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_3 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 0.000 174.971 174.990 -0.032 0.000 1.270 1 C CA 0.000 59.022 59.018 0.006 0.000 1.963 1 C CB 0.000 27.741 27.740 0.003 0.000 2.134 2 G N -0.262 108.448 108.800 -0.150 0.000 2.733 2 G HA2 0.819 4.779 3.960 -0.000 0.000 0.297 2 G HA3 0.819 4.779 3.960 -0.000 0.000 0.297 2 G C -1.211 173.674 174.900 -0.026 0.000 1.422 2 G CA 0.048 45.117 45.100 -0.052 0.000 0.942 2 G HN 1.828 nan 8.290 nan 0.000 0.510 3 V N -0.869 119.106 119.914 0.102 0.000 2.919 3 V HA 0.951 5.071 4.120 -0.000 0.000 0.316 3 V C -1.041 175.197 176.094 0.239 0.000 1.077 3 V CA -1.344 61.073 62.300 0.195 0.000 0.977 3 V CB 1.886 33.847 31.823 0.230 0.000 1.039 3 V HN 0.919 nan 8.190 nan 0.000 0.441 4 F N 0.964 120.981 119.950 0.111 0.000 2.608 4 F HA 0.898 5.425 4.527 -0.000 0.000 0.309 4 F C 0.008 175.898 175.800 0.149 0.000 1.103 4 F CA 0.255 58.326 58.000 0.119 0.000 0.954 4 F CB 2.038 41.089 39.000 0.084 0.000 1.267 4 F HN 1.079 nan 8.300 nan 0.000 0.444 5 G N 4.752 113.287 108.800 -0.441 0.000 2.690 5 G HA2 0.676 4.636 3.960 -0.000 0.000 0.293 5 G HA3 0.676 4.636 3.960 -0.000 0.000 0.293 5 G C -2.367 172.411 174.900 -0.204 0.000 1.399 5 G CA -0.826 44.205 45.100 -0.116 0.000 0.890 5 G HN 0.905 nan 8.290 nan 0.000 0.485 6 I N 0.398 121.008 120.570 0.067 0.000 2.649 6 I HA 0.533 4.702 4.170 -0.000 0.000 0.289 6 I C -1.860 174.383 176.117 0.210 0.000 1.222 6 I CA -0.969 60.412 61.300 0.134 0.000 1.046 6 I CB 1.770 39.877 38.000 0.177 0.000 1.272 6 I HN 0.643 nan 8.210 nan 0.000 0.425 7 W N 7.578 128.961 121.300 0.137 0.000 2.587 7 W HA 0.561 5.221 4.660 -0.000 0.000 0.324 7 W C 0.378 177.004 176.519 0.179 0.000 1.040 7 W CA -0.019 57.413 57.345 0.146 0.000 1.222 7 W CB 1.981 31.517 29.460 0.127 0.000 1.381 7 W HN 0.861 nan 8.180 nan 0.000 0.483 8 G N 3.708 112.294 108.800 -0.356 0.000 2.255 8 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.239 8 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.239 8 G C -0.720 174.171 174.900 -0.016 0.000 1.083 8 G CA -0.041 44.995 45.100 -0.106 0.000 0.826 8 G HN 0.797 nan 8.290 nan 0.000 0.493 9 H N -0.476 118.531 119.070 -0.105 0.000 2.689 9 H HA 0.447 5.002 4.556 -0.000 0.000 0.346 9 H C 0.655 175.949 175.328 -0.058 0.000 1.037 9 H CA -0.610 55.414 56.048 -0.040 0.000 1.234 9 H CB 1.868 31.638 29.762 0.012 0.000 1.572 9 H HN 0.072 nan 8.280 nan 0.000 0.524 10 E N 2.466 122.514 120.200 -0.253 0.000 2.515 10 E HA -0.105 4.245 4.350 -0.000 0.000 0.201 10 E C 0.187 176.832 176.600 0.074 0.000 1.071 10 E CA 0.636 56.979 56.400 -0.095 0.000 0.880 10 E CB 0.250 29.860 29.700 -0.149 0.000 0.828 10 E HN 0.498 nan 8.360 nan 0.000 0.540 11 E N -1.855 118.572 120.200 0.379 0.000 3.575 11 E HA 0.344 4.694 4.350 -0.000 0.000 0.201 11 E C 0.629 177.348 176.600 0.200 0.000 0.999 11 E CA 0.298 56.865 56.400 0.279 0.000 1.315 11 E CB 0.044 29.934 29.700 0.317 0.000 1.146 11 E HN 0.141 nan 8.360 nan 0.000 0.453 12 A N 0.748 123.664 122.820 0.159 0.000 1.902 12 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 12 A C -0.570 177.055 177.584 0.067 0.000 1.181 12 A CA 1.052 53.148 52.037 0.098 0.000 0.623 12 A CB -0.955 18.076 19.000 0.052 0.000 0.818 12 A HN 0.271 nan 8.150 nan 0.000 0.443 13 P HA -0.133 nan 4.420 nan 0.000 0.217 13 P C 1.221 178.483 177.300 -0.064 0.000 1.150 13 P CA 1.351 64.449 63.100 -0.003 0.000 0.832 13 P CB -0.016 31.681 31.700 -0.005 0.000 0.787 14 Q N -0.870 118.902 119.800 -0.046 0.000 2.046 14 Q HA -0.091 4.248 4.340 -0.000 0.000 0.200 14 Q C 2.109 178.119 176.000 0.016 0.000 0.975 14 Q CA 1.245 57.005 55.803 -0.072 0.000 0.836 14 Q CB -0.970 27.788 28.738 0.033 0.000 0.896 14 Q HN 0.172 nan 8.270 nan 0.000 0.428 15 I N 0.484 121.093 120.570 0.064 0.000 2.264 15 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 15 I C 1.814 177.930 176.117 -0.002 0.000 1.111 15 I CA 1.552 62.900 61.300 0.080 0.000 1.382 15 I CB -1.497 36.499 38.000 -0.007 0.000 1.060 15 I HN 0.242 nan 8.210 nan 0.000 0.418 16 T N 0.256 114.833 114.554 0.038 0.000 2.867 16 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 16 T C 1.826 176.406 174.700 -0.200 0.000 1.057 16 T CA 1.182 63.289 62.100 0.013 0.000 1.136 16 T CB -0.493 68.472 68.868 0.162 0.000 0.874 16 T HN 0.387 nan 8.240 nan 0.000 0.466 17 Y N 0.695 120.754 120.300 -0.401 0.000 2.200 17 Y HA -0.166 4.383 4.550 -0.000 0.000 0.290 17 Y C 1.933 177.513 175.900 -0.533 0.000 1.137 17 Y CA 1.084 58.849 58.100 -0.559 0.000 1.163 17 Y CB -0.353 37.657 38.460 -0.750 0.000 0.988 17 Y HN 0.175 nan 8.280 nan 0.000 0.518 18 Y N 0.036 120.232 120.300 -0.173 0.000 2.263 18 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 18 Y C 2.670 178.352 175.900 -0.364 0.000 1.130 18 Y CA 1.029 58.975 58.100 -0.257 0.000 1.179 18 Y CB -1.112 37.279 38.460 -0.115 0.000 0.998 18 Y HN 0.199 nan 8.280 nan 0.000 0.532 19 G N 0.028 108.516 108.800 -0.520 0.000 2.433 19 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 19 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 19 G C 1.722 176.284 174.900 -0.562 0.000 1.186 19 G CA 1.054 45.539 45.100 -1.025 0.000 0.779 19 G HN 0.351 nan 8.290 nan 0.000 0.543 20 L N -0.646 120.322 121.223 -0.425 0.000 2.093 20 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 20 L C 2.666 179.417 176.870 -0.198 0.000 1.085 20 L CA 1.129 55.840 54.840 -0.215 0.000 0.755 20 L CB -0.523 41.445 42.059 -0.151 0.000 0.904 20 L HN 0.307 nan 8.230 nan 0.000 0.435 21 H N 0.172 119.029 119.070 -0.355 0.000 2.387 21 H HA -0.140 4.415 4.556 -0.000 0.000 0.299 21 H C 2.319 177.552 175.328 -0.157 0.000 1.090 21 H CA 1.797 57.669 56.048 -0.292 0.000 1.332 21 H CB 0.310 29.800 29.762 -0.453 0.000 1.386 21 H HN 0.397 nan 8.280 nan 0.000 0.516 22 S N 0.059 115.720 115.700 -0.065 0.000 2.515 22 S HA -0.019 4.450 4.470 -0.000 0.000 0.231 22 S C 1.872 176.478 174.600 0.011 0.000 0.987 22 S CA 0.416 58.593 58.200 -0.037 0.000 0.936 22 S CB -0.251 62.932 63.200 -0.027 0.000 0.766 22 S HN 0.345 nan 8.310 nan 0.000 0.528 23 L N 0.625 121.812 121.223 -0.061 0.000 2.700 23 L HA 0.308 4.647 4.340 -0.000 0.000 0.234 23 L C 2.264 178.957 176.870 -0.296 0.000 1.156 23 L CA -0.026 54.737 54.840 -0.129 0.000 0.946 23 L CB -0.153 41.840 42.059 -0.110 0.000 1.216 23 L HN 0.269 nan 8.230 nan 0.000 0.493 24 Q N 0.646 120.325 119.800 -0.202 0.000 2.291 24 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 24 Q C 2.208 178.080 176.000 -0.214 0.000 0.976 24 Q CA 1.585 57.248 55.803 -0.232 0.000 0.875 24 Q CB -0.022 28.517 28.738 -0.331 0.000 0.927 24 Q HN 0.634 nan 8.270 nan 0.000 0.450 25 H N -1.373 117.557 119.070 -0.232 0.000 2.524 25 H HA 0.064 4.619 4.556 -0.000 0.000 0.282 25 H C 1.197 176.357 175.328 -0.281 0.000 1.016 25 H CA 0.969 56.865 56.048 -0.253 0.000 1.270 25 H CB -0.137 29.437 29.762 -0.312 0.000 1.394 25 H HN 0.267 nan 8.280 nan 0.000 0.568 26 R N 0.873 120.884 120.500 -0.815 0.000 2.235 26 R HA 0.142 4.481 4.340 -0.000 0.000 0.213 26 R C 0.297 176.622 176.300 0.041 0.000 1.059 26 R CA 0.786 56.611 56.100 -0.458 0.000 0.997 26 R CB 0.458 30.527 30.300 -0.386 0.000 0.884 26 R HN 0.452 nan 8.270 nan 0.000 0.462 27 G N 0.139 108.921 108.800 -0.030 0.000 2.405 27 G HA2 0.128 4.088 3.960 -0.000 0.000 0.312 27 G HA3 0.128 4.088 3.960 -0.000 0.000 0.312 27 G C -0.780 174.094 174.900 -0.043 0.000 1.579 27 G CA -0.646 44.491 45.100 0.061 0.000 0.933 27 G HN -0.017 nan 8.290 nan 0.000 0.628 28 Q N 0.233 119.995 119.800 -0.064 0.000 2.179 28 Q HA 0.233 4.573 4.340 -0.000 0.000 0.213 28 Q C 1.176 177.147 176.000 -0.048 0.000 0.833 28 Q CA 0.070 55.835 55.803 -0.063 0.000 0.990 28 Q CB 1.044 29.741 28.738 -0.068 0.000 1.132 28 Q HN 0.554 nan 8.270 nan 0.000 0.493 29 E N -0.266 119.907 120.200 -0.045 0.000 2.472 29 E HA 0.253 4.603 4.350 -0.000 0.000 0.196 29 E C 0.236 176.840 176.600 0.006 0.000 1.033 29 E CA 0.264 56.649 56.400 -0.025 0.000 0.886 29 E CB 1.171 30.849 29.700 -0.037 0.000 0.944 29 E HN 0.272 nan 8.360 nan 0.000 0.492 30 G N -0.841 107.967 108.800 0.013 0.000 2.489 30 G HA2 0.670 4.629 3.960 -0.000 0.000 0.291 30 G HA3 0.670 4.629 3.960 -0.000 0.000 0.291 30 G C -1.627 173.292 174.900 0.031 0.000 1.487 30 G CA -0.186 44.924 45.100 0.017 0.000 0.795 30 G HN 0.135 nan 8.290 nan 0.000 0.513 31 A N -1.169 121.679 122.820 0.047 0.000 2.587 31 A HA 1.070 5.390 4.320 -0.000 0.000 0.293 31 A C -0.138 177.534 177.584 0.147 0.000 1.087 31 A CA -0.000 52.108 52.037 0.118 0.000 0.692 31 A CB 1.891 21.016 19.000 0.207 0.000 1.291 31 A HN 2.412 nan 8.150 nan 0.000 0.407 32 G N -0.489 108.450 108.800 0.232 0.000 2.673 32 G HA2 0.613 4.573 3.960 -0.000 0.000 0.292 32 G HA3 0.613 4.573 3.960 -0.000 0.000 0.292 32 G C -1.721 173.357 174.900 0.297 0.000 1.450 32 G CA -0.425 44.821 45.100 0.243 0.000 0.837 32 G HN 0.781 nan 8.290 nan 0.000 0.505 33 I N 0.405 121.172 120.570 0.329 0.000 2.619 33 I HA 0.488 4.657 4.170 -0.000 0.000 0.292 33 I C -0.821 175.418 176.117 0.203 0.000 1.100 33 I CA -1.105 60.336 61.300 0.235 0.000 1.043 33 I CB 2.574 40.676 38.000 0.169 0.000 1.239 33 I HN 0.231 nan 8.210 nan 0.000 0.420 34 V N 4.605 124.616 119.914 0.161 0.000 2.588 34 V HA 0.822 4.942 4.120 -0.000 0.000 0.304 34 V C -0.190 175.980 176.094 0.126 0.000 1.042 34 V CA -0.388 61.993 62.300 0.135 0.000 0.877 34 V CB 1.747 33.641 31.823 0.117 0.000 0.996 34 V HN 0.843 nan 8.190 nan 0.000 0.425 35 A N 3.023 125.906 122.820 0.105 0.000 2.423 35 A HA 0.950 5.270 4.320 -0.000 0.000 0.304 35 A C -0.450 177.168 177.584 0.056 0.000 1.104 35 A CA -0.621 51.459 52.037 0.073 0.000 0.757 35 A CB 2.296 21.331 19.000 0.057 0.000 1.313 35 A HN 0.736 nan 8.150 nan 0.000 0.423 36 T N -0.448 114.113 114.554 0.013 0.000 2.906 36 T HA 0.524 4.874 4.350 -0.000 0.000 0.295 36 T C -1.057 173.608 174.700 -0.058 0.000 1.061 36 T CA -0.020 62.090 62.100 0.016 0.000 1.000 36 T CB 1.363 70.284 68.868 0.088 0.000 1.103 36 T HN 0.722 nan 8.240 nan 0.000 0.486 37 D N 1.206 121.597 120.400 -0.016 0.000 2.501 37 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 37 D C 1.373 177.680 176.300 0.011 0.000 1.202 37 D CA 0.470 54.453 54.000 -0.029 0.000 0.829 37 D CB -0.143 40.653 40.800 -0.006 0.000 1.023 37 D HN 1.022 nan 8.370 nan 0.000 0.499 38 G N 0.795 109.633 108.800 0.063 0.000 2.363 38 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.238 38 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.238 38 G C 1.075 176.030 174.900 0.093 0.000 1.062 38 G CA 0.587 45.758 45.100 0.118 0.000 0.629 38 G HN 0.407 nan 8.290 nan 0.000 0.514 39 E N 0.720 120.959 120.200 0.064 0.000 2.052 39 E HA 0.307 4.656 4.350 -0.000 0.000 0.192 39 E C 1.279 177.913 176.600 0.056 0.000 0.958 39 E CA 1.466 57.899 56.400 0.055 0.000 0.835 39 E CB 0.086 29.810 29.700 0.040 0.000 0.811 39 E HN 0.723 nan 8.360 nan 0.000 0.462 40 K N -0.214 120.218 120.400 0.052 0.000 2.482 40 K HA 0.464 4.784 4.320 -0.000 0.000 0.257 40 K C -0.907 175.728 176.600 0.058 0.000 0.969 40 K CA -0.652 55.666 56.287 0.052 0.000 0.842 40 K CB 1.547 34.072 32.500 0.042 0.000 1.359 40 K HN -0.077 nan 8.250 nan 0.000 0.441 41 L N 1.359 122.620 121.223 0.063 0.000 2.307 41 L HA 0.401 4.741 4.340 -0.000 0.000 0.282 41 L C 0.068 176.976 176.870 0.063 0.000 1.051 41 L CA -0.690 54.192 54.840 0.069 0.000 0.804 41 L CB 1.633 43.739 42.059 0.077 0.000 1.197 41 L HN 0.784 nan 8.230 nan 0.000 0.431 42 T N 1.929 116.525 114.554 0.069 0.000 2.908 42 T HA 0.849 5.199 4.350 -0.000 0.000 0.290 42 T C -0.944 173.816 174.700 0.100 0.000 1.034 42 T CA -0.326 61.819 62.100 0.075 0.000 1.010 42 T CB 1.753 70.660 68.868 0.065 0.000 1.068 42 T HN 0.800 nan 8.240 nan 0.000 0.481 43 A N 2.903 125.797 122.820 0.122 0.000 2.604 43 A HA 0.689 5.009 4.320 -0.000 0.000 0.295 43 A C -1.610 176.103 177.584 0.214 0.000 1.067 43 A CA -0.643 51.485 52.037 0.152 0.000 0.683 43 A CB 1.417 20.477 19.000 0.101 0.000 1.281 43 A HN 0.966 nan 8.150 nan 0.000 0.407 44 H N 1.080 120.247 119.070 0.162 0.000 2.974 44 H HA 0.662 5.217 4.556 -0.000 0.000 0.366 44 H C -1.269 174.096 175.328 0.061 0.000 1.155 44 H CA -0.210 55.889 56.048 0.085 0.000 1.186 44 H CB 1.739 31.544 29.762 0.072 0.000 1.799 44 H HN 0.969 nan 8.280 nan 0.000 0.541 45 K N 2.802 122.754 120.400 -0.747 0.000 2.615 45 K HA 0.668 4.988 4.320 -0.000 0.000 0.291 45 K C -1.483 174.814 176.600 -0.505 0.000 1.017 45 K CA -0.732 55.265 56.287 -0.483 0.000 0.882 45 K CB 2.310 34.660 32.500 -0.249 0.000 1.522 45 K HN 0.732 nan 8.250 nan 0.000 0.412 46 G N 0.432 109.052 108.800 -0.300 0.000 2.322 46 G HA2 0.213 4.173 3.960 -0.000 0.000 0.295 46 G HA3 0.213 4.173 3.960 -0.000 0.000 0.295 46 G C -1.872 173.000 174.900 -0.046 0.000 1.369 46 G CA -0.925 44.123 45.100 -0.086 0.000 0.821 46 G HN 0.502 nan 8.290 nan 0.000 0.536 47 Q N -0.604 119.223 119.800 0.045 0.000 2.260 47 Q HA 0.578 4.918 4.340 -0.000 0.000 0.242 47 Q C 0.545 176.563 176.000 0.030 0.000 0.932 47 Q CA 0.585 56.409 55.803 0.035 0.000 0.891 47 Q CB 1.596 30.372 28.738 0.063 0.000 1.222 47 Q HN 1.911 nan 8.270 nan 0.000 0.453 48 G N 0.149 108.964 108.800 0.025 0.000 2.434 48 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.671 48 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.671 48 G C -1.389 173.532 174.900 0.035 0.000 1.280 48 G CA -1.142 43.975 45.100 0.029 0.000 0.975 48 G HN 0.433 nan 8.290 nan 0.000 0.510 49 L N 0.782 122.029 121.223 0.041 0.000 2.499 49 L HA 0.261 4.600 4.340 -0.000 0.000 0.281 49 L C 2.372 179.306 176.870 0.107 0.000 1.234 49 L CA -0.012 54.856 54.840 0.046 0.000 0.839 49 L CB 0.286 42.374 42.059 0.047 0.000 1.104 49 L HN 0.556 nan 8.230 nan 0.000 0.500 50 I N 0.617 121.262 120.570 0.125 0.000 2.163 50 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 50 I C 2.143 178.489 176.117 0.381 0.000 1.085 50 I CA 2.008 63.461 61.300 0.255 0.000 1.347 50 I CB -1.652 36.438 38.000 0.149 0.000 1.044 50 I HN 0.882 nan 8.210 nan 0.000 0.408 51 T N -1.528 113.208 114.554 0.303 0.000 2.915 51 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 51 T C 1.640 176.474 174.700 0.224 0.000 1.071 51 T CA 0.955 63.234 62.100 0.299 0.000 1.132 51 T CB -0.326 68.692 68.868 0.251 0.000 0.878 51 T HN 0.422 nan 8.240 nan 0.000 0.479 52 E N 0.815 121.118 120.200 0.171 0.000 2.046 52 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 52 E C 2.403 179.073 176.600 0.116 0.000 0.982 52 E CA 0.989 57.461 56.400 0.120 0.000 0.800 52 E CB -0.196 29.556 29.700 0.087 0.000 0.756 52 E HN 0.353 nan 8.360 nan 0.000 0.449 53 V N 0.546 120.534 119.914 0.124 0.000 2.427 53 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 53 V C 0.817 176.868 176.094 -0.072 0.000 1.051 53 V CA 1.307 63.602 62.300 -0.007 0.000 1.048 53 V CB -0.300 31.468 31.823 -0.091 0.000 0.666 53 V HN 0.138 nan 8.190 nan 0.000 0.456 54 F N 0.501 120.573 119.950 0.203 0.000 2.434 54 F HA 0.404 4.931 4.527 -0.000 0.000 0.316 54 F C 1.449 177.295 175.800 0.076 0.000 1.222 54 F CA -0.779 57.310 58.000 0.148 0.000 1.207 54 F CB 0.295 39.378 39.000 0.138 0.000 1.466 54 F HN -0.070 nan 8.300 nan 0.000 0.545 55 Q N 0.664 120.556 119.800 0.153 0.000 2.197 55 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 55 Q C 0.368 176.406 176.000 0.064 0.000 0.993 55 Q CA 1.379 57.240 55.803 0.097 0.000 0.883 55 Q CB -0.305 28.465 28.738 0.053 0.000 0.916 55 Q HN 0.694 nan 8.270 nan 0.000 0.418 56 N N -3.682 115.046 118.700 0.046 0.000 4.813 56 N HA -0.067 4.673 4.740 -0.000 0.000 0.370 56 N C 0.207 175.706 175.510 -0.017 0.000 1.991 56 N CA 1.759 54.812 53.050 0.004 0.000 2.676 56 N CB -0.925 37.543 38.487 -0.031 0.000 0.455 56 N HN 0.276 nan 8.380 nan 0.000 0.624 57 G N 0.780 109.561 108.800 -0.032 0.000 2.391 57 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.204 57 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.204 57 G C 0.664 175.527 174.900 -0.062 0.000 1.012 57 G CA 0.752 45.826 45.100 -0.043 0.000 0.651 57 G HN 0.583 nan 8.290 nan 0.000 0.494 58 E N -0.169 119.984 120.200 -0.079 0.000 2.170 58 E HA 0.233 4.583 4.350 -0.000 0.000 0.191 58 E C 2.303 178.930 176.600 0.046 0.000 0.981 58 E CA 0.772 57.089 56.400 -0.138 0.000 0.830 58 E CB 0.064 29.536 29.700 -0.380 0.000 0.775 58 E HN 0.328 nan 8.360 nan 0.000 0.470 59 L N 1.058 122.350 121.223 0.114 0.000 2.275 59 L HA -0.085 4.254 4.340 -0.000 0.000 0.215 59 L C 1.805 178.682 176.870 0.011 0.000 1.119 59 L CA 1.399 56.283 54.840 0.072 0.000 0.790 59 L CB -0.215 41.749 42.059 -0.159 0.000 0.919 59 L HN -0.014 nan 8.230 nan 0.000 0.443 