 28.738 -0.023 0.000 1.026 118 Q HN 0.428 nan 8.270 nan 0.000 0.510 119 G N 0.685 109.468 108.800 -0.027 0.000 2.140 119 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.211 119 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.211 119 G C -0.158 174.705 174.900 -0.062 0.000 1.013 119 G CA 0.114 45.194 45.100 -0.033 0.000 0.705 119 G HN 0.236 nan 8.290 nan 0.000 0.508 120 S N 0.116 115.752 115.700 -0.107 0.000 2.554 120 S HA 0.732 5.202 4.470 -0.000 0.000 0.278 120 S C 0.578 174.989 174.600 -0.316 0.000 1.242 120 S CA -0.331 57.709 58.200 -0.267 0.000 1.051 120 S CB 1.150 64.028 63.200 -0.535 0.000 0.986 120 S HN 0.784 nan 8.310 nan 0.000 0.502 121 I N 0.068 120.444 120.570 -0.324 0.000 2.441 121 I HA 0.658 4.828 4.170 -0.000 0.000 0.295 121 I C -1.272 174.641 176.117 -0.340 0.000 0.994 121 I CA -0.803 60.385 61.300 -0.186 0.000 1.144 121 I CB 0.930 38.905 38.000 -0.042 0.000 1.314 121 I HN 0.330 nan 8.210 nan 0.000 0.445 122 F N 3.144 123.103 119.950 0.013 0.000 2.495 122 F HA 0.445 4.971 4.527 -0.000 0.000 0.327 122 F C 1.086 176.931 175.800 0.074 0.000 1.103 122 F CA -0.387 57.644 58.000 0.052 0.000 0.949 122 F CB 2.068 41.061 39.000 -0.012 0.000 1.142 122 F HN 0.547 nan 8.300 nan 0.000 0.457 123 Q N 0.258 120.225 119.800 0.280 0.000 2.394 123 Q HA 0.091 4.431 4.340 -0.000 0.000 0.218 123 Q C 0.722 176.830 176.000 0.180 0.000 0.907 123 Q CA 0.548 56.467 55.803 0.192 0.000 0.919 123 Q CB 0.682 29.514 28.738 0.155 0.000 1.051 123 Q HN 0.821 nan 8.270 nan 0.000 0.538 124 T N -1.746 112.938 114.554 0.215 0.000 2.910 124 T HA 0.320 4.670 4.350 -0.000 0.000 0.279 124 T C 0.709 175.490 174.700 0.135 0.000 0.989 124 T CA -0.418 61.776 62.100 0.157 0.000 0.968 124 T CB 1.520 70.480 68.868 0.154 0.000 1.135 124 T HN 0.028 nan 8.240 nan 0.000 0.562 125 S N -0.799 114.953 115.700 0.087 0.000 2.651 125 S HA 0.359 4.829 4.470 -0.000 0.000 0.246 125 S C 0.362 174.990 174.600 0.047 0.000 1.039 125 S CA -0.706 57.518 58.200 0.040 0.000 1.013 125 S CB -0.258 62.956 63.200 0.022 0.000 0.861 125 S HN 0.719 nan 8.310 nan 0.000 0.485 126 S N 0.870 116.627 115.700 0.094 0.000 2.586 126 S HA 0.304 4.774 4.470 -0.000 0.000 0.274 126 S C 0.509 175.190 174.600 0.136 0.000 1.281 126 S CA -0.430 57.844 58.200 0.124 0.000 1.035 126 S CB 0.732 64.016 63.200 0.139 0.000 0.962 126 S HN 0.279 nan 8.310 nan 0.000 0.512 127 D N 2.602 123.100 120.400 0.163 0.000 2.224 127 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 127 D C 1.777 178.177 176.300 0.167 0.000 0.965 127 D CA 1.065 55.152 54.000 0.145 0.000 0.852 127 D CB -0.458 40.454 40.800 0.186 0.000 0.947 127 D HN 0.616 nan 8.370 nan 0.000 0.494 128 T N 0.589 115.290 114.554 0.246 0.000 2.778 128 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 128 T C 1.729 176.558 174.700 0.215 0.000 1.050 128 T CA 1.251 63.508 62.100 0.260 0.000 1.137 128 T CB -0.008 69.018 68.868 0.263 0.000 0.860 128 T HN 0.303 nan 8.240 nan 0.000 0.468 129 E N 0.170 120.531 120.200 0.269 0.000 2.076 129 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 129 E C 2.295 179.096 176.600 0.335 0.000 0.979 129 E CA 0.549 57.163 56.400 0.356 0.000 0.807 129 E CB 0.009 29.990 29.700 0.468 0.000 0.761 129 E HN 0.232 nan 8.360 nan 0.000 0.454 130 V N 1.927 122.012 119.914 0.285 0.000 2.278 130 V HA -0.313 3.806 4.120 -0.000 0.000 0.251 130 V C 2.522 178.649 176.094 0.055 0.000 1.062 130 V CA 1.698 64.121 62.300 0.206 0.000 1.038 130 V CB -0.484 31.369 31.823 0.049 0.000 0.646 130 V HN 0.409 nan 8.190 nan 0.000 0.447 131 L N -0.536 120.647 121.223 -0.067 0.000 2.083 131 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 131 L C 2.617 179.335 176.870 -0.255 0.000 1.083 131 L CA 1.682 56.378 54.840 -0.241 0.000 0.752 131 L CB -0.585 41.205 42.059 -0.449 0.000 0.899 131 L HN 0.417 nan 8.230 nan 0.000 0.433 132 A N -0.675 121.975 122.820 -0.284 0.000 1.883 132 A HA -0.294 4.025 4.320 -0.000 0.000 0.217 132 A C 1.856 179.135 177.584 -0.508 0.000 1.186 132 A CA 1.951 53.646 52.037 -0.570 0.000 0.624 132 A CB -0.919 17.332 19.000 -1.248 0.000 0.822 132 A HN 0.528 nan 8.150 nan 0.000 0.444 133 H N -0.178 118.696 119.070 -0.327 0.000 2.352 133 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 133 H C 1.937 177.146 175.328 -0.197 0.000 1.097 133 H CA 1.825 57.725 56.048 -0.247 0.000 1.311 133 H CB -0.242 29.416 29.762 -0.173 0.000 1.377 133 H HN 0.386 nan 8.280 nan 0.000 0.504 134 L N -0.196 120.984 121.223 -0.071 0.000 2.046 134 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 134 L C 2.198 178.966 176.870 -0.171 0.000 1.077 134 L CA 1.105 55.874 54.840 -0.118 0.000 0.747 134 L CB -0.425 41.546 42.059 -0.147 0.000 0.896 134 L HN 0.302 nan 8.230 nan 0.000 0.432 135 I N 0.105 120.542 120.570 -0.221 0.000 2.163 135 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 135 I C 2.712 178.717 176.117 -0.187 0.000 1.085 135 I CA 1.242 62.410 61.300 -0.220 0.000 1.347 135 I CB -0.307 37.548 38.000 -0.242 0.000 1.044 135 I HN 0.217 nan 8.210 nan 0.000 0.408 136 K N 1.888 122.164 120.400 -0.207 0.000 2.026 136 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 136 K C 1.979 178.498 176.600 -0.134 0.000 1.048 136 K CA 1.650 57.828 56.287 -0.181 0.000 0.929 136 K CB -0.273 32.080 32.500 -0.245 0.000 0.713 136 K HN 0.153 nan 8.250 nan 0.000 0.439 137 R N 0.686 121.115 120.500 -0.118 0.000 2.339 137 R HA 0.081 4.421 4.340 -0.000 0.000 0.199 137 R C 0.329 176.574 176.300 -0.091 0.000 1.018 137 R CA 0.097 56.144 56.100 -0.089 0.000 1.036 137 R CB -0.155 30.105 30.300 -0.067 0.000 0.899 137 R HN 0.076 nan 8.270 nan 0.000 0.473 138 S N -0.535 115.100 115.700 -0.108 0.000 2.565 138 S HA 0.213 4.683 4.470 -0.000 0.000 0.276 138 S C 1.190 175.738 174.600 -0.088 0.000 1.326 138 S CA -0.534 57.608 58.200 -0.097 0.000 1.045 138 S CB 1.380 64.495 63.200 -0.143 0.000 0.918 138 S HN 0.381 nan 8.310 nan 0.000 0.505 139 G N 2.684 111.446 108.800 -0.063 0.000 3.141 139 G HA2 0.141 4.101 3.960 -0.000 0.000 0.218 139 G HA3 0.141 4.101 3.960 -0.000 0.000 0.218 139 G C 0.168 174.839 174.900 -0.382 0.000 1.170 139 G CA -0.062 44.927 45.100 -0.186 0.000 0.769 139 G HN 0.740 nan 8.290 nan 0.000 0.546 140 H N -0.946 117.869 119.070 -0.424 0.000 2.671 140 H HA 0.328 4.884 4.556 -0.000 0.000 0.372 140 H C 0.306 175.324 175.328 -0.518 0.000 1.227 140 H CA -0.338 55.402 56.048 -0.514 0.000 1.426 140 H CB 0.629 30.252 29.762 -0.232 0.000 1.480 140 H HN 0.079 nan 8.280 nan 0.000 0.611 141 F N -0.675 119.313 119.950 0.064 0.000 2.692 141 F HA 0.227 4.753 4.527 -0.000 0.000 0.303 141 F C 0.437 176.245 175.800 0.013 0.000 1.114 141 F CA 0.253 58.262 58.000 0.016 0.000 1.361 141 F CB 0.302 39.295 39.000 -0.011 0.000 1.063 141 F HN 0.253 nan 8.300 nan 0.000 0.550 142 T N 0.260 114.884 114.554 0.117 0.000 3.041 142 T HA 0.201 4.551 4.350 -0.000 0.000 0.321 142 T C 0.644 175.347 174.700 0.006 0.000 1.184 142 T CA -0.604 61.535 62.100 0.066 0.000 1.050 142 T CB 2.066 70.983 68.868 0.082 0.000 1.159 142 T HN -0.094 nan 8.240 nan 0.000 0.469 143 L N 2.893 124.105 121.223 -0.020 0.000 1.990 143 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 143 L C 2.616 179.440 176.870 -0.077 0.000 1.072 143 L CA 2.045 56.850 54.840 -0.058 0.000 0.755 143 L CB -0.367 41.659 42.059 -0.055 0.000 0.889 143 L HN 0.763 nan 8.230 nan 0.000 0.432 144 K N -0.350 120.015 120.400 -0.058 0.000 2.089 144 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 144 K C 1.544 178.099 176.600 -0.076 0.000 1.048 144 K CA 2.250 58.498 56.287 -0.065 0.000 0.926 144 K CB -0.092 32.385 32.500 -0.038 0.000 0.714 144 K HN 0.429 nan 8.250 nan 0.000 0.448 145 D N 0.039 120.409 120.400 -0.050 0.000 2.249 145 D HA -0.077 4.562 4.640 -0.000 0.000 0.205 145 D C 1.965 178.119 176.300 -0.244 0.000 0.962 145 D CA 0.784 54.738 54.000 -0.076 0.000 0.860 145 D CB 0.091 40.941 40.800 0.083 0.000 0.955 145 D HN 0.391 nan 8.370 nan 0.000 0.505 146 Q N 0.169 119.856 119.800 -0.188 0.000 2.123 146 Q HA -0.014 4.325 4.340 -0.000 0.000 0.199 146 Q C 2.344 178.182 176.000 -0.271 0.000 0.966 146 Q CA 0.673 56.330 55.803 -0.243 0.000 0.845 146 Q CB 0.238 28.877 28.738 -0.165 0.000 0.907 146 Q HN 0.302 nan 8.270 nan 0.000 0.439 147 I N 0.600 121.025 120.570 -0.240 0.000 2.163 147 I HA -0.277 3.892 4.170 -0.000 0.000 0.240 147 I C 2.406 178.335 176.117 -0.312 0.000 1.081 147 I CA 1.058 62.187 61.300 -0.285 0.000 1.353 147 I CB -0.215 37.635 38.000 -0.249 0.000 1.054 147 I HN 0.116 nan 8.210 nan 0.000 0.407 148 K N 0.989 121.240 120.400 -0.248 0.000 2.127 148 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 148 K C 1.624 178.110 176.600 -0.190 0.000 1.047 148 K CA 2.278 58.449 56.287 -0.193 0.000 0.927 148 K CB -0.081 32.360 32.500 -0.099 0.000 0.716 148 K HN 0.319 nan 8.250 nan 0.000 0.450 149 N N -1.022 117.506 118.700 -0.286 0.000 2.395 149 N HA 0.012 4.752 4.740 -0.000 0.000 0.175 149 N C 1.324 176.696 175.510 -0.230 0.000 1.029 149 N CA 0.623 53.510 53.050 -0.271 0.000 0.897 149 N CB 0.385 38.570 38.487 -0.503 0.000 0.991 149 N HN -0.004 nan 8.380 nan 0.000 0.441 150 S N 0.621 116.156 115.700 -0.274 0.000 2.402 150 S HA 0.016 4.486 4.470 -0.000 0.000 0.229 150 S C 1.759 176.190 174.600 -0.281 0.000 1.021 150 S CA 0.689 58.732 58.200 -0.261 0.000 0.974 150 S CB -0.193 62.828 63.200 -0.298 0.000 0.800 150 S HN 0.269 nan 8.310 nan 0.000 0.484 151 L N 1.218 122.236 121.223 -0.342 0.000 2.131 151 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 151 L C 2.357 179.180 176.870 -0.079 0.000 1.092 151 L CA 0.839 55.462 54.840 -0.361 0.000 0.759 151 L CB -0.779 40.903 42.059 -0.629 0.000 0.903 151 L HN 0.236 nan 8.230 nan 0.000 0.435 152 S N -0.078 115.613 115.700 -0.015 0.000 2.419 152 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 152 S C 1.811 176.435 174.600 0.040 0.000 1.019 152 S CA 1.396 59.641 58.200 0.075 0.000 0.982 152 S CB -0.224 63.001 63.200 0.042 0.000 0.789 152 S HN 0.418 nan 8.310 nan 0.000 0.490 153 M N 0.651 120.233 119.600 -0.031 0.000 2.561 153 M HA 0.224 4.704 4.480 -0.000 0.000 0.238 153 M C -0.315 175.969 176.300 -0.026 0.000 1.131 153 M CA 0.405 55.684 55.300 -0.036 0.000 1.046 153 M CB -0.071 32.483 32.600 -0.076 0.000 1.532 153 M HN 0.138 nan 8.290 nan 0.000 0.497 154 L N 0.541 121.757 121.223 -0.012 0.000 2.322 154 L HA 0.439 4.779 4.340 -0.000 0.000 0.279 154 L C -0.305 176.680 176.870 0.193 0.000 1.036 154 L CA -0.750 54.096 54.840 0.010 0.000 0.807 154 L CB 1.060 43.003 42.059 -0.193 0.000 1.226 154 L HN -0.146 nan 8.230 nan 0.000 0.433 155 K N 1.330 121.866 120.400 0.227 0.000 2.292 155 K HA 0.846 5.166 4.320 -0.000 0.000 0.257 155 K C -0.016 176.792 176.600 0.346 0.000 0.940 155 K CA 0.079 56.549 56.287 0.306 0.000 0.811 155 K CB 1.893 34.592 32.500 0.331 0.000 1.120 155 K HN 0.778 nan 8.250 nan 0.000 0.428 156 G N 0.868 109.888 108.800 0.367 0.000 2.265 156 G HA2 0.276 4.236 3.960 -0.000 0.000 0.246 156 G HA3 0.276 4.236 3.960 -0.000 0.000 0.246 156 G C -1.506 173.594 174.900 0.333 0.000 1.299 156 G CA -0.429 44.913 45.100 0.404 0.000 1.117 156 G HN 0.688 nan 8.290 nan 0.000 0.485 157 A N -0.161 122.897 122.820 0.396 0.000 2.290 157 A HA 0.943 5.262 4.320 -0.000 0.000 0.310 157 A C -0.645 177.117 177.584 0.298 0.000 1.202 157 A CA 0.245 52.399 52.037 0.196 0.000 0.837 157 A CB 0.387 19.529 19.000 0.237 0.000 1.139 157 A HN 2.187 nan 8.150 nan 0.000 0.509 158 Y N -1.234 119.135 120.300 0.116 0.000 2.424 158 Y HA 0.656 5.206 4.550 -0.000 0.000 0.323 158 Y C -0.617 175.260 175.900 -0.037 0.000 1.174 158 Y CA -0.984 57.126 58.100 0.016 0.000 1.060 158 Y CB 0.755 39.081 38.460 -0.223 0.000 1.314 158 Y HN 0.952 nan 8.280 nan 0.000 0.439 159 A N 3.876 126.732 122.820 0.060 0.000 2.332 159 A HA 0.840 5.159 4.320 -0.000 0.000 0.300 159 A C -2.036 175.560 177.584 0.021 0.000 1.153 159 A CA -0.556 51.530 52.037 0.082 0.000 0.764 159 A CB 0.351 19.385 19.000 0.056 0.000 1.174 159 A HN 0.574 nan 8.150 nan 0.000 0.467 160 F N 1.914 122.018 119.950 0.256 0.000 2.507 160 F HA 0.573 5.100 4.527 -0.000 0.000 0.325 160 F C -0.103 175.770 175.800 0.122 0.000 1.116 160 F CA -0.613 57.490 58.000 0.172 0.000 0.930 160 F CB 2.073 41.111 39.000 0.063 0.000 1.146 160 F HN 0.366 nan 8.300 nan 0.000 0.447 161 L N 4.926 126.342 121.223 0.321 0.000 2.322 161 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 161 L C -0.925 176.062 176.870 0.194 0.000 1.014 161 L CA -0.728 54.242 54.840 