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 1uf5_1_A DATA FIRST_RESID 1 DATA SEQUENCE TRQMILAVGQ QGPIARAETR EQVVVRLLDM LTKAASRGAN FIVFPELALT DATA SEQUENCE TFFPRWHFTD EAELDSFYET EMPGPVVRPL FEKAAELGIG FNLGYAELVV DATA SEQUENCE EGGVKRRFNT SILVDKSGKI VGKYRKIHLP GHKEYEAYRP FQHLEKRYFE DATA SEQUENCE PGDLGFPVYD VDAAKMGMFI ANDRRWPEAW RVMGLRGAEI ICGGYNTPTH DATA SEQUENCE NPPVPQHDHL TSFHHLLSMQ AGSYQNGAWS AAAGKAGMEE NCMLLGHSCI DATA SEQUENCE VAPTGEIVAL TTTLEDEVIT AAVDLDRCRE LREHIFNFKQ HRQPQHYGLI DATA SEQUENCE AEL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.692 174.700 -0.014 0.000 1.109 1 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 1 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 2 R N 0.296 120.788 120.500 -0.013 0.000 2.531 2 R HA 0.228 4.568 4.340 -0.000 0.000 0.316 2 R C -0.112 176.168 176.300 -0.033 0.000 0.955 2 R CA -0.195 55.898 56.100 -0.013 0.000 1.120 2 R CB 0.691 30.996 30.300 0.009 0.000 1.361 2 R HN 0.507 nan 8.270 nan 0.000 0.534 3 Q N 1.222 120.998 119.800 -0.040 0.000 2.309 3 Q HA 0.620 4.960 4.340 -0.000 0.000 0.264 3 Q C 0.222 176.174 176.000 -0.081 0.000 1.008 3 Q CA -0.210 55.556 55.803 -0.061 0.000 0.853 3 Q CB 2.653 31.370 28.738 -0.035 0.000 1.314 3 Q HN 0.121 nan 8.270 nan 0.000 0.448 4 M N -0.568 118.960 119.600 -0.120 0.000 2.895 4 M HA 0.574 5.054 4.480 -0.000 0.000 0.271 4 M C -1.698 174.523 176.300 -0.132 0.000 1.174 4 M CA -0.814 54.420 55.300 -0.110 0.000 0.816 4 M CB 1.579 34.108 32.600 -0.119 0.000 1.647 4 M HN 0.425 nan 8.290 nan 0.000 0.506 5 I N 2.391 122.909 120.570 -0.086 0.000 2.410 5 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 5 I C -1.371 174.716 176.117 -0.049 0.000 1.009 5 I CA -0.921 60.333 61.300 -0.076 0.000 1.111 5 I CB 1.938 39.915 38.000 -0.039 0.000 1.262 5 I HN 0.570 nan 8.210 nan 0.000 0.443 6 L N 7.015 128.197 121.223 -0.070 0.000 2.325 6 L HA 0.848 5.188 4.340 -0.000 0.000 0.279 6 L C -0.221 176.661 176.870 0.020 0.000 1.054 6 L CA 0.100 54.937 54.840 -0.005 0.000 0.804 6 L CB 1.386 43.418 42.059 -0.046 0.000 1.200 6 L HN 0.694 nan 8.230 nan 0.000 0.436 7 A N 4.097 126.939 122.820 0.037 0.000 2.469 7 A HA 0.856 5.176 4.320 -0.000 0.000 0.299 7 A C -1.565 176.013 177.584 -0.010 0.000 1.098 7 A CA -0.586 51.454 52.037 0.004 0.000 0.737 7 A CB 1.838 20.817 19.000 -0.035 0.000 1.312 7 A HN 0.497 nan 8.150 nan 0.000 0.414 8 V N 0.459 120.376 119.914 0.005 0.000 2.588 8 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 8 V C 0.510 176.613 176.094 0.015 0.000 1.042 8 V CA 0.001 62.309 62.300 0.013 0.000 0.877 8 V CB 2.041 33.920 31.823 0.093 0.000 0.996 8 V HN 1.281 nan 8.190 nan 0.000 0.425 9 G N 3.569 112.376 108.800 0.012 0.000 3.102 9 G HA2 0.402 4.362 3.960 -0.000 0.000 0.345 9 G HA3 0.402 4.362 3.960 -0.000 0.000 0.345 9 G C -0.278 174.744 174.900 0.204 0.000 1.200 9 G CA -0.317 44.886 45.100 0.173 0.000 1.163 9 G HN 0.677 nan 8.290 nan 0.000 0.465 10 Q N 1.680 121.545 119.800 0.109 0.000 2.364 10 Q HA 0.221 4.561 4.340 -0.000 0.000 0.267 10 Q C -0.288 175.734 176.000 0.038 0.000 0.999 10 Q CA 0.161 55.996 55.803 0.055 0.000 0.886 10 Q CB 0.844 29.610 28.738 0.047 0.000 1.243 10 Q HN 0.530 nan 8.270 nan 0.000 0.415 11 Q N 1.572 121.367 119.800 -0.008 0.000 2.266 11 Q HA 0.527 4.867 4.340 -0.000 0.000 0.261 11 Q C -0.196 175.787 176.000 -0.030 0.000 0.985 11 Q CA -0.611 55.177 55.803 -0.024 0.000 0.873 11 Q CB 1.974 30.685 28.738 -0.045 0.000 1.306 11 Q HN 0.864 nan 8.270 nan 0.000 0.447 12 G N 1.617 110.406 108.800 -0.019 0.000 2.525 12 G HA2 0.402 4.362 3.960 -0.000 0.000 0.287 12 G HA3 0.402 4.362 3.960 -0.000 0.000 0.287 12 G C -2.514 172.377 174.900 -0.014 0.000 1.350 12 G CA -1.176 43.916 45.100 -0.014 0.000 1.039 12 G HN 0.332 nan 8.290 nan 0.000 0.513 13 P HA 0.184 nan 4.420 nan 0.000 0.268 13 P C -0.535 176.782 177.300 0.027 0.000 1.208 13 P CA 0.276 63.381 63.100 0.008 0.000 0.777 13 P CB 0.692 32.401 31.700 0.015 0.000 0.875 14 I N 1.275 121.877 120.570 0.053 0.000 2.410 14 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 14 I C 0.411 176.604 176.117 0.127 0.000 1.009 14 I CA -0.943 60.406 61.300 0.080 0.000 1.111 14 I CB 1.596 39.652 38.000 0.092 0.000 1.262 14 I HN 0.333 nan 8.210 nan 0.000 0.443 15 A N 5.948 128.842 122.820 0.125 0.000 2.366 15 A HA 0.251 4.571 4.320 -0.000 0.000 0.249 15 A C 1.442 179.167 177.584 0.235 0.000 1.084 15 A CA -0.127 52.008 52.037 0.162 0.000 0.794 15 A CB 0.347 19.417 19.000 0.117 0.000 1.034 15 A HN 0.922 nan 8.150 nan 0.000 0.491 16 R N 0.692 121.373 120.500 0.301 0.000 2.105 16 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 16 R C 1.597 178.054 176.300 0.262 0.000 1.135 16 R CA 1.848 58.185 56.100 0.395 0.000 0.967 16 R CB -0.237 30.263 30.300 0.333 0.000 0.861 16 R HN 0.775 nan 8.270 nan 0.000 0.442 17 A N 0.096 123.007 122.820 0.151 0.000 2.275 17 A HA 0.044 4.364 4.320 -0.000 0.000 0.212 17 A C 0.348 177.970 177.584 0.063 0.000 1.201 17 A CA -0.305 51.779 52.037 0.079 0.000 0.843 17 A CB -0.053 18.974 19.000 0.046 0.000 0.873 17 A HN 0.428 nan 8.150 nan 0.000 0.492 18 E N 1.904 122.157 120.200 0.089 0.000 2.366 18 E HA 0.211 4.561 4.350 -0.000 0.000 0.266 18 E C 0.364 176.993 176.600 0.048 0.000 1.015 18 E CA 0.103 56.541 56.400 0.062 0.000 0.906 18 E CB 0.478 30.221 29.700 0.072 0.000 0.979 18 E HN 0.454 nan 8.360 nan 0.000 0.443 19 T N 1.992 116.556 114.554 0.018 0.000 2.868 19 T HA 0.181 4.531 4.350 -0.000 0.000 0.292 19 T C 1.066 175.766 174.700 -0.000 0.000 1.028 19 T CA -0.502 61.598 62.100 -0.000 0.000 1.059 19 T CB 1.235 70.095 68.868 -0.014 0.000 0.991 19 T HN 0.581 nan 8.240 nan 0.000 0.531 20 R N 0.627 121.121 120.500 -0.009 0.000 2.120 20 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 20 R C 2.349 178.633 176.300 -0.027 0.000 1.123 20 R CA 1.609 57.701 56.100 -0.012 0.000 0.975 20 R CB -0.254 30.037 30.300 -0.015 0.000 0.866 20 R HN 0.751 nan 8.270 nan 0.000 0.446 21 E N 0.673 120.858 120.200 -0.026 0.000 2.077 21 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 21 E C 1.996 178.577 176.600 -0.032 0.000 0.989 21 E CA 1.255 57.637 56.400 -0.029 0.000 0.800 21 E CB 0.009 29.694 29.700 -0.025 0.000 0.746 21 E HN 0.352 nan 8.360 nan 0.000 0.452 22 Q N -0.127 119.658 119.800 -0.025 0.000 2.119 22 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 22 Q C 2.235 178.212 176.000 -0.039 0.000 0.972 22 Q CA 1.253 57.041 55.803 -0.025 0.000 0.847 22 Q CB 0.061 28.793 28.738 -0.011 0.000 0.903 22 Q HN 0.173 nan 8.270 nan 0.000 0.433 23 V N 0.097 119.986 119.914 -0.042 0.000 2.427 23 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 23 V C 2.166 178.187 176.094 -0.121 0.000 1.051 23 V CA 1.219 63.477 62.300 -0.070 0.000 1.048 23 V CB -0.333 31.459 31.823 -0.051 0.000 0.666 23 V HN 0.176 nan 8.190 nan 0.000 0.456 24 V N -0.285 119.566 119.914 -0.105 0.000 2.407 24 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 24 V C 2.431 178.452 176.094 -0.122 0.000 1.055 24 V