60 S N -1.658 114.035 115.700 -0.010 0.000 2.603 60 S HA -0.026 4.443 4.470 -0.000 0.000 0.229 60 S C 1.662 176.264 174.600 0.002 0.000 0.972 60 S CA 0.305 58.498 58.200 -0.012 0.000 0.935 60 S CB -0.245 62.941 63.200 -0.022 0.000 0.769 60 S HN 0.348 nan 8.310 nan 0.000 0.536 61 K N 1.115 121.523 120.400 0.014 0.000 2.244 61 K HA 0.267 4.587 4.320 -0.000 0.000 0.200 61 K C 0.329 176.960 176.600 0.051 0.000 1.052 61 K CA 0.243 56.542 56.287 0.022 0.000 0.980 61 K CB -0.206 32.297 32.500 0.004 0.000 0.838 61 K HN 0.263 nan 8.250 nan 0.000 0.481 62 V N 3.613 123.577 119.914 0.084 0.000 2.389 62 V HA 0.148 4.268 4.120 -0.000 0.000 0.264 62 V C -0.005 176.124 176.094 0.058 0.000 1.049 62 V CA -0.155 62.207 62.300 0.103 0.000 0.932 62 V CB 0.388 32.322 31.823 0.184 0.000 1.011 62 V HN 0.103 nan 8.190 nan 0.000 0.475 63 K N 3.231 123.657 120.400 0.044 0.000 2.426 63 K HA 0.882 5.202 4.320 -0.000 0.000 0.251 63 K C -0.019 176.588 176.600 0.011 0.000 0.941 63 K CA -0.607 55.694 56.287 0.023 0.000 0.808 63 K CB 2.666 35.176 32.500 0.017 0.000 1.265 63 K HN 0.884 nan 8.250 nan 0.000 0.432 64 G N 0.836 109.631 108.800 -0.008 0.000 2.337 64 G HA2 0.032 3.992 3.960 -0.000 0.000 0.298 64 G HA3 0.032 3.992 3.960 -0.000 0.000 0.298 64 G C -0.784 174.062 174.900 -0.091 0.000 1.335 64 G CA -0.612 44.460 45.100 -0.047 0.000 0.875 64 G HN 0.470 nan 8.290 nan 0.000 0.579 65 K N -0.266 120.015 120.400 -0.198 0.000 2.355 65 K HA 0.348 4.668 4.320 -0.000 0.000 0.198 65 K C 0.688 176.985 176.600 -0.505 0.000 1.039 65 K CA 0.865 56.987 56.287 -0.274 0.000 1.075 65 K CB 0.987 33.315 32.500 -0.288 0.000 0.870 65 K HN 1.138 nan 8.250 nan 0.000 0.540 66 G N 0.214 108.657 108.800 -0.595 0.000 2.498 66 G HA2 0.713 4.673 3.960 -0.000 0.000 0.312 66 G HA3 0.713 4.673 3.960 -0.000 0.000 0.312 66 G C -1.504 173.327 174.900 -0.115 0.000 1.230 66 G CA -0.479 44.270 45.100 -0.584 0.000 0.968 66 G HN 0.376 nan 8.290 nan 0.000 0.481 67 A N 0.280 123.141 122.820 0.069 0.000 2.582 67 A HA 0.668 4.987 4.320 -0.000 0.000 0.297 67 A C -0.941 176.754 177.584 0.185 0.000 1.059 67 A CA -0.541 51.571 52.037 0.125 0.000 0.705 67 A CB 0.832 19.901 19.000 0.115 0.000 1.279 67 A HN 1.668 nan 8.150 nan 0.000 0.404 68 I N -0.643 120.042 120.570 0.191 0.000 2.730 68 I HA 0.979 5.149 4.170 -0.000 0.000 0.298 68 I C 0.105 176.353 176.117 0.219 0.000 1.089 68 I CA -0.915 60.509 61.300 0.207 0.000 1.041 68 I CB 2.477 40.593 38.000 0.194 0.000 1.235 68 I HN 0.918 nan 8.210 nan 0.000 0.423 69 G N 2.482 111.435 108.800 0.254 0.000 2.660 69 G HA2 0.530 4.490 3.960 -0.000 0.000 0.294 69 G HA3 0.530 4.490 3.960 -0.000 0.000 0.294 69 G C -2.165 172.897 174.900 0.269 0.000 1.369 69 G CA -0.470 44.775 45.100 0.241 0.000 0.912 69 G HN 0.905 nan 8.290 nan 0.000 0.479 70 H N 0.014 119.162 119.070 0.129 0.000 2.851 70 H HA 0.643 5.199 4.556 -0.000 0.000 0.372 70 H C -1.697 173.679 175.328 0.080 0.000 1.158 70 H CA -0.553 55.557 56.048 0.103 0.000 1.159 70 H CB 2.677 32.496 29.762 0.095 0.000 1.757 70 H HN 0.379 nan 8.280 nan 0.000 0.546 71 V N 5.271 124.903 119.914 -0.469 0.000 2.495 71 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 71 V C -0.123 175.707 176.094 -0.440 0.000 1.031 71 V CA -0.590 61.534 62.300 -0.293 0.000 0.871 71 V CB 1.865 33.569 31.823 -0.198 0.000 0.988 71 V HN 0.722 nan 8.190 nan 0.000 0.432 72 R N 3.444 123.851 120.500 -0.156 0.000 2.803 72 R HA 0.518 4.858 4.340 -0.000 0.000 0.276 72 R C -2.006 174.364 176.300 0.116 0.000 0.978 72 R CA -0.547 55.564 56.100 0.018 0.000 0.939 72 R CB 2.058 32.452 30.300 0.156 0.000 1.179 72 R HN 0.671 nan 8.270 nan 0.000 0.472 73 Y N 1.312 121.632 120.300 0.034 0.000 2.468 73 Y HA 0.674 5.223 4.550 -0.000 0.000 0.342 73 Y C -1.469 174.466 175.900 0.058 0.000 1.021 73 Y CA -0.518 57.613 58.100 0.052 0.000 1.079 73 Y CB 2.203 40.709 38.460 0.077 0.000 1.226 73 Y HN 0.732 nan 8.280 nan 0.000 0.460 74 A N 3.013 125.853 122.820 0.033 0.000 2.488 74 A HA 0.426 4.746 4.320 -0.000 0.000 0.295 74 A C 0.388 177.954 177.584 -0.029 0.000 1.045 74 A CA -0.067 52.043 52.037 0.122 0.000 0.703 74 A CB 0.614 19.648 19.000 0.057 0.000 1.271 74 A HN 0.915 nan 8.150 nan 0.000 0.400 75 T N 0.060 114.688 114.554 0.124 0.000 2.732 75 T HA 0.184 4.534 4.350 -0.000 0.000 0.261 75 T C 1.113 175.776 174.700 -0.061 0.000 1.040 75 T CA 1.306 63.456 62.100 0.083 0.000 1.145 75 T CB -0.362 68.598 68.868 0.153 0.000 0.866 75 T HN 1.745 nan 8.240 nan 0.000 0.427 76 A N 2.136 124.913 122.820 -0.072 0.000 2.437 76 A HA 0.604 4.924 4.320 -0.000 0.000 0.303 76 A C 0.953 178.517 177.584 -0.033 0.000 1.324 76 A CA -0.327 51.669 52.037 -0.069 0.000 0.983 76 A CB -0.687 18.286 19.000 -0.046 0.000 1.142 76 A HN 0.642 nan 8.150 nan 0.000 0.541 77 G N 1.471 110.245 108.800 -0.044 0.000 2.272 77 G HA2 0.477 4.437 3.960 -0.000 0.000 0.274 77 G HA3 0.477 4.437 3.960 -0.000 0.000 0.274 77 G C 0.814 175.708 174.900 -0.011 0.000 1.136 77 G CA 0.729 45.804 45.100 -0.041 0.000 1.098 77 G HN 1.777 nan 8.290 nan 0.000 0.425 78 G N 1.379 110.181 108.800 0.003 0.000 1.924 78 G HA2 0.426 4.386 3.960 -0.000 0.000 0.077 78 G HA3 0.426 4.386 3.960 -0.000 0.000 0.077 78 G C 1.242 176.163 174.900 0.035 0.000 1.448 78 G CA 1.186 46.298 45.100 0.021 0.000 1.087 78 G HN 2.127 nan 8.290 nan 0.000 0.304 79 G N -0.106 108.717 108.800 0.038 0.000 2.779 79 G HA2 0.413 4.373 3.960 -0.000 0.000 0.230 79 G HA3 0.413 4.373 3.960 -0.000 0.000 0.230 79 G C 1.819 176.754 174.900 0.057 0.000 1.243 79 G CA 1.449 46.579 45.100 0.050 0.000 0.769 79 G HN 2.961 nan 8.290 nan 0.000 0.516 80 G N -2.404 106.436 108.800 0.067 0.000 2.627 80 G HA2 0.329 4.288 3.960 -0.000 0.000 0.680 80 G HA3 0.329 4.288 3.960 -0.000 0.000 0.680 80 G C -0.040 174.933 174.900 0.120 0.000 1.341 80 G CA 0.536 45.693 45.100 0.095 0.000 0.835 80 G HN 1.628 nan 8.290 nan 0.000 0.643 81 Y N 1.163 121.472 120.300 0.014 0.000 2.139 81 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 81 Y C 2.529 178.435 175.900 0.010 0.000 1.179 81 Y CA 3.117 61.220 58.100 0.005 0.000 1.161 81 Y CB 0.024 38.481 38.460 -0.005 0.000 0.970 81 Y HN 0.778 nan 8.280 nan 0.000 0.511 82 E N 0.109 120.430 120.200 0.202 0.000 2.219 82 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 82 E C 1.426 178.028 176.600 0.004 0.000 0.998 82 E CA 1.632 58.097 56.400 0.108 0.000 0.818 82 E CB -0.363 29.415 29.700 0.130 0.000 0.741 82 E HN 0.509 nan 8.360 nan 0.000 0.477 83 N N 0.180 118.882 118.700 0.004 0.000 2.336 83 N HA 0.039 4.779 4.740 -0.000 0.000 0.189 83 N C -0.439 175.061 175.510 -0.017 0.000 1.113 83 N CA 0.084 53.143 53.050 0.015 0.000 0.858 83 N CB 0.616 39.133 38.487 0.050 0.000 0.970 83 N HN 0.013 nan 8.380 nan 0.000 0.471 84 V N 2.124 121.974 119.914 -0.106 0.000 2.572 84 V HA 0.044 4.163 4.120 -0.000 0.000 0.291 84 V C 0.519 176.543 176.094 -0.117 0.000 1.039 84 V CA 0.124 62.355 62.300 -0.115 0.000 1.055 84 V CB 1.004 32.660 31.823 -0.279 0.000 0.969 84 V HN 0.143 nan 8.190 nan 0.000 0.482 85 Q N 5.094 124.891 119.800 -0.005 0.000 2.333 85 Q HA 0.454 4.794 4.340 -0.000 0.000 0.266 85 Q C -2.561 173.470 176.000 0.051 0.000 1.053 85 Q CA -2.026 53.751 55.803 -0.044 0.000 0.890 85 Q CB 1.460 30.046 28.738 -0.254 0.000 1.337 85 Q HN 0.456 nan 8.270 nan 0.000 0.474 86 P HA -0.016 nan 4.420 nan 0.000 0.269 86 P C -1.111 176.168 177.300 -0.034 0.000 1.209 86 P CA -0.037 63.080 63.100 0.027 0.000 0.776 86 P CB 0.434 32.185 31.700 0.085 0.000 0.876 87 L N 3.336 124.543 121.223 -0.027 0.000 2.305 87 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 87 L C 0.027 176.734 176.870 -0.272 0.000 1.085 87 L CA 0.240 54.981 54.840 -0.165 0.000 0.813 87 L CB 0.251 42.277 42.059 -0.054 0.000 1.157 87 L HN 0.283 nan 8.230 nan 0.000 0.436 88 L N 3.877 124.829 121.223 -0.451 0.000 2.333 88 L HA 0.547 4.887 4.340 -0.000 0.000 0.280 88 L C -1.262 175.242 176.870 -0.611 0.000 1.004 88 L CA -0.412 54.244 54.840 -0.308 0.000 0.820 88 L CB 1.140 43.117 42.059 -0.136 0.000 1.247 88 L HN 0.400 nan 8.230 nan 0.000 0.416 89 F N 3.503 123.460 119.950 0.011 0.000 2.508 89 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 89 F C 0.135 175.931 175.800 -0.007 0.000 1.090 89 F CA -0.753 57.241 58.000 -0.010 0.000 0.945 89 F CB 1.624 40.598 39.000 -0.042 0.000 1.156 89 F HN 0.269 nan 8.300 nan 0.000 0.463 90 R N 1.104 121.681 120.500 0.129 0.000 2.807 90 R HA 0.776 5.116 4.340 -0.000 0.000 0.276 90 R C -1.299 175.038 176.300 0.062 0.000 0.979 90 R CA -0.945 55.199 56.100 0.074 0.000 0.928 90 R CB 2.184 32.507 30.300 0.039 0.000 1.191 90 R HN 0.759 nan 8.270 nan 0.000 0.471 91 S N 0.483 116.209 115.700 0.042 0.000 2.592 91 S HA 0.168 4.638 4.470 -0.000 0.000 0.275 91 S C -1.033 173.580 174.600 0.021 0.000 1.169 91 S CA -0.968 57.246 58.200 0.024 0.000 0.958 91 S CB 2.225 65.432 63.200 0.011 0.000 1.095 91 S HN 0.420 nan 8.310 nan 0.000 0.471 92 Q N 1.949 121.758 119.800 0.016 0.000 2.340 92 Q HA 0.429 4.769 4.340 -0.000 0.000 0.249 92 Q C 0.416 176.423 176.000 0.011 0.000 0.957 92 Q CA 1.024 56.836 55.803 0.015 0.000 0.882 92 Q CB 0.353 29.099 28.738 0.013 0.000 1.235 92 Q HN 0.986 nan 8.270 nan 0.000 0.439 93 N N 2.305 121.012 118.700 0.013 0.000 2.740 93 N HA -0.269 4.471 4.740 -0.000 0.000 0.248 93 N C -0.919 174.595 175.510 0.008 0.000 1.062 93 N CA 1.384 54.441 53.050 0.010 0.000 0.704 93 N CB -1.331 37.160 38.487 0.007 0.000 0.968 93 N HN 0.821 nan 8.380 nan 0.000 0.547 94 N N -1.589 117.118 118.700 0.011 0.000 2.179 94 N HA 0.188 4.928 4.740 -0.000 0.000 0.315 94 N C -0.181 175.337 175.510 0.013 0.000 1.141 94 N CA 1.254 54.308 53.050 0.007 0.000 0.892 94 N CB 0.180 38.666 38.487 -0.003 0.000 1.942 94 N HN 0.912 nan 8.380 nan 0.000 0.827 95 G N -0.422 108.392 108.800 0.023 0.000 2.497 95 G HA2 0.097 4.057 3.960 -0.000 0.000 0.686 95 G HA3 0.097 4.057 3.960 -0.000 0.000 0.686 95 G C -1.283 173.645 174.900 0.047 0.000 1.288 95 G CA -0.275 44.845 45.100 0.034 0.000 0.899 95 G HN 0.264 nan 8.290 nan 0.000 0.608 96 S N -0.850 114.886 115.700 0.060 0.000 2.608 96 S HA 0.813 5.283 4.470 -0.000 0.000 0.291 96 S C -0.463 174.192 174.600 0.091 0.000 1.146 96 S CA -0.534 57.713 58.200 0.078 0.000 1.043 96 S CB 1.769 65.012 63.200 0.072 0.000 1.037 96 S HN 1.228 nan 8.310 nan 0.000 0.520 97 L N 1.985 123.285 121.223 0.129 0.000 2.436 97 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 97 L C -0.959 176.022 176.870 0.185 0.000 0.974 97 L CA -0.272 54.654 54.840 0.143 0.000 0.826 97 L CB 1.505 43.648 42.059 0.141 0.000 1.291 97 L HN 0.784 nan 8.230 nan 0.000 0.406 98 A N 4.949 127.860 122.820 0.151 0.000 2.343 98 A HA 0.902 5.221 4.320 -0.000 0.000 0.316 98 A C -1.801 175.877 177.584 0.158 0.000 1.104 98 A CA -0.400 51.719 52.037 0.137 0.000 0.768 98 A CB 1.136 20.206 19.000 0.118 0.000 1.213 98 A HN 0.525 nan 8.150 nan 0.000 0.456 99 L N 1.200 122.528 121.223 0.174 0.000 2.431 99 L HA 0.812 5.152 4.340 -0.000 0.000 0.266 99 L C 0.105 177.076 176.870 0.170 0.000 0.978 99 L CA -0.195 54.762 54.840 0.194 0.000 0.822 99 L CB 2.028 44.223 42.059 0.227 0.000 1.310 99 L HN 0.877 nan 8.230 nan 0.000 0.409 100 A N 1.363 124.299 122.820 0.194 0.000 2.371 100 A HA 0.736 5.056 4.320 -0.000 0.000 0.311 100 A C -1.460 176.235 177.584 0.184 0.000 1.068 100 A CA -0.442 51.652 52.037 0.095 0.000 0.744 100 A CB 1.148 20.252 19.000 0.174 0.000 1.239 100 A HN 0.842 nan 8.150 nan 0.000 0.435 101 H N 2.248 121.263 119.070 -0.092 0.000 2.690 101 H HA 0.582 5.138 4.556 -0.000 0.000 0.368 101 H C -1.674 173.650 175.328 -0.007 0.000 1.150 101 H CA -0.736 55.223 56.048 -0.148 0.000 1.174 101 H CB 1.787 31.388 29.762 -0.268 0.000 1.684 101 H HN 0.637 nan 8.280 nan 0.000 0.538 102 N N 2.815 121.352 118.700 -0.271 0.000 2.504 102 N HA 0.458 5.198 4.740 -0.000 0.000 0.280 102 N C -0.894 174.359 175.510 -0.429 0.000 1.052 102 N CA 0.523 53.388 53.050 -0.307 0.000 0.887 102 N CB 1.598 40.047 38.487 -0.063 0.000 1.323 102 N HN 1.084 nan 8.380 nan 0.000 0.509 103 G N 1.875 110.326 108.800 -0.583 0.000 2.352 103 G HA2 0.136 4.096 3.960 -0.000 0.000 0.283 103 G HA3 0.136 4.096 3.960 -0.000 0.000 0.283 103 G C -1.962 172.916 174.900 -0.036 0.000 1.308 103 G CA -0.977 44.019 45.100 -0.174 0.000 0.892 103 G HN 0.661 nan 8.290 nan 0.000 0.504 104 N N -0.548 118.296 118.700 0.239 0.000 2.454 104 N HA 0.541 5.280 4.740 -0.000 0.000 0.291 104 N C -0.698 175.004 175.510 0.320 0.000 1.079 104 N CA -0.619 52.592 53.050 0.268 0.000 0.893 104 N CB 1.521 40.113 38.487 0.175 0.000 1.512 104 N HN 0.543 nan 8.380 nan 0.000 0.497 105 L N 3.699 125.090 121.223 0.281 0.000 2.385 105 L HA 0.230 4.570 4.340 -0.000 0.000 0.281 105 L C 1.104 178.079 176.870 0.176 0.000 1.106 105 L CA -0.426 54.548 54.840 0.224 0.000 0.856 105 L CB 0.989 43.127 42.059 0.131 0.000 1.186 105 L HN 0.493 nan 8.230 nan 0.000 0.453 106 V N 2.874 122.911 119.914 0.205 0.000 3.141 106 V HA -0.142 3.978 4.120 -0.000 0.000 0.265 106 V C 1.443 177.644 176.094 0.179 0.000 1.126 106 V CA 1.434 63.827 62.300 0.154 0.000 1.141 106 V CB -0.685 31.235 31.823 0.161 0.000 0.743 106 V HN 0.986 nan 8.190 nan 0.000 0.492 107 N N -0.339 118.442 118.700 0.134 0.000 2.200 107 N HA 0.207 4.947 4.740 -0.000 0.000 0.224 107 N C 1.174 176.641 175.510 -0.072 0.000 1.179 107 N CA 0.604 53.641 53.050 -0.022 0.000 0.877 107 N CB 0.352 38.794 38.487 -0.076 0.000 1.072 107 N HN 0.202 nan 8.380 nan 0.000 0.519 108 A N 0.703 123.503 122.820 -0.034 0.000 1.972 108 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 108 A C 2.021 179.529 177.584 -0.127 0.000 1.169 108 A CA 1.913 53.905 52.037 -0.075 0.000 0.635 108 A CB -1.072 17.901 19.000 -0.046 0.000 0.810 108 A HN 0.378 nan 8.150 nan 0.000 0.446 109 T N -0.296 114.189 114.554 -0.115 0.000 2.701 109 T HA -0.219 4.131 4.350 -0.000 0.000 0.263 109 T C 2.059 176.676 174.700 -0.139 0.000 1.040 109 T CA 1.434 63.455 62.100 -0.133 0.000 1.147 109 T CB -0.415 68.393 68.868 -0.101 0.000 0.865 109 T HN 0.673 nan 8.240 nan 0.000 0.426 110 Q N 0.876 120.590 119.800 -0.143 0.000 2.045 110 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 110 Q C 2.321 178.241 176.000 -0.134 0.000 0.991 110 Q CA 1.553 57.263 55.803 -0.156 0.000 0.851 110 Q CB -0.443 28.153 28.738 -0.237 0.000 0.911 110 Q HN 0.506 nan 8.270 nan 0.000 0.418 111 L N 0.300 121.444 121.223 -0.132 0.000 2.141 111 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 111 L C 2.546 179.361 176.870 -0.093 0.000 1.094 111 L CA 1.192 55.973 54.840 -0.100 0.000 0.763 111 L CB -0.214 41.792 42.059 -0.088 0.000 0.908 111 L HN 0.174 nan 8.230 nan 0.000 0.437 112 K N -0.606 119.692 120.400 -0.169 0.000 2.167 112 K HA -0.165 4.155 4.320 -0.000 0.000 0.203 112 K C 2.091 178.635 176.600 -0.092 0.000 1.052 112 K CA 0.875 57.003 56.287 -0.264 0.000 0.956 112 K CB 0.005 32.192 32.500 -0.522 0.000 0.735 112 K HN 0.281 nan 8.250 nan 0.000 0.451 113 Q N 1.257 121.003 119.800 -0.089 0.000 1.993 113 Q HA -0.196 4.143 4.340 -0.000 0.000 0.202 113 Q C 2.053 178.045 176.000 -0.015 0.000 0.984 113 Q CA 1.690 57.465 55.803 -0.047 0.000 0.837 113 Q CB 0.114 28.814 28.738 -0.063 0.000 0.902 113 Q HN 0.276 nan 8.270 nan 0.000 0.423 114 Q N -0.428 119.355 119.800 -0.028 0.000 2.181 114 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 114 Q C 1.900 177.908 176.000 0.013 0.000 0.980 114 Q CA 0.900 56.693 55.803 -0.016 0.000 0.862 114 Q CB -0.014 28.704 28.738 -0.033 0.000 0.905 114 Q HN 0.264 nan 8.270 nan 0.000 0.429 115 L N 0.708 121.961 121.223 0.051 0.000 2.095 115 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 115 L C 1.868 178.796 176.870 0.097 0.000 1.080 115 L CA 1.683 56.581 54.840 0.096 0.000 0.759 115 L CB -0.363 41.818 42.059 0.204 0.000 0.914 115 L HN 0.141 nan 8.230 nan 0.000 0.439 116 E N -0.813 119.480 120.200 0.155 0.000 2.106 116 E HA -0.200 4.149 4.350 -0.000 0.000 0.192 116 E C 1.782 178.407 176.600 0.042 0.000 0.984 116 E CA 1.000 57.467 56.400 0.111 0.000 0.806 116 E CB 0.033 29.816 29.700 0.139 0.000 0.750 116 E HN 0.486 nan 8.360 nan 0.000 0.458 117 N N 1.093 119.811 118.700 0.031 0.000 2.084 117 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 117 N C 1.278 176.790 175.510 0.003 0.000 1.030 117 N CA 0.920 53.976 53.050 0.011 0.000 0.849 117 N CB -0.280 38.209 38.487 0.002 0.000 1.012 117 N HN 0.164 nan 8.380 nan 0.000 0.423 118 Q N -0.181 119.620 119.800 0.003 0.000 2.594 118 Q HA 0.065 4.405 4.340 -0.000 0.000 0.219 118 Q C 0.251 176.244 176.000 -0.011 0.000 0.980 118 Q CA 0.436 56.235 55.803 -0.006 0.000 0.962 118 Q CB -0.239 28.494 28.738 -0.007 0.000 