0.216 0.000 0.815 161 L CB 2.048 44.222 42.059 0.193 0.000 1.247 161 L HN 0.550 nan 8.230 nan 0.000 0.421 162 I N 3.648 124.293 120.570 0.125 0.000 2.647 162 I HA 0.542 4.712 4.170 -0.000 0.000 0.295 162 I C -0.544 175.620 176.117 0.078 0.000 1.078 162 I CA -0.145 61.202 61.300 0.079 0.000 1.048 162 I CB 2.347 40.341 38.000 -0.010 0.000 1.239 162 I HN 0.566 nan 8.210 nan 0.000 0.421 163 M N 4.943 124.600 119.600 0.095 0.000 2.365 163 M HA 0.469 4.949 4.480 -0.000 0.000 0.287 163 M C -0.981 175.389 176.300 0.116 0.000 1.154 163 M CA -0.262 55.111 55.300 0.122 0.000 0.941 163 M CB 2.163 34.884 32.600 0.201 0.000 1.704 163 M HN 0.806 nan 8.290 nan 0.000 0.479 164 T N -0.476 114.142 114.554 0.106 0.000 2.678 164 T HA 0.502 4.852 4.350 -0.000 0.000 0.260 164 T C 0.530 175.329 174.700 0.165 0.000 0.932 164 T CA -0.395 61.766 62.100 0.102 0.000 1.043 164 T CB 0.779 69.676 68.868 0.047 0.000 1.413 164 T HN 0.628 nan 8.240 nan 0.000 0.568 165 E N 0.633 120.916 120.200 0.139 0.000 2.204 165 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 165 E C 1.779 178.545 176.600 0.275 0.000 0.989 165 E CA 1.811 58.319 56.400 0.179 0.000 0.824 165 E CB -0.243 29.531 29.700 0.124 0.000 0.756 165 E HN 0.849 nan 8.360 nan 0.000 0.477 166 T N -3.099 111.564 114.554 0.183 0.000 3.016 166 T HA 0.281 4.631 4.350 -0.000 0.000 0.271 166 T C -0.130 174.414 174.700 -0.260 0.000 0.968 166 T CA -0.442 61.741 62.100 0.139 0.000 0.891 166 T CB 0.361 69.273 68.868 0.072 0.000 1.149 166 T HN -0.068 nan 8.240 nan 0.000 0.524 167 E N 0.651 120.594 120.200 -0.429 0.000 2.407 167 E HA 0.643 4.993 4.350 -0.000 0.000 0.279 167 E C -1.416 174.893 176.600 -0.486 0.000 1.012 167 E CA -0.789 55.136 56.400 -0.792 0.000 0.800 167 E CB 1.582 31.012 29.700 -0.449 0.000 1.276 167 E HN 0.221 nan 8.360 nan 0.000 0.452 168 M N 1.692 121.007 119.600 -0.475 0.000 2.364 168 M HA 0.622 5.102 4.480 -0.000 0.000 0.334 168 M C -1.649 174.577 176.300 -0.123 0.000 1.107 168 M CA -0.787 54.441 55.300 -0.121 0.000 0.988 168 M CB 0.873 33.509 32.600 0.060 0.000 1.673 168 M HN 0.634 nan 8.290 nan 0.000 0.441 169 I N 4.493 125.033 120.570 -0.049 0.000 2.465 169 I HA 0.510 4.680 4.170 -0.000 0.000 0.291 169 I C -1.076 175.051 176.117 0.016 0.000 1.014 169 I CA -0.463 60.809 61.300 -0.047 0.000 1.093 169 I CB 2.238 40.196 38.000 -0.069 0.000 1.267 169 I HN 0.392 nan 8.210 nan 0.000 0.431 170 V N 5.076 125.009 119.914 0.032 0.000 2.604 170 V HA 0.923 5.043 4.120 -0.000 0.000 0.305 170 V C -0.365 175.804 176.094 0.125 0.000 1.043 170 V CA -0.595 61.761 62.300 0.094 0.000 0.888 170 V CB 1.696 33.566 31.823 0.079 0.000 0.995 170 V HN 0.819 nan 8.190 nan 0.000 0.429 171 A N 4.408 127.349 122.820 0.203 0.000 2.422 171 A HA 0.887 5.207 4.320 -0.000 0.000 0.302 171 A C -1.664 176.145 177.584 0.375 0.000 1.041 171 A CA -0.506 51.687 52.037 0.260 0.000 0.708 171 A CB 1.695 20.746 19.000 0.085 0.000 1.257 171 A HN 0.814 nan 8.150 nan 0.000 0.414 172 L N 2.199 123.675 121.223 0.421 0.000 2.341 172 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 172 L C -0.052 176.988 176.870 0.284 0.000 1.005 172 L CA -0.340 54.665 54.840 0.275 0.000 0.818 172 L CB 1.429 43.574 42.059 0.143 0.000 1.259 172 L HN 0.902 nan 8.230 nan 0.000 0.418 173 D N 4.517 124.852 120.400 -0.109 0.000 2.364 173 D HA 0.072 4.712 4.640 -0.000 0.000 0.236 173 D C -2.056 174.144 176.300 -0.167 0.000 1.221 173 D CA -0.794 52.968 54.000 -0.396 0.000 0.891 173 D CB 0.309 40.416 40.800 -1.155 0.000 1.190 173 D HN 0.448 nan 8.370 nan 0.000 0.449 174 P HA -0.054 nan 4.420 nan 0.000 0.228 174 P C 0.062 177.269 177.300 -0.154 0.000 1.151 174 P CA 0.858 63.847 63.100 -0.186 0.000 0.770 174 P CB 0.089 31.702 31.700 -0.145 0.000 0.786 175 N N -1.194 117.411 118.700 -0.158 0.000 2.392 175 N HA 0.140 4.880 4.740 -0.000 0.000 0.177 175 N C 1.100 176.513 175.510 -0.162 0.000 1.066 175 N CA 0.804 53.760 53.050 -0.157 0.000 0.895 175 N CB -0.535 37.848 38.487 -0.175 0.000 0.988 175 N HN -0.004 nan 8.380 nan 0.000 0.457 176 G N 0.887 109.592 108.800 -0.158 0.000 2.323 176 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.292 176 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.292 176 G C 0.693 175.516 174.900 -0.128 0.000 1.040 176 G CA 0.331 45.356 45.100 -0.124 0.000 0.942 176 G HN 0.269 nan 8.290 nan 0.000 0.506 177 L N -1.251 119.869 121.223 -0.172 0.000 2.046 177 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 177 L C 2.063 178.856 176.870 -0.128 0.000 1.077 177 L CA 1.167 55.896 54.840 -0.185 0.000 0.747 177 L CB -0.200 41.689 42.059 -0.283 0.000 0.896 177 L HN 0.215 nan 8.230 nan 0.000 0.432 178 R N 0.514 120.951 120.500 -0.105 0.000 2.404 178 R HA 0.333 4.672 4.340 -0.000 0.000 0.291 178 R C -2.274 173.999 176.300 -0.045 0.000 1.025 178 R CA -2.590 53.464 56.100 -0.076 0.000 0.991 178 R CB -0.136 30.124 30.300 -0.067 0.000 1.053 178 R HN -0.088 nan 8.270 nan 0.000 0.479 179 P HA 0.250 nan 4.420 nan 0.000 0.276 179 P C -0.645 176.673 177.300 0.029 0.000 1.230 179 P CA -0.111 62.983 63.100 -0.010 0.000 0.776 179 P CB 1.090 32.767 31.700 -0.038 0.000 0.888 180 L N 1.993 123.254 121.223 0.064 0.000 2.493 180 L HA 0.366 4.706 4.340 -0.000 0.000 0.265 180 L C -0.499 176.464 176.870 0.155 0.000 0.954 180 L CA -0.293 54.609 54.840 0.104 0.000 0.844 180 L CB 2.368 44.492 42.059 0.109 0.000 1.302 180 L HN 0.408 nan 8.230 nan 0.000 0.405 181 S N 3.555 119.390 115.700 0.226 0.000 2.548 181 S HA 0.724 5.194 4.470 -0.000 0.000 0.286 181 S C -0.743 174.136 174.600 0.465 0.000 1.098 181 S CA -0.659 57.769 58.200 0.380 0.000 0.930 181 S CB 2.490 66.008 63.200 0.530 0.000 1.070 181 S HN 0.390 nan 8.310 nan 0.000 0.480 182 I N 1.254 122.009 120.570 0.308 0.000 2.474 182 I HA 0.787 4.956 4.170 -0.000 0.000 0.294 182 I C 0.523 176.515 176.117 -0.208 0.000 1.005 182 I CA -0.549 60.808 61.300 0.095 0.000 1.113 182 I CB 2.000 40.010 38.000 0.018 0.000 1.289 182 I HN 0.789 nan 8.210 nan 0.000 0.436 183 G N 5.347 113.826 108.800 -0.535 0.000 2.725 183 G HA2 0.806 4.766 3.960 -0.000 0.000 0.288 183 G HA3 0.806 4.766 3.960 -0.000 0.000 0.288 183 G C -1.251 173.392 174.900 -0.429 0.000 1.399 183 G CA -0.736 43.851 45.100 -0.856 0.000 0.859 183 G HN 0.394 nan 8.290 nan 0.000 0.479 184 M N 0.509 119.904 119.600 -0.342 0.000 2.591 184 M HA 0.577 5.057 4.480 -0.000 0.000 0.306 184 M C -1.019 175.181 176.300 -0.167 0.000 1.190 184 M CA -0.703 54.440 55.300 -0.262 0.000 0.889 184 M CB 2.797 35.228 32.600 -0.282 0.000 1.728 184 M HN 0.487 nan 8.290 nan 0.000 0.458 185 M N 2.388 121.919 119.600 -0.115 0.000 2.106 185 M HA 0.411 4.891 4.480 -0.000 0.000 0.241 185 M C 0.035 176.331 176.300 -0.006 0.000 0.946 185 M CA 0.336 55.630 55.300 -0.011 0.000 1.024 185 M CB 0.685 33.330 32.600 0.075 0.000 2.191 185 M HN 0.991 nan 8.290 nan 0.000 0.429 186 G N 3.390 112.169 108.800 -0.035 0.000 2.557 186 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 186 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 186 G C -0.001 174.834 174.900 -0.109 0.000 1.162 186 G CA 0.542 45.613 45.100 -0.049 0.000 0.964 186 G HN 0.697 nan 8.290 nan 0.000 0.541 187 D N 2.030 122.367 120.400 -0.105 0.000 2.431 187 D HA 0.470 5.110 4.640 -0.000 0.000 0.213 187 D C 1.040 177.243 176.300 -0.162 0.000 1.130 187 D CA 0.692 54.605 54.000 -0.146 0.000 0.834 187 D CB 0.667 41.425 40.800 -0.070 0.000 0.985 187 D HN 0.741 nan 8.370 nan 0.000 0.504 188 A N 0.587 123.343 122.820 -0.108 0.000 2.316 188 A HA 0.475 4.795 4.320 -0.000 0.000 0.284 188 A C -0.881 176.619 177.584 -0.140 0.000 1.115 188 A CA -0.285 51.745 52.037 -0.012 0.000 0.812 188 A CB 0.549 19.619 19.000 0.116 0.000 1.064 188 A HN -0.009 nan 8.150 nan 0.000 0.489 189 Y N 0.090 120.449 120.300 0.099 0.000 2.387 189 Y HA 0.505 5.055 4.550 -0.000 0.000 0.330 189 Y C 0.420 176.330 175.900 0.016 0.000 1.133 189 Y CA -0.185 57.938 58.100 0.038 0.000 1.152 189 Y CB 1.997 40.491 38.460 0.056 0.000 1.215 189 Y HN 0.598 nan 8.280 nan 0.000 0.466 190 V N 3.320 123.286 119.914 0.087 0.000 2.841 190 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 190 V C -1.859 174.233 176.094 -0.003 0.000 1.090 190 V CA -0.624 61.643 62.300 -0.055 0.000 0.930 190 V CB 1.857 33.636 31.823 -0.075 0.000 1.014 190 V HN 0.518 nan 8.190 nan 0.000 0.425 191 V N 5.111 124.981 119.914 -0.073 0.000 2.735 191 V HA 1.034 5.153 4.120 -0.000 0.000 0.310 191 V C 0.212 176.317 176.094 0.019 0.000 1.061 191 V CA 0.196 62.542 62.300 0.076 0.000 0.913 191 V CB 1.447 33.307 31.823 0.062 0.000 1.005 191 V HN 1.541 nan 8.190 nan 0.000 0.428 192 A N 2.521 125.440 122.820 0.165 0.000 2.594 192 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 192 A C 0.505 178.133 177.584 0.074 0.000 1.071 192 A CA -0.158 51.950 52.037 0.118 0.000 0.685 192 A CB 1.696 20.760 19.000 0.107 0.000 1.285 192 A HN 0.624 nan 8.150 nan 0.000 0.405 193 S N -0.010 115.731 115.700 0.068 0.000 2.423 193 S HA 0.026 4.496 4.470 -0.000 0.000 0.231 193 S C 0.516 175.107 174.600 -0.015 0.000 1.014 193 S CA 1.294 59.516 58.200 0.036 0.000 0.965 193 S CB -0.087 63.135 63.200 0.038 0.000 0.785 193 S HN 0.662 nan 8.310 nan 0.000 0.495 194 E N -0.482 119.673 120.200 -0.074 0.000 2.367 194 E HA 0.232 4.582 4.350 -0.000 0.000 0.273 194 E C 0.362 176.755 176.600 -0.344 0.000 0.903 194 E CA -0.155 56.163 56.400 -0.137 0.000 0.764 194 E CB 1.645 31.306 29.700 -0.066 0.000 1.252 194 E HN 0.178 nan 8.360 nan 0.000 0.446 195 T N -2.797 111.545 114.554 -0.354 0.000 2.985 195 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 195 T C 2.163 176.629 174.700 -0.389 0.000 1.076 195 T CA 1.069 62.818 62.100 -0.585 0.000 1.135 195 T CB -0.793 67.927 68.868 -0.247 0.000 0.890 195 T HN 0.725 nan 8.240 nan 0.000 0.480 196 C N 2.212 121.391 119.300 -0.201 0.000 2.398 196 C HA 0.109 4.569 4.460 -0.000 0.000 0.279 196 C C 3.064 178.011 174.990 -0.071 0.000 1.250 196 C CA 0.247 59.199 59.018 -0.110 0.000 1.786 196 C CB -1.860 25.816 27.740 -0.106 0.000 2.018 196 C HN 0.644 nan 8.230 nan 0.000 0.494 197 A N 0.189 122.953 122.820 -0.092 0.000 2.070 197 A HA 0.055 4.374 4.320 -0.000 0.000 0.220 197 A C 1.813 179.524 177.584 0.213 0.000 1.159 197 A CA 1.585 53.642 52.037 0.033 0.000 0.656 197 A CB -0.758 18.310 19.000 0.112 0.000 0.800 197 A HN 0.596 nan 8.150 nan 0.000 0.453 198 F N 0.404 120.474 119.950 0.201 0.000 2.206 198 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 198 F C 1.864 177.738 175.800 0.123 0.000 1.090 198 F CA 0.784 58.900 58.000 0.193 0.000 1.323 198 F CB -1.244 37.872 39.000 0.192 0.000 1.028 198 F HN 0.229 nan 8.300 nan 0.000 0.492 199 D N 0.244 120.784 120.400 0.234 0.000 2.104 199 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 199 D C 2.469 178.825 176.300 0.093 0.000 0.994 199 D CA 1.275 55.355 54.000 0.133 0.000 0.830 199 D CB -0.391 40.445 40.800 0.061 0.000 0.959 199 D HN 0.009 nan 8.370 nan 0.000 0.452 200 V N 0.067 120.027 119.914 0.077 0.000 2.343 200 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 200 V C 2.215 178.340 176.094 0.052 0.000 1.051 200 V CA 1.089 63.416 62.300 0.045 0.000 1.036 200 V CB -0.235 31.609 31.823 0.035 0.000 0.654 200 V HN 0.122 nan 8.190 nan 0.000 0.451 201 V N -0.131 119.855 119.914 0.120 0.000 3.406 201 V HA 0.281 4.401 4.120 -0.000 0.000 0.263 201 V C 1.700 177.857 176.094 0.104 0.000 1.172 201 V CA 1.315 63.687 62.300 0.120 0.000 1.140 201 V CB -0.049 31.907 31.823 0.223 0.000 0.784 201 V HN 0.789 nan 8.190 nan 0.000 0.467 202 G N 0.062 108.930 108.800 0.114 0.000 2.131 202 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.223 202 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.223 202 G C 0.149 175.109 174.900 0.101 0.000 0.990 202 G CA 0.064 45.216 45.100 0.088 0.000 0.671 202 G HN 0.988 nan 8.290 nan 0.000 0.521 203 A N 0.322 123.231 122.820 0.149 0.000 2.309 203 A HA 0.774 5.094 4.320 -0.000 0.000 0.298 203 A C 0.590 178.203 177.584 0.048 0.000 1.165 203 A CA 0.527 52.611 52.037 0.078 0.000 0.821 203 A CB 0.660 19.695 19.000 0.059 0.000 1.102 203 A HN 0.721 nan 8.150 nan 0.000 0.500 204 T N 2.548 117.087 114.554 -0.026 0.000 2.794 204 T HA 0.297 4.646 4.350 -0.000 0.000 0.296 204 T C -0.225 174.432 174.700 -0.071 0.000 0.949 204 T CA 0.317 62.420 62.100 0.005 0.000 1.101 204 T CB 0.051 68.916 68.868 -0.006 0.000 0.905 204 T HN 0.475 nan 8.240 nan 0.000 0.516 205 Y N 4.121 124.379 120.300 -0.071 0.000 2.442 205 Y HA 0.315 4.865 