CA 1.672 63.894 62.300 -0.130 0.000 1.049 24 V CB -0.288 31.485 31.823 -0.083 0.000 0.662 24 V HN 0.415 nan 8.190 nan 0.000 0.455 25 V N -0.111 119.753 119.914 -0.084 0.000 2.343 25 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 25 V C 2.576 178.621 176.094 -0.081 0.000 1.051 25 V CA 2.136 64.396 62.300 -0.067 0.000 1.036 25 V CB -0.720 31.077 31.823 -0.044 0.000 0.654 25 V HN 0.486 nan 8.190 nan 0.000 0.451 26 R N -0.560 119.882 120.500 -0.097 0.000 2.075 26 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 26 R C 2.271 178.476 176.300 -0.159 0.000 1.126 26 R CA 1.240 57.279 56.100 -0.103 0.000 0.963 26 R CB -0.337 29.905 30.300 -0.096 0.000 0.858 26 R HN 0.411 nan 8.270 nan 0.000 0.435 27 L N 0.423 121.485 121.223 -0.269 0.000 2.056 27 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 27 L C 2.298 179.022 176.870 -0.243 0.000 1.078 27 L CA 1.076 55.635 54.840 -0.469 0.000 0.749 27 L CB -0.366 41.253 42.059 -0.733 0.000 0.901 27 L HN 0.196 nan 8.230 nan 0.000 0.433 28 L N -0.277 120.845 121.223 -0.168 0.000 2.046 28 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 28 L C 2.229 179.077 176.870 -0.037 0.000 1.077 28 L CA 1.454 56.243 54.840 -0.085 0.000 0.747 28 L CB -0.493 41.527 42.059 -0.066 0.000 0.896 28 L HN 0.301 nan 8.230 nan 0.000 0.432 29 D N -0.168 120.208 120.400 -0.041 0.000 2.097 29 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 29 D C 2.324 178.630 176.300 0.011 0.000 0.989 29 D CA 1.483 55.474 54.000 -0.015 0.000 0.827 29 D CB 0.069 40.857 40.800 -0.019 0.000 0.966 29 D HN 0.162 nan 8.370 nan 0.000 0.456 30 M N -0.370 119.246 119.600 0.028 0.000 2.132 30 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 30 M C 2.362 178.723 176.300 0.102 0.000 1.065 30 M CA 0.707 56.059 55.300 0.087 0.000 1.122 30 M CB -0.257 32.444 32.600 0.170 0.000 1.365 30 M HN 0.164 nan 8.290 nan 0.000 0.411 31 L N -0.004 121.298 121.223 0.132 0.000 2.083 31 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 31 L C 2.277 179.163 176.870 0.027 0.000 1.083 31 L CA 1.452 56.341 54.840 0.082 0.000 0.752 31 L CB -0.335 41.775 42.059 0.084 0.000 0.899 31 L HN 0.228 nan 8.230 nan 0.000 0.433 32 T N -0.447 114.120 114.554 0.022 0.000 2.777 32 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 32 T C 1.854 176.562 174.700 0.013 0.000 1.040 32 T CA 1.537 63.645 62.100 0.013 0.000 1.141 32 T CB -0.088 68.785 68.868 0.008 0.000 0.868 32 T HN 0.324 nan 8.240 nan 0.000 0.444 33 K N 1.080 121.490 120.400 0.017 0.000 2.097 33 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 33 K C 2.667 179.275 176.600 0.014 0.000 1.050 33 K CA 1.088 57.385 56.287 0.017 0.000 0.938 33 K CB -0.250 32.263 32.500 0.021 0.000 0.718 33 K HN 0.267 nan 8.250 nan 0.000 0.442 34 A N 1.576 124.403 122.820 0.011 0.000 1.877 34 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 34 A C 2.384 179.966 177.584 -0.003 0.000 1.186 34 A CA 1.868 53.905 52.037 -0.001 0.000 0.620 34 A CB -0.722 18.263 19.000 -0.025 0.000 0.822 34 A HN 0.328 nan 8.150 nan 0.000 0.443 35 A N 0.326 123.144 122.820 -0.003 0.000 1.933 35 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 35 A C 2.479 180.065 177.584 0.004 0.000 1.175 35 A CA 2.320 54.357 52.037 0.000 0.000 0.628 35 A CB -0.976 18.026 19.000 0.004 0.000 0.814 35 A HN 1.070 nan 8.150 nan 0.000 0.444 36 S N -0.354 115.349 115.700 0.006 0.000 2.447 36 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 36 S C 1.582 176.186 174.600 0.007 0.000 1.006 36 S CA 1.113 59.317 58.200 0.007 0.000 0.957 36 S CB -0.326 62.880 63.200 0.009 0.000 0.773 36 S HN 0.597 nan 8.310 nan 0.000 0.507 37 R N 0.544 121.049 120.500 0.007 0.000 2.426 37 R HA 0.345 4.685 4.340 -0.000 0.000 0.263 37 R C 1.406 177.709 176.300 0.004 0.000 0.961 37 R CA 0.375 56.480 56.100 0.007 0.000 1.086 37 R CB 0.020 30.326 30.300 0.010 0.000 1.186 37 R HN 0.578 nan 8.270 nan 0.000 0.537 38 G N 0.284 109.085 108.800 0.002 0.000 2.176 38 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 38 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 38 G C 0.325 175.223 174.900 -0.003 0.000 0.979 38 G CA -0.033 45.067 45.100 -0.001 0.000 0.641 38 G HN 0.505 nan 8.290 nan 0.000 0.530 39 A N 0.713 123.531 122.820 -0.003 0.000 2.462 39 A HA 0.531 4.851 4.320 -0.000 0.000 0.243 39 A C 1.252 178.839 177.584 0.005 0.000 1.076 39 A CA 0.897 52.932 52.037 -0.003 0.000 0.773 39 A CB 0.181 19.174 19.000 -0.011 0.000 1.010 39 A HN 1.048 nan 8.150 nan 0.000 0.493 40 N N 0.853 119.569 118.700 0.026 0.000 2.171 40 N HA 0.171 4.911 4.740 -0.000 0.000 0.212 40 N C -0.751 174.834 175.510 0.125 0.000 1.184 40 N CA 0.077 53.157 53.050 0.049 0.000 0.888 40 N CB 0.523 39.032 38.487 0.037 0.000 1.038 40 N HN 0.460 nan 8.380 nan 0.000 0.517 41 F N 0.620 120.528 119.950 -0.071 0.000 2.654 41 F HA 0.529 5.056 4.527 -0.000 0.000 0.314 41 F C -2.007 173.723 175.800 -0.118 0.000 1.116 41 F CA -1.021 56.927 58.000 -0.087 0.000 1.017 41 F CB 1.666 40.610 39.000 -0.093 0.000 1.285 41 F HN -0.105 nan 8.300 nan 0.000 0.448 42 I N 6.487 126.662 120.570 -0.657 0.000 2.533 42 I HA 0.624 4.794 4.170 -0.000 0.000 0.290 42 I C -1.560 174.107 176.117 -0.751 0.000 1.056 42 I CA -0.825 60.146 61.300 -0.548 0.000 1.057 42 I CB 1.688 39.332 38.000 -0.593 0.000 1.240 42 I HN 0.362 nan 8.210 nan 0.000 0.423 43 V N 8.010 127.695 119.914 -0.382 0.000 2.432 43 V HA 0.385 4.505 4.120 -0.000 0.000 0.275 43 V C -0.181 175.740 176.094 -0.289 0.000 1.043 43 V CA -0.053 62.112 62.300 -0.225 0.000 0.925 43 V CB 0.968 32.813 31.823 0.037 0.000 0.985 43 V HN 0.498 nan 8.190 nan 0.000 0.466 44 F N 4.855 124.803 119.950 -0.004 0.000 2.509 44 F HA 0.546 5.073 4.527 -0.000 0.000 0.334 44 F C -1.900 173.887 175.800 -0.023 0.000 1.060 44 F CA -2.638 55.343 58.000 -0.033 0.000 0.997 44 F CB 1.751 40.712 39.000 -0.064 0.000 1.271 44 F HN 0.326 nan 8.300 nan 0.000 0.488 45 P HA -0.007 nan 4.420 nan 0.000 0.274 45 P C -1.113 176.230 177.300 0.072 0.000 1.260 45 P CA -0.427 62.695 63.100 0.037 0.000 0.793 45 P CB 0.406 32.079 31.700 -0.046 0.000 1.048 46 E N 1.435 121.664 120.200 0.048 0.000 2.373 46 E HA 0.060 4.410 4.350 -0.000 0.000 0.267 46 E C -0.155 176.510 176.600 0.108 0.000 1.032 46 E CA -0.353 56.099 56.400 0.087 0.000 0.889 46 E CB -0.204 29.566 29.700 0.117 0.000 0.984 46 E HN 0.347 nan 8.360 nan 0.000 0.425 47 L N 2.624 123.918 121.223 0.119 0.000 3.879 47 L HA -0.302 4.038 4.340 -0.000 0.000 0.481 47 L C 0.901 177.867 176.870 0.160 0.000 1.232 47 L CA 0.385 55.324 54.840 0.164 0.000 0.736 47 L CB -1.473 40.694 42.059 0.180 0.000 1.511 47 L HN 0.695 nan 8.230 nan 0.000 0.830 48 A N -0.040 122.860 122.820 0.134 0.000 2.235 48 A HA 0.193 4.513 4.320 -0.000 0.000 0.208 48 A C 1.737 179.344 177.584 0.038 0.000 1.172 48 A CA 0.746 52.820 52.037 0.061 0.000 0.786 48 A CB -0.035 18.979 19.000 0.024 0.000 0.804 48 A HN 0.633 nan 8.150 nan 0.000 0.479 49 L N -0.493 120.795 121.223 0.109 0.000 2.616 49 L HA 0.152 4.492 4.340 -0.000 0.000 0.229 49 L C 0.964 177.917 176.870 0.139 0.000 1.110 49 L CA 0.701 55.595 54.840 0.089 0.000 0.884 49 L CB 0.150 42.272 42.059 0.104 0.000 1.115 49 L HN 0.520 nan 8.230 nan 0.000 0.481 50 T N -5.763 108.917 114.554 0.209 0.000 2.812 50 T HA 0.258 4.608 4.350 -0.000 0.000 0.294 50 T C -0.167 174.708 174.700 0.290 0.000 1.159 50 T CA -0.508 61.775 62.100 0.306 0.000 1.008 50 T CB 2.110 71.279 68.868 0.501 0.000 1.289 50 T HN -0.206 nan 8.240 nan 0.000 0.514 51 T N 0.127 114.891 114.554 0.350 0.000 2.813 51 T HA 0.353 4.703 4.350 -0.000 0.000 0.297 51 T C -0.561 174.259 174.700 0.200 0.000 1.036 51 T CA -0.473 61.783 62.100 0.260 0.000 1.044 51 T CB -0.277 68.793 68.868 0.337 0.000 0.993 51 T HN 0.479 nan 8.240 nan 0.000 0.535 52 F N 5.979 125.859 119.950 -0.117 0.000 2.652 52 F HA 0.236 4.763 4.527 0.000 0.000 0.352 52 F C 0.860 176.377 175.800 -0.471 0.000 1.259 52 F CA -1.691 56.138 58.000 -0.285 0.000 1.249 52 F CB -1.003 37.831 39.000 -0.277 0.000 1.628 52 F HN 0.641 nan 8.300 nan 0.000 0.654 53 F N 2.575 122.180 119.950 -0.574 0.000 2.373 53 F HA 0.069 4.596 4.527 0.000 0.000 0.300 53 F C -1.310 174.267 175.800 -0.371 0.000 1.080 53 F CA -0.156 57.525 58.000 -0.531 0.000 1.417 53 F CB -2.284 36.275 39.000 -0.736 0.000 1.070 53 F HN 0.180 nan 8.300 nan 0.000 0.546 54 P HA -0.132 nan 4.420 nan 0.000 0.236 54 P C 0.854 178.002 177.300 -0.253 0.000 1.172 54 P CA 1.219 64.005 63.100 -0.523 0.000 0.759 54 P CB -0.257 30.834 31.700 -1.014 0.000 0.843 55 R N -2.451 117.818 120.500 -0.385 0.000 2.307 55 R HA 0.013 4.353 4.340 -0.000 0.000 0.199 55 R C 0.238 176.472 176.300 -0.110 0.000 1.000 55 R CA 0.305 56.273 56.100 -0.221 0.000 1.023 55 R CB -0.191 29.862 30.300 -0.412 0.000 0.908 55 R HN 0.101 nan 8.270 nan 0.000 0.473 56 W N 0.911 122.347 121.300 0.226 0.000 2.706 56 W HA 0.296 4.956 4.660 -0.000 0.000 0.346 56 W C -0.278 176.434 176.519 0.322 0.000 1.071 56 W CA -1.304 56.138 57.345 0.161 0.000 1.206 56 W CB 0.665 30.020 29.460 -0.174 0.000 1.413 56 W HN 0.008 nan 8.180 nan 0.000 0.542 57 H N 2.414 121.738 119.070 0.424 0.000 2.761 57 H HA 0.235 4.791 4.556 -0.000 0.000 0.284 57 H C -1.120 174.345 175.328 0.229 0.000 1.105 57 H CA -0.204 56.081 56.048 0.396 0.000 1.352 57 H CB 0.011 29.945 29.762 0.287 0.000 1.423 57 H HN 0.080 nan 8.280 nan 0.000 0.464 58 F N 2.591 122.527 119.950 -0.024 0.000 2.389 58 F HA 0.067 4.594 4.527 -0.000 0.000 0.337 58 F C 1.797 177.480 175.800 -0.195 0.000 1.112 58 F CA 0.277 58.225 58.000 -0.086 0.000 1.192 58 F CB 1.748 40.670 39.000 -0.130 0.000 1.185 58 F HN 0.575 nan 8.300 nan 0.000 0.552 59 T N -3.406 111.196 114.554 0.080 0.000 2.986 59 T HA 0.119 4.469 4.350 -0.000 0.000 0.264 59 T C -0.196 174.541 174.700 0.061 0.000 0.964 59 T CA -0.188 61.945 62.100 0.055 0.000 0.895 59 T CB 0.095 68.998 68.868 0.058 0.000 1.163 59 T HN 0.488 nan 8.240 nan 0.000 0.517 60 D N 1.194 121.653 120.400 0.099 0.000 2.481 60 D HA 0.225 4.865 4.640 -0.000 0.000 0.246 60 D C 0.570 176.904 176.300 0.057 0.000 1.109 60 D CA -0.249 53.790 54.000 0.064 0.000 0.845 60 D CB 2.405 43.236 40.800 0.052 0.000 1.160 60 D HN 0.250 nan 8.370 nan 0.000 0.534 61 E N 2.831 123.024 120.200 -0.011 0.000 2.110 61 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 61 E C 1.670 178.208 176.600 -0.102 0.000 0.988 61 E CA 1.170 57.523 56.400 -0.078 0.000 0.804 61 E CB 0.219 29.868 29.700 -0.085 0.000 0.745 61 E HN 0.570 nan 8.360 nan 0.000 0.458 62 A N 1.193 123.974 122.820 -0.064 0.000 1.902 62 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 62 A C 1.914 179.456 177.584 -0.071 0.000 1.181 62 A CA 1.659 53.651 52.037 -0.075 0.000 0.623 62 A CB -0.487 18.480 19.000 -0.056 0.000 0.818 62 A HN 0.325 nan 8.150 nan 0.000 0.443 63 E N -0.721 119.480 120.200 0.001 0.000 2.077 63 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 63 E C 1.974 178.631 176.600 0.095 0.000 0.989 63 E CA 1.218 57.671 56.400 0.088 0.000 0.800 63 E CB -0.308 29.536 29.700 0.240 0.000 0.746 63 E HN 0.508 nan 8.360 nan 0.000 0.452 64 L N 1.942 123.104 121.223 -0.102 0.000 2.017 64 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 64 L C 1.538 178.231 176.870 -0.296 0.000 1.073 64 L CA 1.960 56.444 54.840 -0.593 0.000 0.745 64 L CB -0.402 41.185 42.059 -0.787 0.000 0.894 64 L HN -0.071 nan 8.230 nan 0.000 0.432 65 D N -0.647 119.591 120.400 -0.271 0.000 2.182 65 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 65 D C 2.438 178.681 176.300 -0.094 0.000 0.986 65 D CA 1.437 55.293 54.000 -0.239 0.000 0.847 65 D CB -0.250 40.417 40.800 -0.223 0.000 0.942 65 D HN 0.604 nan 8.370 nan 0.000 0.467 66 S N -0.422 115.169 115.700 -0.181 0.000 2.440 66 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 66 S C 1.644 176.009 174.600 -0.393 0.000 1.010 66 S CA 0.563 58.583 58.200 -0.300 0.000 0.972 66 S CB -0.725 62.216 63.200 -0.432 0.000 0.774 66 S HN 0.216 nan 8.310 nan 0.000 0.501 67 F N 0.360 120.193 119.950 -0.196 0.000 2.797 67 F HA 0.415 4.942 4.527 -0.000 0.000 0.302 67 F C 0.317 175.961 175.800 -0.260 0.000 1.130 67 F CA -0.636 57.155 58.000 -0.348 0.000 1.387 67 F CB -0.082 38.296 39.000 -1.037 0.000 1.107 67 F HN 0.126 nan 8.300 nan 0.000 0.577 68 Y N 0.196 120.455 120.300 -0.068 0.000 2.534 68 Y HA 0.434 4.984 4.550 0.000 0.000 0.329 68 Y C 0.376 176.324 175.900 0.081 0.000 1.154 68 Y CA -1.711 56.432 58.100 0.071 0.000 1.192 68 Y CB 0.670 39.153 38.460 0.039 0.000 1.275 68 Y HN -0.204 nan 8.280 nan 0.000 0.491 69 E N 0.240 120.637 120.200 0.327 0.000 2.175 69 E HA 0.222 4.572 4.350 -0.000 0.000 0.278 69 E C 0.281 176.997 176.600 0.194 0.000 0.969 69 E CA -0.174 56.343 56.400 0.196 0.000 0.796 69 E CB 1.395 31.177 29.700 0.136 0.000 1.104 69 E HN 0.757 nan 8.360 nan 0.000 0.395 70 T N -0.977 113.636 114.554 0.097 0.000 3.040 70 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 70 T C 0.410 175.140 174.700 0.050 0.000 1.058 70 T CA -0.057 62.089 62.100 0.077 0.000 0.988 70 T CB 0.151 69.038 68.868 0.032 0.000 0.993 70 T HN 0.527 nan 8.240 nan 0.000 0.519 71 E N 0.177 120.387 120.200 0.017 0.000 2.392 71 E HA 0.619 4.969 4.350 -0.000 0.000 0.279 71 E C -1.607 174.940 176.600 -0.088 0.000 0.964 71 E CA -1.311 55.075 56.400 -0.023 0.000 0.777 71 E CB 1.728 31.402 29.700 -0.044 0.000 1.249 71 E HN 0.067 nan 8.360 nan 0.000 0.449 72 M N 2.926 122.456 119.600 -0.117 0.000 2.164 72 M HA 0.401 4.881 4.480 -0.000 0.000 0.260 72 M C -2.939 173.199 176.300 -0.270 0.000 0.974 72 M CA -1.693 53.482 55.300 -0.208 0.000 1.020 72 M CB 1.873 34.338 32.600 -0.226 0.000 1.903 72 M HN 0.521 nan 8.290 nan 0.000 0.469 73 P HA 0.662 nan 4.420 nan 0.000 0.287 73 P C -0.242 176.904 177.300 -0.257 0.000 1.270 73 P CA -0.335 62.512 63.100 -0.422 0.000 0.844 73 P CB 1.596 32.821 31.700 -0.792 0.000 1.068 74 G N 1.191 109.892 108.800 -0.165 0.000 2.543 74 G HA2 0.347 4.307 3.960 -0.000 0.000 0.290 74 G HA3 0.347 4.307 3.960 -0.000 0.000 0.290 74 G C -1.806 173.035 