0.987 118 Q HN 0.571 nan 8.270 nan 0.000 0.553 119 G N -0.068 108.726 108.800 -0.010 0.000 2.159 119 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 119 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 119 G C 0.009 174.884 174.900 -0.041 0.000 0.986 119 G CA 0.111 45.199 45.100 -0.020 0.000 0.651 119 G HN 0.290 nan 8.290 nan 0.000 0.523 120 S N 0.504 116.164 115.700 -0.067 0.000 2.562 120 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 120 S C 0.529 174.973 174.600 -0.261 0.000 1.281 120 S CA -0.028 58.056 58.200 -0.192 0.000 1.045 120 S CB 1.140 64.127 63.200 -0.356 0.000 0.962 120 S HN 0.934 nan 8.310 nan 0.000 0.503 121 I N -0.524 119.884 120.570 -0.271 0.000 2.441 121 I HA 0.653 4.823 4.170 -0.000 0.000 0.295 121 I C -1.381 174.553 176.117 -0.305 0.000 0.994 121 I CA -0.819 60.381 61.300 -0.167 0.000 1.144 121 I CB 0.979 38.956 38.000 -0.039 0.000 1.314 121 I HN 0.308 nan 8.210 nan 0.000 0.445 122 F N 3.992 123.951 119.950 0.015 0.000 2.426 122 F HA 0.414 4.940 4.527 -0.000 0.000 0.348 122 F C 1.205 177.041 175.800 0.061 0.000 1.124 122 F CA -0.266 57.748 58.000 0.022 0.000 1.008 122 F CB 1.961 40.930 39.000 -0.051 0.000 1.139 122 F HN 0.595 nan 8.300 nan 0.000 0.452 123 Q N 0.800 120.753 119.800 0.255 0.000 2.354 123 Q HA 0.045 4.385 4.340 -0.000 0.000 0.203 123 Q C 0.827 176.932 176.000 0.174 0.000 0.933 123 Q CA 0.803 56.717 55.803 0.185 0.000 0.901 123 Q CB 0.476 29.307 28.738 0.155 0.000 1.007 123 Q HN 0.809 nan 8.270 nan 0.000 0.495 124 T N -3.157 111.522 114.554 0.209 0.000 2.762 124 T HA 0.357 4.706 4.350 -0.000 0.000 0.272 124 T C 0.524 175.297 174.700 0.122 0.000 0.982 124 T CA -0.423 61.768 62.100 0.152 0.000 1.013 124 T CB 1.535 70.497 68.868 0.156 0.000 1.309 124 T HN -0.023 nan 8.240 nan 0.000 0.572 125 S N -0.709 115.038 115.700 0.079 0.000 2.754 125 S HA 0.357 4.827 4.470 -0.000 0.000 0.247 125 S C 0.461 175.083 174.600 0.037 0.000 1.031 125 S CA -0.579 57.637 58.200 0.026 0.000 1.014 125 S CB -0.228 62.979 63.200 0.012 0.000 0.918 125 S HN 0.780 nan 8.310 nan 0.000 0.519 126 S N 1.336 117.087 115.700 0.085 0.000 2.548 126 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 126 S C 0.678 175.347 174.600 0.115 0.000 1.315 126 S CA -0.340 57.929 58.200 0.115 0.000 1.050 126 S CB 0.448 63.730 63.200 0.137 0.000 0.918 126 S HN 0.285 nan 8.310 nan 0.000 0.497 127 D N 3.351 123.833 120.400 0.136 0.000 2.144 127 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 127 D C 1.884 178.268 176.300 0.138 0.000 0.984 127 D CA 1.409 55.474 54.000 0.109 0.000 0.834 127 D CB -0.727 40.146 40.800 0.122 0.000 0.955 127 D HN 0.664 nan 8.370 nan 0.000 0.465 128 T N 0.699 115.384 114.554 0.219 0.000 2.721 128 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 128 T C 1.745 176.577 174.700 0.221 0.000 1.038 128 T CA 1.532 63.791 62.100 0.265 0.000 1.145 128 T CB -0.148 68.879 68.868 0.265 0.000 0.858 128 T HN 0.325 nan 8.240 nan 0.000 0.459 129 E N 0.091 120.450 120.200 0.265 0.000 2.152 129 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 129 E C 2.210 178.984 176.600 0.291 0.000 0.983 129 E CA 0.514 57.121 56.400 0.344 0.000 0.818 129 E CB 0.042 30.010 29.700 0.446 0.000 0.758 129 E HN 0.286 nan 8.360 nan 0.000 0.467 130 V N 1.899 121.924 119.914 0.186 0.000 2.295 130 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 130 V C 2.468 178.579 176.094 0.028 0.000 1.049 130 V CA 1.423 63.795 62.300 0.121 0.000 1.024 130 V CB -0.508 31.309 31.823 -0.010 0.000 0.648 130 V HN 0.447 nan 8.190 nan 0.000 0.447 131 L N 0.101 121.273 121.223 -0.085 0.000 2.079 131 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 131 L C 2.444 179.156 176.870 -0.263 0.000 1.081 131 L CA 2.252 56.929 54.840 -0.271 0.000 0.752 131 L CB -0.625 41.099 42.059 -0.558 0.000 0.896 131 L HN 0.416 nan 8.230 nan 0.000 0.433 132 A N -1.692 120.969 122.820 -0.265 0.000 2.016 132 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 132 A C 1.758 179.079 177.584 -0.439 0.000 1.162 132 A CA 0.937 52.692 52.037 -0.469 0.000 0.662 132 A CB -0.572 17.821 19.000 -1.012 0.000 0.812 132 A HN 0.529 nan 8.150 nan 0.000 0.450 133 H N -0.009 118.874 119.070 -0.312 0.000 2.357 133 H HA 0.052 4.608 4.556 -0.000 0.000 0.301 133 H C 1.902 177.121 175.328 -0.182 0.000 1.082 133 H CA 1.691 57.599 56.048 -0.234 0.000 1.342 133 H CB -0.186 29.488 29.762 -0.147 0.000 1.389 133 H HN 0.356 nan 8.280 nan 0.000 0.511 134 L N -0.202 120.994 121.223 -0.044 0.000 2.042 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 134 L C 2.141 178.925 176.870 -0.144 0.000 1.076 134 L CA 1.221 56.005 54.840 -0.093 0.000 0.749 134 L CB -0.508 41.480 42.059 -0.118 0.000 0.893 134 L HN 0.274 nan 8.230 nan 0.000 0.432 135 I N 0.182 120.635 120.570 -0.196 0.000 2.127 135 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 135 I C 2.726 178.743 176.117 -0.167 0.000 1.075 135 I CA 1.460 62.645 61.300 -0.191 0.000 1.334 135 I CB -0.311 37.557 38.000 -0.220 0.000 1.040 135 I HN 0.211 nan 8.210 nan 0.000 0.405 136 K N 1.750 122.032 120.400 -0.197 0.000 2.032 136 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 136 K C 1.970 178.488 176.600 -0.136 0.000 1.048 136 K CA 1.706 57.887 56.287 -0.177 0.000 0.927 136 K CB -0.285 32.070 32.500 -0.242 0.000 0.712 136 K HN 0.172 nan 8.250 nan 0.000 0.441 137 R N 0.611 121.037 120.500 -0.123 0.000 2.323 137 R HA 0.105 4.445 4.340 -0.000 0.000 0.198 137 R C 0.219 176.464 176.300 -0.090 0.000 0.988 137 R CA 0.060 56.104 56.100 -0.093 0.000 1.041 137 R CB -0.073 30.186 30.300 -0.068 0.000 0.926 137 R HN 0.055 nan 8.270 nan 0.000 0.476 138 S N -0.436 115.206 115.700 -0.096 0.000 2.548 138 S HA 0.236 4.706 4.470 -0.000 0.000 0.277 138 S C 1.108 175.637 174.600 -0.118 0.000 1.315 138 S CA -0.549 57.604 58.200 -0.078 0.000 1.050 138 S CB 1.365 64.527 63.200 -0.062 0.000 0.918 138 S HN 0.405 nan 8.310 nan 0.000 0.497 139 G N 2.849 111.553 108.800 -0.160 0.000 3.141 139 G HA2 0.138 4.098 3.960 -0.000 0.000 0.218 139 G HA3 0.138 4.098 3.960 -0.000 0.000 0.218 139 G C 0.279 174.836 174.900 -0.572 0.000 1.170 139 G CA -0.085 44.825 45.100 -0.317 0.000 0.769 139 G HN 0.750 nan 8.290 nan 0.000 0.546 140 H N -1.196 117.642 119.070 -0.388 0.000 2.703 140 H HA 0.277 4.832 4.556 -0.000 0.000 0.377 140 H C 0.410 175.465 175.328 -0.455 0.000 1.392 140 H CA 0.586 56.391 56.048 -0.405 0.000 1.458 140 H CB 0.584 30.252 29.762 -0.157 0.000 1.529 140 H HN 0.102 nan 8.280 nan 0.000 0.619 141 F N -0.982 119.013 119.950 0.074 0.000 2.695 141 F HA 0.228 4.754 4.527 -0.000 0.000 0.303 141 F C 0.360 176.170 175.800 0.017 0.000 1.091 141 F CA 0.235 58.247 58.000 0.019 0.000 1.300 141 F CB 0.591 39.590 39.000 -0.002 0.000 1.071 141 F HN 0.254 nan 8.300 nan 0.000 0.578 142 T N 0.308 114.951 114.554 0.149 0.000 2.923 142 T HA 0.208 4.558 4.350 -0.000 0.000 0.311 142 T C 0.695 175.409 174.700 0.024 0.000 1.183 142 T CA -0.600 61.549 62.100 0.082 0.000 1.020 142 T CB 2.334 71.252 68.868 0.083 0.000 1.165 142 T HN -0.125 nan 8.240 nan 0.000 0.482 143 L N 2.385 123.604 121.223 -0.007 0.000 1.990 143 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 143 L C 2.559 179.393 176.870 -0.061 0.000 1.072 143 L CA 2.057 56.872 54.840 -0.041 0.000 0.755 143 L CB -0.369 41.663 42.059 -0.044 0.000 0.889 143 L HN 0.754 nan 8.230 nan 0.000 0.432 144 K N -0.265 120.105 120.400 -0.050 0.000 2.044 144 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 144 K C 1.607 178.160 176.600 -0.077 0.000 1.049 144 K CA 2.174 58.424 56.287 -0.062 0.000 0.927 144 K CB -0.126 32.348 32.500 -0.043 0.000 0.713 144 K HN 0.474 nan 8.250 nan 0.000 0.443 145 D N 0.142 120.510 120.400 -0.053 0.000 2.224 145 D HA -0.111 4.528 4.640 -0.000 0.000 0.205 145 D C 1.981 178.152 176.300 -0.215 0.000 0.965 145 D CA 0.899 54.832 54.000 -0.112 0.000 0.852 145 D CB 0.103 40.906 40.800 0.006 0.000 0.947 145 D HN 0.420 nan 8.370 nan 0.000 0.494 146 Q N 0.322 120.053 119.800 -0.114 0.000 2.079 146 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 146 Q C 2.448 178.338 176.000 -0.183 0.000 0.974 146 Q CA 0.751 56.479 55.803 -0.124 0.000 0.840 146 Q CB 0.147 28.830 28.738 -0.092 0.000 0.898 146 Q HN 0.313 nan 8.270 nan 0.000 0.430 147 I N 0.730 121.185 120.570 -0.191 0.000 2.202 147 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 147 I C 2.458 178.406 176.117 -0.281 0.000 1.091 147 I CA 1.091 62.240 61.300 -0.252 0.000 1.368 147 I CB -0.289 37.573 38.000 -0.231 0.000 1.058 147 I HN 0.135 nan 8.210 nan 0.000 0.410 148 K N 1.200 121.463 120.400 -0.228 0.000 2.113 148 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 148 K C 1.535 178.029 176.600 -0.177 0.000 1.047 148 K CA 2.174 58.348 56.287 -0.189 0.000 0.928 148 K CB -0.071 32.359 32.500 -0.117 0.000 0.716 148 K HN 0.353 nan 8.250 nan 0.000 0.446 149 N N -0.968 117.587 118.700 -0.241 0.000 2.388 149 N HA 0.031 4.771 4.740 -0.000 0.000 0.176 149 N C 1.227 176.649 175.510 -0.146 0.000 1.062 149 N CA 0.394 53.325 53.050 -0.198 0.000 0.895 149 N CB 0.534 38.809 38.487 -0.354 0.000 1.018 149 N HN 0.011 nan 8.380 nan 0.000 0.456 150 S N 0.777 116.364 115.700 -0.189 0.000 2.383 150 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 150 S C 1.780 176.244 174.600 -0.228 0.000 1.026 150 S CA 0.680 58.762 58.200 -0.195 0.000 0.981 150 S CB -0.216 62.838 63.200 -0.243 0.000 0.818 150 S HN 0.275 nan 8.310 nan 0.000 0.472 151 L N 1.329 122.372 121.223 -0.300 0.000 2.187 151 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 151 L C 2.158 179.003 176.870 -0.042 0.000 1.100 151 L CA 0.886 55.523 54.840 -0.337 0.000 0.765 151 L CB -0.586 41.097 42.059 -0.627 0.000 0.904 151 L HN 0.274 nan 8.230 nan 0.000 0.437 152 S N -0.828 114.883 115.700 0.018 0.000 2.489 152 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 152 S C 1.746 176.386 174.600 0.066 0.000 0.995 152 S CA 0.751 59.017 58.200 0.111 0.000 0.934 152 S CB 0.023 63.276 63.200 0.088 0.000 0.771 152 S HN 0.382 nan 8.310 nan 0.000 0.522 153 M N 0.857 120.458 119.600 0.002 0.000 2.502 153 M HA 0.235 4.715 4.480 -0.000 0.000 0.243 153 M C -0.309 175.995 176.300 0.007 0.000 1.130 153 M CA 0.394 55.691 55.300 -0.005 0.000 1.055 153 M CB 0.031 32.606 32.600 -0.043 0.000 1.457 153 M HN 0.136 nan 8.290 nan 0.000 0.488 154 L N 0.484 121.722 121.223 0.025 0.000 2.357 154 L HA 0.425 4.764 4.340 -0.000 0.000 0.273 154 L C -0.266 176.724 176.870 0.201 0.000 1.080 154 L CA -0.592 54.282 54.840 0.056 0.000 0.803 154 L CB 0.948 42.957 42.059 -0.084 0.000 1.174 154 L HN -0.119 nan 8.230 nan 0.000 0.443 155 K N 0.737 121.274 120.400 0.228 0.000 2.371 155 K HA 0.836 5.156 4.320 -0.000 0.000 0.251 155 K C -0.120 176.676 176.600 0.327 0.000 0.934 155 K CA 0.264 56.725 56.287 0.290 0.000 0.798 155 K CB 2.075 34.772 32.500 0.328 0.000 1.204 155 K HN 0.769 nan 8.250 nan 0.000 0.427 156 G N 0.787 109.789 108.800 0.336 0.000 2.341 156 G HA2 0.266 4.225 3.960 -0.000 0.000 0.196 156 G HA3 0.266 4.225 3.960 -0.000 0.000 0.196 156 G C -1.473 173.599 174.900 0.286 0.000 1.231 156 G CA -0.397 44.944 45.100 0.401 0.000 1.155 156 G HN 0.798 nan 8.290 nan 0.000 0.529 157 A N -0.263 122.755 122.820 0.330 0.000 2.342 157 A HA 1.013 5.333 4.320 -0.000 0.000 0.323 157 A C -0.739 176.996 177.584 0.252 0.000 1.125 157 A CA 0.231 52.342 52.037 0.123 0.000 0.785 157 A CB 1.071 20.129 19.000 0.097 0.000 1.221 157 A HN 2.276 nan 8.150 nan 0.000 0.463 158 Y N -1.383 118.962 120.300 0.075 0.000 2.474 158 Y HA 0.684 5.234 4.550 -0.000 0.000 0.326 158 Y C -0.692 175.199 175.900 -0.016 0.000 1.160 158 Y CA -0.990 57.110 58.100 0.001 0.000 1.056 158 Y CB 0.839 39.172 38.460 -0.213 0.000 1.330 158 Y HN 1.050 nan 8.280 nan 0.000 0.447 159 A N 3.929 126.803 122.820 0.090 0.000 2.310 159 A HA 0.785 5.105 4.320 -0.000 0.000 0.304 159 A C -2.002 175.640 177.584 0.097 0.000 1.231 159 A CA -0.488 51.619 52.037 0.116 0.000 0.799 159 A CB 0.168 19.208 19.000 0.066 0.000 1.162 159 A HN 0.564 nan 8.150 nan 0.000 0.486 160 F N 1.828 121.947 119.950 0.282 0.000 2.450 160 F HA 0.619 5.146 4.527 -0.000 0.000 0.332 160 F C 0.093 175.970 175.800 0.128 0.000 1.093 160 F CA -0.677 57.433 58.000 0.183 0.000 1.003 160 F CB 1.881 40.918 39.000 0.063 0.000 1.151 160 F HN 0.348 nan 8.300 nan 0.000 0.474 161 L N 5.078 126.499 121.223 0.330 0.000 2.356 161 L HA 0.612 4.952 4.340 -0.000 0.000 0.277 161 L C -1.034 175.952 176.870 0.194 0.000 0.996 161 L CA -0.704 54.267 54.840 0.219 0.000 0.822 161 L CB 1.971 44.146 42.059 0.193 0.000 1.256 161 L HN 0.483 nan 8.230 nan 0.000 0.413 162 I N 3.651 124.298 120.570 0.128 0.000 2.608 162 I HA 0.574 4.744 4.170 -0.000 0.000 0.295 162 I C -0.405 175.767 176.117 0.091 0.000 1.049 162 I CA -0.206 61.147 61.300 0.089 0.000 1.063 162 I CB 2.364 40.368 38.000 0.006 0.000 1.248 162 I HN 0.579 nan 8.210 nan 0.000 0.424 163 M N 4.874 124.541 119.600 0.111 0.000 2.371 163 M HA 0.554 5.033 4.480 -0.000 0.000 0.287 163 M C -0.910 175.469 176.300 0.132 0.000 1.149 163 M CA -0.194 55.191 55.300 0.142 0.000 0.929 163 M CB 2.139 34.867 32.600 0.213 0.000 1.683 163 M HN 0.844 nan 8.290 nan 0.000 0.470 164 T N -0.271 114.361 114.554 0.130 0.000 2.678 164 T HA 0.516 4.866 4.350 -0.000 0.000 0.260 164 T C 0.496 175.300 174.700 0.173 0.000 0.932 164 T CA -0.359 61.810 62.100 0.115 0.000 1.043 164 T CB 0.834 69.738 68.868 0.059 0.000 1.413 164 T HN 0.663 nan 8.240 nan 0.000 0.568 165 E N 0.572 120.861 120.200 0.149 0.000 2.150 165 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 165 E C 1.987 178.767 176.600 0.300 0.000 0.985 165 E CA 1.863 58.373 56.400 0.184 0.000 0.814 165 E CB -0.258 29.519 29.700 0.127 0.000 0.752 165 E HN 0.853 nan 8.360 nan 0.000 0.466 166 T N -3.209 111.482 114.554 0.227 0.000 2.985 166 T HA 0.274 4.623 4.350 -0.000 0.000 0.254 166 T C 0.306 174.906 174.700 -0.166 0.000 1.021 166 T CA -0.307 61.910 62.100 0.196 0.000 0.957 166 T CB 0.387 69.306 68.868 0.085 0.000 1.047 166 T HN -0.085 nan 8.240 nan 0.000 0.511 167 E N 0.204 120.207 120.200 -0.329 0.000 2.449 167 E HA 0.649 4.998 4.350 -0.000 0.000 0.278 167 E C -1.583 174.756 176.600 -0.435 0.000 0.992 167 E CA -0.854 55.136 56.400 -0.683 0.000 0.807 167 E CB 2.207 31.684 29.700 -0.371 0.000 1.350 167 E HN 0.198 nan 8.360 nan 0.000 0.462 168 M N 1.931 121.284 119.600 -0.411 0.000 2.197 168 M HA 0.517 4.997 4.480 -0.000 0.000 0.301 168 M C -1.914 174.326 176.300 -0.101 0.000 0.987 168 M CA -0.568 54.675 55.300 -0.095 0.000 0.921 168 M CB 0.920 33.564 32.600 0.072 0.000 1.569 168 M HN 0.537 nan 8.290 nan 0.000 0.431 169 I N 4.634 125.179 120.570 -0.042 0.000 2.460 169 I HA 0.573 4.742 4.170 -0.000 0.000 0.298 169 I C -0.868 175.262 176.117 0.022 0.000 0.989 169 I CA -0.498 60.779 61.300 -0.038 0.000 1.173 169 I CB 2.083 40.049 38.000 -0.057 0.000 1.338 169 I HN 0.420 nan 8.210 nan 0.000 0.456 170 V N 4.882 124.818 119.914 0.037 0.000 2.656 170 V HA 0.887 5.007 4.120 -0.000 0.000 0.307 170 V C -0.428 175.740 176.094 0.124 0.000 1.051 170 V CA -0.653 61.705 62.300 0.097 0.000 0.893 170 V CB 1.664 33.538 31.823 0.086 0.000 0.999 170 V HN 0.810 nan 8.190 nan 0.000 0.426 171 A N 4.066 127.006 122.820 0.201 0.000 2.449 171 A HA 0.926 5.246 4.320 -0.000 0.000 0.302 171 A C -1.715 176.085 177.584 0.361 0.000 1.048 171 A CA -0.519 51.670 52.037 0.254 0.000 0.708 171 A CB 1.768 20.837 19.000 0.115 0.000 1.274 171 A HN 0.842 nan 8.150 nan 0.000 0.410 172 L N 2.029 123.491 121.223 0.398 0.000 2.386 172 L HA 0.608 4.947 4.340 -0.000 0.000 0.271 172 L C -0.248 176.740 176.870 0.196 0.000 0.993 172 L CA -0.427 54.542 54.840 0.215 0.000 0.819 172 L CB 1.696 43.824 42.059 0.116 0.000 1.294 172 L HN 0.917 nan 8.230 nan 0.000 0.414 173 D N 4.338 124.586 120.400 -0.253 0.000 2.362 173 D HA 0.141 4.780 4.640 -0.000 0.000 0.238 173 D C -2.104 174.088 176.300 -0.180 0.000 1.212 173 D CA -0.905 52.828 54.000 -0.446 0.000 0.902 173 D CB 0.382 40.584 40.800 -0.998 0.000 1.180 173 D HN 0.432 nan 8.370 nan 0.000 0.445 174 P HA -0.072 nan 4.420 nan 0.000 0.222 174 P C 0.153 177.360 177.300 -0.155 0.000 1.147 174 P CA 0.980 63.971 63.100 -0.181 0.000 0.790 174 P CB 0.077 31.695 31.700 -0.138 0.000 0.780 175 N N -1.417 117.184 118.700 -0.165 0.000 2.424 175 N HA 0.129 4.868 4.740 -0.000 0.000 0.178 175 N C 1.169 176.578 175.510 -0.169 0.000 1.060 175 N CA 0.915 53.863 53.050 -0.169 0.000 0.901 175 N CB -0.570 37.797 38.487 -0.201 0.000 0.979 175 N HN 0.013 nan 8.380 nan 0.000 0.451 176 G N 0.763 109.465 108.800 -0.165 0.000 2.249 176 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.273 