4.550 -0.000 0.000 0.330 205 Y C 0.542 176.410 175.900 -0.053 0.000 1.129 205 Y CA -0.632 57.411 58.100 -0.096 0.000 1.365 205 Y CB 0.448 39.038 38.460 0.216 0.000 1.233 205 Y HN 0.539 nan 8.280 nan 0.000 0.529 206 L N 5.615 126.367 121.223 -0.785 0.000 2.276 206 L HA 0.411 4.751 4.340 -0.000 0.000 0.194 206 L C -0.138 176.187 176.870 -0.909 0.000 1.099 206 L CA 1.012 55.486 54.840 -0.610 0.000 0.800 206 L CB -0.129 41.743 42.059 -0.311 0.000 0.994 206 L HN 0.881 nan 8.230 nan 0.000 0.475 207 R N -1.758 118.200 120.500 -0.903 0.000 2.828 207 R HA 0.319 4.659 4.340 -0.000 0.000 0.280 207 R C -1.104 175.163 176.300 -0.055 0.000 1.020 207 R CA -0.865 54.988 56.100 -0.411 0.000 0.855 207 R CB 0.466 30.684 30.300 -0.137 0.000 1.278 207 R HN -0.216 nan 8.270 nan 0.000 0.495 208 E N 0.708 121.005 120.200 0.162 0.000 2.376 208 E HA 0.271 4.621 4.350 -0.000 0.000 0.254 208 E C -0.238 176.430 176.600 0.113 0.000 1.213 208 E CA -0.606 55.913 56.400 0.198 0.000 0.945 208 E CB 0.950 30.770 29.700 0.200 0.000 1.057 208 E HN 0.311 nan 8.360 nan 0.000 0.479 209 V N 2.022 122.002 119.914 0.110 0.000 2.370 209 V HA 0.074 4.194 4.120 -0.000 0.000 0.279 209 V C 0.513 176.645 176.094 0.063 0.000 1.029 209 V CA -0.686 61.664 62.300 0.083 0.000 0.870 209 V CB 1.306 33.189 31.823 0.100 0.000 0.984 209 V HN 0.421 nan 8.190 nan 0.000 0.451 210 E N 5.380 125.605 120.200 0.042 0.000 2.437 210 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 210 E C -2.348 174.244 176.600 -0.014 0.000 1.030 210 E CA -1.508 54.897 56.400 0.008 0.000 0.934 210 E CB 0.639 30.337 29.700 -0.003 0.000 0.943 210 E HN 0.416 nan 8.360 nan 0.000 0.444 211 P HA 0.007 nan 4.420 nan 0.000 0.265 211 P C 0.534 177.721 177.300 -0.188 0.000 1.193 211 P CA 0.836 63.873 63.100 -0.106 0.000 0.765 211 P CB 0.437 32.057 31.700 -0.134 0.000 0.823 212 G N 1.097 109.708 108.800 -0.315 0.000 2.168 212 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.263 212 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.263 212 G C 0.158 174.698 174.900 -0.601 0.000 0.977 212 G CA 0.107 44.666 45.100 -0.901 0.000 0.659 212 G HN 0.642 nan 8.290 nan 0.000 0.533 213 E N -0.095 120.073 120.200 -0.055 0.000 2.283 213 E HA 0.695 5.045 4.350 -0.000 0.000 0.271 213 E C 0.452 177.260 176.600 0.346 0.000 1.031 213 E CA -0.851 55.616 56.400 0.112 0.000 0.868 213 E CB 0.479 30.216 29.700 0.062 0.000 1.094 213 E HN 0.589 nan 8.360 nan 0.000 0.401 214 M N 3.002 122.764 119.600 0.270 0.000 2.326 214 M HA 0.432 4.912 4.480 -0.000 0.000 0.292 214 M C -2.083 174.262 176.300 0.075 0.000 1.081 214 M CA -0.644 54.771 55.300 0.191 0.000 0.919 214 M CB 1.478 34.175 32.600 0.162 0.000 1.634 214 M HN 0.285 nan 8.290 nan 0.000 0.451 215 L N 4.274 125.516 121.223 0.032 0.000 2.317 215 L HA 0.671 5.011 4.340 -0.000 0.000 0.281 215 L C -1.136 175.690 176.870 -0.072 0.000 1.024 215 L CA -0.827 53.992 54.840 -0.035 0.000 0.810 215 L CB 1.873 43.903 42.059 -0.049 0.000 1.240 215 L HN 0.692 nan 8.230 nan 0.000 0.427 216 I N 4.217 124.719 120.570 -0.114 0.000 2.362 216 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 216 I C -0.325 175.656 176.117 -0.227 0.000 0.994 216 I CA -0.032 61.177 61.300 -0.152 0.000 1.158 216 I CB 1.540 39.461 38.000 -0.131 0.000 1.315 216 I HN 0.337 nan 8.210 nan 0.000 0.451 217 I N 7.350 127.740 120.570 -0.299 0.000 2.465 217 I HA 0.537 4.707 4.170 -0.000 0.000 0.291 217 I C -0.454 175.297 176.117 -0.611 0.000 1.014 217 I CA -0.246 60.830 61.300 -0.373 0.000 1.093 217 I CB 1.532 39.368 38.000 -0.274 0.000 1.267 217 I HN 0.802 nan 8.210 nan 0.000 0.431 218 N N 2.129 120.496 118.700 -0.554 0.000 3.449 218 N HA 0.209 4.948 4.740 -0.000 0.000 0.312 218 N C -0.294 175.117 175.510 -0.164 0.000 1.557 218 N CA -0.761 51.825 53.050 -0.774 0.000 0.864 218 N CB 0.417 38.616 38.487 -0.480 0.000 1.799 218 N HN 0.299 nan 8.380 nan 0.000 0.554 219 D N -0.608 119.845 120.400 0.089 0.000 2.218 219 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 219 D C 1.093 177.466 176.300 0.122 0.000 0.976 219 D CA 1.018 55.155 54.000 0.228 0.000 0.853 219 D CB 0.182 41.120 40.800 0.230 0.000 0.939 219 D HN 0.644 nan 8.370 nan 0.000 0.481 220 E N 1.524 121.751 120.200 0.045 0.000 2.106 220 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 220 E C 0.992 177.620 176.600 0.048 0.000 0.984 220 E CA 1.376 57.796 56.400 0.033 0.000 0.806 220 E CB 0.342 30.040 29.700 -0.004 0.000 0.750 220 E HN 0.250 nan 8.360 nan 0.000 0.458 221 G N 0.258 109.077 108.800 0.032 0.000 2.291 221 G HA2 0.041 4.000 3.960 -0.000 0.000 0.249 221 G HA3 0.041 4.000 3.960 -0.000 0.000 0.249 221 G C -1.217 173.601 174.900 -0.138 0.000 1.340 221 G CA -0.167 44.970 45.100 0.062 0.000 1.017 221 G HN 0.214 nan 8.290 nan 0.000 0.470 222 M N 0.945 120.390 119.600 -0.259 0.000 2.205 222 M HA 0.641 5.120 4.480 -0.000 0.000 0.344 222 M C -0.763 175.414 176.300 -0.205 0.000 1.085 222 M CA -0.741 54.310 55.300 -0.415 0.000 1.001 222 M CB 1.215 33.345 32.600 -0.783 0.000 1.626 222 M HN 0.318 nan 8.290 nan 0.000 0.442 223 K N 2.859 123.159 120.400 -0.166 0.000 2.244 223 K HA 0.402 4.722 4.320 -0.000 0.000 0.260 223 K C -1.050 175.501 176.600 -0.081 0.000 0.951 223 K CA -0.188 56.040 56.287 -0.098 0.000 0.826 223 K CB 2.045 34.494 32.500 -0.084 0.000 1.108 223 K HN 0.790 nan 8.250 nan 0.000 0.433 224 S N 2.437 118.107 115.700 -0.049 0.000 2.651 224 S HA 0.536 5.006 4.470 -0.000 0.000 0.291 224 S C -0.716 173.883 174.600 -0.001 0.000 1.141 224 S CA -0.390 57.795 58.200 -0.025 0.000 1.027 224 S CB 1.116 64.306 63.200 -0.017 0.000 1.043 224 S HN 0.560 nan 8.310 nan 0.000 0.530 225 E N 0.106 120.322 120.200 0.027 0.000 2.454 225 E HA 0.452 4.802 4.350 -0.000 0.000 0.279 225 E C -1.711 174.932 176.600 0.072 0.000 1.029 225 E CA -0.891 55.536 56.400 0.045 0.000 0.831 225 E CB 1.596 31.327 29.700 0.052 0.000 1.405 225 E HN 0.403 nan 8.360 nan 0.000 0.463 226 R N 1.196 121.738 120.500 0.071 0.000 2.521 226 R HA 0.223 4.563 4.340 -0.000 0.000 0.295 226 R C -0.468 175.863 176.300 0.051 0.000 1.183 226 R CA -0.324 55.790 56.100 0.024 0.000 0.957 226 R CB -0.165 30.120 30.300 -0.025 0.000 1.171 226 R HN 0.570 nan 8.270 nan 0.000 0.494 227 F N 0.504 120.466 119.950 0.021 0.000 2.802 227 F HA 0.392 4.919 4.527 -0.000 0.000 0.300 227 F C 0.233 176.050 175.800 0.028 0.000 1.168 227 F CA -0.334 57.678 58.000 0.021 0.000 1.433 227 F CB 0.277 39.294 39.000 0.028 0.000 1.115 227 F HN 0.276 nan 8.300 nan 0.000 0.582 228 S N 0.005 115.521 115.700 -0.307 0.000 2.548 228 S HA 0.501 4.971 4.470 -0.000 0.000 0.278 228 S C -0.354 174.118 174.600 -0.212 0.000 1.150 228 S CA -0.693 57.361 58.200 -0.243 0.000 0.907 228 S CB 0.989 63.972 63.200 -0.362 0.000 1.108 228 S HN 0.153 nan 8.310 nan 0.000 0.459 229 M N 3.196 122.728 119.600 -0.112 0.000 2.313 229 M HA 0.381 4.861 4.480 -0.000 0.000 0.273 229 M C 0.526 176.780 176.300 -0.076 0.000 1.049 229 M CA 0.154 55.401 55.300 -0.088 0.000 1.004 229 M CB -0.352 32.219 32.600 -0.049 0.000 1.461 229 M HN 0.591 nan 8.290 nan 0.000 0.514 230 N N 2.486 121.142 118.700 -0.074 0.000 3.034 230 N HA 0.366 5.106 4.740 -0.000 0.000 0.265 230 N C -0.792 174.674 175.510 -0.073 0.000 1.166 230 N CA -0.317 52.701 53.050 -0.053 0.000 1.081 230 N CB 0.052 38.522 38.487 -0.029 0.000 1.378 230 N HN 0.391 nan 8.380 nan 0.000 0.520 231 I N -1.084 119.435 120.570 -0.085 0.000 2.525 231 I HA 0.487 4.657 4.170 -0.000 0.000 0.301 231 I C -0.607 175.458 176.117 -0.087 0.000 0.992 231 I CA -0.899 60.340 61.300 -0.102 0.000 1.162 231 I CB 1.901 39.822 38.000 -0.130 0.000 1.332 231 I HN 0.244 nan 8.210 nan 0.000 0.458 232 N N 5.112 123.756 118.700 -0.095 0.000 2.576 232 N HA 0.279 5.019 4.740 -0.000 0.000 0.269 232 N C -1.066 174.372 175.510 -0.120 0.000 1.058 232 N CA -0.704 52.292 53.050 -0.089 0.000 0.860 232 N CB 1.215 39.664 38.487 -0.064 0.000 1.249 232 N HN 0.739 nan 8.380 nan 0.000 0.525 233 R N 2.162 122.571 120.500 -0.151 0.000 2.370 233 R HA 0.120 4.460 4.340 -0.000 0.000 0.309 233 R C -0.827 175.379 176.300 -0.158 0.000 1.059 233 R CA 0.268 56.248 56.100 -0.201 0.000 0.981 233 R CB 0.359 30.448 30.300 -0.352 0.000 0.972 233 R HN 0.620 nan 8.270 nan 0.000 0.437 234 S N 4.571 120.189 115.700 -0.136 0.000 2.548 234 S HA 0.139 4.608 4.470 -0.000 0.000 0.168 234 S C -0.320 174.218 174.600 -0.103 0.000 1.068 234 S CA -0.891 57.249 58.200 -0.100 0.000 1.129 234 S CB -0.092 63.044 63.200 -0.106 0.000 1.435 234 S HN 0.657 nan 8.310 nan 0.000 0.410 235 I N 2.207 122.749 120.570 -0.046 0.000 2.754 235 I HA 0.272 4.441 4.170 -0.000 0.000 0.285 235 I C 0.925 177.040 176.117 -0.003 0.000 1.166 235 I CA -0.330 60.956 61.300 -0.022 0.000 1.417 235 I CB 0.664 38.697 38.000 0.056 0.000 1.382 235 I HN 0.905 nan 8.210 nan 0.000 0.588 236 C N 6.545 125.821 119.300 -0.041 0.000 2.592 236 C HA 0.037 4.497 4.460 -0.000 0.000 0.408 236 C C 1.850 176.899 174.990 0.099 0.000 1.436 236 C CA 0.258 59.264 59.018 -0.020 0.000 1.595 236 C CB -0.587 27.115 27.740 -0.063 0.000 2.487 236 C HN 0.964 nan 8.230 nan 0.000 0.610 237 S N 4.835 120.625 115.700 0.150 0.000 2.402 237 S HA -0.117 4.352 4.470 -0.000 0.000 0.229 237 S C 1.949 176.746 174.600 0.328 0.000 1.021 237 S CA 1.301 59.682 58.200 0.301 0.000 0.974 237 S CB -0.136 63.291 63.200 0.379 0.000 0.800 237 S HN 0.860 nan 8.310 nan 0.000 0.484 238 M N 1.283 121.027 119.600 0.239 0.000 2.358 238 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 238 M C 1.811 178.265 176.300 0.257 0.000 1.064 238 M CA 0.935 56.395 55.300 0.268 0.000 1.093 238 M CB -1.164 31.555 32.600 0.199 0.000 1.401 238 M HN 0.217 nan 8.290 nan 0.000 0.440 239 E N -0.113 120.182 120.200 0.159 0.000 2.070 239 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 239 E C 1.965 178.606 176.600 0.069 0.000 1.004 239 E CA 1.656 58.106 56.400 0.084 0.000 0.805 239 E CB -0.455 29.192 29.700 -0.087 0.000 0.744 239 E HN 0.577 nan 8.360 nan 0.000 0.451 240 Y N 0.069 120.441 120.300 0.121 0.000 2.337 240 Y HA 0.006 4.556 4.550 -0.000 0.000 0.293 240 Y C 2.346 178.315 175.900 0.116 0.000 1.123 240 Y CA 0.532 58.691 58.100 0.098 0.000 1.201 240 Y CB -0.153 38.357 38.460 0.083 0.000 1.011 240 Y HN -0.019 nan 8.280 nan 0.000 0.545 241 I N -2.239 118.528 120.570 0.329 0.000 2.500 241 I HA -0.236 3.934 4.170 -0.000 0.000 0.252 241 I C 1.647 177.951 176.117 0.313 0.000 1.142 241 I CA 1.605 63.074 61.300 0.281 0.000 1.451 241 I CB 0.109 38.288 38.000 0.298 0.000 1.093 241 I HN 0.287 nan 8.210 nan 0.000 0.430 242 Y N -2.025 118.387 120.300 0.187 0.000 2.528 242 Y HA 0.085 4.635 4.550 -0.000 0.000 0.279 242 Y C 1.460 177.480 175.900 0.199 0.000 1.133 242 Y CA -0.520 57.683 58.100 0.172 0.000 1.047 242 Y CB -0.291 38.280 38.460 0.186 0.000 1.353 242 Y HN -0.061 nan 8.280 nan 0.000 0.551 243 F N 1.499 121.336 119.950 -0.187 0.000 2.234 243 F HA 0.292 4.819 4.527 -0.000 0.000 0.296 243 F C 1.127 176.835 175.800 -0.154 0.000 1.089 243 F CA 1.056 58.869 58.000 -0.313 0.000 1.343 243 F CB -0.059 38.877 39.000 -0.108 0.000 1.040 243 F HN -0.078 nan 8.300 nan 0.000 0.498 244 S N 0.798 116.498 115.700 -0.000 0.000 2.601 244 S HA 0.254 4.723 4.470 -0.000 0.000 0.271 244 S C 0.145 174.693 174.600 -0.086 0.000 1.305 244 S CA -0.716 57.484 58.200 0.000 0.000 1.022 244 S CB 0.893 64.085 63.200 -0.014 0.000 0.940 244 S HN 0.100 nan 8.310 nan 0.000 0.525 245 R N 1.487 121.897 120.500 -0.151 0.000 2.643 245 R HA 0.087 4.427 4.340 -0.000 0.000 0.270 245 R C -1.845 174.357 176.300 -0.164 0.000 1.061 245 R CA -1.547 54.346 56.100 -0.345 0.000 1.107 245 R CB 0.108 30.102 30.300 -0.510 0.000 0.999 245 R HN 0.383 nan 8.270 nan 0.000 0.460 246 P HA -0.138 nan 4.420 nan 0.000 0.221 246 P C 0.049 177.340 177.300 -0.016 0.000 1.145 246 P CA 1.188 64.271 63.100 -0.029 0.000 0.795 246 P CB 0.165 31.856 31.700 -0.015 0.000 0.775 247 D N -2.483 117.875 120.400 -0.069 0.000 2.340 247 D HA 0.058 4.698 4.640 -0.000 0.000 0.217 247 D C 0.144 176.407 176.300 -0.061 0.000 1.081 247 D CA 0.124 54.090 54.000 -0.056 0.000 0.842 247 D CB -0.343 40.413 40.800 -0.073 0.000 0.934 247 D HN -0.039 nan 8.370 nan 0.000 0.511 248 S N 0.553 116.211 115.700 -0.071 0.000 2.610 248 S HA 0.344 4.814 4.470 -0.000 0.000 0.273 248 S C -0.063 174.498 174.600 -0.066 0.000 1.274 248 S CA -0.664 57.483 58.200 -0.087 0.000 1.023 248 S CB 0.802 63.946 63.200 -0.095 0.000 0.962 248 S HN 0.161 nan 8.310 nan 0.000 0.523 249 N N 2.034 120.678 