174.900 -0.099 0.000 1.310 74 G CA -1.314 43.719 45.100 -0.111 0.000 1.025 74 G HN 0.240 nan 8.290 nan 0.000 0.502 75 P HA -0.080 nan 4.420 nan 0.000 0.218 75 P C 1.927 179.201 177.300 -0.042 0.000 1.148 75 P CA 0.527 63.593 63.100 -0.056 0.000 0.822 75 P CB 0.151 31.824 31.700 -0.045 0.000 0.784 76 V N -0.980 118.910 119.914 -0.041 0.000 2.453 76 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 76 V C 2.222 178.304 176.094 -0.019 0.000 1.048 76 V CA 1.549 63.831 62.300 -0.030 0.000 1.049 76 V CB -0.832 30.972 31.823 -0.032 0.000 0.672 76 V HN -0.024 nan 8.190 nan 0.000 0.457 77 V N -0.482 119.422 119.914 -0.017 0.000 3.235 77 V HA -0.019 4.101 4.120 -0.000 0.000 0.259 77 V C 2.404 178.566 176.094 0.113 0.000 1.133 77 V CA 1.010 63.331 62.300 0.035 0.000 1.128 77 V CB -0.648 31.203 31.823 0.045 0.000 0.757 77 V HN 0.425 nan 8.190 nan 0.000 0.469 78 R N 0.830 121.338 120.500 0.013 0.000 2.119 78 R HA -0.208 4.132 4.340 -0.000 0.000 0.246 78 R C -0.258 176.129 176.300 0.145 0.000 1.146 78 R CA 2.168 58.277 56.100 0.014 0.000 0.962 78 R CB -1.206 29.060 30.300 -0.058 0.000 0.863 78 R HN 0.410 nan 8.270 nan 0.000 0.442 79 P HA -0.179 nan 4.420 nan 0.000 0.217 79 P C 1.100 178.462 177.300 0.105 0.000 1.148 79 P CA 0.933 64.079 63.100 0.077 0.000 0.828 79 P CB -0.037 31.679 31.700 0.027 0.000 0.783 80 L N -1.880 119.415 121.223 0.121 0.000 2.046 80 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 80 L C 2.017 178.977 176.870 0.150 0.000 1.077 80 L CA 1.849 56.701 54.840 0.021 0.000 0.747 80 L CB -1.258 40.704 42.059 -0.161 0.000 0.896 80 L HN -0.150 nan 8.230 nan 0.000 0.432 81 F N 0.289 120.334 119.950 0.158 0.000 2.186 81 F HA -0.136 4.391 4.527 0.000 0.000 0.299 81 F C 2.444 178.324 175.800 0.134 0.000 1.090 81 F CA 1.503 59.646 58.000 0.237 0.000 1.307 81 F CB -0.633 38.459 39.000 0.155 0.000 1.019 81 F HN 0.191 nan 8.300 nan 0.000 0.489 82 E N -0.157 120.206 120.200 0.271 0.000 2.106 82 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 82 E C 1.995 178.661 176.600 0.109 0.000 0.984 82 E CA 1.147 57.638 56.400 0.152 0.000 0.806 82 E CB -0.153 29.608 29.700 0.102 0.000 0.750 82 E HN 0.102 nan 8.360 nan 0.000 0.458 83 K N 1.214 121.673 120.400 0.098 0.000 2.155 83 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 83 K C 1.831 178.474 176.600 0.071 0.000 1.052 83 K CA 1.138 57.462 56.287 0.063 0.000 0.948 83 K CB -0.273 32.247 32.500 0.034 0.000 0.728 83 K HN 0.090 nan 8.250 nan 0.000 0.448 84 A N 0.526 123.412 122.820 0.111 0.000 1.902 84 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 84 A C 2.353 179.981 177.584 0.074 0.000 1.181 84 A CA 2.007 54.115 52.037 0.119 0.000 0.623 84 A CB -0.992 18.149 19.000 0.235 0.000 0.818 84 A HN 0.388 nan 8.150 nan 0.000 0.443 85 A N -0.567 122.303 122.820 0.083 0.000 1.898 85 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 85 A C 2.039 179.650 177.584 0.047 0.000 1.181 85 A CA 1.655 53.728 52.037 0.060 0.000 0.620 85 A CB -0.499 18.546 19.000 0.074 0.000 0.819 85 A HN 0.662 nan 8.150 nan 0.000 0.442 86 E N -0.042 120.187 120.200 0.049 0.000 2.051 86 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 86 E C 1.602 178.219 176.600 0.029 0.000 0.991 86 E CA 1.271 57.693 56.400 0.036 0.000 0.799 86 E CB -0.169 29.552 29.700 0.035 0.000 0.748 86 E HN 0.613 nan 8.360 nan 0.000 0.449 87 L N -0.466 120.775 121.223 0.029 0.000 2.591 87 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 87 L C 1.102 177.984 176.870 0.020 0.000 1.133 87 L CA 0.306 55.159 54.840 0.022 0.000 0.880 87 L CB 0.138 42.209 42.059 0.020 0.000 1.033 87 L HN 0.365 nan 8.230 nan 0.000 0.450 88 G N 2.099 110.914 108.800 0.024 0.000 2.298 88 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.287 88 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.287 88 G C -0.282 174.630 174.900 0.020 0.000 1.075 88 G CA 0.333 45.445 45.100 0.021 0.000 0.960 88 G HN 0.373 nan 8.290 nan 0.000 0.502 89 I N 0.623 121.203 120.570 0.018 0.000 2.534 89 I HA 0.645 4.815 4.170 -0.000 0.000 0.286 89 I C 0.657 176.755 176.117 -0.031 0.000 1.094 89 I CA -0.379 60.922 61.300 0.000 0.000 1.055 89 I CB 1.017 39.008 38.000 -0.015 0.000 1.225 89 I HN 0.264 nan 8.210 nan 0.000 0.435 90 G N 5.599 114.360 108.800 -0.066 0.000 2.588 90 G HA2 0.581 4.541 3.960 -0.000 0.000 0.281 90 G HA3 0.581 4.541 3.960 -0.000 0.000 0.281 90 G C -1.044 173.399 174.900 -0.762 0.000 1.236 90 G CA -0.333 44.618 45.100 -0.249 0.000 0.969 90 G HN 0.697 nan 8.290 nan 0.000 0.504 91 F N -2.159 117.206 119.950 -0.974 0.000 2.713 91 F HA 0.574 5.101 4.527 -0.000 0.000 0.311 91 F C -1.237 174.188 175.800 -0.624 0.000 1.141 91 F CA -1.770 55.512 58.000 -1.196 0.000 0.939 91 F CB 1.700 40.296 39.000 -0.675 0.000 1.325 91 F HN 0.419 nan 8.300 nan 0.000 0.453 92 N N 2.064 120.686 118.700 -0.131 0.000 2.446 92 N HA 0.490 5.230 4.740 -0.000 0.000 0.265 92 N C -2.184 173.512 175.510 0.310 0.000 0.975 92 N CA -0.311 52.838 53.050 0.164 0.000 0.928 92 N CB 1.665 40.272 38.487 0.200 0.000 1.160 92 N HN 0.880 nan 8.380 nan 0.000 0.495 93 L N 2.950 124.419 121.223 0.410 0.000 2.333 93 L HA 0.763 5.103 4.340 -0.000 0.000 0.280 93 L C 0.220 177.317 176.870 0.377 0.000 1.004 93 L CA -0.489 54.616 54.840 0.443 0.000 0.820 93 L CB 1.581 43.949 42.059 0.514 0.000 1.247 93 L HN 0.576 nan 8.230 nan 0.000 0.416 94 G N 3.755 112.729 108.800 0.290 0.000 2.367 94 G HA2 0.566 4.526 3.960 -0.000 0.000 0.314 94 G HA3 0.566 4.526 3.960 -0.000 0.000 0.314 94 G C -1.650 173.433 174.900 0.305 0.000 1.130 94 G CA -0.203 45.020 45.100 0.205 0.000 0.864 94 G HN 0.807 nan 8.290 nan 0.000 0.486 95 Y N -1.442 118.915 120.300 0.094 0.000 2.713 95 Y HA 0.712 5.262 4.550 -0.000 0.000 0.335 95 Y C -0.365 175.591 175.900 0.094 0.000 1.222 95 Y CA -1.718 56.446 58.100 0.107 0.000 1.061 95 Y CB 0.885 39.420 38.460 0.126 0.000 1.314 95 Y HN 0.834 nan 8.280 nan 0.000 0.453 96 A N 1.626 124.595 122.820 0.250 0.000 2.276 96 A HA 0.470 4.790 4.320 -0.000 0.000 0.300 96 A C -0.498 177.304 177.584 0.364 0.000 1.235 96 A CA -0.431 51.695 52.037 0.148 0.000 0.867 96 A CB 0.394 19.326 19.000 -0.114 0.000 1.137 96 A HN 0.707 nan 8.150 nan 0.000 0.527 97 E N 2.612 123.041 120.200 0.381 0.000 2.134 97 E HA 0.467 4.817 4.350 -0.000 0.000 0.278 97 E C -1.664 175.262 176.600 0.543 0.000 0.959 97 E CA -0.639 56.053 56.400 0.487 0.000 0.783 97 E CB 0.987 30.878 29.700 0.318 0.000 1.095 97 E HN 0.545 nan 8.360 nan 0.000 0.399 98 L N 5.987 127.461 121.223 0.418 0.000 2.298 98 L HA 0.426 4.766 4.340 -0.000 0.000 0.284 98 L C -1.615 175.335 176.870 0.134 0.000 1.013 98 L CA -0.652 54.298 54.840 0.183 0.000 0.824 98 L CB 1.514 43.590 42.059 0.029 0.000 1.221 98 L HN 0.353 nan 8.230 nan 0.000 0.418 99 V N 5.342 125.315 119.914 0.099 0.000 2.680 99 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 99 V C -0.530 175.581 176.094 0.028 0.000 1.052 99 V CA -0.807 61.550 62.300 0.094 0.000 0.908 99 V CB 2.044 33.966 31.823 0.165 