176 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.273 176 G C 0.759 175.582 174.900 -0.128 0.000 1.036 176 G CA 0.388 45.412 45.100 -0.127 0.000 0.824 176 G HN 0.310 nan 8.290 nan 0.000 0.504 177 L N -1.515 119.605 121.223 -0.173 0.000 2.012 177 L HA 0.011 4.350 4.340 -0.000 0.000 0.210 177 L C 1.958 178.756 176.870 -0.119 0.000 1.073 177 L CA 1.222 55.956 54.840 -0.177 0.000 0.748 177 L CB -0.209 41.683 42.059 -0.278 0.000 0.891 177 L HN 0.209 nan 8.230 nan 0.000 0.431 178 R N 0.137 120.573 120.500 -0.107 0.000 2.474 178 R HA 0.362 4.702 4.340 -0.000 0.000 0.295 178 R C -2.260 174.011 176.300 -0.049 0.000 0.980 178 R CA -2.585 53.469 56.100 -0.076 0.000 0.934 178 R CB 0.350 30.607 30.300 -0.072 0.000 1.101 178 R HN -0.062 nan 8.270 nan 0.000 0.469 179 P HA 0.345 nan 4.420 nan 0.000 0.276 179 P C -0.673 176.642 177.300 0.025 0.000 1.244 179 P CA -0.308 62.789 63.100 -0.006 0.000 0.801 179 P CB 1.246 32.932 31.700 -0.023 0.000 1.006 180 L N 0.547 121.802 121.223 0.054 0.000 2.549 180 L HA 0.315 4.655 4.340 -0.000 0.000 0.259 180 L C -0.587 176.364 176.870 0.134 0.000 0.934 180 L CA -0.264 54.628 54.840 0.087 0.000 0.865 180 L CB 2.331 44.447 42.059 0.096 0.000 1.352 180 L HN 0.368 nan 8.230 nan 0.000 0.410 181 S N 2.562 118.375 115.700 0.189 0.000 2.570 181 S HA 0.768 5.238 4.470 -0.000 0.000 0.286 181 S C -0.814 174.044 174.600 0.430 0.000 1.099 181 S CA -0.574 57.825 58.200 0.331 0.000 0.913 181 S CB 2.482 65.950 63.200 0.447 0.000 1.085 181 S HN 0.366 nan 8.310 nan 0.000 0.480 182 I N 1.056 121.807 120.570 0.301 0.000 2.603 182 I HA 0.787 4.957 4.170 -0.000 0.000 0.300 182 I C 0.515 176.543 176.117 -0.149 0.000 1.017 182 I CA -0.443 60.938 61.300 0.134 0.000 1.098 182 I CB 2.180 40.199 38.000 0.032 0.000 1.279 182 I HN 0.754 nan 8.210 nan 0.000 0.437 183 G N 4.634 113.166 108.800 -0.446 0.000 2.725 183 G HA2 0.813 4.773 3.960 -0.000 0.000 0.288 183 G HA3 0.813 4.773 3.960 -0.000 0.000 0.288 183 G C -1.449 173.217 174.900 -0.390 0.000 1.399 183 G CA -0.671 43.958 45.100 -0.785 0.000 0.859 183 G HN 0.397 nan 8.290 nan 0.000 0.479 184 M N 0.702 120.106 119.600 -0.327 0.000 2.446 184 M HA 0.526 5.005 4.480 -0.000 0.000 0.294 184 M C -1.149 175.043 176.300 -0.180 0.000 1.158 184 M CA -0.624 54.523 55.300 -0.255 0.000 0.899 184 M CB 2.853 35.287 32.600 -0.276 0.000 1.687 184 M HN 0.496 nan 8.290 nan 0.000 0.455 185 M N 3.180 122.709 119.600 -0.118 0.000 1.980 185 M HA 0.438 4.918 4.480 -0.000 0.000 0.282 185 M C 0.226 176.522 176.300 -0.007 0.000 0.878 185 M CA 0.344 55.627 55.300 -0.029 0.000 0.900 185 M CB 0.542 33.160 32.600 0.031 0.000 1.577 185 M HN 0.985 nan 8.290 nan 0.000 0.396 186 G N 3.574 112.353 108.800 -0.036 0.000 2.595 186 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.297 186 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.297 186 G C 0.196 175.041 174.900 -0.091 0.000 1.181 186 G CA 0.546 45.624 45.100 -0.036 0.000 0.963 186 G HN 0.655 nan 8.290 nan 0.000 0.541 187 D N 2.146 122.499 120.400 -0.078 0.000 2.360 187 D HA 0.458 5.097 4.640 -0.000 0.000 0.210 187 D C 1.344 177.539 176.300 -0.176 0.000 1.047 187 D CA 0.874 54.801 54.000 -0.122 0.000 0.854 187 D CB 0.354 41.122 40.800 -0.053 0.000 0.936 187 D HN 0.753 nan 8.370 nan 0.000 0.514 188 A N 0.379 123.141 122.820 -0.097 0.000 2.302 188 A HA 0.447 4.767 4.320 -0.000 0.000 0.285 188 A C -0.903 176.594 177.584 -0.146 0.000 1.105 188 A CA -0.243 51.791 52.037 -0.004 0.000 0.816 188 A CB 0.351 19.443 19.000 0.154 0.000 1.067 188 A HN -0.018 nan 8.150 nan 0.000 0.489 189 Y N 0.147 120.513 120.300 0.110 0.000 2.360 189 Y HA 0.497 5.046 4.550 -0.000 0.000 0.337 189 Y C 0.382 176.298 175.900 0.027 0.000 1.039 189 Y CA -0.359 57.769 58.100 0.047 0.000 1.109 189 Y CB 1.960 40.458 38.460 0.063 0.000 1.201 189 Y HN 0.587 nan 8.280 nan 0.000 0.458 190 V N 3.766 123.729 119.914 0.082 0.000 2.823 190 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 190 V C -1.724 174.376 176.094 0.010 0.000 1.072 190 V CA -0.692 61.590 62.300 -0.030 0.000 0.937 190 V CB 2.029 33.838 31.823 -0.024 0.000 1.013 190 V HN 0.515 nan 8.190 nan 0.000 0.430 191 V N 4.992 124.861 119.914 -0.075 0.000 2.656 191 V HA 0.996 5.116 4.120 -0.000 0.000 0.307 191 V C 0.189 176.266 176.094 -0.029 0.000 1.051 191 V CA 0.264 62.599 62.300 0.058 0.000 0.893 191 V CB 1.396 33.237 31.823 0.029 0.000 0.999 191 V HN 1.488 nan 8.190 nan 0.000 0.426 192 A N 2.912 125.802 122.820 0.116 0.000 2.587 192 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 192 A C 0.625 178.226 177.584 0.029 0.000 1.087 192 A CA -0.182 51.889 52.037 0.057 0.000 0.692 192 A CB 1.835 20.873 19.000 0.063 0.000 1.291 192 A HN 0.604 nan 8.150 nan 0.000 0.407 193 S N -0.173 115.559 115.700 0.054 0.000 2.447 193 S HA 0.032 4.501 4.470 -0.000 0.000 0.233 193 S C 0.469 175.058 174.600 -0.018 0.000 1.006 193 S CA 1.385 59.603 58.200 0.029 0.000 0.957 193 S CB -0.164 63.060 63.200 0.039 0.000 0.773 193 S HN 0.667 nan 8.310 nan 0.000 0.507 194 E N -1.027 119.129 120.200 -0.073 0.000 2.408 194 E HA 0.214 4.563 4.350 -0.000 0.000 0.275 194 E C 0.258 176.680 176.600 -0.296 0.000 0.935 194 E CA -0.175 56.151 56.400 -0.124 0.000 0.775 194 E CB 1.315 30.978 29.700 -0.062 0.000 1.277 194 E HN 0.129 nan 8.360 nan 0.000 0.455 195 T N -2.952 111.413 114.554 -0.314 0.000 3.055 195 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 195 T C 2.010 176.542 174.700 -0.279 0.000 1.111 195 T CA 1.056 62.864 62.100 -0.487 0.000 1.118 195 T CB -0.827 67.907 68.868 -0.224 0.000 0.909 195 T HN 0.696 nan 8.240 nan 0.000 0.501 196 C N 1.404 120.610 119.300 -0.156 0.000 2.410 196 C HA 0.344 4.804 4.460 -0.000 0.000 0.281 196 C C 3.038 178.006 174.990 -0.036 0.000 1.318 196 C CA 0.011 58.983 59.018 -0.077 0.000 1.776 196 C CB -1.803 25.888 27.740 -0.082 0.000 1.942 196 C HN 0.631 nan 8.230 nan 0.000 0.508 197 A N 0.194 122.980 122.820 -0.056 0.000 2.015 197 A HA 0.116 4.435 4.320 -0.000 0.000 0.219 197 A C 1.791 179.520 177.584 0.242 0.000 1.163 197 A CA 1.228 53.298 52.037 0.056 0.000 0.646 197 A CB -0.703 18.388 19.000 0.151 0.000 0.806 197 A HN 0.536 nan 8.150 nan 0.000 0.448 198 F N 0.798 120.866 119.950 0.197 0.000 2.163 198 F HA -0.051 4.475 4.527 -0.000 0.000 0.297 198 F C 1.947 177.813 175.800 0.110 0.000 1.094 198 F CA 0.657 58.766 58.000 0.183 0.000 1.290 198 F CB -1.014 38.096 39.000 0.183 0.000 1.017 198 F HN 0.210 nan 8.300 nan 0.000 0.483 199 D N 0.276 120.820 120.400 0.240 0.000 2.104 199 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 199 D C 2.585 178.937 176.300 0.086 0.000 0.994 199 D CA 1.222 55.301 54.000 0.131 0.000 0.830 199 D CB -0.678 40.162 40.800 0.067 0.000 0.959 199 D HN 0.083 nan 8.370 nan 0.000 0.452 200 V N 0.556 120.512 119.914 0.070 0.000 2.295 200 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 200 V C 2.531 178.642 176.094 0.027 0.000 1.049 200 V CA 1.059 63.376 62.300 0.029 0.000 1.024 200 V CB -0.325 31.508 31.823 0.016 0.000 0.648 200 V HN 0.061 nan 8.190 nan 0.000 0.447 201 V N -0.128 119.836 119.914 0.083 0.000 3.129 201 V HA 0.227 4.347 4.120 -0.000 0.000 0.259 201 V C 1.574 177.713 176.094 0.075 0.000 1.116 201 V CA 1.367 63.714 62.300 0.079 0.000 1.127 201 V CB -0.153 31.766 31.823 0.159 0.000 0.742 201 V HN 0.841 nan 8.190 nan 0.000 0.474 202 G N 0.181 109.040 108.800 0.098 0.000 2.207 202 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 202 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 202 G C -0.023 174.923 174.900 0.076 0.000 1.053 202 G CA 0.052 45.195 45.100 0.072 0.000 0.764 202 G HN 1.031 nan 8.290 nan 0.000 0.495 203 A N 0.084 122.973 122.820 0.115 0.000 2.304 203 A HA 0.843 5.163 4.320 -0.000 0.000 0.323 203 A C 0.539 178.109 177.584 -0.023 0.000 1.195 203 A CA 0.181 52.235 52.037 0.029 0.000 0.826 203 A CB 0.981 20.004 19.000 0.039 0.000 1.184 203 A HN 0.738 nan 8.150 nan 0.000 0.496 204 T N 2.635 117.143 114.554 -0.077 0.000 2.834 204 T HA 0.221 4.571 4.350 -0.000 0.000 0.298 204 T C -0.163 174.454 174.700 -0.140 0.000 0.966 204 T CA 0.727 62.799 62.100 -0.047 0.000 1.141 204 T CB -0.312 68.532 68.868 -0.040 0.000 0.905 204 T HN 0.451 nan 8.240 nan 0.000 0.535 205 Y N 4.133 124.366 120.300 -0.111 0.000 2.411 205 Y HA 0.274 4.824 4.550 -0.000 0.000 0.333 205 Y C 0.193 176.077 175.900 -0.026 0.000 1.186 205 Y CA -0.422 57.645 58.100 -0.056 0.000 1.381 205 Y CB 0.380 38.968 38.460 0.214 0.000 1.273 205 Y HN 0.481 nan 8.280 nan 0.000 0.546 206 L N 4.865 125.683 121.223 -0.675 0.000 2.590 206 L HA 0.435 4.774 4.340 -0.000 0.000 0.181 206 L C -0.002 176.348 176.870 -0.867 0.000 1.134 206 L CA 0.816 55.347 54.840 -0.514 0.000 0.850 206 L CB -0.180 41.713 42.059 -0.276 0.000 1.172 206 L HN 0.848 nan 8.230 nan 0.000 0.498 207 R N -1.775 118.165 120.500 -0.932 0.000 2.764 207 R HA 0.429 4.769 4.340 -0.000 0.000 0.276 207 R C -1.187 175.014 176.300 -0.166 0.000 1.021 207 R CA -0.877 54.932 56.100 -0.486 0.000 0.870 207 R CB 0.850 31.066 30.300 -0.141 0.000 1.293 207 R HN -0.259 nan 8.270 nan 0.000 0.469 208 E N 0.763 121.022 120.200 0.098 0.000 2.280 208 E HA 0.302 4.652 4.350 -0.000 0.000 0.264 208 E C -0.229 176.428 176.600 0.094 0.000 1.064 208 E CA -0.922 55.576 56.400 0.163 0.000 0.900 208 E CB 1.625 31.441 29.700 0.193 0.000 1.123 208 E HN 0.281 nan 8.360 nan 0.000 0.418 209 V N 2.398 122.372 119.914 0.101 0.000 2.508 209 V HA -0.009 4.111 4.120 -0.000 0.000 0.281 209 V C 0.725 176.860 176.094 0.068 0.000 1.041 209 V CA -0.184 62.165 62.300 0.082 0.000 1.016 209 V CB 0.593 32.473 31.823 0.096 0.000 0.984 209 V HN 0.439 nan 8.190 nan 0.000 0.478 210 E N 5.827 126.057 120.200 0.051 0.000 2.392 210 E HA 0.184 4.534 4.350 -0.000 0.000 0.264 210 E C -2.335 174.266 176.600 0.001 0.000 1.024 210 E CA -2.047 54.368 56.400 0.025 0.000 0.903 210 E CB 0.696 30.404 29.700 0.014 0.000 0.963 210 E HN 0.428 nan 8.360 nan 0.000 0.432 211 P HA -0.014 nan 4.420 nan 0.000 0.261 211 P C 0.559 177.770 177.300 -0.149 0.000 1.183 211 P CA 1.066 64.113 63.100 -0.088 0.000 0.761 211 P CB 0.367 32.000 31.700 -0.113 0.000 0.785 212 G N 1.666 110.332 108.800 -0.223 0.000 2.176 212 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.253 212 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.253 212 G C 0.129 174.766 174.900 -0.439 0.000 0.979 212 G CA -0.066 44.632 45.100 -0.670 0.000 0.641 212 G HN 0.619 nan 8.290 nan 0.000 0.530 213 E N 0.253 120.451 120.200 -0.004 0.000 2.248 213 E HA 0.706 5.056 4.350 -0.000 0.000 0.272 213 E C 0.483 177.268 176.600 0.308 0.000 1.008 213 E CA -0.893 55.580 56.400 0.122 0.000 0.856 213 E CB 0.531 30.270 29.700 0.065 0.000 1.120 213 E HN 0.589 nan 8.360 nan 0.000 0.397 214 M N 2.653 122.403 119.600 0.250 0.000 2.393 214 M HA 0.455 4.935 4.480 -0.000 0.000 0.299 214 M C -1.901 174.445 176.300 0.076 0.000 1.103 214 M CA -0.796 54.613 55.300 0.181 0.000 0.910 214 M CB 1.591 34.282 32.600 0.153 0.000 1.659 214 M HN 0.271 nan 8.290 nan 0.000 0.445 215 L N 3.892 125.137 121.223 0.037 0.000 2.325 215 L HA 0.674 5.013 4.340 -0.000 0.000 0.278 215 L C -1.099 175.732 176.870 -0.065 0.000 1.023 215 L CA -0.765 54.060 54.840 -0.025 0.000 0.811 215 L CB 1.993 44.030 42.059 -0.036 0.000 1.249 215 L HN 0.695 nan 8.230 nan 0.000 0.431 216 I N 3.899 124.402 120.570 -0.111 0.000 2.382 216 I HA 0.406 4.576 4.170 -0.000 0.000 0.285 216 I C -0.313 175.660 176.117 -0.241 0.000 1.007 216 I CA 0.133 61.340 61.300 -0.154 0.000 1.142 216 I CB 1.260 39.183 38.000 -0.129 0.000 1.289 216 I HN 0.351 nan 8.210 nan 0.000 0.453 217 I N 7.201 127.584 120.570 -0.311 0.000 2.460 217 I HA 0.557 4.727 4.170 -0.000 0.000 0.298 217 I C -0.259 175.467 176.117 -0.652 0.000 0.989 217 I CA -0.329 60.712 61.300 -0.431 0.000 1.173 217 I CB 1.542 39.347 38.000 -0.325 0.000 1.338 217 I HN 0.788 nan 8.210 nan 0.000 0.456 218 N N 1.808 120.110 118.700 -0.663 0.000 3.496 218 N HA 0.174 4.914 4.740 -0.000 0.000 0.331 218 N C -0.430 174.926 175.510 -0.257 0.000 1.532 218 N CA -0.647 51.893 53.050 -0.851 0.000 0.863 218 N CB 0.236 38.413 38.487 -0.517 0.000 1.927 218 N HN 0.236 nan 8.380 nan 0.000 0.529 219 D N -0.621 119.795 120.400 0.027 0.000 2.269 219 D HA -0.110 4.529 4.640 -0.000 0.000 0.208 219 D C 1.331 177.692 176.300 0.101 0.000 0.963 219 D CA 0.765 54.885 54.000 0.200 0.000 0.864 219 D CB 0.007 40.945 40.800 0.230 0.000 0.936 219 D HN 0.645 nan 8.370 nan 0.000 0.505 220 E N 1.203 121.415 120.200 0.020 0.000 2.072 220 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 220 E C 0.998 177.611 176.600 0.022 0.000 0.985 220 E CA 1.503 57.910 56.400 0.012 0.000 0.801 220 E CB 0.221 29.906 29.700 -0.026 0.000 0.750 220 E HN 0.197 nan 8.360 nan 0.000 0.452 221 G N 0.329 109.115 108.800 -0.023 0.000 2.332 221 G HA2 0.077 4.037 3.960 -0.000 0.000 0.265 221 G HA3 0.077 4.037 3.960 -0.000 0.000 0.265 221 G C -1.261 173.466 174.900 -0.288 0.000 1.329 221 G CA -0.190 44.885 45.100 -0.042 0.000 0.949 221 G HN 0.235 nan 8.290 nan 0.000 0.476 222 M N 0.960 120.312 119.600 -0.414 0.000 2.180 222 M HA 0.635 5.114 4.480 -0.000 0.000 0.350 222 M C -0.661 175.509 176.300 -0.218 0.000 1.125 222 M CA -0.688 54.340 55.300 -0.453 0.000 1.031 222 M CB 1.073 33.256 32.600 -0.695 0.000 1.623 222 M HN 0.313 nan 8.290 nan 0.000 0.451 223 K N 2.774 123.072 120.400 -0.171 0.000 2.221 223 K HA 0.437 4.757 4.320 -0.000 0.000 0.258 223 K C -1.166 175.389 176.600 -0.073 0.000 0.944 223 K CA -0.249 55.978 56.287 -0.100 0.000 0.823 223 K CB 2.086 34.532 32.500 -0.089 0.000 1.113 223 K HN 0.760 nan 8.250 nan 0.000 0.431 224 S N 2.091 117.767 115.700 -0.041 0.000 2.537 224 S HA 0.498 4.968 4.470 -0.000 0.000 0.301 224 S C -1.019 173.582 174.600 0.001 0.000 1.092 224 S CA -0.507 57.684 58.200 -0.015 0.000 1.048 224 S CB 1.160 64.357 63.200 -0.006 0.000 1.053 224 S HN 0.551 nan 8.310 nan 0.000 0.501 225 E N 0.728 120.943 120.200 0.026 0.000 2.356 225 E HA 0.431 4.781 4.350 -0.000 0.000 0.275 225 E C -1.561 175.083 176.600 0.072 0.000 0.904 225 E CA -0.808 55.616 56.400 0.041 0.000 0.757 225 E CB 1.690 31.415 29.700 0.042 0.000 1.232 225 E HN 0.452 nan 8.360 nan 0.000 0.442 226 R N 2.169 122.700 120.500 0.050 0.000 2.265 226 R HA 0.257 4.597 4.340 -0.000 0.000 0.328 226 R C -0.110 176.216 176.300 0.043 0.000 0.969 226 R CA -0.291 55.816 56.100 0.011 0.000 0.832 226 R CB 0.133 30.410 30.300 -0.037 0.000 1.139 226 R HN 0.575 nan 8.270 nan 0.000 0.457 227 F N 0.604 120.563 119.950 0.015 0.000 2.765 227 F HA 0.429 4.955 4.527 -0.000 0.000 0.302 227 F C 0.112 175.924 175.800 0.020 0.000 1.111 227 F CA -0.561 57.446 58.000 0.012 0.000 1.359 227 F CB 0.479 39.493 39.000 0.023 0.000 1.097 227 F HN 0.311 nan 8.300 nan 0.000 0.577 228 S N 0.401 115.856 115.700 -0.408 0.000 2.584 228 S HA 0.458 4.928 4.470 -0.000 0.000 0.280 228 S C -0.375 174.079 174.600 -0.244 0.000 1.162 228 S CA -0.615 57.408 58.200 -0.295 0.000 0.951 228 S CB 0.862 63.821 63.200 -0.401 0.000 1.108 228 S HN 0.187 nan 8.310 nan 0.000 0.464 229 M N 3.496 123.020 119.600 -0.126 0.000 2.431 229 M HA 0.360 4.840 4.480 -0.000 0.000 0.237 229 M C 0.494 176.745 176.300 -0.080 0.000 1.130 229 M CA 0.223 55.466 55.300 -0.095 0.000 1.002 229 M CB -0.558 32.010 32.600 -0.054 0.000 1.524 229 M HN 0.565 nan 8.290 nan 0.000 0.482 230 N N 2.156 120.803 118.700 -0.088 0.000 3.105 230 N HA 0.408 5.148 4.740 -0.000 0.000 0.256 230 N C -0.931 174.529 175.510 -0.083 0.000 1.174 230 N CA -0.347 52.665 53.050 -0.063 0.000 1.030 230 N CB 0.321 38.785 38.487 -0.038 0.000 1.305 230 N HN 0.379 nan 8.380 nan 0.000 0.509 231 I N -0.884 119.633 120.570 -0.089 0.000 2.648 231 I HA 0.517 4.687 4.170 -0.000 0.000 0.304 231 I C -0.865 175.202 176.117 -0.085 0.000 1.009 231 I CA -0.904 60.334 61.300 -0.104 0.000 1.114 231 I CB 2.041 39.967 38.000 -0.123 0.000 1.293 231 I HN 0.268 nan 8.210 nan 0.000 0.449 232 N N 5.352 123.995 118.700 -0.096 0.000 2.675 232 N HA 0.225 4.965 4.740 -0.000 0.000 0.254 232 N C -0.917 174.520 175.510 -0.122 0.000 1.224 232 N CA -0.654 52.342 53.050 -0.091 0.000 0.777 232 N CB 1.113 39.558 38.487 -0.069 0.000 1.256 232 N HN 0.758 nan 8.380 nan 0.000 0.531 233 R N 1.972 122.381 120.500 -0.152 0.000 2.513 233 R HA -0.038 4.302 4.340 -0.000 0.000 0.333 233 R C -0.698 175.493 176.300 -0.181 0.000 0.925 233 R CA 0.756 56.732 56.100 -0.208 0.000 1.072 233 R CB 0.067 30.162 30.300 -0.343 0.000 0.914 233 R HN 0.576 nan 8.270 nan 0.000 0.408 234 S N 4.809 120.416 115.700 -0.155 0.000 2.571 234 S HA 0.259 4.728 4.470 -0.000 0.000 0.238 234 S C -0.375 