118.700 -0.093 0.000 2.479 249 N HA 0.382 5.121 4.740 -0.000 0.000 0.261 249 N C -1.138 174.330 175.510 -0.070 0.000 0.979 249 N CA -0.245 52.767 53.050 -0.064 0.000 0.930 249 N CB 0.966 39.388 38.487 -0.108 0.000 1.172 249 N HN 0.447 nan 8.380 nan 0.000 0.499 250 I N 1.527 122.065 120.570 -0.052 0.000 2.301 250 I HA 0.081 4.251 4.170 -0.000 0.000 0.292 250 I C 0.386 176.568 176.117 0.109 0.000 1.046 250 I CA -0.062 61.172 61.300 -0.110 0.000 1.282 250 I CB 0.246 37.902 38.000 -0.573 0.000 1.409 250 I HN 0.415 nan 8.210 nan 0.000 0.484 251 D N 5.597 126.064 120.400 0.112 0.000 2.746 251 D HA -0.182 4.458 4.640 -0.000 0.000 0.236 251 D C 1.118 177.508 176.300 0.149 0.000 1.129 251 D CA 1.214 55.325 54.000 0.185 0.000 0.691 251 D CB -0.542 40.425 40.800 0.279 0.000 1.077 251 D HN 1.130 nan 8.370 nan 0.000 0.432 252 G N -0.483 108.356 108.800 0.065 0.000 2.205 252 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 252 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 252 G C 0.495 175.425 174.900 0.050 0.000 0.980 252 G CA 0.374 45.490 45.100 0.027 0.000 0.632 252 G HN 0.535 nan 8.290 nan 0.000 0.533 253 I N 2.043 122.686 120.570 0.122 0.000 2.312 253 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 253 I C 0.715 176.923 176.117 0.153 0.000 1.031 253 I CA -0.674 60.712 61.300 0.144 0.000 1.293 253 I CB 0.939 39.069 38.000 0.216 0.000 1.403 253 I HN 0.229 nan 8.210 nan 0.000 0.484 254 N N 5.206 123.955 118.700 0.081 0.000 2.458 254 N HA 0.001 4.741 4.740 -0.000 0.000 0.258 254 N C 0.841 176.417 175.510 0.110 0.000 1.219 254 N CA -0.016 53.074 53.050 0.067 0.000 0.902 254 N CB 1.678 40.195 38.487 0.049 0.000 1.076 254 N HN 0.379 nan 8.380 nan 0.000 0.455 255 V N 3.143 123.117 119.914 0.101 0.000 2.453 255 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 255 V C 2.079 178.238 176.094 0.108 0.000 1.048 255 V CA 1.732 64.109 62.300 0.129 0.000 1.049 255 V CB -1.038 30.820 31.823 0.059 0.000 0.672 255 V HN 0.787 nan 8.190 nan 0.000 0.457 256 H N 1.031 120.109 119.070 0.013 0.000 2.293 256 H HA -0.138 4.417 4.556 -0.000 0.000 0.300 256 H C 2.423 177.754 175.328 0.004 0.000 1.082 256 H CA 2.163 58.209 56.048 -0.003 0.000 1.308 256 H CB -0.365 29.383 29.762 -0.023 0.000 1.375 256 H HN 0.345 nan 8.280 nan 0.000 0.495 257 S N 0.431 116.059 115.700 -0.121 0.000 2.365 257 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 257 S C 2.458 176.977 174.600 -0.136 0.000 1.039 257 S CA 1.270 59.366 58.200 -0.174 0.000 1.033 257 S CB -0.874 62.304 63.200 -0.036 0.000 0.887 257 S HN 0.698 nan 8.310 nan 0.000 0.447 258 A N 1.847 124.640 122.820 -0.045 0.000 1.908 258 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 258 A C 2.185 179.741 177.584 -0.048 0.000 1.181 258 A CA 1.479 53.493 52.037 -0.038 0.000 0.627 258 A CB -0.510 18.508 19.000 0.030 0.000 0.818 258 A HN 0.435 nan 8.150 nan 0.000 0.445 259 R N -0.684 119.797 120.500 -0.031 0.000 2.096 259 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 259 R C 2.347 178.598 176.300 -0.081 0.000 1.127 259 R CA 1.475 57.562 56.100 -0.022 0.000 0.968 259 R CB -0.255 30.053 30.300 0.013 0.000 0.861 259 R HN 0.525 nan 8.270 nan 0.000 0.440 260 K N 0.628 120.913 120.400 -0.192 0.000 2.057 260 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 260 K C 1.545 178.078 176.600 -0.112 0.000 1.049 260 K CA 1.489 57.656 56.287 -0.201 0.000 0.931 260 K CB 0.037 32.320 32.500 -0.361 0.000 0.714 260 K HN 0.075 nan 8.250 nan 0.000 0.440 261 N N 1.041 119.679 118.700 -0.103 0.000 2.223 261 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 261 N C 1.716 177.198 175.510 -0.048 0.000 1.016 261 N CA 0.891 53.897 53.050 -0.073 0.000 0.863 261 N CB -0.197 38.245 38.487 -0.076 0.000 0.983 261 N HN 0.185 nan 8.380 nan 0.000 0.429 262 L N -0.282 120.919 121.223 -0.037 0.000 2.083 262 L HA -0.043 4.296 4.340 -0.000 0.000 0.209 262 L C 2.396 179.279 176.870 0.022 0.000 1.083 262 L CA 1.312 56.144 54.840 -0.013 0.000 0.752 262 L CB -0.999 41.059 42.059 -0.003 0.000 0.899 262 L HN 0.228 nan 8.230 nan 0.000 0.433 263 G N 0.108 108.928 108.800 0.033 0.000 2.418 263 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 263 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 263 G C 1.721 176.681 174.900 0.099 0.000 1.158 263 G CA 0.527 45.695 45.100 0.114 0.000 0.771 263 G HN 0.283 nan 8.290 nan 0.000 0.545 264 K N -0.668 119.732 120.400 0.000 0.000 2.057 264 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 264 K C 2.629 179.201 176.600 -0.047 0.000 1.049 264 K CA 1.014 57.269 56.287 -0.052 0.000 0.931 264 K CB -0.180 32.282 32.500 -0.063 0.000 0.714 264 K HN 0.185 nan 8.250 nan 0.000 0.440 265 M N 0.420 120.007 119.600 -0.021 0.000 2.175 265 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 265 M C 2.216 178.522 176.300 0.010 0.000 1.063 265 M CA 1.059 56.348 55.300 -0.018 0.000 1.119 265 M CB -0.755 31.832 32.600 -0.022 0.000 1.377 265 M HN 0.126 nan 8.290 nan 0.000 0.415 266 L N 0.696 121.957 121.223 0.063 0.000 2.083 266 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 266 L C 2.445 179.422 176.870 0.179 0.000 1.083 266 L CA 2.042 56.965 54.840 0.137 0.000 0.752 266 L CB -1.038 41.138 42.059 0.195 0.000 0.899 266 L HN 0.234 nan 8.230 nan 0.000 0.433 267 A N -0.411 122.433 122.820 0.040 0.000 1.877 267 A HA -0.287 4.032 4.320 -0.000 0.000 0.216 267 A C 2.220 179.722 177.584 -0.137 0.000 1.186 267 A CA 1.797 53.652 52.037 -0.303 0.000 0.620 267 A CB -0.775 17.858 19.000 -0.612 0.000 0.822 267 A HN 0.730 nan 8.150 nan 0.000 0.443 268 Q N -0.525 119.219 119.800 -0.093 0.000 2.297 268 Q HA -0.121 4.218 4.340 -0.000 0.000 0.204 268 Q C 1.456 177.438 176.000 -0.030 0.000 0.962 268 Q CA 1.557 57.321 55.803 -0.064 0.000 0.879 268 Q CB -0.238 28.465 28.738 -0.059 0.000 0.947 268 Q HN 0.735 nan 8.270 nan 0.000 0.462 269 E N 0.807 121.004 120.200 -0.004 0.000 2.122 269 E HA 0.008 4.357 4.350 -0.000 0.000 0.190 269 E C -0.047 176.565 176.600 0.019 0.000 0.977 269 E CA 0.907 57.312 56.400 0.008 0.000 0.820 269 E CB 0.490 30.202 29.700 0.020 0.000 0.770 269 E HN 0.399 nan 8.360 nan 0.000 0.462 270 S N 0.186 115.913 115.700 0.045 0.000 2.609 270 S HA 0.638 5.108 4.470 -0.000 0.000 0.250 270 S C -0.506 174.162 174.600 0.113 0.000 1.112 270 S CA -0.906 57.330 58.200 0.060 0.000 1.102 270 S CB 1.592 64.829 63.200 0.061 0.000 1.124 270 S HN 0.233 nan 8.310 nan 0.000 0.460 271 A N 2.182 125.024 122.820 0.038 0.000 2.256 271 A HA 0.997 5.316 4.320 -0.000 0.000 0.318 271 A C -0.206 177.395 177.584 0.028 0.000 1.103 271 A CA -0.989 51.072 52.037 0.039 0.000 0.860 271 A CB 1.466 20.443 19.000 -0.038 0.000 1.182 271 A HN 1.420 nan 8.150 nan 0.000 0.501 272 V N -0.806 119.127 119.914 0.031 0.000 3.206 272 V HA 0.538 4.658 4.120 -0.000 0.000 0.305 272 V C -1.196 174.896 176.094 -0.004 0.000 1.257 272 V CA -0.618 61.647 62.300 -0.058 0.000 1.057 272 V CB 2.136 33.860 31.823 -0.165 0.000 1.075 272 V HN 1.042 nan 8.190 nan 0.000 0.443 273 E N 1.662 121.854 120.200 -0.014 0.000 2.158 273 E HA 0.789 5.139 4.350 -0.000 0.000 0.271 273 E C -0.744 175.897 176.600 0.067 0.000 0.911 273 E CA -0.003 56.412 56.400 0.025 0.000 0.767 273 E CB 1.746 31.455 29.700 0.015 0.000 1.120 273 E HN 1.121 nan 8.360 nan 0.000 0.405 274 A N 3.616 126.488 122.820 0.087 0.000 2.536 274 A HA 0.314 4.634 4.320 -0.000 0.000 0.293 274 A C -0.784 176.848 177.584 0.081 0.000 1.119 274 A CA -0.613 51.493 52.037 0.115 0.000 0.654 274 A CB 1.119 20.230 19.000 0.185 0.000 1.291 274 A HN 0.681 nan 8.150 nan 0.000 0.439 275 D N -0.894 119.545 120.400 0.065 0.000 2.423 275 D HA 0.292 4.931 4.640 -0.000 0.000 0.212 275 D C -0.104 176.220 176.300 0.041 0.000 1.060 275 D CA 0.886 54.911 54.000 0.043 0.000 0.872 275 D CB 1.164 41.979 40.800 0.025 0.000 1.012 275 D HN 0.205 nan 8.370 nan 0.000 0.503 276 V N 1.294 121.235 119.914 0.044 0.000 2.888 276 V HA 0.303 4.423 4.120 -0.000 0.000 0.309 276 V C -0.567 175.558 176.094 0.051 0.000 1.114 276 V CA -0.846 61.471 62.300 0.028 0.000 0.940 276 V CB 3.187 35.004 31.823 -0.011 0.000 1.021 276 V HN -0.244 nan 8.190 nan 0.000 0.426 277 V N 2.924 122.883 119.914 0.074 0.000 2.459 277 V HA 0.674 4.794 4.120 -0.000 0.000 0.295 277 V C 0.048 176.166 176.094 0.039 0.000 1.029 277 V CA -0.266 62.099 62.300 0.108 0.000 0.874 277 V CB 1.942 33.920 31.823 0.259 0.000 0.985 277 V HN 0.933 nan 8.190 nan 0.000 0.438 278 T N 3.185 117.744 114.554 0.008 0.000 2.876 278 T HA 0.737 5.087 4.350 -0.000 0.000 0.289 278 T C 0.221 174.949 174.700 0.047 0.000 1.014 278 T CA 0.197 62.279 62.100 -0.030 0.000 0.986 278 T CB 1.552 70.379 68.868 -0.068 0.000 1.021 278 T HN 0.922 nan 8.240 nan 0.000 0.458 279 G N 1.309 110.177 108.800 0.112 0.000 2.583 279 G HA2 0.620 4.580 3.960 -0.000 0.000 0.280 279 G HA3 0.620 4.580 3.960 -0.000 0.000 0.280 279 G C -1.034 173.895 174.900 0.049 0.000 1.376 279 G CA -0.544 44.623 45.100 0.111 0.000 1.043 279 G HN 0.770 nan 8.290 nan 0.000 0.538 280 V N 1.026 120.969 119.914 0.047 0.000 2.407 280 V HA 0.303 4.422 4.120 -0.000 0.000 0.291 280 V C -2.304 173.814 176.094 0.039 0.000 1.018 280 V CA -1.424 60.892 62.300 0.027 0.000 0.842 280 V CB 1.949 33.783 31.823 0.018 0.000 0.996 280 V HN 0.460 nan 8.190 nan 0.000 0.426 281 P HA 0.083 nan 4.420 nan 0.000 0.255 281 P C 0.085 177.399 177.300 0.023 0.000 1.173 281 P CA 1.110 64.222 63.100 0.020 0.000 0.780 281 P CB 0.281 31.980 31.700 -0.002 0.000 0.758 282 D N 0.773 121.189 120.400 0.027 0.000 3.081 282 D HA -0.199 4.441 4.640 -0.000 0.000 0.213 282 D C 1.640 177.975 176.300 0.057 0.000 1.240 282 D CA 2.345 56.358 54.000 0.021 0.000 2.076 282 D CB -1.713 39.083 40.800 -0.007 0.000 1.302 282 D HN 0.457 nan 8.370 nan 0.000 0.529 283 S N 0.293 116.059 115.700 0.111 0.000 2.343 283 S HA -0.107 4.363 4.470 -0.000 0.000 0.219 283 S C 1.563 176.249 174.600 0.143 0.000 1.033 283 S CA 2.038 60.349 58.200 0.185 0.000 1.014 283 S CB -0.390 62.978 63.200 0.279 0.000 0.915 283 S HN 0.544 nan 8.310 nan 0.000 0.435 284 S N 0.979 116.742 115.700 0.105 0.000 2.602 284 S HA 0.388 4.858 4.470 -0.000 0.000 0.246 284 S C 1.111 175.766 174.600 0.091 0.000 1.009 284 S CA -0.599 57.653 58.200 0.087 0.000 1.052 284 S CB -0.407 62.828 63.200 0.058 0.000 0.778 284 S HN 0.311 nan 8.310 nan 0.000 0.455 285 I N 2.491 123.120 120.570 0.098 0.000 2.072 285 I HA -0.119 4.051 4.170 -0.000 0.000 0.235 285 I C 2.602 178.761 176.117 0.071 0.000 1.058 285 I CA 1.068 62.439 61.300 0.119 0.000 1.320 285 I CB -1.874 36.190 38.000 0.106 0.000 1.047 285 I HN 0.336 nan 8.210 nan 0.000 0.397 286 S N 1.412 117.166 115.700 0.089 0.000 2.372 286 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 286 S C 2.190 176.768 174.600 -0.037 0.000 1.044 286 S CA 1.708 59.948 58.200 0.067 0.000 1.050 286 S CB -0.675 62.589 63.200 0.107 0.000 0.901 286 S HN 0.580 nan 8.310 nan 0.000 0.447 287 A N 1.500 124.321 122.820 0.001 0.000 1.933 287 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 287 A C 2.385 179.988 177.584 0.033 0.000 1.175 287 A CA 1.718 53.760 52.037 0.008 0.000 0.628 287 A CB -1.096 17.923 19.000 0.031 0.000 0.814 287 A HN 0.548 nan 8.150 nan 0.000 0.444 288 A N 0.125 122.970 122.820 0.041 0.000 1.902 288 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 288 A C 2.109 179.687 177.584 -0.010 0.000 1.181 288 A CA 1.501 53.596 52.037 0.095 0.000 0.623 288 A CB -0.626 18.511 19.000 0.228 0.000 0.818 288 A HN 0.502 nan 8.150 nan 0.000 0.443 289 I N -0.300 120.102 120.570 -0.281 0.000 2.163 289 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 289 I C 2.713 178.728 176.117 -0.168 0.000 1.085 289 I CA 1.300 62.320 61.300 -0.467 0.000 1.347 289 I CB -0.738 37.014 38.000 -0.414 0.000 1.044 289 I HN 0.414 nan 8.210 nan 0.000 0.408 290 G N -0.303 108.441 108.800 -0.092 0.000 2.421 290 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.216 290 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.216 290 G C 1.651 176.551 174.900 -0.000 0.000 1.171 290 G CA 0.660 45.727 45.100 -0.056 0.000 0.775 290 G HN 0.354 nan 8.290 nan 0.000 0.543 291 Y N 1.946 122.215 120.300 -0.052 0.000 2.145 291 Y HA -0.030 4.519 4.550 -0.000 0.000 0.286 291 Y C 2.960 178.857 175.900 -0.005 0.000 1.145 291 Y CA 1.605 59.692 58.100 -0.022 0.000 1.148 291 Y CB -0.274 38.184 38.460 -0.003 0.000 0.981 291 Y HN 0.256 nan 8.280 nan 0.000 0.507 292 A N 0.290 123.237 122.820 0.211 0.000 1.877 292 