0.000 1.001 99 V HN 0.454 nan 8.190 nan 0.000 0.431 100 V N 3.663 123.590 119.914 0.021 0.000 2.357 100 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 100 V C -0.245 175.854 176.094 0.008 0.000 1.018 100 V CA -0.523 61.775 62.300 -0.003 0.000 0.841 100 V CB 1.344 33.158 31.823 -0.015 0.000 0.991 100 V HN 0.964 nan 8.190 nan 0.000 0.437 101 E N 3.443 123.646 120.200 0.005 0.000 2.145 101 E HA 0.511 4.861 4.350 -0.000 0.000 0.262 101 E C 0.828 177.429 176.600 0.001 0.000 0.883 101 E CA -0.391 56.015 56.400 0.011 0.000 0.748 101 E CB 1.670 31.383 29.700 0.023 0.000 1.140 101 E HN 0.967 nan 8.360 nan 0.000 0.417 102 G N 2.721 111.521 108.800 -0.000 0.000 2.356 102 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 102 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 102 G C 0.932 175.826 174.900 -0.010 0.000 1.022 102 G CA 0.654 45.752 45.100 -0.004 0.000 0.961 102 G HN 1.135 nan 8.290 nan 0.000 0.510 103 G N -3.322 105.470 108.800 -0.014 0.000 2.179 103 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.260 103 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.260 103 G C 0.398 175.280 174.900 -0.029 0.000 0.977 103 G CA 0.586 45.673 45.100 -0.022 0.000 0.641 103 G HN 1.682 nan 8.290 nan 0.000 0.533 104 V N 1.294 121.192 119.914 -0.027 0.000 2.427 104 V HA 0.441 4.561 4.120 -0.000 0.000 0.286 104 V C 0.555 176.620 176.094 -0.048 0.000 1.034 104 V CA -0.776 61.502 62.300 -0.037 0.000 0.893 104 V CB 1.659 33.465 31.823 -0.029 0.000 0.982 104 V HN 0.296 nan 8.190 nan 0.000 0.452 105 K N 5.128 125.483 120.400 -0.074 0.000 2.276 105 K HA 0.525 4.845 4.320 -0.000 0.000 0.283 105 K C -0.365 176.159 176.600 -0.126 0.000 1.044 105 K CA -0.439 55.786 56.287 -0.103 0.000 0.944 105 K CB 1.020 33.433 32.500 -0.145 0.000 1.012 105 K HN 0.537 nan 8.250 nan 0.000 0.472 106 R N 3.031 123.454 120.500 -0.128 0.000 2.494 106 R HA 0.376 4.716 4.340 -0.000 0.000 0.305 106 R C -0.423 175.705 176.300 -0.287 0.000 0.959 106 R CA -0.842 55.121 56.100 -0.228 0.000 0.864 106 R CB 1.872 32.095 30.300 -0.130 0.000 1.159 106 R HN 0.483 nan 8.270 nan 0.000 0.446 107 R N 2.697 122.943 120.500 -0.423 0.000 2.534 107 R HA 0.498 4.838 4.340 -0.000 0.000 0.301 107 R C -1.022 175.142 176.300 -0.226 0.000 0.961 107 R CA -0.452 55.566 56.100 -0.137 0.000 0.871 107 R CB 1.486 31.788 30.300 0.005 0.000 1.170 107 R HN 0.394 nan 8.270 nan 0.000 0.446 108 F N 0.432 120.624 119.950 0.404 0.000 2.599 108 F HA 0.316 4.843 4.527 -0.000 0.000 0.311 108 F C 0.194 175.925 175.800 -0.116 0.000 1.076 108 F CA -1.140 56.953 58.000 0.155 0.000 0.937 108 F CB 1.885 40.865 39.000 -0.034 0.000 1.282 108 F HN 0.328 nan 8.300 nan 0.000 0.460 109 N N 1.524 119.967 118.700 -0.429 0.000 2.462 109 N HA 0.325 5.065 4.740 -0.000 0.000 0.242 109 N C -1.205 174.053 175.510 -0.419 0.000 1.010 109 N CA 0.157 52.692 53.050 -0.858 0.000 0.939 109 N CB 0.992 38.795 38.487 -1.139 0.000 1.127 109 N HN 0.635 nan 8.380 nan 0.000 0.509 110 T N 1.012 115.313 114.554 -0.421 0.000 2.942 110 T HA 0.643 4.993 4.350 -0.000 0.000 0.289 110 T C -0.538 173.926 174.700 -0.394 0.000 1.044 110 T CA -0.691 61.127 62.100 -0.469 0.000 1.023 110 T CB 1.253 69.730 68.868 -0.651 0.000 1.123 110 T HN 0.535 nan 8.240 nan 0.000 0.512 111 S N 0.820 116.407 115.700 -0.188 0.000 2.536 111 S HA 0.792 5.262 4.470 -0.000 0.000 0.271 111 S C -0.885 173.777 174.600 0.105 0.000 1.134 111 S CA -1.024 57.191 58.200 0.025 0.000 0.897 111 S CB 0.805 64.064 63.200 0.098 0.000 1.094 111 S HN 0.862 nan 8.310 nan 0.000 0.473 112 I N -0.403 120.287 120.570 0.199 0.000 2.785 112 I HA 0.686 4.856 4.170 -0.000 0.000 0.302 112 I C -1.390 174.767 176.117 0.067 0.000 1.069 112 I CA -1.559 59.823 61.300 0.137 0.000 1.045 112 I CB 1.718 39.855 38.000 0.229 0.000 1.236 112 I HN 0.578 nan 8.210 nan 0.000 0.429 113 L N 4.857 126.055 121.223 -0.041 0.000 2.296 113 L HA 0.634 4.974 4.340 -0.000 0.000 0.286 113 L C -0.727 176.043 176.870 -0.166 0.000 1.023 113 L CA -0.946 53.873 54.840 -0.034 0.000 0.812 113 L CB 1.857 43.895 42.059 -0.036 0.000 1.223 113 L HN 0.409 nan 8.230 nan 0.000 0.421 114 V N 1.849 121.556 119.914 -0.345 0.000 2.495 114 V HA 0.258 4.378 4.120 -0.000 0.000 0.298 114 V C -0.377 175.537 176.094 -0.299 0.000 1.031 114 V CA -0.870 61.119 62.300 -0.518 0.000 0.871 114 V CB 1.953 32.968 31.823 -1.345 0.000 0.988 114 V HN 0.804 nan 8.190 nan 0.000 0.432 115 D N 3.878 124.193 120.400 -0.141 0.000 2.433 115 D HA 0.119 4.759 4.640 -0.000 0.000 0.255 115 D C 1.001 177.273 176.300 -0.047 0.000 1.226 115 D CA -0.736 53.248 54.000 -0.027 0.000 1.015 115 D CB 0.628 41.424 40.800 -0.007 0.000 1.091 115 D HN 0.595 nan 8.370 nan 0.000 0.527 116 K N -0.910 119.498 120.400 0.012 0.000 2.574 116 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 116 K C 0.564 177.169 176.600 0.009 0.000 1.035 116 K CA 0.451 56.744 56.287 0.011 0.000 0.982 116 K CB -0.197 32.321 32.500 0.030 0.000 0.795 116 K HN 0.142 nan 8.250 nan 0.000 0.491 117 S N 0.215 115.917 115.700 0.003 0.000 2.539 117 S HA 0.199 4.669 4.470 -0.000 0.000 0.221 117 S C 0.973 175.592 174.600 0.032 0.000 0.987 117 S CA 0.123 58.334 58.200 0.018 0.000 0.929 117 S CB 0.839 64.049 63.200 0.016 0.000 0.832 117 S HN 0.690 nan 8.310 nan 0.000 0.492 118 G N 2.158 110.963 108.800 0.007 0.000 2.143 118 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 118 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 118 G C -0.201 174.766 174.900 0.112 0.000 0.991 118 G CA -0.028 45.102 45.100 0.050 0.000 0.689 118 G HN 0.453 nan 8.290 nan 0.000 0.522 119 K N -0.107 120.312 120.400 0.033 0.000 2.138 119 K HA 0.598 4.918 4.320 -0.000 0.000 0.263 119 K C 0.595 177.199 176.600 0.007 0.000 0.965 119 K CA -0.914 55.403 56.287 0.050 0.000 0.868 119 K CB 1.639 34.153 32.500 0.023 0.000 1.083 119 K HN 0.210 nan 8.250 nan 0.000 0.443 120 I N 3.328 123.929 120.570 0.052 0.000 2.452 120 I HA -0.062 4.108 4.170 -0.000 0.000 0.287 120 I C 1.178 177.260 176.117 -0.059 0.000 1.079 120 I CA -0.074 61.229 61.300 0.005 0.000 1.387 120 I CB 0.605 38.646 38.000 0.069 0.000 1.404 120 I HN 0.485 nan 8.210 nan 0.000 0.522 121 V N 2.595 122.432 119.914 -0.129 0.000 3.477 121 V HA 0.630 4.750 4.120 -0.000 0.000 0.297 121 V C 0.506 176.347 176.094 -0.422 0.000 1.433 121 V CA 0.107 62.310 62.300 -0.162 0.000 1.052 121 V CB 0.019 31.787 31.823 -0.091 0.000 0.895 121 V HN 0.839 nan 8.190 nan 0.000 0.438 122 G N 0.008 108.463 108.800 -0.574 0.000 2.556 122 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 122 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 122 G C -1.897 172.647 174.900 -0.593 0.000 1.516 122 G CA -0.680 43.640 45.100 -1.300 0.000 0.824 122 G HN 0.298 nan 8.290 nan 0.000 0.535 123 K N -0.352 119.835 120.400 -0.356 0.000 2.477 123 K HA 0.742 5.062 4.320 -0.000 0.000 0.255 123 K C -2.102 174.605 176.600 0.179 0.000 0.952 123 K CA -1.048 55.227 56.287 -0.021 0.000 0.826 123 K CB 2.647 35.139 32.500 -0.015 