174.162 174.600 -0.105 0.000 1.153 234 S CA -0.988 57.142 58.200 -0.117 0.000 1.141 234 S CB 0.566 63.698 63.200 -0.114 0.000 1.133 234 S HN 0.599 nan 8.310 nan 0.000 0.464 235 I N 2.423 122.962 120.570 -0.051 0.000 2.612 235 I HA 0.437 4.607 4.170 -0.000 0.000 0.295 235 I C 0.563 176.698 176.117 0.031 0.000 1.011 235 I CA -0.809 60.481 61.300 -0.016 0.000 1.326 235 I CB 1.095 39.120 38.000 0.042 0.000 1.427 235 I HN 0.921 nan 8.210 nan 0.000 0.537 236 C N 5.878 125.184 119.300 0.010 0.000 2.601 236 C HA 0.017 4.477 4.460 -0.000 0.000 0.405 236 C C 1.849 176.933 174.990 0.158 0.000 1.441 236 C CA 0.199 59.243 59.018 0.044 0.000 1.555 236 C CB -0.661 27.075 27.740 -0.007 0.000 2.450 236 C HN 0.953 nan 8.230 nan 0.000 0.614 237 S N 4.714 120.544 115.700 0.217 0.000 2.402 237 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 237 S C 1.891 176.712 174.600 0.368 0.000 1.021 237 S CA 1.276 59.687 58.200 0.352 0.000 0.974 237 S CB -0.126 63.347 63.200 0.454 0.000 0.800 237 S HN 0.850 nan 8.310 nan 0.000 0.484 238 M N 1.159 120.935 119.600 0.292 0.000 2.557 238 M HA 0.062 4.542 4.480 -0.000 0.000 0.259 238 M C 1.686 178.150 176.300 0.274 0.000 1.086 238 M CA 0.755 56.237 55.300 0.304 0.000 1.096 238 M CB -0.935 31.806 32.600 0.236 0.000 1.424 238 M HN 0.238 nan 8.290 nan 0.000 0.488 239 E N -0.352 119.954 120.200 0.177 0.000 2.077 239 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 239 E C 1.861 178.492 176.600 0.052 0.000 0.989 239 E CA 1.503 57.962 56.400 0.098 0.000 0.800 239 E CB -0.249 29.415 29.700 -0.059 0.000 0.746 239 E HN 0.507 nan 8.360 nan 0.000 0.452 240 Y N 0.539 120.917 120.300 0.129 0.000 2.206 240 Y HA -0.024 4.526 4.550 -0.000 0.000 0.292 240 Y C 2.381 178.349 175.900 0.113 0.000 1.123 240 Y CA 0.691 58.851 58.100 0.099 0.000 1.142 240 Y CB -0.324 38.188 38.460 0.087 0.000 1.006 240 Y HN -0.044 nan 8.280 nan 0.000 0.518 241 I N -1.961 118.812 120.570 0.338 0.000 2.202 241 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 241 I C 1.860 178.162 176.117 0.309 0.000 1.091 241 I CA 2.081 63.546 61.300 0.276 0.000 1.368 241 I CB -0.140 38.031 38.000 0.285 0.000 1.058 241 I HN 0.276 nan 8.210 nan 0.000 0.410 242 Y N -1.350 119.057 120.300 0.180 0.000 2.844 242 Y HA 0.104 4.654 4.550 -0.000 0.000 0.256 242 Y C 1.716 177.724 175.900 0.180 0.000 1.134 242 Y CA -0.399 57.800 58.100 0.165 0.000 1.209 242 Y CB -0.359 38.212 38.460 0.184 0.000 1.418 242 Y HN -0.048 nan 8.280 nan 0.000 0.459 243 F N 1.438 121.229 119.950 -0.264 0.000 2.259 243 F HA 0.223 4.750 4.527 -0.000 0.000 0.298 243 F C 1.067 176.742 175.800 -0.209 0.000 1.088 243 F CA 0.833 58.586 58.000 -0.412 0.000 1.358 243 F CB -0.151 38.754 39.000 -0.157 0.000 1.040 243 F HN -0.092 nan 8.300 nan 0.000 0.505 244 S N 0.861 116.510 115.700 -0.084 0.000 2.601 244 S HA 0.248 4.718 4.470 -0.000 0.000 0.271 244 S C 0.101 174.584 174.600 -0.195 0.000 1.305 244 S CA -0.770 57.367 58.200 -0.105 0.000 1.022 244 S CB 0.879 64.041 63.200 -0.063 0.000 0.940 244 S HN 0.083 nan 8.310 nan 0.000 0.525 245 R N 1.570 121.919 120.500 -0.252 0.000 2.570 245 R HA 0.034 4.374 4.340 -0.000 0.000 0.277 245 R C -1.853 174.333 176.300 -0.190 0.000 1.039 245 R CA -1.316 54.551 56.100 -0.388 0.000 1.065 245 R CB 0.068 30.080 30.300 -0.480 0.000 0.964 245 R HN 0.405 nan 8.270 nan 0.000 0.428 246 P HA -0.169 nan 4.420 nan 0.000 0.218 246 P C 0.257 177.548 177.300 -0.015 0.000 1.146 246 P CA 1.295 64.369 63.100 -0.044 0.000 0.813 246 P CB 0.180 31.860 31.700 -0.033 0.000 0.778 247 D N -2.527 117.833 120.400 -0.066 0.000 2.340 247 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 247 D C 0.209 176.478 176.300 -0.053 0.000 1.039 247 D CA 0.312 54.281 54.000 -0.051 0.000 0.866 247 D CB -0.566 40.193 40.800 -0.069 0.000 0.913 247 D HN -0.015 nan 8.370 nan 0.000 0.523 248 S N 0.702 116.360 115.700 -0.070 0.000 2.584 248 S HA 0.314 4.784 4.470 -0.000 0.000 0.273 248 S C 0.015 174.575 174.600 -0.066 0.000 1.311 248 S CA -0.660 57.489 58.200 -0.084 0.000 1.034 248 S CB 0.716 63.858 63.200 -0.096 0.000 0.939 248 S HN 0.168 nan 8.310 nan 0.000 0.513 249 N N 1.760 120.408 118.700 -0.088 0.000 2.372 249 N HA 0.436 5.175 4.740 -0.000 0.000 0.285 249 N C -1.130 174.341 175.510 -0.064 0.000 1.008 249 N CA -0.328 52.687 53.050 -0.058 0.000 0.880 249 N CB 1.361 39.791 38.487 -0.095 0.000 1.239 249 N HN 0.435 nan 8.380 nan 0.000 0.484 250 I N 1.176 121.724 120.570 -0.037 0.000 2.321 250 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 250 I C 0.479 176.666 176.117 0.117 0.000 0.998 250 I CA -0.241 61.006 61.300 -0.088 0.000 1.227 250 I CB 0.582 38.272 38.000 -0.516 0.000 1.368 250 I HN 0.418 nan 8.210 nan 0.000 0.466 251 D N 5.551 126.029 120.400 0.130 0.000 2.751 251 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 251 D C 1.159 177.559 176.300 0.167 0.000 1.149 251 D CA 1.340 55.461 54.000 0.202 0.000 0.682 251 D CB -0.452 40.526 40.800 0.297 0.000 1.068 251 D HN 1.165 nan 8.370 nan 0.000 0.429 252 G N -0.620 108.234 108.800 0.089 0.000 2.205 252 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.261 252 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.261 252 G C 0.490 175.417 174.900 0.046 0.000 0.980 252 G CA 0.395 45.513 45.100 0.030 0.000 0.632 252 G HN 0.529 nan 8.290 nan 0.000 0.533 253 I N 1.889 122.530 120.570 0.118 0.000 2.325 253 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 253 I C 0.778 176.978 176.117 0.138 0.000 1.019 253 I CA -0.665 60.712 61.300 0.129 0.000 1.302 253 I CB 1.095 39.204 38.000 0.183 0.000 1.401 253 I HN 0.257 nan 8.210 nan 0.000 0.485 254 N N 5.052 123.796 118.700 0.073 0.000 2.492 254 N HA 0.026 4.765 4.740 -0.000 0.000 0.262 254 N C 0.823 176.389 175.510 0.094 0.000 1.202 254 N CA -0.165 52.919 53.050 0.058 0.000 0.926 254 N CB 1.584 40.096 38.487 0.042 0.000 1.078 254 N HN 0.388 nan 8.380 nan 0.000 0.454 255 V N 3.067 123.031 119.914 0.083 0.000 2.379 255 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 255 V C 2.118 178.262 176.094 0.083 0.000 1.044 255 V CA 1.860 64.224 62.300 0.106 0.000 1.036 255 V CB -1.099 30.747 31.823 0.038 0.000 0.664 255 V HN 0.809 nan 8.190 nan 0.000 0.453 256 H N 1.232 120.306 119.070 0.008 0.000 2.253 256 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 256 H C 2.419 177.748 175.328 0.002 0.000 1.074 256 H CA 2.247 58.291 56.048 -0.006 0.000 1.263 256 H CB -0.535 29.211 29.762 -0.026 0.000 1.363 256 H HN 0.338 nan 8.280 nan 0.000 0.489 257 S N 0.603 116.118 115.700 -0.308 0.000 2.378 257 S HA -0.308 4.162 4.470 -0.000 0.000 0.229 257 S C 2.466 176.960 174.600 -0.176 0.000 1.052 257 S CA 1.578 59.619 58.200 -0.265 0.000 1.084 257 S CB -1.064 62.087 63.200 -0.082 0.000 0.950 257 S HN 0.729 nan 8.310 nan 0.000 0.440 258 A N 1.833 124.611 122.820 -0.070 0.000 1.883 258 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 258 A C 2.195 179.745 177.584 -0.056 0.000 1.186 258 A CA 1.715 53.724 52.037 -0.045 0.000 0.624 258 A CB -0.576 18.451 19.000 0.045 0.000 0.822 258 A HN 0.477 nan 8.150 nan 0.000 0.444 259 R N -0.765 119.710 120.500 -0.043 0.000 2.120 259 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 259 R C 2.338 178.591 176.300 -0.079 0.000 1.123 259 R CA 1.490 57.573 56.100 -0.028 0.000 0.975 259 R CB -0.239 30.064 30.300 0.005 0.000 0.866 259 R HN 0.561 nan 8.270 nan 0.000 0.446 260 K N 0.560 120.853 120.400 -0.180 0.000 2.057 260 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 260 K C 1.550 178.084 176.600 -0.110 0.000 1.050 260 K CA 1.291 57.471 56.287 -0.179 0.000 0.935 260 K CB 0.091 32.393 32.500 -0.330 0.000 0.715 260 K HN 0.066 nan 8.250 nan 0.000 0.439 261 N N 1.082 119.718 118.700 -0.107 0.000 2.223 261 N HA -0.137 4.602 4.740 -0.000 0.000 0.185 261 N C 1.696 177.172 175.510 -0.056 0.000 1.016 261 N CA 0.912 53.915 53.050 -0.079 0.000 0.863 261 N CB -0.184 38.256 38.487 -0.080 0.000 0.983 261 N HN 0.188 nan 8.380 nan 0.000 0.429 262 L N -0.200 120.996 121.223 -0.046 0.000 2.141 262 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 262 L C 2.317 179.194 176.870 0.010 0.000 1.094 262 L CA 1.114 55.941 54.840 -0.022 0.000 0.763 262 L CB -0.721 41.331 42.059 -0.012 0.000 0.908 262 L HN 0.215 nan 8.230 nan 0.000 0.437 263 G N 0.012 108.824 108.800 0.019 0.000 2.404 263 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 263 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 263 G C 1.675 176.602 174.900 0.044 0.000 1.174 263 G CA 0.300 45.453 45.100 0.089 0.000 0.780 263 G HN 0.257 nan 8.290 nan 0.000 0.537 264 K N -0.397 119.983 120.400 -0.034 0.000 2.097 264 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 264 K C 2.598 179.153 176.600 -0.075 0.000 1.049 264 K CA 1.070 57.307 56.287 -0.083 0.000 0.933 264 K CB -0.174 32.278 32.500 -0.079 0.000 0.717 264 K HN 0.197 nan 8.250 nan 0.000 0.442 265 M N 0.287 119.861 119.600 -0.042 0.000 2.175 265 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 265 M C 2.202 178.496 176.300 -0.011 0.000 1.063 265 M CA 1.128 56.408 55.300 -0.034 0.000 1.119 265 M CB -0.873 31.710 32.600 -0.029 0.000 1.377 265 M HN 0.122 nan 8.290 nan 0.000 0.415 266 L N 0.764 122.010 121.223 0.039 0.000 2.093 266 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 266 L C 2.489 179.431 176.870 0.121 0.000 1.085 266 L CA 1.815 56.728 54.840 0.121 0.000 0.755 266 L CB -0.973 41.213 42.059 0.210 0.000 0.904 266 L HN 0.236 nan 8.230 nan 0.000 0.435 267 A N -0.431 122.327 122.820 -0.103 0.000 1.902 267 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 267 A C 2.166 179.627 177.584 -0.207 0.000 1.181 267 A CA 1.795 53.547 52.037 -0.475 0.000 0.623 267 A CB -0.657 17.925 19.000 -0.696 0.000 0.818 267 A HN 0.744 nan 8.150 nan 0.000 0.443 268 Q N -1.118 118.609 119.800 -0.123 0.000 2.389 268 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 268 Q C 1.408 177.384 176.000 -0.040 0.000 0.944 268 Q CA 1.150 56.904 55.803 -0.080 0.000 0.908 268 Q CB -0.164 28.533 28.738 -0.069 0.000 1.002 268 Q HN 0.732 nan 8.270 nan 0.000 0.493 269 E N 1.219 121.409 120.200 -0.016 0.000 2.170 269 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 269 E C -0.081 176.531 176.600 0.020 0.000 0.981 269 E CA 0.959 57.362 56.400 0.005 0.000 0.830 269 E CB 0.566 30.278 29.700 0.019 0.000 0.775 269 E HN 0.413 nan 8.360 nan 0.000 0.470 270 S N -0.124 115.601 115.700 0.043 0.000 2.413 270 S HA 0.589 5.059 4.470 -0.000 0.000 0.170 270 S C -0.538 174.128 174.600 0.111 0.000 1.294 270 S CA -0.887 57.350 58.200 0.063 0.000 1.201 270 S CB 1.205 64.449 63.200 0.073 0.000 1.328 270 S HN 0.179 nan 8.310 nan 0.000 0.418 271 A N 1.939 124.781 122.820 0.037 0.000 2.301 271 A HA 0.865 5.185 4.320 -0.000 0.000 0.312 271 A C -0.137 177.470 177.584 0.038 0.000 1.182 271 A CA -0.775 51.283 52.037 0.035 0.000 0.826 271 A CB 1.312 20.265 19.000 -0.078 0.000 1.134 271 A HN 0.952 nan 8.150 nan 0.000 0.501 272 V N 1.552 121.515 119.914 0.081 0.000 3.019 272 V HA 0.454 4.574 4.120 -0.000 0.000 0.317 272 V C -0.154 175.935 176.094 -0.008 0.000 1.094 272 V CA -0.699 61.575 62.300 -0.043 0.000 1.000 272 V CB 1.922 33.634 31.823 -0.185 0.000 1.060 272 V HN 0.979 nan 8.190 nan 0.000 0.443 273 E N 2.603 122.779 120.200 -0.040 0.000 2.081 273 E HA 0.681 5.031 4.350 -0.000 0.000 0.276 273 E C -0.660 175.963 176.600 0.038 0.000 0.950 273 E CA -0.119 56.286 56.400 0.007 0.000 0.776 273 E CB 1.322 31.023 29.700 0.002 0.000 1.094 273 E HN 0.871 nan 8.360 nan 0.000 0.402 274 A N 3.832 126.696 122.820 0.073 0.000 2.535 274 A HA 0.374 4.693 4.320 -0.000 0.000 0.296 274 A C -0.332 177.299 177.584 0.079 0.000 1.248 274 A CA -0.570 51.532 52.037 0.108 0.000 0.686 274 A CB 1.213 20.316 19.000 0.172 0.000 1.315 274 A HN 0.652 nan 8.150 nan 0.000 0.460 275 D N -1.117 119.325 120.400 0.069 0.000 2.431 275 D HA 0.266 4.906 4.640 -0.000 0.000 0.227 275 D C -0.262 176.065 176.300 0.046 0.000 1.030 275 D CA 1.013 55.041 54.000 0.047 0.000 0.897 275 D CB 1.128 41.946 40.800 0.030 0.000 1.058 275 D HN 0.150 nan 8.370 nan 0.000 0.500 276 V N 1.466 121.409 119.914 0.049 0.000 2.760 276 V HA 0.272 4.392 4.120 -0.000 0.000 0.309 276 V C -0.568 175.561 176.094 0.059 0.000 1.077 276 V CA -0.779 61.543 62.300 0.037 0.000 0.910 276 V CB 3.040 34.861 31.823 -0.002 0.000 1.008 276 V HN -0.237 nan 8.190 nan 0.000 0.424 277 V N 3.441 123.412 119.914 0.096 0.000 2.483 277 V HA 0.679 4.799 4.120 -0.000 0.000 0.295 277 V C 0.081 176.234 176.094 0.097 0.000 1.035 277 V CA -0.248 62.133 62.300 0.135 0.000 0.896 277 V CB 1.880 33.867 31.823 0.273 0.000 0.986 277 V HN 0.908 nan 8.190 nan 0.000 0.447 278 T N 3.158 117.749 114.554 0.060 0.000 2.916 278 T HA 0.668 5.018 4.350 -0.000 0.000 0.298 278 T C 0.172 174.933 174.700 0.102 0.000 1.031 278 T CA 0.092 62.202 62.100 0.016 0.000 0.993 278 T CB 1.389 70.220 68.868 -0.062 0.000 1.045 278 T HN 0.967 nan 8.240 nan 0.000 0.454 279 G N 1.759 110.683 108.800 0.207 0.000 2.543 279 G HA2 0.589 4.548 3.960 -0.000 0.000 0.290 279 G HA3 0.589 4.548 3.960 -0.000 0.000 0.290 279 G C -0.730 174.208 174.900 0.063 0.000 1.310 279 G CA -0.436 44.748 45.100 0.141 0.000 1.025 279 G HN 0.727 nan 8.290 nan 0.000 0.502 280 V N 1.222 121.163 119.914 0.045 0.000 2.435 280 V HA 0.301 4.421 4.120 -0.000 0.000 0.290 280 V C -2.080 174.036 176.094 0.036 0.000 1.030 280 V CA -1.322 60.991 62.300 0.022 0.000 0.881 280 V CB 2.083 33.911 31.823 0.009 0.000 0.983 280 V HN 0.465 nan 8.190 nan 0.000 0.445 281 P HA 0.223 nan 4.420 nan 0.000 0.271 281 P C -0.040 177.270 177.300 0.017 0.000 1.226 281 P CA 0.677 63.788 63.100 0.018 0.000 0.765 281 P CB 0.546 32.244 31.700 -0.003 0.000 0.835 282 D N 0.826 121.238 120.400 0.020 0.000 3.429 282 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 282 D C 1.500 177.827 176.300 0.046 0.000 1.351 282 D CA 2.510 56.518 54.000 0.013 0.000 2.227 282 D CB -1.738 39.055 40.800 -0.012 0.000 1.277 282 D HN 0.444 nan 8.370 nan 0.000 0.455 283 S N -0.487 115.266 115.700 0.089 0.000 2.428 283 S HA -0.009 4.461 4.470 -0.000 0.000 0.230 283 S C 1.224 175.902 174.600 0.130 0.000 1.014 283 S CA 1.759 60.055 58.200 0.159 0.000 0.957 283 S CB 0.050 63.383 63.200 0.222 0.000 0.784 283 S HN 0.584 nan 8.310 nan 0.000 0.499 284 S N -0.055 115.697 115.700 0.086 0.000 2.902 284 S HA 0.439 4.908 4.470 -0.000 0.000 0.250 284 S C 0.847 175.490 174.600 0.072 0.000 1.046 284 S CA -0.654 57.589 58.200 0.072 0.000 1.069 284 S CB -0.115 63.114 63.200 0.047 0.000 0.967 284 S HN 0.246 nan 8.310 nan 0.000 0.530 285 I N 2.665 123.284 120.570 0.081 0.000 2.058 285 I HA -0.147 4.023 4.170 -0.000 0.000 0.235 285 I C 2.623 178.745 176.117 0.008 0.000 1.053 285 I CA 1.470 62.824 61.300 0.089 0.000 1.313 285 I CB -1.925 36.128 38.000 0.089 0.000 1.039 285 I HN 0.356 nan 8.210 nan 0.000 0.396 286 S N 1.368 117.094 115.700 0.043 0.000 2.372 286 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 286 S C 2.193 176.772 174.600 -0.035 0.000 1.044 286 S CA 1.705 59.927 58.200 0.037 0.000 1.050 286 S CB -0.733 62.525 63.200 0.096 0.000 0.901 286 S HN 0.591 nan 8.310 nan 0.000 0.447 287 A N 1.458 124.276 122.820 -0.004 0.000 1.940 287 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 287 A C 2.361 179.957 177.584 0.020 0.000 1.176 287 A CA 1.778 53.818 52.037 0.005 0.000 0.631 287 A CB -1.035 17.980 19.000 0.025 0.000 0.814 287 A HN 0.562 nan 8.150 nan 0.000 0.446 288 A N -0.133 122.690 122.820 0.006 0.000 1.929 288 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 288 A C 2.075 179.601 177.584 -0.096 0.000 1.176 288 A CA 1.276 53.335 52.037 0.036 0.000 0.628 288 A CB -0.553 18.537 19.000 0.151 0.000 0.816 288 A HN 0.490 nan 8.150 nan 0.000 0.444 289 I N -0.120 120.233 120.570 -0.362 0.000 2.127 289 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 289 I C 2.732 178.755 176.117 -0.157 0.000 1.075 289 I CA 1.369 62.394 61.300 -0.458 0.000 1.334 289 I CB -0.717 37.065 38.000 -0.363 0.000 1.040 289 I HN 0.384 nan 8.210 nan 0.000 0.405 290 G N -0.395 108.353 108.800 -0.086 0.000 2.421 290 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.216 290 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.216 290 G C 1.647 176.540 174.900 -0.012 0.000 1.171 290 G CA 0.756 45.824 45.100 -0.053 0.000 0.775 290 G HN 0.355 nan 8.290 nan 0.000 0.543 291 Y N 2.002 122.266 120.300 -0.059 0.000 2.081 291 Y HA -0.115 4.435 4.550 -0.000 0.000 0.280 291 Y C 3.000 178.891 175.900 -0.016 0.000 1.163 291 Y CA 1.870 59.951 58.100 -0.031 0.000 1.135 291 Y CB -0.463 37.988 38.460 -0.014 0.000 0.970 291 Y HN 