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 292 A C 2.082 179.681 177.584 0.025 0.000 1.186 292 A CA 1.908 54.045 52.037 0.166 0.000 0.620 292 A CB -0.766 18.370 19.000 0.227 0.000 0.822 292 A HN 0.618 nan 8.150 nan 0.000 0.443 293 E N -0.261 119.931 120.200 -0.014 0.000 2.118 293 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 293 E C 2.234 178.789 176.600 -0.075 0.000 0.992 293 E CA 1.057 57.433 56.400 -0.039 0.000 0.804 293 E CB -0.289 29.382 29.700 -0.049 0.000 0.741 293 E HN 0.625 nan 8.360 nan 0.000 0.458 294 A N 0.511 123.255 122.820 -0.127 0.000 1.968 294 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 294 A C 2.274 179.745 177.584 -0.189 0.000 1.169 294 A CA 1.509 53.450 52.037 -0.160 0.000 0.638 294 A CB -0.293 18.584 19.000 -0.205 0.000 0.812 294 A HN 0.159 nan 8.150 nan 0.000 0.446 295 T N -2.116 112.293 114.554 -0.242 0.000 3.051 295 T HA 0.335 4.685 4.350 -0.000 0.000 0.255 295 T C 1.377 176.022 174.700 -0.091 0.000 1.085 295 T CA 1.435 63.403 62.100 -0.221 0.000 1.109 295 T CB -0.191 68.437 68.868 -0.400 0.000 0.921 295 T HN 1.374 nan 8.240 nan 0.000 0.488 296 G N 1.280 110.050 108.800 -0.050 0.000 2.184 296 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 296 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 296 G C 0.211 175.124 174.900 0.021 0.000 0.975 296 G CA 0.251 45.344 45.100 -0.011 0.000 0.642 296 G HN 0.587 nan 8.290 nan 0.000 0.536 297 I N 3.485 124.081 120.570 0.044 0.000 2.496 297 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 297 I C -1.189 174.988 176.117 0.099 0.000 1.080 297 I CA -2.018 59.329 61.300 0.077 0.000 1.404 297 I CB 0.922 38.994 38.000 0.121 0.000 1.403 297 I HN -0.037 nan 8.210 nan 0.000 0.539 298 P HA -0.112 nan 4.420 nan 0.000 0.266 298 P C -1.136 176.244 177.300 0.134 0.000 1.195 298 P CA 0.087 63.244 63.100 0.096 0.000 0.768 298 P CB 0.429 32.161 31.700 0.054 0.000 0.838 299 Y N 3.225 123.547 120.300 0.037 0.000 2.336 299 Y HA 0.265 4.815 4.550 -0.000 0.000 0.335 299 Y C -0.017 175.898 175.900 0.025 0.000 1.046 299 Y CA -0.037 58.086 58.100 0.039 0.000 1.198 299 Y CB 0.589 39.074 38.460 0.042 0.000 1.182 299 Y HN 0.295 nan 8.280 nan 0.000 0.502 300 E N 4.863 124.721 120.200 -0.569 0.000 2.336 300 E HA 0.303 4.653 4.350 -0.000 0.000 0.267 300 E C -1.505 174.736 176.600 -0.598 0.000 0.906 300 E CA -1.106 55.013 56.400 -0.468 0.000 0.781 300 E CB 2.102 31.676 29.700 -0.211 0.000 1.261 300 E HN 0.603 nan 8.360 nan 0.000 0.436 301 L N 1.482 122.485 121.223 -0.367 0.000 2.385 301 L HA 0.308 4.648 4.340 -0.000 0.000 0.285 301 L C 1.251 178.028 176.870 -0.155 0.000 1.125 301 L CA 0.511 55.208 54.840 -0.239 0.000 0.890 301 L CB 0.391 42.364 42.059 -0.144 0.000 1.251 301 L HN 0.774 nan 8.230 nan 0.000 0.445 302 G N 4.066 112.787 108.800 -0.132 0.000 3.192 302 G HA2 0.377 4.337 3.960 -0.000 0.000 0.239 302 G HA3 0.377 4.337 3.960 -0.000 0.000 0.239 302 G C 0.149 175.011 174.900 -0.063 0.000 1.084 302 G CA 0.010 45.057 45.100 -0.088 0.000 0.784 302 G HN 0.363 nan 8.290 nan 0.000 0.540 303 L N 1.092 122.279 121.223 -0.059 0.000 2.455 303 L HA 0.560 4.900 4.340 -0.000 0.000 0.264 303 L C -1.231 175.616 176.870 -0.037 0.000 0.968 303 L CA -0.921 53.895 54.840 -0.041 0.000 0.827 303 L CB 2.740 44.780 42.059 -0.032 0.000 1.317 303 L HN -0.167 nan 8.230 nan 0.000 0.407 304 I N 2.413 122.964 120.570 -0.031 0.000 2.569 304 I HA 0.402 4.572 4.170 -0.000 0.000 0.296 304 I C -0.411 175.688 176.117 -0.030 0.000 1.028 304 I CA -0.629 60.654 61.300 -0.029 0.000 1.082 304 I CB 2.232 40.216 38.000 -0.025 0.000 1.264 304 I HN 0.583 nan 8.210 nan 0.000 0.429 305 K N 5.064 125.444 120.400 -0.034 0.000 2.274 305 K HA 0.269 4.589 4.320 -0.000 0.000 0.262 305 K C -0.195 176.370 176.600 -0.059 0.000 0.961 305 K CA -0.566 55.693 56.287 -0.046 0.000 0.833 305 K CB 1.123 33.597 32.500 -0.044 0.000 1.102 305 K HN 0.536 nan 8.250 nan 0.000 0.436 306 N N 3.381 122.036 118.700 -0.074 0.000 2.483 306 N HA 0.013 4.753 4.740 -0.000 0.000 0.264 306 N C 0.210 175.662 175.510 -0.097 0.000 1.197 306 N CA 0.402 53.412 53.050 -0.066 0.000 0.927 306 N CB 0.759 39.180 38.487 -0.111 0.000 1.065 306 N HN 0.646 nan 8.380 nan 0.000 0.461 307 R N 2.879 123.312 120.500 -0.111 0.000 2.275 307 R HA -0.020 4.320 4.340 -0.000 0.000 0.199 307 R C 0.206 176.261 176.300 -0.409 0.000 0.989 307 R CA 0.792 56.702 56.100 -0.318 0.000 1.016 307 R CB 0.209 30.174 30.300 -0.559 0.000 0.918 307 R HN 0.613 nan 8.270 nan 0.000 0.473 308 Y N 0.323 120.569 120.300 -0.090 0.000 2.681 308 Y HA 0.156 4.706 4.550 -0.000 0.000 0.267 308 Y C 0.355 176.191 175.900 -0.106 0.000 1.166 308 Y CA -0.946 57.116 58.100 -0.063 0.000 1.209 308 Y CB 0.582 39.026 38.460 -0.026 0.000 1.161 308 Y HN -0.214 nan 8.280 nan 0.000 0.534 309 V N -0.700 119.147 119.914 -0.112 0.000 2.555 309 V HA 0.875 4.994 4.120 -0.000 0.000 0.286 309 V C 0.516 176.590 176.094 -0.032 0.000 1.044 309 V CA -0.017 62.136 62.300 -0.245 0.000 1.026 309 V CB 0.680 32.268 31.823 -0.391 0.000 0.981 309 V HN 0.293 nan 8.190 nan 0.000 0.480 310 G N 4.171 113.030 108.800 0.098 0.000 2.782 310 G HA2 0.458 4.418 3.960 -0.000 0.000 0.304 310 G HA3 0.458 4.418 3.960 -0.000 0.000 0.304 310 G C 0.258 175.237 174.900 0.132 0.000 1.315 310 G CA -0.436 44.721 45.100 0.095 0.000 0.791 310 G HN 0.804 nan 8.290 nan 0.000 0.519 311 R N -1.317 119.238 120.500 0.092 0.000 2.189 311 R HA 0.054 4.394 4.340 -0.000 0.000 0.218 311 R C 1.479 177.833 176.300 0.090 0.000 1.074 311 R CA 1.873 58.022 56.100 0.081 0.000 0.991 311 R CB -0.595 29.734 30.300 0.049 0.000 0.883 311 R HN 0.311 nan 8.270 nan 0.000 0.457 312 T N 0.021 114.638 114.554 0.105 0.000 3.113 312 T HA 0.033 4.383 4.350 -0.000 0.000 0.256 312 T C 0.097 174.871 174.700 0.123 0.000 1.131 312 T CA -0.116 62.040 62.100 0.092 0.000 1.074 312 T CB -0.184 68.737 68.868 0.088 0.000 0.944 312 T HN 0.176 nan 8.240 nan 0.000 0.516 313 F N 2.687 122.654 119.950 0.028 0.000 2.495 313 F HA 0.410 4.937 4.527 -0.000 0.000 0.365 313 F C 0.022 175.834 175.800 0.020 0.000 1.090 313 F CA -2.190 55.826 58.000 0.028 0.000 1.235 313 F CB 0.118 39.139 39.000 0.035 0.000 1.119 313 F HN -0.010 nan 8.300 nan 0.000 0.562 314 I N 6.613 126.762 120.570 -0.701 0.000 2.471 314 I HA 0.055 4.225 4.170 -0.000 0.000 0.286 314 I C 0.044 175.731 176.117 -0.717 0.000 1.079 314 I CA -0.488 60.501 61.300 -0.519 0.000 1.398 314 I CB 0.543 38.317 38.000 -0.376 0.000 1.403 314 I HN 0.455 nan 8.210 nan 0.000 0.530 315 Q N 7.803 127.415 119.800 -0.314 0.000 2.293 315 Q HA 0.326 4.666 4.340 -0.000 0.000 0.251 315 Q C -2.046 173.873 176.000 -0.136 0.000 0.930 315 Q CA -1.872 53.834 55.803 -0.161 0.000 0.893 315 Q CB 0.319 29.059 28.738 0.004 0.000 1.215 315 Q HN 0.370 nan 8.270 nan 0.000 0.425 316 P HA -0.031 nan 4.420 nan 0.000 0.266 316 P C -0.447 176.841 177.300 -0.020 0.000 1.195 316 P CA 0.027 63.106 63.100 -0.034 0.000 0.768 316 P CB 0.409 32.121 31.700 0.019 0.000 0.838 317 S N 1.819 117.505 115.700 -0.023 0.000 2.572 317 S HA -0.030 4.439 4.470 -0.000 0.000 0.279 317 S C 1.618 176.216 174.600 -0.003 0.000 1.341 317 S CA -0.600 57.592 58.200 -0.014 0.000 1.043 317 S CB 0.599 63.789 63.200 -0.016 0.000 0.887 317 S HN 0.587 nan 8.310 nan 0.000 0.516 318 Q N 2.357 122.157 119.800 -0.000 0.000 2.242 318 Q HA -0.261 4.079 4.340 -0.000 0.000 0.211 318 Q C 1.893 177.895 176.000 0.003 0.000 0.992 318 Q CA 2.331 58.136 55.803 0.004 0.000 0.889 318 Q CB -1.597 27.142 28.738 0.003 0.000 0.913 318 Q HN 0.929 nan 8.270 nan 0.000 0.422 319 A N 0.726 123.547 122.820 0.000 0.000 1.898 319 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 319 A C 2.199 179.784 177.584 0.002 0.000 1.181 319 A CA 1.353 53.390 52.037 0.000 0.000 0.620 319 A CB -0.514 18.485 19.000 -0.002 0.000 0.819 319 A HN 0.306 nan 8.150 nan 0.000 0.442 320 L N -0.783 120.441 121.223 0.002 0.000 2.072 320 L HA 0.029 4.369 4.340 -0.000 0.000 0.205 320 L C 2.482 179.359 176.870 0.012 0.000 1.079 320 L CA 1.767 56.610 54.840 0.005 0.000 0.752 320 L CB -0.741 41.320 42.059 0.002 0.000 0.906 320 L HN 0.344 nan 8.230 nan 0.000 0.436 321 R N -0.123 120.386 120.500 0.014 0.000 2.096 321 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 321 R C 2.085 178.392 176.300 0.013 0.000 1.127 321 R CA 1.527 57.639 56.100 0.019 0.000 0.968 321 R CB -0.112 30.200 30.300 0.020 0.000 0.861 321 R HN 0.571 nan 8.270 nan 0.000 0.440 322 E N -0.300 119.905 120.200 0.008 0.000 2.427 322 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 322 E C 1.318 177.921 176.600 0.005 0.000 1.028 322 E CA 0.626 57.030 56.400 0.005 0.000 0.864 322 E CB -0.019 29.683 29.700 0.003 0.000 0.813 322 E HN 0.468 nan 8.360 nan 0.000 0.514 323 Q N 0.196 119.999 119.800 0.006 0.000 2.435 323 Q HA 0.032 4.372 4.340 -0.000 0.000 0.207 323 Q C 0.940 176.944 176.000 0.007 0.000 0.956 323 Q CA 0.854 56.660 55.803 0.005 0.000 0.917 323 Q CB 0.396 29.137 28.738 0.005 0.000 0.997 323 Q HN 0.600 nan 8.270 nan 0.000 0.497 324 G N -0.348 108.458 108.800 0.010 0.000 2.367 324 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.181 324 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.181 324 G C 0.039 174.950 174.900 0.017 0.000 1.000 324 G CA -0.249 44.857 45.100 0.010 0.000 0.693 324 G HN 0.134 nan 8.290 nan 0.000 0.480 325 V N 4.286 124.215 119.914 0.024 0.000 2.458 325 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 325 V C 0.981 177.105 176.094 0.051 0.000 1.009 325 V CA -0.090 62.233 62.300 0.039 0.000 1.091 325 V CB 0.285 32.133 31.823 0.042 0.000 0.960 325 V HN 0.345 nan 8.190 nan 0.000 0.476 326 R N 4.686 125.217 120.500 0.052 0.000 2.560 326 R HA 0.531 4.871 4.340 -0.000 0.000 0.270 326 R C 0.323 176.674 176.300 0.085 0.000 1.074 326 R CA -0.330 55.800 56.100 0.049 0.000 1.140 326 R CB 0.672 30.987 30.300 0.025 0.000 1.073 326 R HN 0.625 nan 8.270 nan 0.000 0.527 327 M N 0.479 120.120 119.600 0.067 0.000 3.207 327 M HA 0.195 4.674 4.480 -0.000 0.000 0.202 327 M C 1.653 177.900 176.300 -0.088 0.000 1.730 327 M CA 0.580 55.930 55.300 0.082 0.000 1.461 327 M CB 0.040 32.734 32.600 0.157 0.000 1.013 327 M HN 0.435 nan 8.290 nan 0.000 0.592 328 K N -0.246 120.107 120.400 -0.077 0.000 2.360 328 K HA 0.300 4.620 4.320 -0.000 0.000 0.196 328 K C -0.876 175.680 176.600 -0.073 0.000 1.049 328 K CA 0.234 56.449 56.287 -0.121 0.000 1.049 328 K CB 0.951 33.394 32.500 -0.095 0.000 0.881 328 K HN 0.149 nan 8.250 nan 0.000 0.542 329 L N 0.946 122.143 121.223 -0.043 0.000 2.464 329 L HA 0.331 4.671 4.340 -0.000 0.000 0.266 329 L C -1.660 175.197 176.870 -0.022 0.000 0.965 329 L CA -0.259 54.562 54.840 -0.031 0.000 0.833 329 L CB 2.223 44.268 42.059 -0.023 0.000 1.296 329 L HN 0.135 nan 8.230 nan 0.000 0.405 330 S N 2.933 118.619 115.700 -0.022 0.000 2.547 330 S HA 0.945 5.415 4.470 -0.000 0.000 0.281 330 S C -0.445 174.141 174.600 -0.023 0.000 1.118 330 S CA -0.435 57.754 58.200 -0.017 0.000 0.947 330 S CB 1.679 64.871 63.200 -0.012 0.000 1.053 330 S HN 0.961 nan 8.310 nan 0.000 0.482 331 A N 1.741 124.547 122.820 -0.024 0.000 2.407 331 A HA 0.594 4.914 4.320 -0.000 0.000 0.248 331 A C 0.407 177.973 177.584 -0.030 0.000 1.082 331 A CA -0.393 51.626 52.037 -0.030 0.000 0.785 331 A CB 0.148 19.129 19.000 -0.032 0.000 1.020 331 A HN 1.912 nan 8.150 nan 0.000 0.489 332 V N 3.330 123.223 119.914 -0.036 0.000 2.318 332 V HA 0.396 4.516 4.120 -0.000 0.000 0.271 332 V C 1.176 177.251 176.094 -0.032 0.000 1.030 332 V CA -0.275 62.006 62.300 -0.033 0.000 0.844 332 V CB 0.571 32.372 31.823 -0.037 0.000 1.015 332 V HN 1.067 nan 8.190 nan 0.000 0.460 333 R N 4.665 125.150 120.500 -0.026 0.000 2.117 333 R HA -0.086 4.253 4.340 -0.000 0.000 0.243 333 R C 1.842 178.127 176.300 -0.025 0.000 1.143 333 R CA 2.322 58.408 56.100 -0.024 0.000 0.968 333 R CB -0.641 29.647 30.300 -0.019 0.000 0.863 333 R HN 0.892 nan 8.270 nan 0.000 0.444 334 G N -0.848 107.937 108.800 -0.024 0.000 2.535 334 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 334 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 334 G C 1.054 175.937 174.900 -0.028 0.000 1.122 334 G CA 0.753 45.839 45.100 -0.023 0.000 0.769 334 G HN 0.276 nan 8.290 nan 0.000 0.549 335 V N -0.119 119.774 119.914 -0.035 0.000 3.013 335 V HA -0.008 4.112 4.120 -0.000 0.000 0.238 335 V C 2.638 178.709 176.094 -0.039 0.000 1.161 335 V CA 1.122 63.396 62.300 -0.042 0.000 1.170 335 V CB 0.774 32.562 31.823 -0.060 0.000 0.917 