0.000 1.331 123 K HN 0.653 nan 8.250 nan 0.000 0.437 124 Y N 1.613 121.903 120.300 -0.016 0.000 2.504 124 Y HA 0.483 5.033 4.550 0.000 0.000 0.344 124 Y C -1.711 174.109 175.900 -0.134 0.000 1.023 124 Y CA -0.768 57.311 58.100 -0.035 0.000 1.020 124 Y CB 1.808 40.286 38.460 0.029 0.000 1.282 124 Y HN 0.582 nan 8.280 nan 0.000 0.454 125 R N 4.281 124.066 120.500 -1.192 0.000 2.439 125 R HA 0.328 4.668 4.340 -0.000 0.000 0.310 125 R C -1.026 174.549 176.300 -1.208 0.000 0.955 125 R CA -1.183 54.334 56.100 -0.971 0.000 0.853 125 R CB 1.790 31.619 30.300 -0.786 0.000 1.171 125 R HN 0.637 nan 8.270 nan 0.000 0.449 126 K N 3.158 123.132 120.400 -0.710 0.000 2.441 126 K HA -0.101 4.219 4.320 -0.000 0.000 0.273 126 K C 0.522 177.011 176.600 -0.185 0.000 1.090 126 K CA 0.474 56.597 56.287 -0.274 0.000 1.158 126 K CB 0.378 32.827 32.500 -0.085 0.000 0.847 126 K HN 0.601 nan 8.250 nan 0.000 0.483 127 I N 2.982 123.503 120.570 -0.081 0.000 2.731 127 I HA -0.079 4.091 4.170 -0.000 0.000 0.260 127 I C 0.150 176.094 176.117 -0.289 0.000 1.138 127 I CA 0.160 61.319 61.300 -0.234 0.000 1.461 127 I CB 0.055 37.815 38.000 -0.400 0.000 1.128 127 I HN 0.594 nan 8.210 nan 0.000 0.438 128 H N 2.190 121.298 119.070 0.063 0.000 2.787 128 H HA 0.417 4.973 4.556 0.000 0.000 0.275 128 H C -0.621 174.764 175.328 0.096 0.000 1.183 128 H CA -0.229 55.795 56.048 -0.041 0.000 1.290 128 H CB 0.320 29.959 29.762 -0.205 0.000 1.438 128 H HN 0.052 nan 8.280 nan 0.000 0.487 129 L N 6.313 127.627 121.223 0.152 0.000 2.260 129 L HA 0.345 4.685 4.340 -0.000 0.000 0.289 129 L C -1.970 175.032 176.870 0.221 0.000 1.057 129 L CA -1.866 53.094 54.840 0.201 0.000 0.811 129 L CB 0.907 43.066 42.059 0.168 0.000 1.184 129 L HN 0.462 nan 8.230 nan 0.000 0.429 130 P HA 0.555 nan 4.420 nan 0.000 0.301 130 P C 0.124 177.544 177.300 0.200 0.000 1.309 130 P CA 0.041 63.269 63.100 0.213 0.000 0.782 130 P CB 1.807 33.601 31.700 0.157 0.000 1.282 131 G N -0.381 108.485 108.800 0.109 0.000 2.508 131 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 131 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 131 G C -0.832 174.183 174.900 0.192 0.000 1.287 131 G CA 0.130 45.330 45.100 0.167 0.000 0.916 131 G HN 1.098 nan 8.290 nan 0.000 0.574 132 H N -1.545 117.594 119.070 0.116 0.000 2.812 132 H HA 0.892 5.448 4.556 -0.000 0.000 0.355 132 H C 0.839 176.203 175.328 0.059 0.000 1.207 132 H CA -0.637 55.457 56.048 0.077 0.000 1.217 132 H CB 1.770 31.569 29.762 0.062 0.000 1.874 132 H HN 0.435 nan 8.280 nan 0.000 0.581 133 K N -0.374 120.092 120.400 0.110 0.000 2.335 133 K HA 0.202 4.522 4.320 -0.000 0.000 0.195 133 K C -0.354 176.298 176.600 0.087 0.000 1.058 133 K CA 0.517 56.822 56.287 0.030 0.000 0.988 133 K CB 0.533 33.063 32.500 0.050 0.000 0.880 133 K HN 0.767 nan 8.250 nan 0.000 0.513 134 E N -0.528 119.810 120.200 0.231 0.000 2.281 134 E HA 0.110 4.460 4.350 -0.000 0.000 0.262 134 E C -1.219 175.621 176.600 0.400 0.000 0.933 134 E CA -1.007 55.554 56.400 0.268 0.000 0.809 134 E CB 1.305 31.123 29.700 0.197 0.000 1.242 134 E HN -0.081 nan 8.360 nan 0.000 0.418 135 Y N 1.682 122.125 120.300 0.238 0.000 2.620 135 Y HA -0.034 4.516 4.550 0.000 0.000 0.330 135 Y C -0.401 175.545 175.900 0.076 0.000 1.186 135 Y CA 0.480 58.682 58.100 0.171 0.000 1.467 135 Y CB 0.462 38.855 38.460 -0.112 0.000 1.262 135 Y HN 0.337 nan 8.280 nan 0.000 0.550 136 E N 5.616 125.408 120.200 -0.680 0.000 2.207 136 E HA 0.387 4.737 4.350 -0.000 0.000 0.250 136 E C 0.292 176.353 176.600 -0.898 0.000 0.890 136 E CA -0.167 55.864 56.400 -0.614 0.000 0.749 136 E CB 1.469 30.871 29.700 -0.496 0.000 1.193 136 E HN 0.892 nan 8.360 nan 0.000 0.423 137 A N 3.150 125.517 122.820 -0.754 0.000 1.948 137 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 137 A C 1.911 179.384 177.584 -0.186 0.000 1.177 137 A CA 1.775 53.562 52.037 -0.417 0.000 0.636 137 A CB -0.821 18.163 19.000 -0.026 0.000 0.815 137 A HN 0.786 nan 8.150 nan 0.000 0.449 138 Y N -0.037 120.140 120.300 -0.205 0.000 2.421 138 Y HA 0.106 4.656 4.550 -0.000 0.000 0.292 138 Y C 0.912 176.734 175.900 -0.129 0.000 1.136 138 Y CA 0.131 58.154 58.100 -0.129 0.000 1.255 138 Y CB -0.396 37.995 38.460 -0.116 0.000 0.991 138 Y HN 0.144 nan 8.280 nan 0.000 0.552 139 R N 3.162 123.069 120.500 -0.987 0.000 2.442 139 R HA 0.067 4.407 4.340 -0.000 0.000 0.291 139 R C -1.575 174.508 176.300 -0.362 0.000 1.069 139 R CA -0.915 54.688 56.100 -0.828 0.000 1.022 139 R CB 0.040 29.820 30.300 -0.867 0.000 0.976 139 R HN 0.222 nan 8.270 nan 0.000 0.443 140 P HA -0.104 nan 4.420 nan 0.000 0.223 140 P C -0.355 177.034 177.300 0.147 0.000 1.151 140 P CA 1.183 64.275 63.100 -0.013 0.000 0.787 140 P CB 0.140 31.888 31.700 0.080 0.000 0.788 141 F N -2.692 117.288 119.950 0.049 0.000 2.641 141 F HA 0.559 5.086 4.527 -0.000 0.000 0.308 141 F C -0.453 175.395 175.800 0.080 0.000 1.105 141 F CA -1.423 56.620 58.000 0.072 0.000 0.964 141 F CB 0.486 39.519 39.000 0.055 0.000 1.294 141 F HN -0.378 nan 8.300 nan 0.000 0.442 142 Q N 0.789 120.774 119.800 0.308 0.000 2.171 142 Q HA 0.316 4.656 4.340 -0.000 0.000 0.217 142 Q C -1.207 175.045 176.000 0.420 0.000 0.995 142 Q CA -0.566 55.454 55.803 0.362 0.000 0.979 142 Q CB 1.392 30.365 28.738 0.391 0.000 1.152 142 Q HN 0.997 nan 8.270 nan 0.000 0.525 143 H N -0.240 118.995 119.070 0.276 0.000 2.661 143 H HA 0.312 4.868 4.556 -0.000 0.000 0.243 143 H C -0.880 174.309 175.328 -0.232 0.000 1.410 143 H CA 0.015 56.145 56.048 0.136 0.000 1.509 143 H CB -0.437 29.479 29.762 0.258 0.000 1.761 143 H HN 0.324 nan 8.280 nan 0.000 0.576 144 L N 3.018 124.067 121.223 -0.290 0.000 3.001 144 L HA 0.205 4.545 4.340 -0.000 0.000 0.234 144 L C 1.409 177.980 176.870 -0.498 0.000 1.321 144 L CA 0.117 54.660 54.840 -0.496 0.000 1.138 144 L CB 0.141 41.840 42.059 -0.601 0.000 1.503 144 L HN 0.616 nan 8.230 nan 0.000 0.487 145 E N 0.428 120.535 120.200 -0.156 0.000 2.153 145 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 145 E C 1.556 178.182 176.600 0.043 0.000 0.988 145 E CA 1.030 57.463 56.400 0.055 0.000 0.811 145 E CB 0.125 30.032 29.700 0.345 0.000 0.746 145 E HN 0.490 nan 8.360 nan 0.000 0.466 146 K N 0.447 120.836 120.400 -0.019 0.000 2.280 146 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 146 K C 2.168 178.713 176.600 -0.091 0.000 1.047 146 K CA 0.696 56.978 56.287 -0.009 0.000 0.942 146 K CB 0.005 32.505 32.500 -0.001 0.000 0.739 146 K HN -0.015 nan 8.250 nan 0.000 0.457 147 R N -0.095 120.244 120.500 -0.268 0.000 2.128 147 R HA -0.012 4.328 4.340 -0.000 0.000 0.211 147 R C 1.324 177.493 176.300 -0.218 0.000 1.067 147 R CA 0.757 56.677 56.100 -0.300 0.000 1.010 147 R CB 0.137 30.143 30.300 -0.490 0.000 0.922 147 R HN 0.261 nan 8.270 nan 0.000 0.457 148 Y N -0.940 119.215 120.300 -0.241 0.000 2.511 148 Y HA 0.200 4.750 4.550 -0.000 0.000 0.279 148 Y C -0.078 175.456 175.900 -0.609 0.000 1.157 148 Y CA -0.524 57.306 58.100 -0.450 0.000 1.300 148 Y CB 