0.268 nan 8.280 nan 0.000 0.498 292 A N 0.427 123.380 122.820 0.222 0.000 1.841 292 A HA -0.272 4.047 4.320 -0.000 0.000 0.216 292 A C 2.083 179.687 177.584 0.034 0.000 1.199 292 A CA 2.197 54.335 52.037 0.169 0.000 0.621 292 A CB -1.004 18.114 19.000 0.196 0.000 0.835 292 A HN 0.652 nan 8.150 nan 0.000 0.445 293 E N -0.298 119.899 120.200 -0.005 0.000 2.097 293 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 293 E C 2.293 178.854 176.600 -0.066 0.000 1.000 293 E CA 1.059 57.441 56.400 -0.029 0.000 0.804 293 E CB -0.374 29.304 29.700 -0.038 0.000 0.740 293 E HN 0.631 nan 8.360 nan 0.000 0.454 294 A N 0.629 123.382 122.820 -0.113 0.000 1.908 294 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 294 A C 2.338 179.813 177.584 -0.182 0.000 1.181 294 A CA 1.965 53.905 52.037 -0.162 0.000 0.627 294 A CB -0.554 18.303 19.000 -0.237 0.000 0.818 294 A HN 0.195 nan 8.150 nan 0.000 0.445 295 T N -2.290 112.136 114.554 -0.214 0.000 3.037 295 T HA 0.362 4.712 4.350 -0.000 0.000 0.251 295 T C 1.282 175.941 174.700 -0.068 0.000 1.079 295 T CA 1.297 63.284 62.100 -0.188 0.000 1.067 295 T CB -0.127 68.526 68.868 -0.359 0.000 0.948 295 T HN 1.446 nan 8.240 nan 0.000 0.496 296 G N 1.482 110.263 108.800 -0.032 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 0.177 175.094 174.900 0.029 0.000 0.975 296 G CA 0.185 45.284 45.100 -0.001 0.000 0.642 296 G HN 0.580 nan 8.290 nan 0.000 0.536 297 I N 3.270 123.873 120.570 0.055 0.000 2.371 297 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 297 I C -1.361 174.820 176.117 0.106 0.000 1.028 297 I CA -2.195 59.156 61.300 0.086 0.000 1.345 297 I CB 1.228 39.306 38.000 0.131 0.000 1.407 297 I HN -0.050 nan 8.210 nan 0.000 0.501 298 P HA -0.056 nan 4.420 nan 0.000 0.271 298 P C -1.226 176.155 177.300 0.135 0.000 1.216 298 P CA -0.031 63.130 63.100 0.102 0.000 0.776 298 P CB 0.576 32.311 31.700 0.059 0.000 0.881 299 Y N 3.217 123.538 120.300 0.034 0.000 2.365 299 Y HA 0.267 4.817 4.550 -0.000 0.000 0.340 299 Y C 0.063 175.975 175.900 0.020 0.000 1.016 299 Y CA 0.022 58.142 58.100 0.033 0.000 1.196 299 Y CB 0.588 39.071 38.460 0.038 0.000 1.167 299 Y HN 0.302 nan 8.280 nan 0.000 0.509 300 E N 4.518 124.393 120.200 -0.542 0.000 2.355 300 E HA 0.384 4.734 4.350 -0.000 0.000 0.261 300 E C -1.489 174.730 176.600 -0.635 0.000 0.943 300 E CA -0.975 55.154 56.400 -0.452 0.000 0.806 300 E CB 1.836 31.411 29.700 -0.209 0.000 1.286 300 E HN 0.573 nan 8.360 nan 0.000 0.424 301 L N 1.319 122.329 121.223 -0.355 0.000 2.504 301 L HA 0.340 4.680 4.340 -0.000 0.000 0.249 301 L C 1.176 177.952 176.870 -0.157 0.000 1.120 301 L CA 0.140 54.826 54.840 -0.257 0.000 0.997 301 L CB 0.602 42.562 42.059 -0.165 0.000 1.349 301 L HN 0.758 nan 8.230 nan 0.000 0.439 302 G N 1.681 110.393 108.800 -0.147 0.000 2.813 302 G HA2 0.156 4.116 3.960 -0.000 0.000 0.209 302 G HA3 0.156 4.116 3.960 -0.000 0.000 0.209 302 G C 0.513 175.372 174.900 -0.067 0.000 1.150 302 G CA 0.211 45.255 45.100 -0.093 0.000 0.785 302 G HN 0.317 nan 8.290 nan 0.000 0.535 303 L N 0.742 121.928 121.223 -0.063 0.000 2.381 303 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 303 L C -0.909 175.938 176.870 -0.038 0.000 0.997 303 L CA -0.920 53.895 54.840 -0.043 0.000 0.818 303 L CB 2.622 44.661 42.059 -0.034 0.000 1.310 303 L HN -0.134 nan 8.230 nan 0.000 0.416 304 I N 2.188 122.740 120.570 -0.031 0.000 2.689 304 I HA 0.382 4.552 4.170 -0.000 0.000 0.299 304 I C -0.436 175.663 176.117 -0.030 0.000 1.059 304 I CA -0.688 60.595 61.300 -0.029 0.000 1.055 304 I CB 2.337 40.322 38.000 -0.025 0.000 1.243 304 I HN 0.564 nan 8.210 nan 0.000 0.425 305 K N 4.311 124.690 120.400 -0.036 0.000 2.235 305 K HA 0.259 4.579 4.320 -0.000 0.000 0.266 305 K C -0.290 176.272 176.600 -0.063 0.000 0.980 305 K CA -0.558 55.700 56.287 -0.049 0.000 0.849 305 K CB 1.060 33.529 32.500 -0.051 0.000 1.098 305 K HN 0.480 nan 8.250 nan 0.000 0.445 306 N N 3.514 122.168 118.700 -0.077 0.000 2.442 306 N HA 0.058 4.797 4.740 -0.000 0.000 0.265 306 N C 0.154 175.585 175.510 -0.131 0.000 1.138 306 N CA 0.173 53.180 53.050 -0.072 0.000 0.956 306 N CB 0.765 39.197 38.487 -0.091 0.000 1.067 306 N HN 0.604 nan 8.380 nan 0.000 0.474 307 R N 2.943 123.326 120.500 -0.196 0.000 2.357 307 R HA -0.072 4.268 4.340 -0.000 0.000 0.202 307 R C 0.016 175.957 176.300 -0.598 0.000 1.047 307 R CA 0.976 56.812 56.100 -0.439 0.000 1.034 307 R CB 0.069 29.954 30.300 -0.692 0.000 0.875 307 R HN 0.644 nan 8.270 nan 0.000 0.473 308 Y N -0.837 119.402 120.300 -0.103 0.000 2.672 308 Y HA 0.118 4.668 4.550 -0.000 0.000 0.252 308 Y C 0.634 176.443 175.900 -0.153 0.000 1.132 308 Y CA -0.933 57.118 58.100 -0.082 0.000 1.228 308 Y CB 0.500 38.937 38.460 -0.038 0.000 1.310 308 Y HN -0.198 nan 8.280 nan 0.000 0.549 309 V N -0.565 119.230 119.914 -0.199 0.000 3.096 309 V HA 0.867 4.987 4.120 -0.000 0.000 0.306 309 V C 0.529 176.561 176.094 -0.104 0.000 1.088 309 V CA 0.393 62.431 62.300 -0.437 0.000 1.129 309 V CB 0.807 32.279 31.823 -0.584 0.000 1.014 309 V HN 0.304 nan 8.190 nan 0.000 0.486 310 G N 3.119 111.950 108.800 0.052 0.000 2.428 310 G HA2 0.368 4.328 3.960 -0.000 0.000 0.304 310 G HA3 0.368 4.328 3.960 -0.000 0.000 0.304 310 G C -0.027 174.959 174.900 0.144 0.000 1.303 310 G CA -0.422 44.732 45.100 0.090 0.000 0.825 310 G HN 1.008 nan 8.290 nan 0.000 0.484 311 R N -1.340 119.218 120.500 0.096 0.000 2.235 311 R HA 0.107 4.447 4.340 -0.000 0.000 0.213 311 R C 1.387 177.742 176.300 0.091 0.000 1.059 311 R CA 2.063 58.213 56.100 0.083 0.000 0.997 311 R CB -0.403 29.926 30.300 0.049 0.000 0.884 311 R HN 0.300 nan 8.270 nan 0.000 0.462 312 T N -0.129 114.493 114.554 0.113 0.000 3.044 312 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 312 T C 0.013 174.787 174.700 0.122 0.000 1.081 312 T CA -0.329 61.828 62.100 0.095 0.000 1.040 312 T CB -0.087 68.833 68.868 0.086 0.000 0.962 312 T HN 0.221 nan 8.240 nan 0.000 0.506 313 F N 3.320 123.288 119.950 0.029 0.000 2.543 313 F HA 0.338 4.865 4.527 -0.000 0.000 0.375 313 F C 0.045 175.857 175.800 0.020 0.000 1.075 313 F CA -1.752 56.266 58.000 0.029 0.000 1.225 313 F CB -0.058 38.966 39.000 0.039 0.000 1.099 313 F HN 0.020 nan 8.300 nan 0.000 0.561 314 I N 7.055 127.249 120.570 -0.628 0.000 2.505 314 I HA -0.008 4.162 4.170 -0.000 0.000 0.287 314 I C 0.144 175.825 176.117 -0.726 0.000 1.104 314 I CA -0.288 60.711 61.300 -0.501 0.000 1.387 314 I CB 0.146 37.943 38.000 -0.339 0.000 1.404 314 I HN 0.461 nan 8.210 nan 0.000 0.528 315 Q N 8.356 127.950 119.800 -0.344 0.000 2.332 315 Q HA 0.249 4.588 4.340 -0.000 0.000 0.263 315 Q C -1.950 173.961 176.000 -0.150 0.000 0.979 315 Q CA -1.619 54.074 55.803 -0.183 0.000 0.885 315 Q CB 0.205 28.935 28.738 -0.014 0.000 1.218 315 Q HN 0.413 nan 8.270 nan 0.000 0.405 316 P HA -0.015 nan 4.420 nan 0.000 0.269 316 P C -0.308 176.977 177.300 -0.024 0.000 1.209 316 P CA -0.075 62.996 63.100 -0.048 0.000 0.776 316 P CB 0.567 32.271 31.700 0.005 0.000 0.876 317 S N 1.516 117.201 115.700 -0.025 0.000 2.584 317 S HA -0.029 4.441 4.470 -0.000 0.000 0.270 317 S C 1.617 176.215 174.600 -0.003 0.000 1.346 317 S CA -0.524 57.667 58.200 -0.015 0.000 1.018 317 S CB 0.541 63.731 63.200 -0.017 0.000 0.899 317 S HN 0.603 nan 8.310 nan 0.000 0.542 318 Q N 1.792 121.592 119.800 -0.000 0.000 2.173 318 Q HA -0.235 4.105 4.340 -0.000 0.000 0.208 318 Q C 2.024 178.025 176.000 0.003 0.000 0.989 318 Q CA 2.324 58.129 55.803 0.003 0.000 0.872 318 Q CB -1.621 27.118 28.738 0.003 0.000 0.909 318 Q HN 0.913 nan 8.270 nan 0.000 0.420 319 A N 1.048 123.868 122.820 -0.000 0.000 1.877 319 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 319 A C 2.242 179.826 177.584 0.001 0.000 1.186 319 A CA 1.516 53.553 52.037 -0.000 0.000 0.620 319 A CB -0.695 18.303 19.000 -0.003 0.000 0.822 319 A HN 0.320 nan 8.150 nan 0.000 0.443 320 L N -0.757 120.466 121.223 0.000 0.000 2.093 320 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 320 L C 2.468 179.344 176.870 0.010 0.000 1.085 320 L CA 1.825 56.667 54.840 0.003 0.000 0.755 320 L CB -0.677 41.381 42.059 -0.001 0.000 0.904 320 L HN 0.370 nan 8.230 nan 0.000 0.435 321 R N 0.149 120.656 120.500 0.012 0.000 2.082 321 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 321 R C 2.083 178.390 176.300 0.011 0.000 1.136 321 R CA 1.863 57.973 56.100 0.016 0.000 0.935 321 R CB -0.351 29.959 30.300 0.016 0.000 0.842 321 R HN 0.569 nan 8.270 nan 0.000 0.430 322 E N 0.115 120.319 120.200 0.007 0.000 2.516 322 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 322 E C 1.317 177.919 176.600 0.004 0.000 1.069 322 E CA 0.714 57.117 56.400 0.005 0.000 0.876 322 E CB -0.029 29.673 29.700 0.003 0.000 0.843 322 E HN 0.524 nan 8.360 nan 0.000 0.530 323 Q N 0.141 119.944 119.800 0.005 0.000 2.389 323 Q HA 0.052 4.392 4.340 -0.000 0.000 0.204 323 Q C 0.863 176.867 176.000 0.006 0.000 0.944 323 Q CA 0.775 56.581 55.803 0.004 0.000 0.908 323 Q CB 0.480 29.221 28.738 0.004 0.000 1.002 323 Q HN 0.581 nan 8.270 nan 0.000 0.493 324 G N 0.112 108.917 108.800 0.009 0.000 2.164 324 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.154 324 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.154 324 G C -0.086 174.824 174.900 0.017 0.000 1.014 324 G CA -0.245 44.861 45.100 0.010 0.000 0.683 324 G HN 0.127 nan 8.290 nan 0.000 0.500 325 V N 2.743 122.671 119.914 0.023 0.000 2.508 325 V HA 0.462 4.582 4.120 -0.000 0.000 0.281 325 V C 0.846 176.969 176.094 0.049 0.000 1.041 325 V CA -0.484 61.839 62.300 0.037 0.000 1.016 325 V CB 0.932 32.779 31.823 0.039 0.000 0.984 325 V HN 0.315 nan 8.190 nan 0.000 0.478 326 R N 4.222 124.756 120.500 0.055 0.000 2.500 326 R HA 0.586 4.926 4.340 -0.000 0.000 0.275 326 R C 0.222 176.580 176.300 0.097 0.000 1.051 326 R CA -0.385 55.749 56.100 0.056 0.000 1.088 326 R CB 1.113 31.433 30.300 0.033 0.000 1.063 326 R HN 0.671 nan 8.270 nan 0.000 0.511 327 M N 0.765 120.415 119.600 0.083 0.000 2.697 327 M HA 0.203 4.682 4.480 -0.000 0.000 0.168 327 M C 1.769 178.043 176.300 -0.043 0.000 1.462 327 M CA 0.409 55.778 55.300 0.115 0.000 1.395 327 M CB -0.115 32.576 32.600 0.152 0.000 0.849 327 M HN 0.395 nan 8.290 nan 0.000 0.492 328 K N -0.127 120.235 120.400 -0.063 0.000 2.314 328 K HA 0.183 4.502 4.320 -0.000 0.000 0.198 328 K C -0.604 175.957 176.600 -0.065 0.000 1.045 328 K CA 0.447 56.668 56.287 -0.110 0.000 0.988 328 K CB 0.603 33.049 32.500 -0.090 0.000 0.783 328 K HN 0.103 nan 8.250 nan 0.000 0.484 329 L N 0.184 121.387 121.223 -0.034 0.000 2.409 329 L HA 0.332 4.672 4.340 -0.000 0.000 0.262 329 L C -1.281 175.580 176.870 -0.016 0.000 0.992 329 L CA -0.353 54.471 54.840 -0.026 0.000 0.817 329 L CB 2.212 44.258 42.059 -0.022 0.000 1.350 329 L HN 0.109 nan 8.230 nan 0.000 0.411 330 S N 2.052 117.741 115.700 -0.018 0.000 2.588 330 S HA 0.970 5.440 4.470 -0.000 0.000 0.275 330 S C -0.707 173.880 174.600 -0.021 0.000 1.130 330 S CA -0.380 57.811 58.200 -0.014 0.000 0.855 330 S CB 1.504 64.699 63.200 -0.008 0.000 1.116 330 S HN 0.947 nan 8.310 nan 0.000 0.472 331 A N 0.820 123.626 122.820 -0.023 0.000 2.287 331 A HA 0.734 5.054 4.320 -0.000 0.000 0.273 331 A C 0.278 177.844 177.584 -0.029 0.000 1.091 331 A CA -0.307 51.712 52.037 -0.030 0.000 0.817 331 A CB 0.427 19.408 19.000 -0.031 0.000 1.069 331 A HN 1.972 nan 8.150 nan 0.000 0.492 332 V N 1.193 121.086 119.914 -0.036 0.000 2.313 332 V HA 0.470 4.590 4.120 -0.000 0.000 0.278 332 V C 1.046 177.121 176.094 -0.032 0.000 1.017 332 V CA -0.319 61.961 62.300 -0.032 0.000 0.823 332 V CB 0.630 32.430 31.823 -0.038 0.000 1.010 332 V HN 1.059 nan 8.190 nan 0.000 0.443 333 R N 4.611 125.096 120.500 -0.025 0.000 2.119 333 R HA -0.116 4.223 4.340 -0.000 0.000 0.246 333 R C 1.924 178.210 176.300 -0.023 0.000 1.146 333 R CA 2.555 58.641 56.100 -0.023 0.000 0.962 333 R CB -0.726 29.564 30.300 -0.017 0.000 0.863 333 R HN 0.915 nan 8.270 nan 0.000 0.442 334 G N -0.774 108.013 108.800 -0.023 0.000 2.479 334 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.220 334 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.220 334 G C 1.165 176.049 174.900 -0.027 0.000 1.115 334 G CA 1.021 46.108 45.100 -0.022 0.000 0.757 334 G HN 0.297 nan 8.290 nan 0.000 0.560 335 V N -0.008 119.885 119.914 -0.035 0.000 2.908 335 V HA -0.014 4.106 4.120 -0.000 0.000 0.240 335 V C 2.746 178.818 176.094 -0.037 0.000 1.117 335 V CA 1.153 63.428 62.300 -0.041 0.000 1.133 335 V CB 0.733 32.519 31.823 -0.061 0.000 0.857 335 V HN 0.315 nan 8.190 nan 0.000 0.478 336 V N -1.488 118.404 119.914 -0.037 0.000 3.235 336 V HA 0.161 4.281 4.120 -0.000 0.000 0.259 336 V C 1.035 177.112 176.094 -0.028 0.000 1.133 336 V CA 0.484 62.764 62.300 -0.035 0.000 1.128 336 V CB -0.481 31.318 31.823 -0.040 0.000 0.757 336 V HN 0.539 nan 8.190 nan 0.000 0.469 337 E N 1.395 121.580 120.200 -0.025 0.000 2.493 337 E HA 0.334 4.684 4.350 -0.000 0.000 0.255 337 E C 1.321 177.911 176.600 -0.017 0.000 0.999 337 E CA 0.826 57.214 56.400 -0.021 0.000 0.934 337 E CB -0.016 29.674 29.700 -0.018 0.000 0.940 337 E HN 0.763 nan 8.360 nan 0.000 0.473 338 G N 3.532 112.322 108.800 -0.017 0.000 2.159 338 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.256 338 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.256 338 G C 0.148 175.042 174.900 -0.011 0.000 0.977 338 G CA 0.626 45.718 45.100 -0.013 0.000 0.652 338 G HN 0.482 nan 8.290 nan 0.000 0.531 339 K N -0.181 120.210 120.400 -0.015 0.000 2.185 339 K HA 0.782 5.102 4.320 -0.000 0.000 0.240 339 K C 0.414 177.005 176.600 -0.014 0.000 0.983 339 K CA -0.817 55.464 56.287 -0.009 0.000 0.873 339 K CB 0.739 33.233 32.500 -0.011 0.000 1.118 339 K HN 0.238 nan 8.250 nan 0.000 0.441 340 R N 0.804 121.306 120.500 0.004 0.000 2.265 340 R HA 0.440 4.779 4.340 -0.000 0.000 0.328 340 R C -0.899 175.416 176.300 0.026 0.000 0.969 340 R CA -0.771 55.334 56.100 0.008 0.000 0.832 340 R CB 1.199 31.542 30.300 0.072 0.000 1.139 340 R HN 0.161 nan 8.270 nan 0.000 0.457 341 V N 4.069 123.972 119.914 -0.019 0.000 2.532 341 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 341 V C 0.062 176.165 176.094 0.014 0.000 1.041 341 V CA -0.798 61.495 62.300 -0.011 0.000 0.926 341 V CB 1.892 33.685 31.823 -0.049 0.000 0.992 341 V HN 0.561 nan 8.190 nan 0.000 0.457 342 V N 3.470 123.393 119.914 0.014 0.000 2.459 342 V HA 0.681 4.800 4.120 -0.000 0.000 0.295 342 V C -0.440 175.599 176.094 -0.092 0.000 1.029 342 V CA -0.627 61.650 62.300 -0.038 0.000 0.874 342 V CB 1.719 33.468 31.823 -0.123 0.000 0.985 342 V HN 0.863 nan 8.190 nan 0.000 0.438 343 M N 5.841 125.372 119.600 -0.115 0.000 2.114 343 M HA 0.604 5.084 4.480 -0.000 0.000 0.332 343 M C -1.660 174.546 176.300 -0.156 0.000 1.014 343 M CA -0.389 54.849 55.300 -0.105 0.000 0.956 343 M CB 1.574 34.121 32.600 -0.089 0.000 1.551 343 M HN 0.693 nan 8.290 nan 0.000 0.427 344 V N 4.811 124.640 119.914 -0.142 0.000 2.384 344 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 344 V C -0.488 175.554 176.094 -0.087 0.000 1.020 344 V CA -0.665 61.536 62.300 -0.166 0.000 0.850 344 V CB 1.663 33.385 31.823 -0.168 0.000 0.987 344 V HN 0.742 nan 8.190 nan 0.000 0.436 345 D N 2.124 122.466 120.400 -0.096 0.000 2.527 345 D HA 0.272 4.912 4.640 -0.000 0.000 0.233 345 D C 0.641 176.916 176.300 -0.042 0.000 1.063 345 D CA -0.466 53.500 54.000 -0.057 0.000 0.880 345 D CB 2.478 43.233 40.800 -0.076 0.000 1.457 345 D HN 0.652 nan 8.370 nan 0.000 0.475 346 D N 0.292 120.696 120.400 0.006 0.000 2.149 346 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 346 D C 0.134 176.454 176.300 0.033 0.000 0.972 346 D CA 0.532 54.558 54.000 0.043 0.000 0.835 346 D CB 0.118 40.992 40.800 0.123 0.000 0.966 346 D HN 0.245 nan 8.370 nan 0.000 0.476 347 S N -0.919 114.780 115.700 -0.003 0.000 2.570 347 S HA 0.620 5.090 4.470 -0.000 0.000 0.270 347 S C -0.903 173.693 174.600 -0.005 0.000 1.149 347 S CA -1.068 57.151 58.200 0.031 0.000 0.837 347 S CB 1.694 64.919 63.200 0.041 0.000 1.124 347 S HN 0.152 nan 8.310 nan 0.000 0.465 348 I N 2.403 123.020 120.570 0.079 0.000 2.389 348 I HA 0.409 4.578 4.170 -0.000 0.000 0.288 348 I C 0.032 176.193 176.117 0.075 0.000 0.999 348 I CA -0.662 60.673 61.300 0.060 0.000 1.129 348 I CB 1.864 39.931 38.000 0.112 0.000 1.288 348 I HN 0.599 nan 8.210 nan 0.000 0.444 349 V N 5.631 125.544 119.914 -0.001 0.000 2.868 349 V HA 0.102 4.222 4.120 -0.000 0.000 0.227 349 V C 1.793 177.866 176.094 -0.036 0.000 1.136 349 V CA 0.548 62.834 62.300 -0.024 0.000 1.206 349 V CB -0.221 31.559 31.823 -0.070 0.000 0.997 349 V HN 0.694 nan 8.190 