335 V HN 0.283 nan 8.190 nan 0.000 0.478 336 V N -1.624 118.266 119.914 -0.039 0.000 3.354 336 V HA 0.200 4.320 4.120 -0.000 0.000 0.258 336 V C 0.973 177.048 176.094 -0.032 0.000 1.159 336 V CA 0.443 62.720 62.300 -0.039 0.000 1.125 336 V CB -0.372 31.424 31.823 -0.044 0.000 0.774 336 V HN 0.520 nan 8.190 nan 0.000 0.464 337 E N 1.389 121.572 120.200 -0.028 0.000 2.415 337 E HA 0.359 4.708 4.350 -0.000 0.000 0.260 337 E C 1.324 177.912 176.600 -0.020 0.000 1.016 337 E CA 0.760 57.146 56.400 -0.024 0.000 0.924 337 E CB 0.149 29.837 29.700 -0.020 0.000 0.961 337 E HN 0.741 nan 8.360 nan 0.000 0.459 338 G N 3.568 112.356 108.800 -0.021 0.000 2.162 338 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 338 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 338 G C 0.187 175.078 174.900 -0.016 0.000 0.976 338 G CA 0.668 45.758 45.100 -0.017 0.000 0.655 338 G HN 0.464 nan 8.290 nan 0.000 0.533 339 K N -0.165 120.223 120.400 -0.020 0.000 2.168 339 K HA 0.762 5.082 4.320 -0.000 0.000 0.239 339 K C 0.565 177.150 176.600 -0.026 0.000 0.999 339 K CA -0.792 55.485 56.287 -0.017 0.000 0.900 339 K CB 0.618 33.108 32.500 -0.017 0.000 1.111 339 K HN 0.227 nan 8.250 nan 0.000 0.452 340 R N 0.835 121.327 120.500 -0.013 0.000 2.246 340 R HA 0.390 4.729 4.340 -0.000 0.000 0.332 340 R C -0.963 175.332 176.300 -0.008 0.000 0.974 340 R CA -0.722 55.364 56.100 -0.022 0.000 0.837 340 R CB 1.113 31.434 30.300 0.036 0.000 1.145 340 R HN 0.183 nan 8.270 nan 0.000 0.467 341 V N 4.493 124.371 119.914 -0.060 0.000 2.439 341 V HA 0.271 4.390 4.120 -0.000 0.000 0.282 341 V C 0.240 176.313 176.094 -0.036 0.000 1.039 341 V CA -0.788 61.484 62.300 -0.047 0.000 0.913 341 V CB 1.565 33.344 31.823 -0.073 0.000 0.983 341 V HN 0.523 nan 8.190 nan 0.000 0.460 342 V N 3.969 123.887 119.914 0.007 0.000 2.435 342 V HA 0.650 4.770 4.120 -0.000 0.000 0.290 342 V C -0.332 175.715 176.094 -0.079 0.000 1.030 342 V CA -0.635 61.655 62.300 -0.017 0.000 0.881 342 V CB 1.672 33.478 31.823 -0.029 0.000 0.983 342 V HN 0.853 nan 8.190 nan 0.000 0.445 343 M N 6.121 125.659 119.600 -0.103 0.000 2.044 343 M HA 0.486 4.966 4.480 -0.000 0.000 0.333 343 M C -1.240 174.975 176.300 -0.141 0.000 1.004 343 M CA -0.353 54.888 55.300 -0.099 0.000 0.954 343 M CB 1.273 33.822 32.600 -0.084 0.000 1.468 343 M HN 0.687 nan 8.290 nan 0.000 0.414 344 V N 5.179 125.008 119.914 -0.140 0.000 2.461 344 V HA 0.266 4.385 4.120 -0.000 0.000 0.275 344 V C -0.150 175.899 176.094 -0.074 0.000 1.047 344 V CA -0.161 62.045 62.300 -0.156 0.000 0.955 344 V CB 1.317 33.055 31.823 -0.140 0.000 0.988 344 V HN 0.732 nan 8.190 nan 0.000 0.471 345 D N 2.303 122.658 120.400 -0.075 0.000 2.601 345 D HA 0.263 4.902 4.640 -0.000 0.000 0.230 345 D C 0.659 176.952 176.300 -0.011 0.000 1.106 345 D CA -0.560 53.420 54.000 -0.033 0.000 0.873 345 D CB 2.171 42.942 40.800 -0.048 0.000 1.515 345 D HN 0.611 nan 8.370 nan 0.000 0.468 346 D N 0.535 120.955 120.400 0.035 0.000 2.234 346 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 346 D C -0.125 176.217 176.300 0.069 0.000 0.962 346 D CA 0.321 54.365 54.000 0.073 0.000 0.855 346 D CB 0.132 41.024 40.800 0.152 0.000 0.951 346 D HN 0.260 nan 8.370 nan 0.000 0.500 347 S N -0.952 114.771 115.700 0.038 0.000 2.595 347 S HA 0.558 5.028 4.470 -0.000 0.000 0.270 347 S C -1.045 173.584 174.600 0.049 0.000 1.145 347 S CA -1.086 57.159 58.200 0.075 0.000 0.825 347 S CB 1.191 64.441 63.200 0.082 0.000 1.107 347 S HN 0.133 nan 8.310 nan 0.000 0.461 348 I N 1.983 122.628 120.570 0.124 0.000 2.436 348 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 348 I C -0.005 176.153 176.117 0.069 0.000 1.010 348 I CA -0.715 60.639 61.300 0.089 0.000 1.098 348 I CB 1.851 39.953 38.000 0.171 0.000 1.266 348 I HN 0.587 nan 8.210 nan 0.000 0.434 349 V N 5.607 125.522 119.914 0.001 0.000 3.050 349 V HA 0.090 4.210 4.120 -0.000 0.000 0.223 349 V C 1.892 177.965 176.094 -0.035 0.000 1.162 349 V CA 0.507 62.794 62.300 -0.022 0.000 1.247 349 V CB -0.236 31.552 31.823 -0.059 0.000 1.125 349 V HN 0.702 nan 8.190 nan 0.000 0.508 350 R N 0.471 120.939 120.500 -0.054 0.000 2.200 350 R HA 0.263 4.603 4.340 -0.000 0.000 0.208 350 R C 1.748 178.014 176.300 -0.056 0.000 1.033 350 R CA 1.012 57.076 56.100 -0.060 0.000 1.000 350 R CB -0.069 30.188 30.300 -0.073 0.000 0.906 350 R HN 0.687 nan 8.270 nan 0.000 0.462 351 G N -0.170 108.604 108.800 -0.043 0.000 2.317 351 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.227 351 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.227 351 G C 1.120 175.990 174.900 -0.050 0.000 1.042 351 G CA 0.456 45.526 45.100 -0.050 0.000 0.623 351 G HN 0.277 nan 8.290 nan 0.000 0.509 352 T N 1.519 116.044 114.554 -0.048 0.000 2.565 352 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 352 T C 2.450 177.130 174.700 -0.033 0.000 1.082 352 T CA 3.033 65.109 62.100 -0.039 0.000 1.173 352 T CB -1.000 67.846 68.868 -0.036 0.000 0.864 352 T HN 0.567 nan 8.240 nan 0.000 0.425 353 T N 2.248 116.782 114.554 -0.033 0.000 2.665 353 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 353 T C 2.443 177.123 174.700 -0.034 0.000 1.035 353 T CA 1.681 63.764 62.100 -0.029 0.000 1.151 353 T CB -0.618 68.233 68.868 -0.029 0.000 0.862 353 T HN 0.415 nan 8.240 nan 0.000 0.438 354 S N 1.144 116.819 115.700 -0.041 0.000 2.383 354 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 354 S C 1.989 176.560 174.600 -0.048 0.000 1.030 354 S CA 1.216 59.386 58.200 -0.050 0.000 1.002 354 S CB -0.316 62.848 63.200 -0.060 0.000 0.829 354 S HN 0.473 nan 8.310 nan 0.000 0.467 355 R N 1.443 121.917 120.500 -0.043 0.000 2.070 355 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 355 R C 2.491 178.771 176.300 -0.034 0.000 1.138 355 R CA 1.410 57.486 56.100 -0.040 0.000 0.936 355 R CB -0.174 30.102 30.300 -0.039 0.000 0.839 355 R HN 0.263 nan 8.270 nan 0.000 0.429 356 R N 0.126 120.609 120.500 -0.028 0.000 2.091 356 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 356 R C 2.361 178.645 176.300 -0.026 0.000 1.136 356 R CA 1.953 58.039 56.100 -0.022 0.000 0.959 356 R CB -0.396 29.895 30.300 -0.016 0.000 0.856 356 R HN 0.346 nan 8.270 nan 0.000 0.437 357 I N -0.044 120.508 120.570 -0.031 0.000 2.315 357 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 357 I C 2.115 178.207 176.117 -0.043 0.000 1.117 357 I CA 0.989 62.268 61.300 -0.035 0.000 1.404 357 I CB -0.185 37.792 38.000 -0.038 0.000 1.071 357 I HN 0.010 nan 8.210 nan 0.000 0.419 358 V N 0.690 120.576 119.914 -0.047 0.000 2.427 358 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 358 V C 2.498 178.565 176.094 -0.046 0.000 1.051 358 V CA 2.353 64.621 62.300 -0.054 0.000 1.048 358 V CB -0.781 31.008 31.823 -0.057 0.000 0.666 358 V HN 0.477 nan 8.190 nan 0.000 0.456 359 T N -0.108 114.424 114.554 -0.037 0.000 2.674 359 T HA -0.215 4.134 4.350 -0.000 0.000 0.265 359 T C 1.908 176.591 174.700 -0.028 0.000 1.039 359 T CA 1.864 63.946 62.100 -0.030 0.000 1.150 359 T CB -0.289 68.565 68.868 -0.023 0.000 0.864 359 T HN 0.310 nan 8.240 nan 0.000 0.427 360 M N 0.234 119.818 119.600 -0.027 0.000 2.080 360 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 360 M C 2.277 178.560 176.300 -0.030 0.000 1.068 360 M CA 1.405 56.690 55.300 -0.024 0.000 1.109 360 M CB -0.554 32.032 32.600 -0.023 0.000 1.342 360 M HN 0.142 nan 8.290 nan 0.000 0.405 361 L N 0.129 121.330 121.223 -0.038 0.000 2.131 361 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 361 L C 2.435 179.277 176.870 -0.046 0.000 1.092 361 L CA 1.795 56.608 54.840 -0.045 0.000 0.759 361 L CB -0.570 41.456 42.059 -0.055 0.000 0.903 361 L HN 0.176 nan 8.230 nan 0.000 0.435 362 R N -0.940 119.534 120.500 -0.044 0.000 2.093 362 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 362 R C 2.011 178.291 176.300 -0.032 0.000 1.101 362 R CA 1.101 57.175 56.100 -0.042 0.000 0.979 362 R CB -0.118 30.158 30.300 -0.040 0.000 0.877 362 R HN 0.444 nan 8.270 nan 0.000 0.441 363 E N 0.547 120.731 120.200 -0.027 0.000 2.204 363 E HA -0.116 4.233 4.350 -0.000 0.000 0.194 363 E C 1.713 178.300 176.600 -0.020 0.000 0.989 363 E CA 0.967 57.354 56.400 -0.021 0.000 0.824 363 E CB 0.014 29.704 29.700 -0.017 0.000 0.756 363 E HN 0.308 nan 8.360 nan 0.000 0.477 364 A N 0.354 123.159 122.820 -0.024 0.000 2.168 364 A HA 0.138 4.458 4.320 -0.000 0.000 0.215 364 A C 1.707 179.276 177.584 -0.025 0.000 1.152 364 A CA 1.004 53.027 52.037 -0.024 0.000 0.716 364 A CB -0.280 18.704 19.000 -0.027 0.000 0.794 364 A HN 0.346 nan 8.150 nan 0.000 0.465 365 G N -2.383 106.400 108.800 -0.027 0.000 2.135 365 G HA2 0.196 4.155 3.960 -0.000 0.000 0.183 365 G HA3 0.196 4.155 3.960 -0.000 0.000 0.183 365 G C 0.244 175.124 174.900 -0.033 0.000 1.004 365 G CA 0.055 45.138 45.100 -0.027 0.000 0.677 365 G HN 1.490 nan 8.290 nan 0.000 0.512 366 A N 0.482 123.277 122.820 -0.042 0.000 2.488 366 A HA 0.647 4.967 4.320 -0.000 0.000 0.249 366 A C 1.662 179.212 177.584 -0.057 0.000 1.083 366 A CA 1.419 53.424 52.037 -0.053 0.000 0.768 366 A CB 0.286 19.244 19.000 -0.069 0.000 1.017 366 A HN 1.478 nan 8.150 nan 0.000 0.496 367 T N 0.320 114.842 114.554 -0.053 0.000 2.978 367 T HA 0.126 4.476 4.350 -0.000 0.000 0.262 367 T C 0.466 175.121 174.700 -0.076 0.000 1.063 367 T CA 1.120 63.190 62.100 -0.049 0.000 1.140 367 T CB -0.109 68.741 68.868 -0.031 0.000 0.886 367 T HN 0.695 nan 8.240 nan 0.000 0.470 368 E N 0.156 120.285 120.200 -0.118 0.000 2.266 368 E HA 0.631 4.981 4.350 -0.000 0.000 0.268 368 E C -1.802 174.594 176.600 -0.340 0.000 0.879 368 E CA -0.908 55.353 56.400 -0.232 0.000 0.762 368 E CB 2.997 32.543 29.700 -0.258 0.000 1.199 368 E HN 0.006 nan 8.360 nan 0.000 0.422 369 V N 3.627 123.293 119.914 -0.413 0.000 2.409 369 V HA 0.245 4.365 4.120 -0.000 0.000 0.290 369 V C -0.844 175.003 176.094 -0.411 0.000 1.017 369 V CA -0.882 61.219 62.300 -0.332 0.000 0.841 369 V CB 1.121 32.841 31.823 -0.171 0.000 1.003 369 V HN 0.646 nan 8.190 nan 0.000 0.426 370 H N 3.160 122.191 119.070 -0.065 0.000 2.467 370 H HA 0.606 5.162 4.556 -0.000 0.000 0.326 370 H C -0.585 174.669 175.328 -0.125 0.000 1.094 370 H CA -0.513 55.486 56.048 -0.081 0.000 1.253 370 H CB 2.316 32.039 29.762 -0.065 0.000 1.439 370 H HN 0.381 nan 8.280 nan 0.000 0.479 371 V N 4.019 123.911 119.914 -0.037 0.000 2.398 371 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 371 V C -0.048 175.925 176.094 -0.202 0.000 1.026 371 V CA -0.690 61.529 62.300 -0.135 0.000 0.868 371 V CB 1.387 33.117 31.823 -0.155 0.000 0.982 371 V HN 0.544 nan 8.190 nan 0.000 0.443 372 K N 4.789 125.045 120.400 -0.239 0.000 2.463 372 K HA 0.629 4.949 4.320 -0.000 0.000 0.255 372 K C -1.180 175.280 176.600 -0.234 0.000 0.942 372 K CA -0.371 55.757 56.287 -0.264 0.000 0.814 372 K CB 1.516 33.800 32.500 -0.360 0.000 1.122 372 K HN 0.406 nan 8.250 nan 0.000 0.425 373 I N 2.778 123.203 120.570 -0.242 0.000 2.339 373 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 373 I C 0.564 176.656 176.117 -0.042 0.000 0.994 373 I CA -0.517 60.691 61.300 -0.154 0.000 1.191 373 I CB 1.379 39.226 38.000 -0.255 0.000 1.343 373 I HN 0.657 nan 8.210 nan 0.000 0.458 374 S N 3.185 118.881 115.700 -0.007 0.000 2.930 374 S HA 0.329 4.799 4.470 -0.000 0.000 0.257 374 S C 0.353 174.956 174.600 0.006 0.000 1.208 374 S CA -0.393 57.813 58.200 0.010 0.000 1.233 374 S CB -0.416 62.799 63.200 0.024 0.000 0.900 374 S HN 0.535 nan 8.310 nan 0.000 0.472 375 S N 1.688 117.396 115.700 0.014 0.000 2.556 375 S HA 0.601 5.071 4.470 -0.000 0.000 0.271 375 S C -2.932 171.645 174.600 -0.038 0.000 1.135 375 S CA -1.178 56.978 58.200 -0.074 0.000 0.858 375 S CB 1.832 65.064 63.200 0.052 0.000 1.114 375 S HN 0.137 nan 8.310 nan 0.000 0.468 376 P HA 0.257 nan 4.420 nan 0.000 0.271 376 P C -2.623 174.565 177.300 -0.186 0.000 1.233 376 P CA -0.990 61.940 63.100 -0.283 0.000 0.789 376 P CB -0.403 30.992 31.700 -0.510 0.000 0.951 377 P HA 0.114 nan 4.420 nan 0.000 0.269 377 P C -0.482 176.807 177.300 -0.019 0.000 1.215 377 P CA 0.666 63.468 63.100 -0.497 0.000 0.780 377 P CB 0.201 31.468 31.700 -0.721 0.000 0.898 378 I N 1.911 122.500 120.570 0.032 0.000 2.337 378 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 378 I C 0.987 177.067 176.117 -0.063 0.000 1.041 378 I CA -0.263 61.085 61.300 0.079 0.000 1.199 378 I CB 1.273 39.325 38.000 0.087 0.000 1.370 378 I HN 0.393 nan 8.210 nan 0.000 0.470 379 A N 5.591 128.332 122.820 -0.131 