0.457 38.548 38.460 -0.614 0.000 1.052 148 Y HN -0.100 nan 8.280 nan 0.000 0.529 149 F N -0.349 119.681 119.950 0.134 0.000 2.613 149 F HA 0.377 4.904 4.527 -0.000 0.000 0.314 149 F C -0.391 175.393 175.800 -0.027 0.000 1.075 149 F CA -1.433 56.604 58.000 0.062 0.000 0.945 149 F CB 1.674 40.727 39.000 0.089 0.000 1.310 149 F HN -0.281 nan 8.300 nan 0.000 0.467 150 E N 1.645 121.906 120.200 0.101 0.000 2.202 150 E HA 0.383 4.733 4.350 -0.000 0.000 0.272 150 E C -2.596 174.086 176.600 0.136 0.000 0.951 150 E CA -2.137 54.271 56.400 0.013 0.000 0.813 150 E CB 1.428 31.017 29.700 -0.184 0.000 1.151 150 E HN 0.146 nan 8.360 nan 0.000 0.398 151 P HA -0.003 nan 4.420 nan 0.000 0.268 151 P C -0.130 177.229 177.300 0.098 0.000 1.205 151 P CA 0.066 63.196 63.100 0.051 0.000 0.771 151 P CB 0.488 32.175 31.700 -0.021 0.000 0.858 152 G N 2.337 111.108 108.800 -0.048 0.000 2.474 152 G HA2 0.038 3.998 3.960 -0.000 0.000 0.233 152 G HA3 0.038 3.998 3.960 -0.000 0.000 0.233 152 G C 0.366 175.143 174.900 -0.205 0.000 1.278 152 G CA -0.256 44.712 45.100 -0.219 0.000 0.861 152 G HN 0.609 nan 8.290 nan 0.000 0.567 153 D N 0.732 120.970 120.400 -0.270 0.000 2.479 153 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 153 D C 1.415 177.599 176.300 -0.193 0.000 1.177 153 D CA -0.112 53.785 54.000 -0.171 0.000 0.830 153 D CB 0.024 40.781 40.800 -0.073 0.000 1.014 153 D HN 0.369 nan 8.370 nan 0.000 0.503 154 L N -0.126 120.947 121.223 -0.250 0.000 2.693 154 L HA 0.394 4.734 4.340 -0.000 0.000 0.235 154 L C 1.359 178.153 176.870 -0.127 0.000 1.127 154 L CA 0.113 54.858 54.840 -0.157 0.000 0.914 154 L CB 0.044 42.026 42.059 -0.128 0.000 1.193 154 L HN 0.235 nan 8.230 nan 0.000 0.502 155 G N 0.981 109.645 108.800 -0.225 0.000 2.601 155 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.252 155 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.252 155 G C -0.433 174.265 174.900 -0.337 0.000 1.294 155 G CA -0.287 44.638 45.100 -0.291 0.000 0.912 155 G HN 0.104 nan 8.290 nan 0.000 0.574 156 F N 2.763 122.762 119.950 0.081 0.000 2.371 156 F HA 0.436 4.963 4.527 0.000 0.000 0.343 156 F C -1.346 174.416 175.800 -0.063 0.000 1.150 156 F CA -1.256 56.752 58.000 0.013 0.000 1.220 156 F CB 1.541 40.520 39.000 -0.033 0.000 1.475 156 F HN 0.301 nan 8.300 nan 0.000 0.521 157 P HA 0.228 nan 4.420 nan 0.000 0.274 157 P C -0.656 176.473 177.300 -0.286 0.000 1.246 157 P CA -0.188 62.788 63.100 -0.207 0.000 0.795 157 P CB 2.476 33.946 31.700 -0.383 0.000 1.006 158 V N 2.204 121.880 119.914 -0.396 0.000 2.531 158 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 158 V C -0.631 175.246 176.094 -0.362 0.000 1.034 158 V CA -0.408 61.741 62.300 -0.251 0.000 0.865 158 V CB 1.062 32.822 31.823 -0.105 0.000 0.995 158 V HN 0.438 nan 8.190 nan 0.000 0.424 159 Y N 1.163 121.453 120.300 -0.016 0.000 2.549 159 Y HA 0.545 5.095 4.550 -0.000 0.000 0.339 159 Y C 0.129 176.007 175.900 -0.036 0.000 1.053 159 Y CA -1.158 56.931 58.100 -0.019 0.000 1.105 159 Y CB 1.275 39.727 38.460 -0.014 0.000 1.258 159 Y HN 0.502 nan 8.280 nan 0.000 0.478 160 D N 1.601 122.091 120.400 0.150 0.000 2.295 160 D HA 0.363 5.003 4.640 -0.000 0.000 0.248 160 D C -1.025 175.298 176.300 0.038 0.000 1.154 160 D CA 0.118 54.153 54.000 0.059 0.000 0.857 160 D CB 1.413 42.239 40.800 0.044 0.000 1.117 160 D HN 0.168 nan 8.370 nan 0.000 0.468 161 V N 3.530 123.433 119.914 -0.018 0.000 2.398 161 V HA 0.109 4.229 4.120 -0.000 0.000 0.282 161 V C -0.414 175.644 176.094 -0.060 0.000 1.014 161 V CA -0.898 61.371 62.300 -0.050 0.000 0.838 161 V CB 1.256 32.999 31.823 -0.132 0.000 1.018 161 V HN 0.549 nan 8.190 nan 0.000 0.432 162 D N 4.742 125.127 120.400 -0.024 0.000 2.735 162 D HA -0.262 4.378 4.640 -0.000 0.000 0.235 162 D C 1.126 177.407 176.300 -0.032 0.000 1.175 162 D CA 1.221 55.209 54.000 -0.019 0.000 0.683 162 D CB -0.618 40.178 40.800 -0.006 0.000 1.008 162 D HN 1.499 nan 8.370 nan 0.000 0.416 163 A N -2.192 120.613 122.820 -0.025 0.000 2.952 163 A HA -0.047 4.273 4.320 -0.000 0.000 0.252 163 A C 0.706 178.266 177.584 -0.040 0.000 1.323 163 A CA 1.757 53.779 52.037 -0.026 0.000 0.957 163 A CB -1.554 17.433 19.000 -0.022 0.000 1.130 163 A HN 1.606 nan 8.150 nan 0.000 0.799 164 A N -0.378 122.406 122.820 -0.060 0.000 2.371 164 A HA 0.680 5.000 4.320 -0.000 0.000 0.311 164 A C -0.158 177.388 177.584 -0.063 0.000 1.068 164 A CA -0.466 51.524 52.037 -0.079 0.000 0.744 164 A CB 0.864 19.776 19.000 -0.146 0.000 1.239 164 A HN 0.426 nan 8.150 nan 0.000 0.435 165 K N 2.326 122.704 120.400 -0.037 0.000 2.267 165 K HA 0.488 4.808 4.320 -0.000 0.000 0.282 165 K C -0.871 175.712 176.600 -0.028 0.000 1.078 165 K CA 0.374 56.650 56.287 -0.018 0.000 0.903 165 K CB 0.884 33.382 32.500 -0.003 0.000 1.111 165 K HN 0.717 nan 8.250 nan 0.000 0.475 166 M N 1.584 121.166 119.600 -0.030 0.000 2.383 166 M HA 0.383 4.863 4.480 -0.000 0.000 0.325 166 M C 0.179 176.487 176.300 0.013 0.000 1.092 166 M CA -0.778 54.493 55.300 -0.048 0.000 0.961 166 M CB 2.273 34.781 32.600 -0.154 0.000 1.672 166 M HN 0.666 nan 8.290 nan 0.000 0.438 167 G N 2.845 111.637 108.800 -0.014 0.000 2.453 167 G HA2 0.840 4.800 3.960 -0.000 0.000 0.323 167 G HA3 0.840 4.800 3.960 -0.000 0.000 0.323 167 G C -1.177 173.678 174.900 -0.074 0.000 1.198 167 G CA -0.720 44.363 45.100 -0.027 0.000 0.959 167 G HN 0.622 nan 8.290 nan 0.000 0.482 168 M N 0.902 120.425 119.600 -0.128 0.000 2.436 168 M HA 0.583 5.063 4.480 -0.000 0.000 0.331 168 M C -0.990 175.031 176.300 -0.465 0.000 1.135 168 M CA -0.693 54.459 55.300 -0.247 0.000 0.987 168 M CB 2.244 34.789 32.600 -0.091 0.000 1.687 168 M HN 0.594 nan 8.290 nan 0.000 0.445 169 F N 0.909 120.679 119.950 -0.301 0.000 2.603 169 F HA 0.890 5.417 4.527 -0.000 0.000 0.317 169 F C -1.643 174.207 175.800 0.082 0.000 1.066 169 F CA -1.316 56.543 58.000 -0.234 0.000 0.941 169 F CB 1.085 39.913 39.000 -0.287 0.000 1.291 169 F HN 0.426 nan 8.300 nan 0.000 0.472 170 I N 2.952 123.837 120.570 0.526 0.000 2.439 170 I HA 0.556 4.726 4.170 -0.000 0.000 0.285 170 I C 0.638 177.072 176.117 0.528 0.000 1.021 170 I CA -0.557 60.990 61.300 0.412 0.000 1.091 170 I CB 1.369 39.565 38.000 0.326 0.000 1.242 170 I HN 1.190 nan 8.210 nan 0.000 0.439 171 A N 6.097 129.249 122.820 0.553 0.000 5.213 171 A HA -0.382 3.938 4.320 -0.000 0.000 0.347 171 A C 1.956 179.778 177.584 0.398 0.000 1.682 171 A CA 2.265 54.592 52.037 0.484 0.000 0.701 171 A CB -1.441 17.772 19.000 0.356 0.000 1.474 171 A HN 0.892 nan 8.150 nan 0.000 0.405 172 N N -0.049 118.858 118.700 0.346 0.000 2.184 172 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 172 N C 1.209 176.971 175.510 0.419 0.000 1.011 172 N CA 2.209 55.459 53.050 0.335 0.000 0.867 172 N CB -0.549 38.164 38.487 0.377 0.000 0.993 172 N HN 0.631 nan 8.380 nan 0.000 0.433 173 D N 0.730 121.418 120.400 0.479 0.000 2.158 173 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 173 D C 1.958 178.403 176.300 0.242 0.000 