nan 0.000 0.505 350 R N 0.492 120.958 120.500 -0.057 0.000 2.246 350 R HA 0.299 4.639 4.340 -0.000 0.000 0.199 350 R C 1.660 177.927 176.300 -0.055 0.000 0.984 350 R CA 0.804 56.868 56.100 -0.061 0.000 1.015 350 R CB 0.101 30.356 30.300 -0.075 0.000 0.930 350 R HN 0.677 nan 8.270 nan 0.000 0.475 351 G N 0.171 108.945 108.800 -0.044 0.000 2.205 351 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.261 351 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.261 351 G C 0.977 175.847 174.900 -0.051 0.000 0.980 351 G CA 0.851 45.922 45.100 -0.049 0.000 0.632 351 G HN 0.330 nan 8.290 nan 0.000 0.533 352 T N 1.157 115.683 114.554 -0.047 0.000 2.614 352 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 352 T C 2.569 177.249 174.700 -0.034 0.000 1.055 352 T CA 2.551 64.629 62.100 -0.037 0.000 1.162 352 T CB -0.753 68.097 68.868 -0.030 0.000 0.863 352 T HN 0.503 nan 8.240 nan 0.000 0.414 353 T N 2.715 117.248 114.554 -0.034 0.000 2.635 353 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 353 T C 2.465 177.142 174.700 -0.038 0.000 1.040 353 T CA 1.863 63.943 62.100 -0.032 0.000 1.156 353 T CB -0.688 68.160 68.868 -0.034 0.000 0.863 353 T HN 0.579 nan 8.240 nan 0.000 0.430 354 S N 1.755 117.425 115.700 -0.049 0.000 2.399 354 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 354 S C 2.005 176.574 174.600 -0.051 0.000 1.022 354 S CA 0.989 59.155 58.200 -0.057 0.000 0.983 354 S CB -0.445 62.711 63.200 -0.073 0.000 0.803 354 S HN 0.481 nan 8.310 nan 0.000 0.480 355 R N 1.526 121.999 120.500 -0.046 0.000 2.073 355 R HA -0.023 4.316 4.340 -0.000 0.000 0.234 355 R C 2.568 178.848 176.300 -0.034 0.000 1.134 355 R CA 1.339 57.414 56.100 -0.041 0.000 0.952 355 R CB -0.168 30.109 30.300 -0.039 0.000 0.850 355 R HN 0.369 nan 8.270 nan 0.000 0.433 356 R N 0.019 120.502 120.500 -0.029 0.000 2.075 356 R HA -0.036 4.303 4.340 -0.000 0.000 0.232 356 R C 2.351 178.634 176.300 -0.027 0.000 1.126 356 R CA 1.767 57.853 56.100 -0.023 0.000 0.963 356 R CB -0.257 30.034 30.300 -0.016 0.000 0.858 356 R HN 0.300 nan 8.270 nan 0.000 0.435 357 I N 0.075 120.625 120.570 -0.033 0.000 2.315 357 I HA -0.223 3.946 4.170 -0.000 0.000 0.248 357 I C 2.108 178.200 176.117 -0.043 0.000 1.117 357 I CA 0.938 62.216 61.300 -0.036 0.000 1.404 357 I CB -0.175 37.801 38.000 -0.040 0.000 1.071 357 I HN -0.001 nan 8.210 nan 0.000 0.419 358 V N 0.680 120.564 119.914 -0.049 0.000 2.343 358 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 358 V C 2.510 178.576 176.094 -0.047 0.000 1.051 358 V CA 2.397 64.664 62.300 -0.055 0.000 1.036 358 V CB -0.945 30.843 31.823 -0.059 0.000 0.654 358 V HN 0.464 nan 8.190 nan 0.000 0.451 359 T N 0.258 114.790 114.554 -0.037 0.000 2.580 359 T HA -0.279 4.070 4.350 -0.000 0.000 0.265 359 T C 1.904 176.587 174.700 -0.028 0.000 1.063 359 T CA 2.244 64.326 62.100 -0.030 0.000 1.170 359 T CB -0.361 68.493 68.868 -0.023 0.000 0.863 359 T HN 0.339 nan 8.240 nan 0.000 0.418 360 M N 0.221 119.805 119.600 -0.026 0.000 2.106 360 M HA -0.102 4.378 4.480 -0.000 0.000 0.259 360 M C 2.289 178.572 176.300 -0.028 0.000 1.068 360 M CA 1.354 56.640 55.300 -0.023 0.000 1.100 360 M CB -0.586 32.002 32.600 -0.021 0.000 1.351 360 M HN 0.132 nan 8.290 nan 0.000 0.404 361 L N 0.326 121.527 121.223 -0.036 0.000 2.131 361 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 361 L C 2.478 179.322 176.870 -0.044 0.000 1.092 361 L CA 1.842 56.656 54.840 -0.043 0.000 0.759 361 L CB -0.707 41.321 42.059 -0.052 0.000 0.903 361 L HN 0.212 nan 8.230 nan 0.000 0.435 362 R N -0.826 119.648 120.500 -0.043 0.000 2.073 362 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 362 R C 2.022 178.303 176.300 -0.031 0.000 1.120 362 R CA 1.163 57.239 56.100 -0.041 0.000 0.967 362 R CB -0.225 30.051 30.300 -0.040 0.000 0.862 362 R HN 0.459 nan 8.270 nan 0.000 0.436 363 E N 0.692 120.877 120.200 -0.026 0.000 2.118 363 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 363 E C 1.716 178.305 176.600 -0.019 0.000 0.992 363 E CA 1.264 57.652 56.400 -0.020 0.000 0.804 363 E CB -0.064 29.626 29.700 -0.016 0.000 0.741 363 E HN 0.332 nan 8.360 nan 0.000 0.458 364 A N -0.081 122.725 122.820 -0.022 0.000 2.206 364 A HA 0.214 4.534 4.320 -0.000 0.000 0.211 364 A C 1.691 179.261 177.584 -0.023 0.000 1.158 364 A CA 0.961 52.984 52.037 -0.022 0.000 0.761 364 A CB -0.024 18.962 19.000 -0.025 0.000 0.801 364 A HN 0.361 nan 8.150 nan 0.000 0.473 365 G N -2.439 106.346 108.800 -0.025 0.000 2.192 365 G HA2 0.186 4.146 3.960 -0.000 0.000 0.193 365 G HA3 0.186 4.146 3.960 -0.000 0.000 0.193 365 G C 0.339 175.221 174.900 -0.030 0.000 0.999 365 G CA -0.031 45.054 45.100 -0.025 0.000 0.659 365 G HN 1.472 nan 8.290 nan 0.000 0.503 366 A N 1.126 123.923 122.820 -0.038 0.000 2.522 366 A HA 0.556 4.876 4.320 -0.000 0.000 0.256 366 A C 1.771 179.324 177.584 -0.052 0.000 1.086 366 A CA 1.615 53.623 52.037 -0.048 0.000 0.763 366 A CB 0.119 19.082 19.000 -0.062 0.000 1.024 366 A HN 1.499 nan 8.150 nan 0.000 0.502 367 T N 0.371 114.898 114.554 -0.046 0.000 2.995 367 T HA 0.051 4.401 4.350 -0.000 0.000 0.269 367 T C 0.445 175.102 174.700 -0.072 0.000 1.091 367 T CA 1.496 63.570 62.100 -0.043 0.000 1.128 367 T CB -0.153 68.701 68.868 -0.023 0.000 0.891 367 T HN 0.720 nan 8.240 nan 0.000 0.492 368 E N -0.135 119.995 120.200 -0.117 0.000 2.308 368 E HA 0.561 4.911 4.350 -0.000 0.000 0.275 368 E C -1.881 174.527 176.600 -0.319 0.000 0.890 368 E CA -0.865 55.386 56.400 -0.247 0.000 0.754 368 E CB 3.012 32.539 29.700 -0.288 0.000 1.207 368 E HN 0.013 nan 8.360 nan 0.000 0.426 369 V N 3.393 123.087 119.914 -0.366 0.000 2.325 369 V HA 0.252 4.371 4.120 -0.000 0.000 0.280 369 V C -0.747 175.152 176.094 -0.324 0.000 1.016 369 V CA -0.892 61.243 62.300 -0.275 0.000 0.818 369 V CB 0.759 32.490 31.823 -0.153 0.000 1.019 369 V HN 0.632 nan 8.190 nan 0.000 0.434 370 H N 3.315 122.348 119.070 -0.061 0.000 2.552 370 H HA 0.492 5.048 4.556 -0.000 0.000 0.311 370 H C -0.467 174.790 175.328 -0.119 0.000 1.071 370 H CA -0.360 55.643 56.048 -0.074 0.000 1.307 370 H CB 2.081 31.807 29.762 -0.060 0.000 1.416 370 H HN 0.392 nan 8.280 nan 0.000 0.464 371 V N 4.874 124.769 119.914 -0.033 0.000 2.370 371 V HA 0.175 4.295 4.120 -0.000 0.000 0.283 371 V C 0.154 176.139 176.094 -0.181 0.000 1.023 371 V CA -0.720 61.506 62.300 -0.123 0.000 0.857 371 V CB 1.194 32.937 31.823 -0.135 0.000 0.985 371 V HN 0.504 nan 8.190 nan 0.000 0.443 372 K N 4.976 125.236 120.400 -0.232 0.000 2.274 372 K HA 0.656 4.976 4.320 -0.000 0.000 0.262 372 K C -0.982 175.463 176.600 -0.259 0.000 0.961 372 K CA -0.389 55.745 56.287 -0.255 0.000 0.833 372 K CB 1.374 33.650 32.500 -0.372 0.000 1.102 372 K HN 0.404 nan 8.250 nan 0.000 0.436 373 I N 2.556 122.952 120.570 -0.289 0.000 2.418 373 I HA 0.141 4.311 4.170 -0.000 0.000 0.287 373 I C 0.298 176.348 176.117 -0.112 0.000 1.008 373 I CA -0.608 60.530 61.300 -0.269 0.000 1.104 373 I CB 1.567 39.218 38.000 -0.582 0.000 1.264 373 I HN 0.650 nan 8.210 nan 0.000 0.438 374 S N 3.337 119.011 115.700 -0.043 0.000 3.456 374 S HA 0.403 4.872 4.470 -0.000 0.000 0.229 374 S C 0.236 174.837 174.600 0.002 0.000 1.416 374 S CA -0.317 57.881 58.200 -0.002 0.000 1.197 374 S CB -0.392 62.816 63.200 0.013 0.000 1.201 374 S HN 0.526 nan 8.310 nan 0.000 0.479 375 S N 1.571 117.283 115.700 0.021 0.000 2.570 375 S HA 0.614 5.083 4.470 -0.000 0.000 0.270 375 S C -2.953 171.647 174.600 0.001 0.000 1.149 375 S CA -1.156 57.010 58.200 -0.057 0.000 0.837 375 S CB 1.761 64.996 63.200 0.060 0.000 1.124 375 S HN 0.201 nan 8.310 nan 0.000 0.465 376 P HA 0.257 nan 4.420 nan 0.000 0.271 376 P C -2.697 174.515 177.300 -0.147 0.000 1.233 376 P CA -1.082 61.888 63.100 -0.217 0.000 0.789 376 P CB -0.533 30.947 31.700 -0.366 0.000 0.951 377 P HA 0.070 nan 4.420 nan 0.000 0.264 377 P C -0.354 176.942 177.300 -0.008 0.000 1.193 377 P CA 0.690 63.490 63.100 -0.500 0.000 0.763 377 P CB -0.032 31.253 31.700 -0.691 0.000 0.810 378 I N 2.758 123.381 120.570 0.088 0.000 2.278 378 I HA 0.147 4.317 4.170 -0.000 0.000 0.296 378 I C 1.201 177.272 176.117 -0.077 0.000 1.121 378 I CA 0.196 61.549 61.300 0.088 0.000 1.267 378 I CB 0.505 38.557 38.000 0.087 0.000 1.447 378 I HN 0.415 nan 8.210 nan 0.000 0.509 379 A N 5.797 128.498 122.820 -0.197 0.000 2.252 379 A HA 0.196 4.516 4.320 -0.000 0.000 0.213 379 A C 0.670 177.908 177.584 -0.577 0.000 1.188 379 A CA 0.379 52.179 52.037 -0.395 0.000 0.863 379 A CB 0.109 18.799 19.000 -0.516 0.000 0.893 379 A HN 0.593 nan 8.150 nan 0.000 0.495 380 H N -0.459 118.579 119.070 -0.053 0.000 2.670 380 H HA 0.443 4.999 4.556 -0.000 0.000 0.361 380 H C -2.790 172.497 175.328 -0.068 0.000 1.169 380 H CA -2.161 53.873 56.048 -0.022 0.000 1.198 380 H CB 0.961 30.709 29.762 -0.023 0.000 1.700 380 H HN 0.033 nan 8.280 nan 0.000 0.542 381 P HA 0.073 nan 4.420 nan 0.000 0.274 381 P C -0.414 176.709 177.300 -0.295 0.000 1.246 381 P CA -0.355 62.611 63.100 -0.223 0.000 0.795 381 P CB 0.788 32.236 31.700 -0.420 0.000 1.006 382 C N 2.237 121.271 119.300 -0.444 0.000 2.355 382 C HA 0.515 4.975 4.460 -0.000 0.000 0.332 382 C C 0.318 174.872 174.990 -0.727 0.000 1.255 382 C CA -0.298 58.499 59.018 -0.368 0.000 1.792 382 C CB -1.280 26.335 27.740 -0.208 0.000 2.300 382 C HN 0.511 nan 8.230 nan 0.000 0.515 383 F N 3.668 123.346 119.950 -0.454 0.000 2.639 383 F HA 0.301 4.827 4.527 -0.000 0.000 0.302 383 F C 0.462 175.963 175.800 -0.499 0.000 1.097 383 F CA -0.100 57.600 58.000 -0.500 0.000 1.294 383 F CB -0.130 38.495 39.000 -0.625 0.000 1.027 383 F HN 0.635 nan 8.300 nan 0.000 0.550 384 Y N 0.039 120.390 120.300 0.085 0.000 2.555 384 Y HA 0.590 5.140 4.550 -0.000 0.000 0.259 384 Y C 0.989 176.866 175.900 -0.038 0.000 1.179 384 Y CA -0.939 57.192 58.100 0.050 0.000 1.230 384 Y CB 0.534 39.016 38.460 0.036 0.000 1.146 384 Y HN -0.064 nan 8.280 nan 0.000 0.526 385 G N -0.430 108.373 108.800 0.004 0.000 2.405 385 G HA2 0.224 4.184 3.960 -0.000 0.000 0.303 385 G HA3 0.224 4.184 3.960 -0.000 0.000 0.303 385 G C 0.229 175.030 174.900 -0.164 0.000 1.644 385 G CA -0.634 44.407 45.100 -0.097 0.000 0.899 385 G HN -0.040 nan 8.290 nan 0.000 0.667 386 I N 0.892 121.369 120.570 -0.155 0.000 2.208 386 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 386 I C 2.275 178.103 176.117 -0.481 0.000 1.097 386 I CA 2.202 63.410 61.300 -0.152 0.000 1.363 386 I CB -1.309 36.693 38.000 0.004 0.000 1.051 386 I HN 0.647 nan 8.210 nan 0.000 0.413 387 D N 1.468 121.396 120.400 -0.787 0.000 2.218 387 D HA -0.173 4.466 4.640 -0.000 0.000 0.204 387 D C 1.674 177.543 176.300 -0.719 0.000 0.976 387 D CA 1.787 55.057 54.000 -1.217 0.000 0.853 387 D CB -1.010 39.209 40.800 -0.969 0.000 0.939 387 D HN 0.538 nan 8.370 nan 0.000 0.481 388 T N -3.290 110.963 114.554 -0.502 0.000 3.145 388 T HA 0.331 4.681 4.350 -0.000 0.000 0.255 388 T C 0.498 175.083 174.700 -0.191 0.000 1.039 388 T CA -0.631 61.287 62.100 -0.303 0.000 0.928 388 T CB 0.048 68.754 68.868 -0.269 0.000 1.029 388 T HN -0.056 nan 8.240 nan 0.000 0.554 389 S N 0.740 116.329 115.700 -0.185 0.000 2.689 389 S HA 0.768 5.237 4.470 -0.000 0.000 0.306 389 S C -0.458 174.085 174.600 -0.094 0.000 1.104 389 S CA -0.723 57.393 58.200 -0.139 0.000 0.973 389 S CB 1.964 65.104 63.200 -0.100 0.000 1.121 389 S HN 0.373 nan 8.310 nan 0.000 0.523 390 T N -0.323 114.151 114.554 -0.133 0.000 2.909 390 T HA 0.468 4.817 4.350 -0.000 0.000 0.299 390 T C -0.135 174.386 174.700 -0.298 0.000 1.073 390 T CA -0.580 61.387 62.100 -0.222 0.000 0.999 390 T CB 0.745 69.463 68.868 -0.250 0.000 1.098 390 T HN 0.847 nan 8.240 nan 0.000 0.477 391 H N 0.734 119.618 119.070 -0.310 0.000 2.622 391 H HA 0.553 5.109 4.556 -0.000 0.000 0.269 391 H C 0.503 175.715 175.328 -0.193 0.000 0.977 391 H CA -0.376 55.372 56.048 -0.499 0.000 1.179 391 H CB 0.356 29.641 29.762 -0.795 0.000 1.458 391 H HN 0.442 nan 8.280 nan 0.000 0.531 392 E N 0.928 120.831 120.200 -0.496 0.000 2.292 392 E HA 0.102 4.452 4.350 -0.000 0.000 0.258 392 E C -0.196 176.319 176.600 -0.141 0.000 1.115 392 E CA -0.933 55.324 56.400 -0.238 0.000 0.929 392 E CB 1.031 30.563 29.700 -0.280 0.000 1.161 392 E HN 0.227 nan 8.360 nan 0.000 0.453 393 E N 1.476 121.631 120.200 -0.075 0.000 2.290 393 E HA 0.067 4.417 4.350 -0.000 0.000 0.277 393 E C -0.889 175.682 176.600 -0.048 0.000 1.035 393 E CA -0.209 56.165 56.400 -0.043 0.000 0.873 393 E CB 0.500 30.195 29.700 -0.007 0.000 1.029 393 E HN 0.349 nan 8.360 nan 0.000 0.419 394 L N 7.034 128.230 121.223 -0.045 0.000 2.385 394 L HA 0.119 4.459 4.340 -0.000 0.000 0.281 394 L C 1.720 178.589 176.870 -0.002 0.000 1.106 394 L CA -0.153 54.662 54.840 -0.041 0.000 0.856 394 L CB 0.127 42.148 42.059 -0.063 0.000 1.186 394 L HN 0.607 nan 8.230 nan 0.000 0.453 395 I N 0.300 120.876 120.570 0.009 0.000 2.830 395 I HA -0.048 4.122 4.170 -0.000 0.000 0.263 395 I C 1.970 178.197 176.117 0.183 0.000 1.230 395 I CA 0.932 62.286 61.300 0.090 0.000 1.480 395 I CB -0.167 37.755 38.000 -0.130 0.000 1.095 395 I HN 0.638 nan 8.210 nan 0.000 0.455 396 A N 0.927 123.778 122.820 0.051 0.000 2.252 396 A HA 0.102 4.421 4.320 -0.000 0.000 0.207 396 A C 2.185 179.737 177.584 -0.053 0.000 1.194 396 A CA 0.830 52.866 52.037 -0.002 0.000 0.809 396 A CB -0.593 18.348 19.000 -0.098 0.000 0.814 396 A HN 0.490 nan 8.150 nan 0.000 0.482 397 S N 0.215 115.895 115.700 -0.033 0.000 2.377 397 S HA -0.097 4.373 4.470 -0.000 0.000 0.223 397 S C 2.177 176.749 174.600 -0.046 0.000 1.030 397 S CA 1.510 59.671 58.200 -0.065 0.000 0.970 397 S CB -0.102 63.072 63.200 -0.043 0.000 0.830 397 S HN 0.805 nan 8.310 nan 0.000 0.473 398 S N 0.274 115.963 115.700 -0.018 0.000 2.475 398 S HA 0.179 4.649 4.470 -0.000 0.000 0.224 398 S C 0.112 174.502 174.600 -0.351 0.000 1.042 398 S CA 0.016 58.112 58.200 -0.174 0.000 0.935 398 S CB -0.208 62.867 63.200 -0.208 0.000 0.801 398 S HN 0.480 nan 8.310 nan 0.000 0.509 399 H N 2.229 121.284 119.070 -0.026 0.000 2.472 399 H HA 0.645 5.201 4.556 -0.000 0.000 0.338 399 H C 0.390 175.705 175.328 -0.023 0.000 1.133 399 H CA -0.310 55.730 56.048 -0.014 0.000 1.216 399 H CB 1.234 30.996 29.762 0.001 0.000 1.497 399 H HN 0.286 nan 8.280 nan 0.000 0.500 400 S N 0.735 116.474 115.700 0.065 0.000 2.655 400 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 400 S C 1.314 175.961 174.600 0.079 0.000 1.240 400 S CA -0.659 57.563 58.200 0.037 0.000 0.986 400 S CB 0.811 64.024 63.200 0.021 0.000 0.985 400 S HN 0.357 nan 8.310 nan 0.000 0.562 401 V N 0.875 120.826 119.914 0.061 0.000 2.392 401 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 401 V C 2.306 178.476 176.094 0.127 0.000 1.059 401 V CA 2.484 64.864 62.300 0.133 0.000 1.051 401 V CB -1.155 30.755 31.823 0.145 0.000 0.658 401 V HN 1.006 nan 8.190 nan 0.000 0.455 402 D N -0.626 119.828 120.400 0.089 0.000 2.269 402 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 402 D C 2.178 178.527 176.300 0.082 0.000 0.963 402 D CA 0.795 54.840 54.000 0.075 0.000 0.864 402 D CB 0.085 40.918 40.800 0.055 0.000 0.936 402 D HN 0.541 nan 8.370 nan 0.000 0.505 403 E N -0.321 119.943 120.200 0.107 0.000 2.072 403 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 403 E C 2.182 178.858 176.600 0.126 0.000 0.982 403 E CA 0.518 57.010 56.400 0.152 0.000 0.803 403 E CB 0.100 29.934 29.700 0.223 0.000 0.755 403 E HN 0.397 nan 8.360 nan 0.000 0.453 404 I N 0.984 121.622 120.570 0.114 0.000 2.179 404 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 404 I C 2.768 178.906 176.117 0.034 0.000 1.088 404 I CA 1.071 62.395 61.300 0.040 0.000 1.357 404 I CB -0.327 37.751 38.000 0.130 0.000 1.051 404 I HN 0.047 nan 8.210 nan 0.000 0.409 405 R N 1.028 121.565 120.500 0.062 0.000 2.083 405 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 405 R C 2.323 178.633 176.300 0.016 0.000 1.137 405 R CA 1.877 57.998 56.100 0.035 0.000 0.951 405 R CB -0.202 30.126 30.300 0.047 0.000 0.851 405 R HN 0.447 nan 8.270 nan 0.000 0.434 406 Q N -0.275 119.541 119.800 0.026 0.000 2.135 406 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 406 Q C 2.065 178.066 176.000 0.001 0.000 0.981 406 Q CA 1.367 57.180 55.803 0.017 0.000 0.856 406 Q CB -0.021 28.735 28.738 0.031 0.000 0.902 406 Q HN 0.291 nan 8.270 nan 0.000 0.425 407 E N 0.780 120.973 120.200 -0.011 0.000 2.072 407 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 407 E C 1.968 178.543 176.600 -0.041 0.000 0.982 407 E CA 0.977 57.354 56.400 -0.040 0.000 0.803 407 E CB -0.004 29.634 29.700 -0.102 0.000 0.755 407 E HN 0.553 nan 8.360 nan 0.000 0.453 408 I N -3.466 117.080 120.570 -0.040 0.000 2.761 408 I HA 0.190 4.360 4.170 -0.000 0.000 0.261 408 I C 1.361 177.455 176.117 -0.038 0.000 1.198 408 I CA 1.042 62.317 61.300 -0.043 0.000 1.482 408 I CB -0.044 37.927 38.000 -0.048 0.000 1.100 408 I HN 0.109 nan 8.210 nan 0.000 0.445 409 G N 1.449 110.232 108.800 -0.030 0.000 2.132 409 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.228 409 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.228 409 G C 0.299 175.176 174.900 -0.037 0.000 1.000 409 G CA -0.007 45.076 45.100 -0.028 0.000 0.693 409 G HN 0.940 nan 8.290 nan 0.000 0.515 410 A N -0.546 122.252 122.820 -0.037 0.000 2.332 410 A HA 0.643 4.963 4.320 -0.000 0.000 0.258 410 A C 1.074 178.639 177.584 -0.031 0.000 1.087 410 A CA 0.830 52.838 52.037 -0.048 0.000 0.802 410 A CB 0.430 19.403 19.000 -0.044 0.000 1.042 410 A HN 0.219 nan 8.150 nan 0.000 0.489 411 D N -0.698 119.668 120.400 -0.057 0.000 2.117 411 D HA 0.021 4.661 4.640 -0.000 0.000 0.198 411 D C 0.949 177.306 176.300 0.093 0.000 0.982 411 D CA 2.346 56.337 54.000 -0.015 0.000 0.828 411 D CB 0.111 40.818 40.800 -0.155 0.000 0.967 411 D HN 0.783 nan 8.370 nan 0.000 0.464 412 T N -2.330 112.309 114.554 0.142 0.000 2.843 412 T HA 0.580 4.929 4.350 -0.000 0.000 0.302 412 T C -1.409 173.318 174.700 0.046 0.000 1.232 412 T CA -1.066 61.101 62.100 0.113 0.000 1.009 412 T CB 1.983 70.935 68.868 0.141 0.000 1.254 412 T HN -0.046 nan 8.240 nan 0.000 0.504 413 L N 0.642 121.875 121.223 0.016 0.000 2.431 413 L HA 0.852 5.192 4.340 -0.000 0.000 0.266 413 L C -1.269 175.583 176.870 -0.030 0.000 0.978 413 L CA -0.148 54.662 54.840 -0.050 0.000 0.822 413 L CB 2.242 44.280 42.059 -0.035 0.000 1.310 413 L HN 0.963 nan 8.230 nan 0.000 0.409 414 S N 3.786 119.415 115.700 -0.119 0.000 2.548 414 S HA 0.747 5.217 4.470 -0.000 0.000 0.276 414 S C -1.188 173.334 174.600 -0.131 0.000 1.129 414 S CA -0.324 57.864 58.200 -0.021 0.000 0.931 414 S CB 1.148 64.350 63.200 0.004 0.000 1.068 414 S HN 0.395 nan 8.310 nan 0.000 0.480 415 F N 1.295 121.236 119.950 -0.014 0.000 2.523 415 F HA 0.547 5.074 4.527 -0.000 0.000 0.329 415 F C 0.497 176.276 175.800 -0.035 0.000 1.061 415 F CA -0.967 57.016 58.000 -0.030 0.000 0.967 415 F CB 0.721 39.699 39.000 -0.036 0.000 1.218 415 F HN 0.306 nan 8.300 nan 0.000 0.480 416 L N 1.282 122.587 121.223 0.136 0.000 2.472 416 L HA 0.238 4.578 4.340 -0.000 0.000 0.260 416 L C 0.370 177.252 176.870 0.019 0.000 1.209 416 L CA -0.192 54.677 54.840 0.047 0.000 0.817 416 L CB 1.032 43.085 42.059 -0.010 0.000 1.106 416 L HN 0.828 nan 8.230 nan 0.000 0.479 417 S N 0.640 116.334 115.700 -0.010 0.000 2.646 417 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 417 S C 0.907 175.463 174.600 -0.072 0.000 1.222 417 S CA -0.985 57.196 58.200 -0.032 0.000 1.014 417 S CB 1.704 64.894 63.200 -0.016 0.000 0.991 417 S HN 0.370 nan 8.310 nan 0.000 0.533 418 V N 1.212 121.081 119.914 -0.076 0.000 2.490 418 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 418 V C 2.711 178.773 176.094 -0.052 0.000 1.061 418 V CA 2.191 64.443 62.300 -0.080 0.000 1.064 418 V CB -1.107 30.694 31.823 -0.037 0.000 0.670 418 V HN 1.009 nan 8.190 nan 0.000 0.461 419 E N 0.213 120.391 120.200 -0.036 0.000 2.047 419 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 419 E C 2.316 178.893 176.600 -0.037 0.000 0.987 419 E CA 1.279 57.661 56.400 -0.029 0.000 0.799 419 E CB -0.356 29.331 29.700 -0.021 0.000 0.752 419 E HN 0.608 nan 8.360 nan 0.000 0.449 420 G N 1.178 109.954 108.800 -0.039 0.000 2.408 420 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 420 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 420 G C 1.489 176.356 174.900 -0.056 0.000 1.150 420 G CA 0.598 45.673 45.100 -0.041 0.000 0.776 420 G HN 0.220 nan 8.290 nan 0.000 0.542 421 L N 0.641 121.820 121.223 -0.074 0.000 1.961 421 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 421 L C 2.773 179.593 176.870 -0.084 0.000 1.072 421 L CA 1.577 56.361 54.840 -0.093 0.000 0.749 421 L CB -0.634 41.337 42.059 -0.147 0.000 0.889 421 L HN 0.206 nan 8.230 nan 0.000 0.432 422 L N -0.566 120.617 121.223 -0.067 0.000 2.079 422 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 422 L C 2.644 179.476 176.870 -0.064 0.000 1.081 422 L CA 1.717 56.523 54.840 -0.056 0.000 0.752 422 L CB -0.670 41.373 42.059 -0.026 0.000 0.896 422 L HN 0.339 nan 8.230 nan 0.000 0.433 423 K N 0.148 120.514 120.400 -0.056 0.000 2.025 423 K HA -0.125 4.194 4.320 -0.000 0.000 0.207 423 K C 2.112 178.671 176.600 -0.069 0.000 1.049 423 K CA 1.357 57.611 56.287 -0.055 0.000 0.933 423 K CB -0.330 32.143 32.500 -0.045 0.000 0.714 423 K HN 0.311 nan 8.250 nan 0.000 0.438 424 G N 1.036 109.791 108.800 -0.075 0.000 2.421 424 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 424 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 424 G C 1.474 176.307 174.900 -0.112 0.000 1.171 424 G CA 0.950 46.001 45.100 -0.082 0.000 0.775 424 G HN 0.255 nan 8.290 nan 0.000 0.543 425 I N 0.855 121.331 120.570 -0.157 0.000 2.394 425 I HA 0.062 4.231 4.170 -0.000 0.000 0.251 425 I C 2.082 178.075 176.117 -0.207 0.000 1.136 425 I CA 0.890 62.031 61.300 -0.266 0.000 1.425 425 I CB -0.281 37.457 38.000 -0.437 0.000 1.079 425 I HN 0.350 nan 8.210 nan 0.000 0.425 426 G N 1.969 110.687 108.800 -0.137 0.000 2.212 426 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.255 426 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.255 426 G C 0.078 174.927 174.900 -0.085 0.000 1.062 426 G CA -0.366 44.677 45.100 -0.096 0.000 0.815 426 G HN 0.345 nan 8.290 nan 0.000 0.497 427 R N -0.162 120.297 120.500 -0.067 0.000 2.390 427 R HA 0.361 4.700 4.340 -0.000 0.000 0.291 427 R C 0.129 176.390 176.300 -0.065 0.000 1.070 427 R CA -0.444 55.650 56.100 -0.011 0.000 1.014 427 R CB 0.695 31.094 30.300 0.166 0.000 1.007 427 R HN -0.053 nan 8.270 nan 0.000 0.466 428 K N 3.973 124.228 120.400 -0.242 0.000 2.363 428 K HA 0.174 4.494 4.320 -0.000 0.000 0.240 428 K C -1.134 175.216 176.600 -0.416 0.000 1.169 428 K CA -0.052 56.074 56.287 -0.268 0.000 1.131 428 K CB 0.138 32.488 32.500 -0.249 0.000 1.771 428 K HN 0.446 nan 8.250 nan 0.000 0.380 429 Y N 0.842 121.141 120.300 -0.002 0.000 2.373 429 Y HA 0.080 4.630 4.550 -0.000 0.000 0.336 429 Y C -0.002 175.897 175.900 -0.002 0.000 0.979 429 Y CA -2.047 56.054 58.100 0.002 0.000 1.080 429 Y CB 1.346 39.810 38.460 0.007 0.000 1.190 429 Y HN 0.286 nan 8.280 nan 0.000 0.446 430 D N 3.084 123.573 120.400 0.149 0.000 2.416 430 D HA 0.213 4.852 4.640 -0.000 0.000 0.240 430 D C -0.515 175.830 176.300 0.075 0.000 1.250 430 D CA 0.131 54.179 54.000 0.080 0.000 0.967 430 D CB 0.009 40.841 40.800 0.054 0.000 1.059 430 D HN 0.662 nan 8.370 nan 0.000 0.512 431 D N -0.226 120.212 120.400 0.063 0.000 2.983 431 D HA -0.090 4.549 4.640 -0.000 0.000 0.269 431 D C 0.449 176.770 176.300 0.035 0.000 1.121 431 D CA -0.491 53.533 54.000 0.041 0.000 0.724 431 D CB 0.283 41.104 40.800 0.035 0.000 1.381 431 D HN 0.128 nan 8.370 nan 0.000 0.442 432 S N 1.339 117.052 115.700 0.021 0.000 2.408 432 S HA -0.301 4.169 4.470 -0.000 0.000 0.241 432 S C 1.061 175.674 174.600 0.021 0.000 1.080 432 S CA 1.827 60.037 58.200 0.016 0.000 1.109 432 S CB -0.631 62.575 63.200 0.010 0.000 0.966 432 S HN 0.614 nan 8.310 nan 0.000 0.449 433 N N 0.068 118.783 118.700 0.025 0.000 2.230 433 N HA 0.221 4.961 4.740 -0.000 0.000 0.202 433 N C 0.125 175.663 175.510 0.047 0.000 1.119 433 N CA 0.524 53.592 53.050 0.030 0.000 0.851 433 N CB -0.286 38.214 38.487 0.022 0.000 0.990 433 N HN 0.539 nan 8.380 nan 0.000 0.497 434 C N 0.260 119.604 119.300 0.073 0.000 4.259 434 C HA -0.137 4.322 4.460 -0.000 0.000 0.294 434 C C 1.529 176.617 174.990 0.162 0.000 1.459 434 C CA 0.177 59.284 59.018 0.148 0.000 2.016 434 C CB -2.488 25.316 27.740 0.107 0.000 1.274 434 C HN 0.682 nan 8.230 nan 0.000 0.792 435 G N -0.579 108.229 108.800 0.013 0.000 2.147 435 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 435 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 435 G C -0.266 174.593 174.900 -0.067 0.000 1.005 435 G CA 0.731 45.732 45.100 -0.165 0.000 0.713 435 G HN 0.824 nan 8.290 nan 0.000 0.515 436 Q N -1.324 118.482 119.800 0.009 0.000 2.297 436 Q HA 0.627 4.966 4.340 -0.000 0.000 0.269 436 Q C -0.000 176.016 176.000 0.028 0.000 1.051 436 Q CA -0.590 55.244 55.803 0.052 0.000 0.869 436 Q CB 2.395 31.196 28.738 0.104 0.000 1.346 436 Q HN 0.553 nan 8.270 nan 0.000 0.457 437 C N 2.163 121.485 119.300 0.036 0.000 2.255 437 C HA 0.501 4.960 4.460 -0.000 0.000 0.326 437 C C 0.437 175.452 174.990 0.042 0.000 1.258 437 C CA -0.346 58.672 59.018 0.000 0.000 1.676 437 C CB -1.138 26.579 27.740 -0.038 0.000 2.314 437 C HN 0.871 nan 8.230 nan 0.000 0.509 438 L N 5.450 126.693 121.223 0.033 0.000 2.857 438 L HA 0.261 4.601 4.340 -0.000 0.000 0.249 438 L C 2.244 179.045 176.870 -0.116 0.000 1.172 438 L CA 0.435 55.348 54.840 0.122 0.000 0.980 438 L CB -0.237 41.950 42.059 0.214 0.000 1.299 438 L HN 0.881 nan 8.230 nan 0.000 0.535 439 A N 0.729 123.395 122.820 -0.255 0.000 1.884 439 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 439 A C 2.485 179.776 177.584 -0.487 0.000 1.197 439 A CA 2.335 54.069 52.037 -0.505 0.000 0.637 439 A CB -1.225 17.369 19.000 -0.677 0.000 0.827 439 A HN 0.683 nan 8.150 nan 0.000 0.450 440 C N -1.876 117.142 119.300 -0.469 0.000 2.398 440 C HA -0.128 4.331 4.460 -0.000 0.000 0.279 440 C C 2.304 177.170 174.990 -0.205 0.000 1.250 440 C CA 0.891 59.687 59.018 -0.370 0.000 1.786 440 C CB -2.116 25.299 27.740 -0.541 0.000 2.018 440 C HN 0.478 nan 8.230 nan 0.000 0.494 441 F N 2.446 122.428 119.950 0.053 0.000 2.220 441 F HA 0.087 4.614 4.527 -0.000 0.000 0.290 441 F C 2.837 178.713 175.800 0.127 0.000 1.080 441 F CA 1.550 59.577 58.000 0.046 0.000 1.318 441 F CB -1.477 37.524 39.000 0.003 0.000 1.063 441 F HN 0.358 nan 8.300 nan 0.000 0.498 442 T N -3.912 110.740 114.554 0.163 0.000 3.023 442 T HA 0.470 4.820 4.350 -0.000 0.000 0.249 442 T C 1.819 176.361 174.700 -0.263 0.000 1.050 442 T CA 0.702 62.823 62.100 0.035 0.000 1.088 442 T CB 0.272 69.141 68.868 0.003 0.000 0.946 442 T HN 0.480 nan 8.240 nan 0.000 0.480 443 G N 1.477 109.861 108.800 -0.694 0.000 2.194 443 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.236 443 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.236 443 G C -0.066 174.519 174.900 -0.526 0.000 0.987 443 G CA -0.076 44.417 45.100 -1.013 0.000 0.635 443 G HN 0.641 nan 8.290 nan 0.000 0.520 444 K N 0.935 121.098 120.400 -0.395 0.000 2.299 444 K HA 0.518 4.837 4.320 -0.000 0.000 0.268 444 K C -0.561 175.887 176.600 -0.253 0.000 1.075 444 K CA -0.593 55.572 56.287 -0.203 0.000 0.936 444 K CB 0.611 33.049 32.500 -0.104 0.000 1.228 444 K HN 0.287 nan 8.250 nan 0.000 0.454 445 Y N 3.005 123.314 120.300 0.015 0.000 2.304 445 Y HA 0.094 4.644 4.550 -0.000 0.000 0.327 445 Y C -0.949 174.997 175.900 0.076 0.000 1.209 445 Y CA -1.648 56.520 58.100 0.114 0.000 1.299 445 Y CB 0.572 39.124 38.460 0.153 0.000 1.249 445 Y HN 0.520 nan 8.280 nan 0.000 0.519 446 P HA 0.117 nan 4.420 nan 0.000 0.261 446 P C -0.280 177.050 177.300 0.050 0.000 1.268 446 P CA 0.388 63.520 63.100 0.054 0.000 0.833 446 P CB 0.721 32.395 31.700 -0.043 0.000 1.231 447 T N 0.907 115.550 114.554 0.149 0.000 2.930 447 T HA 0.297 4.647 4.350 -0.000 0.000 0.290 447 T C -0.466 174.273 174.700 0.064 0.000 1.052 447 T CA -0.585 61.589 62.100 0.123 0.000 1.017 447 T CB 2.089 71.109 68.868 0.255 0.000 1.137 447 T HN 0.012 nan 8.240 nan 0.000 0.511 448 E N 1.823 121.982 120.200 -0.069 0.000 2.301 448 E HA 0.354 4.704 4.350 -0.000 0.000 0.275 448 E C -0.848 175.426 176.600 -0.544 0.000 1.030 448 E CA -0.574 55.656 56.400 -0.282 0.000 0.852 448 E CB 0.928 30.428 29.700 -0.334 0.000 1.060 448 E HN 0.258 nan 8.360 nan 0.000 0.401 449 I N 2.702 122.894 120.570 -0.630 0.000 2.433 449 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 449 I C -0.305 175.354 176.117 -0.764 0.000 1.001 449 I CA -1.124 59.735 61.300 -0.735 0.000 1.119 449 I CB 0.377 37.892 38.000 -0.810 0.000 1.289 449 I HN 0.483 nan 8.210 nan 0.000 0.438 450 Y N 3.806 123.942 120.300 -0.273 0.000 2.458 450 Y HA 0.169 4.718 4.550 -0.000 0.000 0.322 450 Y C 1.628 177.401 175.900 -0.211 0.000 1.259 450 Y CA -0.540 57.446 58.100 -0.190 0.000 1.302 450 Y CB 0.583 38.960 38.460 -0.139 0.000 1.314 450 Y HN 0.539 nan 8.280 nan 0.000 0.509 451 Q N 0.864 120.680 119.800 0.026 0.000 2.224 451 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 451 Q C 0.479 176.460 176.000 -0.031 0.000 0.970 451 Q CA 2.074 57.859 55.803 -0.030 0.000 0.865 451 Q CB -0.896 27.835 28.738 -0.011 0.000 0.922 451 Q HN 0.950 nan 8.270 nan 0.000 0.445 452 D N 0.343 120.742 120.400 -0.002 0.000 2.355 452 D HA -0.017 4.623 4.640 -0.000 0.000 0.218 452 D C -0.181 176.090 176.300 -0.048 0.000 1.004 452 D CA 0.207 54.187 54.000 -0.034 0.000 0.880 452 D CB -0.225 40.542 40.800 -0.056 0.000 0.911 452 D HN -0.044 nan 8.370 nan 0.000 0.528 453 T N 1.551 116.065 114.554 -0.067 0.000 2.793 453 T HA 0.222 4.572 4.350 -0.000 0.000 0.289 453 T C 0.471 175.093 174.700 -0.130 0.000 0.956 453 T CA -0.374 61.642 62.100 -0.140 0.000 1.177 453 T CB 0.625 69.275 68.868 -0.362 0.000 0.897 453 T HN 0.203 nan 8.240 nan 0.000 0.533 454 V N 3.398 123.287 119.914 -0.042 0.000 2.743 454 V HA 0.571 4.690 4.120 -0.000 0.000 0.301 454 V C 0.262 176.441 176.094 0.142 0.000 1.057 454 V CA -1.169 61.140 62.300 0.016 0.000 1.006 454 V CB 0.892 32.698 31.823 -0.028 0.000 1.024 454 V HN 0.741 nan 8.190 nan 0.000 0.473 455 L N 4.640 125.981 121.223 0.197 0.000 2.380 455 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 455 L C -1.217 175.711 176.870 0.096 0.000 1.138 455 L CA -1.444 53.533 54.840 0.227 0.000 0.832 455 L CB 1.710 43.870 42.059 0.168 0.000 1.124 455 L HN 0.548 nan 8.230 nan 0.000 0.454 456 P HA -0.271 nan 4.420 nan 0.000 0.220 456 P C 1.239 178.605 177.300 0.111 0.000 1.155 456 P CA 1.662 64.824 63.100 0.102 0.000 0.880 456 P CB -0.106 31.640 31.700 0.076 0.000 0.790 457 H N -1.736 117.367 119.070 0.055 0.000 2.457 457 H HA 0.015 4.571 4.556 -0.000 0.000 0.294 457 H C 1.698 177.049 175.328 0.038 0.000 1.064 457 H CA 0.879 56.961 56.048 0.056 0.000 1.330 457 H CB -1.387 28.415 29.762 0.067 0.000 1.395 457 H HN -0.028 nan 8.280 nan 0.000 0.541 458 V N 1.771 121.370 119.914 -0.526 0.000 2.546 458 V HA -0.244 3.875 4.120 -0.000 0.000 0.254 458 V C 1.969 177.982 176.094 -0.135 0.000 1.076 458 V CA 2.080 64.161 62.300 -0.365 0.000 1.087 458 V CB -0.570 31.067 31.823 -0.310 0.000 0.674 458 V HN 0.401 nan 8.190 nan 0.000 0.470 459 K N 1.013 121.370 120.400 -0.072 0.000 2.632 459 K HA -0.037 4.283 4.320 -0.000 0.000 0.196 459 K C 0.812 177.410 176.600 -0.005 0.000 1.023 459 K CA -0.071 56.198 56.287 -0.030 0.000 1.098 459 K CB -0.196 32.302 32.500 -0.003 0.000 0.862 459 K HN 0.636 nan 8.250 nan 0.000 0.504 460 E N 0.572 120.772 120.200 0.001 0.000 2.409 460 E HA 0.033 4.383 4.350 -0.000 0.000 0.257 460 E C 0.184 176.796 176.600 0.020 0.000 1.150 460 E CA 0.269 56.683 56.400 0.023 0.000 0.942 460 E CB 1.203 30.920 29.700 0.028 0.000 0.979 460 E HN 0.038 nan 8.360 nan 0.000 0.447 461 A N 2.902 125.742 122.820 0.032 0.000 1.995 461 A HA 0.236 4.555 4.320 -0.000 0.000 0.200 461 A C 0.662 178.268 177.584 0.035 0.000 1.566 461 A CA 0.187 52.245 52.037 0.035 0.000 0.895 461 A CB 0.064 19.092 19.000 0.048 0.000 1.046 461 A HN 0.351 nan 8.150 nan 0.000 0.523 462 V N 2.584 122.523 119.914 0.040 0.000 2.607 462 V HA 0.159 4.279 4.120 -0.000 0.000 0.289 462 V C 1.725 177.836 176.094 0.027 0.000 1.053 462 V CA 0.201 62.523 62.300 0.037 0.000 0.996 462 V CB 1.359 33.210 31.823 0.046 0.000 0.995 462 V HN 0.629 nan 8.190 nan 0.000 0.476 463 L N 2.688 123.924 121.223 0.022 0.000 2.012 463 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 463 L C 1.544 178.423 176.870 0.014 0.000 1.073 463 L CA 2.206 57.056 54.840 0.017 0.000 0.748 463 L CB -1.071 40.997 42.059 0.015 0.000 0.891 463 L HN 0.851 nan 8.230 nan 0.000 0.431 464 T N -1.436 113.128 114.554 0.017 0.000 12.724 464 T HA -0.357 3.993 4.350 -0.000 0.000 0.418 464 T C 0.640 175.348 174.700 0.012 0.000 1.446 464 T CA 2.308 64.418 62.100 0.016 0.000 2.382 464 T CB -1.105 67.770 68.868 0.013 0.000 2.829 464 T HN 0.679 nan 8.240 nan 0.000 0.744 465 K N 0.000 120.406 120.400 0.009 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.292 56.287 0.008 0.000 0.838 465 K CB 0.000 32.504 32.500 0.007 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543