0.000 2.014 379 A HA 0.156 4.475 4.320 -0.000 0.000 0.210 379 A C 0.904 178.176 177.584 -0.520 0.000 1.188 379 A CA 0.729 52.554 52.037 -0.354 0.000 0.731 379 A CB 0.131 18.823 19.000 -0.515 0.000 0.858 379 A HN 0.598 nan 8.150 nan 0.000 0.464 380 H N -0.497 118.539 119.070 -0.056 0.000 2.595 380 H HA 0.413 4.969 4.556 -0.000 0.000 0.346 380 H C -2.671 172.618 175.328 -0.064 0.000 1.181 380 H CA -2.148 53.880 56.048 -0.033 0.000 1.242 380 H CB 0.658 30.392 29.762 -0.046 0.000 1.652 380 H HN 0.065 nan 8.280 nan 0.000 0.548 381 P HA 0.013 nan 4.420 nan 0.000 0.276 381 P C -0.251 176.919 177.300 -0.216 0.000 1.230 381 P CA -0.269 62.713 63.100 -0.196 0.000 0.776 381 P CB 0.440 31.879 31.700 -0.434 0.000 0.888 382 C N 4.479 123.639 119.300 -0.234 0.000 2.415 382 C HA 0.363 4.823 4.460 -0.000 0.000 0.369 382 C C 0.690 175.469 174.990 -0.351 0.000 1.279 382 C CA -0.265 58.684 59.018 -0.115 0.000 1.886 382 C CB -1.808 25.896 27.740 -0.060 0.000 2.468 382 C HN 0.542 nan 8.230 nan 0.000 0.553 383 F N 4.372 124.144 119.950 -0.296 0.000 2.639 383 F HA 0.278 4.805 4.527 -0.000 0.000 0.300 383 F C 0.514 175.954 175.800 -0.600 0.000 1.109 383 F CA -0.007 57.686 58.000 -0.511 0.000 1.335 383 F CB -0.215 38.371 39.000 -0.690 0.000 1.014 383 F HN 0.693 nan 8.300 nan 0.000 0.537 384 Y N -0.408 119.964 120.300 0.120 0.000 2.531 384 Y HA 0.567 5.117 4.550 -0.000 0.000 0.249 384 Y C 0.986 176.867 175.900 -0.031 0.000 1.168 384 Y CA -0.710 57.427 58.100 0.061 0.000 1.226 384 Y CB 0.639 39.122 38.460 0.039 0.000 1.177 384 Y HN -0.087 nan 8.280 nan 0.000 0.527 385 G N -0.367 108.443 108.800 0.017 0.000 2.443 385 G HA2 0.241 4.201 3.960 -0.000 0.000 0.303 385 G HA3 0.241 4.201 3.960 -0.000 0.000 0.303 385 G C 0.188 175.001 174.900 -0.146 0.000 1.613 385 G CA -0.694 44.352 45.100 -0.090 0.000 0.879 385 G HN -0.037 nan 8.290 nan 0.000 0.632 386 I N 1.008 121.498 120.570 -0.134 0.000 2.194 386 I HA -0.130 4.040 4.170 -0.000 0.000 0.246 386 I C 2.306 178.149 176.117 -0.457 0.000 1.093 386 I CA 2.211 63.442 61.300 -0.114 0.000 1.355 386 I CB -1.394 36.644 38.000 0.064 0.000 1.046 386 I HN 0.647 nan 8.210 nan 0.000 0.413 387 D N 1.642 121.528 120.400 -0.858 0.000 2.144 387 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 387 D C 1.809 177.671 176.300 -0.730 0.000 0.984 387 D CA 2.057 55.221 54.000 -1.394 0.000 0.834 387 D CB -1.242 38.900 40.800 -1.097 0.000 0.955 387 D HN 0.520 nan 8.370 nan 0.000 0.465 388 T N -3.245 111.009 114.554 -0.501 0.000 3.107 388 T HA 0.236 4.585 4.350 -0.000 0.000 0.249 388 T C 0.823 175.428 174.700 -0.158 0.000 1.096 388 T CA -0.428 61.500 62.100 -0.288 0.000 1.012 388 T CB 0.009 68.733 68.868 -0.239 0.000 0.977 388 T HN -0.002 nan 8.240 nan 0.000 0.527 389 S N 0.576 116.189 115.700 -0.145 0.000 2.767 389 S HA 0.757 5.227 4.470 -0.000 0.000 0.300 389 S C -0.298 174.276 174.600 -0.043 0.000 1.123 389 S CA -0.724 57.425 58.200 -0.084 0.000 0.992 389 S CB 1.773 64.951 63.200 -0.037 0.000 1.138 389 S HN 0.361 nan 8.310 nan 0.000 0.550 390 T N -0.462 114.055 114.554 -0.062 0.000 2.932 390 T HA 0.378 4.728 4.350 -0.000 0.000 0.318 390 T C -0.195 174.389 174.700 -0.194 0.000 1.265 390 T CA -0.586 61.448 62.100 -0.110 0.000 1.036 390 T CB 0.685 69.458 68.868 -0.158 0.000 1.209 390 T HN 0.847 nan 8.240 nan 0.000 0.484 391 H N 0.983 119.850 119.070 -0.338 0.000 2.551 391 H HA 0.519 5.075 4.556 -0.000 0.000 0.266 391 H C 0.461 175.669 175.328 -0.199 0.000 0.964 391 H CA -0.209 55.526 56.048 -0.521 0.000 1.180 391 H CB 0.407 29.658 29.762 -0.851 0.000 1.408 391 H HN 0.424 nan 8.280 nan 0.000 0.563 392 E N 1.204 121.097 120.200 -0.512 0.000 2.250 392 E HA 0.096 4.445 4.350 -0.000 0.000 0.265 392 E C -0.113 176.385 176.600 -0.170 0.000 1.033 392 E CA -0.920 55.297 56.400 -0.306 0.000 0.888 392 E CB 1.319 30.807 29.700 -0.354 0.000 1.151 392 E HN 0.268 nan 8.360 nan 0.000 0.412 393 E N 1.197 121.337 120.200 -0.100 0.000 2.436 393 E HA -0.023 4.327 4.350 -0.000 0.000 0.262 393 E C -0.813 175.750 176.600 -0.061 0.000 1.063 393 E CA 0.320 56.684 56.400 -0.059 0.000 0.944 393 E CB 0.519 30.204 29.700 -0.026 0.000 0.950 393 E HN 0.312 nan 8.360 nan 0.000 0.444 394 L N 5.360 126.556 121.223 -0.045 0.000 2.276 394 L HA 0.240 4.580 4.340 -0.000 0.000 0.286 394 L C 1.487 178.351 176.870 -0.010 0.000 1.024 394 L CA -0.367 54.446 54.840 -0.045 0.000 0.826 394 L CB 0.877 42.897 42.059 -0.066 0.000 1.211 394 L HN 0.592 nan 8.230 nan 0.000 0.422 395 I N 0.159 120.724 120.570 -0.008 0.000 2.830 395 I HA -0.077 4.093 4.170 -0.000 0.000 0.263 395 I C 2.151 178.349 176.117 0.135 0.000 1.230 395 I CA 1.176 62.500 61.300 0.039 0.000 1.480 395 I CB -0.144 37.744 38.000 -0.186 0.000 1.095 395 I HN 0.644 nan 8.210 nan 0.000 0.455 396 A N 1.255 124.094 122.820 0.032 0.000 2.067 396 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 396 A C 2.445 180.010 177.584 -0.030 0.000 1.158 396 A CA 1.687 53.719 52.037 -0.008 0.000 0.661 396 A CB -0.701 18.235 19.000 -0.107 0.000 0.801 396 A HN 0.500 nan 8.150 nan 0.000 0.452 397 S N 0.550 116.225 115.700 -0.042 0.000 2.374 397 S HA -0.159 4.310 4.470 -0.000 0.000 0.227 397 S C 2.009 176.585 174.600 -0.041 0.000 1.037 397 S CA 1.924 60.082 58.200 -0.070 0.000 1.024 397 S CB -0.246 62.924 63.200 -0.051 0.000 0.861 397 S HN 0.861 nan 8.310 nan 0.000 0.456 398 S N -0.708 114.999 115.700 0.012 0.000 2.526 398 S HA 0.311 4.780 4.470 -0.000 0.000 0.220 398 S C 0.018 174.411 174.600 -0.344 0.000 1.017 398 S CA -0.455 57.672 58.200 -0.122 0.000 0.930 398 S CB 0.185 63.332 63.200 -0.088 0.000 0.856 398 S HN 0.479 nan 8.310 nan 0.000 0.497 399 H N 1.588 120.641 119.070 -0.028 0.000 2.834 399 H HA 0.733 5.289 4.556 -0.000 0.000 0.369 399 H C -0.058 175.258 175.328 -0.020 0.000 1.174 399 H CA -0.499 55.542 56.048 -0.012 0.000 1.165 399 H CB 1.530 31.294 29.762 0.004 0.000 1.820 399 H HN 0.220 nan 8.280 nan 0.000 0.558 400 S N -0.523 115.247 115.700 0.116 0.000 2.730 400 S HA 0.250 4.720 4.470 -0.000 0.000 0.284 400 S C 0.974 175.640 174.600 0.110 0.000 1.153 400 S CA -0.698 57.541 58.200 0.066 0.000 0.995 400 S CB 1.091 64.317 63.200 0.044 0.000 1.058 400 S HN 0.310 nan 8.310 nan 0.000 0.552 401 V N 0.729 120.704 119.914 0.102 0.000 2.427 401 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 401 V C 2.220 178.406 176.094 0.155 0.000 1.051 401 V CA 2.359 64.781 62.300 0.203 0.000 1.048 401 V CB -1.066 30.901 31.823 0.240 0.000 0.666 401 V HN 1.002 nan 8.190 nan 0.000 0.456 402 D N -0.332 120.131 120.400 0.104 0.000 2.224 402 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 402 D C 2.157 178.509 176.300 0.087 0.000 0.965 402 D CA 0.841 54.890 54.000 0.081 0.000 0.852 402 D CB 0.072 40.907 40.800 0.059 0.000 0.947 402 D HN 0.526 nan 8.370 nan 0.000 0.494 403 E N -0.502 119.767 120.200 0.114 0.000 2.152 403 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 403 E C 2.018 178.690 176.600 0.120 0.000 0.983 403 E CA 0.475 56.967 56.400 0.152 0.000 0.818 403 E CB 0.163 30.014 29.700 0.251 0.000 0.758 403 E HN 0.413 nan 8.360 nan 0.000 0.467 404 I N 0.693 121.330 120.570 0.111 0.000 2.286 404 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 404 I C 2.652 178.789 176.117 0.033 0.000 1.104 404 I CA 0.711 62.038 61.300 0.046 0.000 1.397 404 I CB -0.180 37.907 38.000 0.146 0.000 1.072 404 I HN 0.009 nan 8.210 nan 0.000 0.417 405 R N 0.997 121.529 120.500 0.054 0.000 2.083 405 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 405 R C 2.274 178.581 176.300 0.011 0.000 1.137 405 R CA 1.855 57.967 56.100 0.020 0.000 0.951 405 R CB -0.193 30.126 30.300 0.032 0.000 0.851 405 R HN 0.429 nan 8.270 nan 0.000 0.434 406 Q N -0.351 119.465 119.800 0.025 0.000 2.084 406 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 406 Q C 2.072 178.074 176.000 0.002 0.000 0.978 406 Q CA 1.250 57.064 55.803 0.019 0.000 0.844 406 Q CB 0.054 28.813 28.738 0.035 0.000 0.898 406 Q HN 0.314 nan 8.270 nan 0.000 0.426 407 E N 0.724 120.916 120.200 -0.013 0.000 2.047 407 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 407 E C 2.002 178.578 176.600 -0.040 0.000 0.987 407 E CA 1.126 57.501 56.400 -0.041 0.000 0.799 407 E CB -0.124 29.510 29.700 -0.110 0.000 0.752 407 E HN 0.526 nan 8.360 nan 0.000 0.449 408 I N -2.616 117.929 120.570 -0.042 0.000 3.001 408 I HA 0.122 4.292 4.170 -0.000 0.000 0.268 408 I C 1.265 177.360 176.117 -0.037 0.000 1.267 408 I CA 1.064 62.338 61.300 -0.043 0.000 1.472 408 I CB -0.310 37.660 38.000 -0.050 0.000 1.089 408 I HN 0.122 nan 8.210 nan 0.000 0.468 409 G N 1.600 110.383 108.800 -0.028 0.000 2.198 409 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 409 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 409 G C 0.378 175.258 174.900 -0.034 0.000 1.042 409 G CA 0.162 45.247 45.100 -0.025 0.000 0.791 409 G HN 1.003 nan 8.290 nan 0.000 0.502 410 A N -0.596 122.203 122.820 -0.035 0.000 2.406 410 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 410 A C 1.336 178.910 177.584 -0.017 0.000 1.082 410 A CA 0.692 52.704 52.037 -0.041 0.000 0.786 410 A CB 0.365 19.342 19.000 -0.039 0.000 1.029 410 A HN 0.258 nan 8.150 nan 0.000 0.495 411 D N -0.572 119.814 120.400 -0.022 0.000 2.123 411 D HA -0.021 4.619 4.640 -0.000 0.000 0.200 411 D C 0.780 177.156 176.300 0.127 0.000 0.976 411 D CA 2.139 56.162 54.000 0.038 0.000 0.831 411 D CB 0.088 40.885 40.800 -0.004 0.000 0.974 411 D HN 0.774 nan 8.370 nan 0.000 0.469 412 T N -1.404 113.272 114.554 0.204 0.000 2.903 412 T HA 0.550 4.900 4.350 -0.000 0.000 0.299 412 T C -0.981 173.736 174.700 0.028 0.000 1.093 412 T CA -0.998 61.167 62.100 0.108 0.000 1.002 412 T CB 2.570 71.479 68.868 0.068 0.000 1.127 412 T HN -0.067 nan 8.240 nan 0.000 0.488 413 L N 1.164 122.368 121.223 -0.031 0.000 2.386 413 L HA 0.873 5.213 4.340 -0.000 0.000 0.271 413 L C -1.030 175.740 176.870 -0.167 0.000 0.993 413 L CA -0.116 54.643 54.840 -0.135 0.000 0.819 413 L CB 2.233 44.204 42.059 -0.146 0.000 1.294 413 L HN 0.941 nan 8.230 nan 0.000 0.414 414 S N 3.509 119.039 115.700 -0.282 0.000 2.549 414 S HA 0.769 5.239 4.470 -0.000 0.000 0.280 414 S C -1.161 173.229 174.600 -0.350 0.000 1.109 414 S CA -0.326 57.766 58.200 -0.180 0.000 0.905 414 S CB 1.290 64.447 63.200 -0.072 0.000 1.081 414 S HN 0.419 nan 8.310 nan 0.000 0.477 415 F N 0.897 120.830 119.950 -0.027 0.000 2.556 415 F HA 0.560 5.087 4.527 -0.000 0.000 0.327 415 F C 0.188 175.957 175.800 -0.051 0.000 1.059 415 F CA -1.009 56.964 58.000 -0.044 0.000 0.953 415 F CB 0.810 39.782 39.000 -0.046 0.000 1.227 415 F HN 0.266 nan 8.300 nan 0.000 0.478 416 L N 1.490 122.780 121.223 0.113 0.000 2.436 416 L HA 0.304 4.644 4.340 -0.000 0.000 0.265 416 L C 0.326 177.188 176.870 -0.014 0.000 1.168 416 L CA -0.394 54.459 54.840 0.023 0.000 0.815 416 L CB 1.236 43.276 42.059 -0.031 0.000 1.109 416 L HN 0.824 nan 8.230 nan 0.000 0.462 417 S N 1.316 117.002 115.700 -0.023 0.000 2.603 417 S HA 0.142 4.612 4.470 -0.000 0.000 0.268 417 S C 1.079 175.627 174.600 -0.086 0.000 1.317 417 S CA -1.001 57.173 58.200 -0.042 0.000 1.012 417 S CB 1.522 64.708 63.200 -0.022 0.000 0.926 417 S HN 0.373 nan 8.310 nan 0.000 0.539 418 V N 1.143 121.003 119.914 -0.089 0.000 2.490 418 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 418 V C 2.698 178.756 176.094 -0.060 0.000 1.061 418 V CA 2.222 64.465 62.300 -0.095 0.000 1.064 418 V CB -1.250 30.551 31.823 -0.037 0.000 0.670 418 V HN 1.016 nan 8.190 nan 0.000 0.461 419 E N 0.389 120.564 120.200 -0.042 0.000 2.077 419 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 419 E C 2.310 178.886 176.600 -0.040 0.000 0.989 419 E CA 1.298 57.679 56.400 -0.032 0.000 0.800 419 E CB -0.351 29.336 29.700 -0.023 0.000 0.746 419 E HN 0.614 nan 8.360 nan 0.000 0.452 420 G N 1.157 109.931 108.800 -0.044 0.000 2.394 420 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.215 420 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.215 420 G C 1.493 176.359 174.900 -0.057 0.000 1.165 420 G CA 0.648 45.722 45.100 -0.043 0.000 0.784 420 G HN 0.266 nan 8.290 nan 0.000 0.535 421 L N 0.717 121.894 121.223 -0.077 0.000 1.971 421 L HA -0.038 4.302 4.340 -0.000 0.000 0.215 421 L C 2.693 179.515 176.870 -0.080 0.000 1.072 421 L CA 1.715 56.500 54.840 -0.092 0.000 0.758 421 L CB -0.596 41.370 42.059 -0.154 0.000 0.889 421 L HN 0.216 nan 8.230 nan 0.000 0.433 422 L N -0.686 120.499 121.223 -0.063 0.000 2.083 422 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 422 L C 2.664 179.495 176.870 -0.066 0.000 1.083 422 L CA 1.611 56.418 54.840 -0.055 0.000 0.752 422 L CB -0.672 41.371 42.059 -0.026 0.000 0.899 422 L HN 0.331 nan 8.230 nan 0.000 0.433 423 K N 0.288 120.653 120.400 -0.058 0.000 2.057 423 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 423 K C 2.075 178.633 176.600 -0.069 0.000 1.049 423 K CA 1.378 57.632 56.287 -0.056 0.000 0.931 423 K CB -0.258 32.214 32.500 -0.046 0.000 0.714 423 K HN 0.320 nan 8.250 nan 0.000 0.440 424 G N 0.915 109.671 108.800 -0.074 0.000 2.394 424 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 424 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 424 G C 1.482 176.315 174.900 -0.111 0.000 1.176 424 G CA 0.716 45.768 45.100 -0.080 0.000 0.786 424 G HN 0.221 nan 8.290 nan 0.000 0.533 425 I N 0.893 121.369 120.570 -0.157 0.000 2.252 425 I HA 0.045 4.215 4.170 -0.000 0.000 0.245 425 I C 2.010 177.987 176.117 -0.232 0.000 1.102 425 I CA 1.037 62.175 61.300 -0.271 0.000 1.385 425 I CB -0.339 37.395 38.000 -0.443 0.000 1.064 425 I HN 0.368 nan 8.210 nan 0.000 0.414 426 G N 2.105 110.806 108.800 -0.164 0.000 2.248 426 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 426 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 426 G C 0.028 174.854 174.900 -0.123 0.000 1.085 426 G CA -0.425 44.602 45.100 -0.123 0.000 0.845 426 G HN 0.330 nan 8.290 nan 0.000 0.494 427 R N -0.389 120.040 120.500 -0.118 0.000 2.531 427 R HA 0.505 4.845 4.340 -0.000 0.000 0.273 427 R C -0.015 176.160 176.300 -0.207 0.000 1.070 427 R CA -0.399 55.622 56.100 -0.131 0.000 1.112 427 R CB 0.703 31.018 30.300 0.026 0.000 1.049 427 R HN -0.005 nan 8.270 nan 0.000 0.508 428 K N 3.081 123.229 120.400 -0.421 0.000 2.459 428 K HA 0.235 4.555 4.320 -0.000 0.000 0.218 428 K C -1.307 174.917 176.600 -0.626 0.000 1.067 428 K CA -0.234 55.828 56.287 -0.375 0.000 1.045 428 K CB 0.512 32.841 32.500 -0.285 0.000 1.623 428 K HN 0.459 nan 8.250 nan 0.000 0.509 429 Y N 1.276 121.577 120.300 0.001 0.000 2.346 429 Y HA 0.092 4.642 4.550 -0.000 0.000 0.332 429 Y C 0.102 176.001 175.900 -0.001 0.000 0.985 429 Y CA -2.026 56.076 58.100 0.004 0.000 1.112 429 Y CB 1.331 39.796 38.460 0.008 0.000 1.170 429 Y HN 0.330 nan 8.280 nan 0.000 0.447 430 D N 3.976 124.460 120.400 0.140 0.000 2.344 430 D HA 0.255 4.895 4.640 -0.000 0.000 0.253 430 D C -0.506 175.841 176.300 0.078 0.000 1.255 430 D CA 0.165 54.210 54.000 0.074 0.000 0.894 430 D CB 0.676 41.506 40.800 0.050 0.000 1.067 430 D HN 0.746 nan 8.370 nan 0.000 0.492 431 D N 0.350 120.787 120.400 0.062 0.000 3.133 431 D HA -0.132 4.508 4.640 -0.000 0.000 0.282 431 D C 0.541 176.864 176.300 0.038 0.000 1.059 431 D CA -0.373 53.653 54.000 0.043 0.000 0.721 431 D CB 0.058 40.882 40.800 0.040 0.000 1.558 431 D HN 0.236 nan 8.370 nan 0.000 0.467 432 S N 1.517 117.232 115.700 0.025 0.000 2.461 432 S HA -0.344 4.125 4.470 -0.000 0.000 0.266 432 S C 1.051 175.665 174.600 0.024 0.000 1.138 432 S CA 2.138 60.349 58.200 0.019 0.000 1.146 432 S CB -0.694 62.514 63.200 0.014 0.000 1.042 432 S HN 0.619 nan 8.310 nan 0.000 0.448 433 N N -0.035 118.685 118.700 0.032 0.000 2.214 433 N HA 0.260 5.000 4.740 -0.000 0.000 0.214 433 N C 0.058 175.606 175.510 0.063 0.000 1.132 433 N CA 0.373 53.447 53.050 0.040 0.000 0.856 433 N CB -0.310 38.196 38.487 0.032 0.000 1.020 433 N HN 0.561 nan 8.380 nan 0.000 0.509 434 C N 0.299 119.649 119.300 0.084 0.000 4.092 434 C HA -0.152 4.308 4.460 -0.000 0.000 0.297 434 C C 1.566 176.717 174.990 0.268 0.000 1.475 434 C CA 0.290 59.399 59.018 0.152 0.000 2.043 434 C CB -2.477 25.312 27.740 0.081 0.000 1.289 434 C HN 0.690 nan 8.230 nan 0.000 0.755 435 G N -0.755 108.132 108.800 0.145 0.000 2.136 435 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 435 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 435 G C -0.315 174.599 174.900 0.023 0.000 0.989 435 G CA 0.622 45.725 45.100 0.006 0.000 0.682 435 G HN 0.812 nan 8.290 nan 0.000 0.522 436 Q N -1.011 118.824 119.800 0.058 0.000 2.345 436 Q HA 0.561 4.901 4.340 -0.000 0.000 0.268 436 Q C 0.210 176.226 176.000 0.027 0.000 1.054 436 Q CA -0.682 55.162 55.803 0.068 0.000 0.835 436 Q CB 2.472 31.277 28.738 0.112 0.000 1.339 436 Q HN 0.485 nan 8.270 nan 0.000 0.447 437 C N 3.741 123.039 119.300 -0.003 0.000 2.566 437 C HA 0.338 4.798 4.460 -0.000 0.000 0.393 437 C C 0.759 175.732 174.990 -0.029 0.000 1.309 437 C CA -0.178 58.805 59.018 -0.058 0.000 1.801 437 C CB -1.247 26.411 27.740 -0.138 0.000 2.493 437 C HN 0.889 nan 8.230 nan 0.000 0.575 438 L N 5.491 126.689 121.223 -0.041 0.000 2.966 438 L HA 0.241 4.580 4.340 -0.000 0.000 0.262 438 L C 2.331 179.078 176.870 -0.204 0.000 1.165 438 L CA 0.438 55.286 54.840 0.012 0.000 0.978 438 L CB -0.589 41.580 42.059 0.184 0.000 1.337 438 L HN 0.816 nan 8.230 nan 0.000 0.563 439 A N 1.208 123.847 122.820 -0.302 0.000 1.915 439 A HA -0.345 3.974 4.320 -0.000 0.000 0.220 439 A C 2.520 179.822 177.584 -0.470 0.000 1.198 439 A CA 2.515 54.236 52.037 -0.527 0.000 0.647 439 A CB -1.280 17.216 19.000 -0.840 0.000 0.825 439 A HN 0.696 nan 8.150 nan 0.000 0.456 440 C N -1.733 117.307 119.300 -0.434 0.000 2.396 440 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 440 C C 2.301 177.186 174.990 -0.174 0.000 1.231 440 C CA 0.966 59.786 59.018 -0.329 0.000 1.775 440 C CB -2.148 25.301 27.740 -0.485 0.000 2.036 440 C HN 0.481 nan 8.230 nan 0.000 0.484 441 F N 2.649 122.617 119.950 0.031 0.000 2.074 441 F HA 0.046 4.573 4.527 -0.000 0.000 0.290 441 F C 2.961 178.820 175.800 0.099 0.000 1.118 441 F CA 1.756 59.772 58.000 0.027 0.000 1.199 441 F CB -1.749 37.246 39.000 -0.009 0.000 1.012 441 F HN 0.312 nan 8.300 nan 0.000 0.472 442 T N -3.020 111.637 114.554 0.172 0.000 3.067 442 T HA 0.395 4.745 4.350 -0.000 0.000 0.257 442 T C 1.851 176.453 174.700 -0.164 0.000 1.105 442 T CA 0.775 62.908 62.100 0.056 0.000 1.104 442 T CB -0.076 68.807 68.868 0.025 0.000 0.925 442 T HN 0.591 nan 8.240 nan 0.000 0.498 443 G N 1.503 109.970 108.800 -0.555 0.000 2.217 443 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.246 443 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.246 443 G C 0.020 174.590 174.900 -0.550 0.000 0.990 443 G CA 0.066 44.517 45.100 -1.081 0.000 0.627 443 G HN 0.647 nan 8.290 nan 0.000 0.522 444 K N 0.897 121.077 120.400 -0.367 0.000 2.268 444 K HA 0.512 4.832 4.320 -0.000 0.000 0.276 444 K C -0.674 175.802 176.600 -0.207 0.000 1.080 444 K CA -0.560 55.620 56.287 -0.178 0.000 0.910 444 K CB 0.656 33.100 32.500 -0.092 0.000 1.163 444 K HN 0.277 nan 8.250 nan 0.000 0.465 445 Y N 3.004 123.303 120.300 -0.001 0.000 2.309 445 Y HA 0.117 4.667 4.550 -0.000 0.000 0.327 445 Y C -1.138 174.788 175.900 0.044 0.000 1.172 445 Y CA -2.078 56.068 58.100 0.077 0.000 1.280 445 Y CB 0.487 39.039 38.460 0.153 0.000 1.234 445 Y HN 0.512 nan 8.280 nan 0.000 0.512 446 P HA 0.120 nan 4.420 nan 0.000 0.249 446 P C -0.662 176.687 177.300 0.081 0.000 1.593 446 P CA 0.281 63.409 63.100 0.046 0.000 0.896 446 P CB 0.224 31.890 31.700 -0.057 0.000 1.581 447 T N 0.198 114.852 114.554 0.166 0.000 2.886 447 T HA 0.171 4.521 4.350 -0.000 0.000 0.330 447 T C -1.245 173.466 174.700 0.018 0.000 1.488 447 T CA -0.730 61.450 62.100 0.132 0.000 1.054 447 T CB 2.061 71.117 68.868 0.312 0.000 1.348 447 T HN 0.080 nan 8.240 nan 0.000 0.489 448 E N 2.981 123.120 120.200 -0.102 0.000 2.289 448 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 448 E C -0.605 175.642 176.600 -0.588 0.000 1.032 448 E CA -0.490 55.725 56.400 -0.308 0.000 0.854 448 E CB 0.822 30.332 29.700 -0.317 0.000 1.046 448 E HN 0.329 nan 8.360 nan 0.000 0.409 449 I N 3.041 123.218 120.570 -0.655 0.000 2.437 449 I HA 0.260 4.430 4.170 -0.000 0.000 0.298 449 I C -0.061 175.533 176.117 -0.871 0.000 0.984 449 I CA -1.056 59.764 61.300 -0.799 0.000 1.214 449 I CB 0.366 37.866 38.000 -0.832 0.000 1.365 449 I HN 0.489 nan 8.210 nan 0.000 0.469 450 Y N 3.452 123.561 120.300 -0.318 0.000 2.458 450 Y HA 0.145 4.694 4.550 -0.000 0.000 0.322 450 Y C 1.518 177.289 175.900 -0.214 0.000 1.259 450 Y CA -0.482 57.492 58.100 -0.211 0.000 1.302 450 Y CB 0.590 38.951 38.460 -0.165 0.000 1.314 450 Y HN 0.525 nan 8.280 nan 0.000 0.509 451 Q N 0.727 120.548 119.800 0.035 0.000 2.297 451 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 451 Q C 0.372 176.360 176.000 -0.020 0.000 0.962 451 Q CA 2.081 57.873 55.803 -0.018 0.000 0.879 451 Q CB -0.623 28.116 28.738 0.002 0.000 0.947 451 Q HN 0.938 nan 8.270 nan 0.000 0.462 452 D N 0.313 120.717 120.400 0.005 0.000 2.271 452 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 452 D C -0.003 176.270 176.300 -0.045 0.000 0.967 452 D CA 0.278 54.264 54.000 -0.024 0.000 0.867 452 D CB -0.491 40.285 40.800 -0.041 0.000 0.960 452 D HN -0.047 nan 8.370 nan 0.000 0.509 453 T N 1.554 116.072 114.554 -0.060 0.000 2.800 453 T HA 0.206 4.555 4.350 -0.000 0.000 0.283 453 T C 0.474 175.107 174.700 -0.112 0.000 0.999 453 T CA 0.027 62.041 62.100 -0.143 0.000 1.176 453 T CB 0.318 68.954 68.868 -0.386 0.000 0.973 453 T HN 0.217 nan 8.240 nan 0.000 0.519 454 V N 3.037 122.931 119.914 -0.033 0.000 2.837 454 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 454 V C 0.315 176.488 176.094 0.132 0.000 1.059 454 V CA -1.354 60.960 62.300 0.024 0.000 1.004 454 V CB 1.029 32.827 31.823 -0.041 0.000 1.045 454 V HN 0.734 nan 8.190 nan 0.000 0.465 455 L N 3.611 124.892 121.223 0.096 0.000 2.456 455 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 455 L C -1.234 175.596 176.870 -0.067 0.000 1.189 455 L CA -1.107 53.768 54.840 0.059 0.000 0.846 455 L CB 1.200 43.273 42.059 0.023 0.000 1.111 455 L HN 0.550 nan 8.230 nan 0.000 0.475 456 P HA -0.261 nan 4.420 nan 0.000 0.215 456 P C 1.449 178.755 177.300 0.009 0.000 1.163 456 P CA 1.661 64.786 63.100 0.042 0.000 0.894 456 P CB -0.174 31.564 31.700 0.062 0.000 0.791 457 H N -0.985 118.109 119.070 0.040 0.000 2.426 457 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 457 H C 1.563 176.904 175.328 0.021 0.000 1.107 457 H CA 1.354 57.423 56.048 0.036 0.000 1.298 457 H CB -1.525 28.260 29.762 0.037 0.000 1.377 457 H HN -0.017 nan 8.280 nan 0.000 0.519 458 V N 1.626 121.183 119.914 -0.595 0.000 2.688 458 V HA -0.227 3.892 4.120 -0.000 0.000 0.256 458 V C 1.983 177.998 176.094 -0.132 0.000 1.084 458 V CA 1.994 64.082 62.300 -0.354 0.000 1.103 458 V CB -0.585 31.046 31.823 -0.320 0.000 0.688 458 V HN 0.397 nan 8.190 nan 0.000 0.480 459 K N 1.285 121.633 120.400 -0.086 0.000 2.668 459 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 459 K C 0.780 177.375 176.600 -0.007 0.000 1.016 459 K CA -0.097 56.167 56.287 -0.038 0.000 1.131 459 K CB -0.202 32.288 32.500 -0.017 0.000 0.891 459 K HN 0.650 nan 8.250 nan 0.000 0.499 460 E N 0.485 120.686 120.200 0.002 0.000 2.392 460 E HA 0.082 4.432 4.350 -0.000 0.000 0.259 460 E C 0.070 176.682 176.600 0.020 0.000 1.108 460 E CA 0.135 56.548 56.400 0.022 0.000 0.916 460 E CB 1.301 31.018 29.700 0.028 0.000 0.989 460 E HN 0.048 nan 8.360 nan 0.000 0.432 461 A N 3.098 125.936 122.820 0.031 0.000 1.922 461 A HA 0.228 4.548 4.320 -0.000 0.000 0.192 461 A C 0.458 178.062 177.584 0.035 0.000 2.007 461 A CA 0.130 52.187 52.037 0.033 0.000 1.054 461 A CB -0.120 18.907 19.000 0.045 0.000 1.106 461 A HN 0.360 nan 8.150 nan 0.000 0.639 462 V N 3.405 123.343 119.914 0.041 0.000 2.521 462 V HA 0.082 4.202 4.120 -0.000 0.000 0.286 462 V C 1.831 177.942 176.094 0.028 0.000 1.034 462 V CA 0.519 62.842 62.300 0.038 0.000 1.045 462 V CB 0.827 32.678 31.823 0.047 0.000 0.974 462 V HN 0.633 nan 8.190 nan 0.000 0.480 463 L N 3.649 124.886 121.223 0.024 0.000 2.013 463 L HA -0.136 4.203 4.340 -0.000 0.000 0.212 463 L C 1.563 178.442 176.870 0.016 0.000 1.073 463 L CA 2.199 57.050 54.840 0.018 0.000 0.753 463 L CB -1.170 40.900 42.059 0.017 0.000 0.890 463 L HN 0.830 nan 8.230 nan 0.000 0.432 464 T N -1.527 113.038 114.554 0.019 0.000 13.302 464 T HA -0.390 3.960 4.350 -0.000 0.000 0.419 464 T C 0.649 175.357 174.700 0.014 0.000 1.442 464 T CA 2.249 64.360 62.100 0.018 0.000 2.360 464 T CB -1.069 67.809 68.868 0.016 0.000 2.805 464 T HN 0.660 nan 8.240 nan 0.000 0.605 465 K N 0.000 120.407 120.400 0.012 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.293 56.287 0.011 0.000 0.838 465 K CB 0.000 32.506 32.500 0.010 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543