0.995 173 D CA 0.915 55.210 54.000 0.492 0.000 0.846 173 D CB -0.324 40.813 40.800 0.561 0.000 0.941 173 D HN 0.651 nan 8.370 nan 0.000 0.456 174 R N 0.939 121.456 120.500 0.028 0.000 2.241 174 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 174 R C 1.540 177.903 176.300 0.105 0.000 1.101 174 R CA 0.837 56.849 56.100 -0.148 0.000 0.995 174 R CB -0.270 29.722 30.300 -0.512 0.000 0.870 174 R HN 0.151 nan 8.270 nan 0.000 0.463 175 R N -0.390 120.092 120.500 -0.030 0.000 2.297 175 R HA 0.080 4.420 4.340 -0.000 0.000 0.197 175 R C -0.447 175.555 176.300 -0.498 0.000 0.943 175 R CA 0.235 56.154 56.100 -0.300 0.000 1.038 175 R CB 0.183 30.222 30.300 -0.435 0.000 0.957 175 R HN 0.158 nan 8.270 nan 0.000 0.484 176 W N 2.478 123.693 121.300 -0.141 0.000 2.291 176 W HA 0.287 4.947 4.660 0.000 0.000 0.312 176 W C -1.554 174.919 176.519 -0.078 0.000 1.061 176 W CA -2.469 54.749 57.345 -0.212 0.000 1.296 176 W CB 1.048 30.178 29.460 -0.550 0.000 1.223 176 W HN -0.145 nan 8.180 nan 0.000 0.421 177 P HA -0.229 nan 4.420 nan 0.000 0.219 177 P C 0.722 178.037 177.300 0.024 0.000 1.146 177 P CA 1.720 64.812 63.100 -0.012 0.000 0.808 177 P CB 0.556 32.179 31.700 -0.128 0.000 0.779 178 E N 0.517 120.741 120.200 0.040 0.000 2.077 178 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 178 E C 2.364 178.820 176.600 -0.240 0.000 0.989 178 E CA 1.579 57.957 56.400 -0.036 0.000 0.800 178 E CB -1.030 28.706 29.700 0.060 0.000 0.746 178 E HN 0.216 nan 8.360 nan 0.000 0.452 179 A N 0.227 122.842 122.820 -0.341 0.000 1.858 179 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 179 A C 1.887 179.163 177.584 -0.514 0.000 1.190 179 A CA 1.486 52.966 52.037 -0.929 0.000 0.617 179 A CB -1.144 17.552 19.000 -0.506 0.000 0.827 179 A HN 0.376 nan 8.150 nan 0.000 0.443 180 W N -0.599 120.524 121.300 -0.294 0.000 2.335 180 W HA -0.133 4.527 4.660 0.000 0.000 0.311 180 W C 2.511 178.936 176.519 -0.157 0.000 1.213 180 W CA 1.759 58.992 57.345 -0.187 0.000 1.274 180 W CB -0.320 29.038 29.460 -0.171 0.000 1.148 180 W HN 0.282 nan 8.180 nan 0.000 0.498 181 R N 0.627 121.162 120.500 0.058 0.000 2.081 181 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 181 R C 1.875 178.162 176.300 -0.022 0.000 1.131 181 R CA 1.864 57.952 56.100 -0.020 0.000 0.960 181 R CB -1.173 29.053 30.300 -0.123 0.000 0.856 181 R HN 0.100 nan 8.270 nan 0.000 0.436 182 V N 0.664 120.532 119.914 -0.077 0.000 2.332 182 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 182 V C 2.325 178.434 176.094 0.025 0.000 1.055 182 V CA 2.266 64.556 62.300 -0.016 0.000 1.038 182 V CB -0.434 31.397 31.823 0.013 0.000 0.651 182 V HN 0.360 nan 8.190 nan 0.000 0.450 183 M N 0.007 119.601 119.600 -0.009 0.000 2.229 183 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 183 M C 2.254 178.595 176.300 0.069 0.000 1.063 183 M CA 1.768 57.078 55.300 0.016 0.000 1.114 183 M CB -0.768 31.808 32.600 -0.040 0.000 1.387 183 M HN 0.486 nan 8.290 nan 0.000 0.420 184 G N 0.609 109.483 108.800 0.124 0.000 2.402 184 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 184 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 184 G C 1.482 176.555 174.900 0.287 0.000 1.162 184 G CA 0.433 45.662 45.100 0.216 0.000 0.777 184 G HN 0.342 nan 8.290 nan 0.000 0.539 185 L N -0.332 121.048 121.223 0.261 0.000 2.275 185 L HA 0.066 4.406 4.340 -0.000 0.000 0.215 185 L C 2.727 179.681 176.870 0.141 0.000 1.119 185 L CA 0.529 55.516 54.840 0.244 0.000 0.790 185 L CB -0.079 42.048 42.059 0.113 0.000 0.919 185 L HN 0.136 nan 8.230 nan 0.000 0.443 186 R N -0.122 120.432 120.500 0.091 0.000 2.334 186 R HA 0.137 4.477 4.340 -0.000 0.000 0.220 186 R C 1.121 177.439 176.300 0.030 0.000 0.917 186 R CA 0.556 56.682 56.100 0.043 0.000 1.073 186 R CB 0.264 30.571 30.300 0.012 0.000 1.056 186 R HN 0.376 nan 8.270 nan 0.000 0.506 187 G N 0.920 109.748 108.800 0.047 0.000 2.137 187 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.237 187 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.237 187 G C 0.242 175.154 174.900 0.020 0.000 1.002 187 G CA 0.035 45.147 45.100 0.020 0.000 0.702 187 G HN 0.495 nan 8.290 nan 0.000 0.515 188 A N -0.400 122.440 122.820 0.033 0.000 2.540 188 A HA 0.536 4.856 4.320 -0.000 0.000 0.239 188 A C 1.089 178.711 177.584 0.064 0.000 1.061 188 A CA 1.321 53.380 52.037 0.036 0.000 0.758 188 A CB 0.200 19.222 19.000 0.037 0.000 0.991 188 A HN 0.590 nan 8.150 nan 0.000 0.502 189 E N 1.280 121.522 120.200 0.070 0.000 2.340 189 E HA 0.230 4.580 4.350 -0.000 0.000 0.198 189 E C -0.411 176.315 176.600 0.210 0.000 0.961 189 E CA 0.488 56.968 56.400 0.134 0.000 0.905 189 E CB 0.360 30.121 29.700 0.102 0.000 0.884 189 E HN 0.728 nan 8.360 nan 0.000 0.491 190 I N 1.642 122.283 120.570 0.119 0.000 2.534 190 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 190 I C -0.938 175.224 176.117 0.075 0.000 1.077 190 I CA -0.624 60.753 61.300 0.129 0.000 1.051 190 I CB 2.317 40.313 38.000 -0.006 0.000 1.234 190 I HN -0.118 nan 8.210 nan 0.000 0.425 191 I N 6.191 126.836 120.570 0.126 0.000 2.410 191 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 191 I C -0.402 175.788 176.117 0.122 0.000 1.009 191 I CA -0.482 60.839 61.300 0.035 0.000 1.111 191 I CB 1.467 39.402 38.000 -0.109 0.000 1.262 191 I HN 0.684 nan 8.210 nan 0.000 0.443 192 C N 3.261 122.559 119.300 -0.003 0.000 3.080 192 C HA 1.075 5.535 4.460 -0.000 0.000 0.307 192 C C 0.081 174.639 174.990 -0.720 0.000 1.311 192 C CA -0.454 58.506 59.018 -0.096 0.000 1.533 192 C CB 1.091 28.841 27.740 0.017 0.000 1.970 192 C HN 1.000 nan 8.230 nan 0.000 0.467 193 G N -0.397 107.881 108.800 -0.871 0.000 2.340 193 G HA2 0.738 4.698 3.960 -0.000 0.000 0.299 193 G HA3 0.738 4.698 3.960 -0.000 0.000 0.299 193 G C -0.800 173.908 174.900 -0.320 0.000 1.291 193 G CA 0.156 44.669 45.100 -0.978 0.000 0.841 193 G HN 1.807 nan 8.290 nan 0.000 0.500 194 G N -1.789 106.963 108.800 -0.080 0.000 2.816 194 G HA2 0.966 4.926 3.960 -0.000 0.000 0.288 194 G HA3 0.966 4.926 3.960 -0.000 0.000 0.288 194 G C -1.359 173.726 174.900 0.308 0.000 1.334 194 G CA -0.315 44.858 45.100 0.122 0.000 0.978 194 G HN 1.808 nan 8.290 nan 0.000 0.493 195 Y N -2.199 118.170 120.300 0.115 0.000 2.604 195 Y HA 0.622 5.172 4.550 -0.000 0.000 0.331 195 Y C -1.285 174.578 175.900 -0.061 0.000 1.158 195 Y CA -1.571 56.571 58.100 0.069 0.000 1.056 195 Y CB 1.286 39.811 38.460 0.108 0.000 1.330 195 Y HN 0.355 nan 8.280 nan 0.000 0.457 196 N N 2.050 120.725 118.700 -0.040 0.000 2.623 196 N HA 0.298 5.038 4.740 -0.000 0.000 0.256 196 N C -1.500 173.864 175.510 -0.243 0.000 1.045 196 N CA -0.440 52.402 53.050 -0.346 0.000 0.863 196 N CB 2.001 39.909 38.487 -0.966 0.000 1.182 196 N HN 0.719 nan 8.380 nan 0.000 0.523 197 T N 2.369 116.913 114.554 -0.017 0.000 2.893 197 T HA 0.344 4.694 4.350 -0.000 0.000 0.324 197 T C -2.545 172.147 174.700 -0.014 0.000 1.082 197 T CA -1.292 60.815 62.100 0.011 0.000 0.983 197 T CB 1.803 70.698 68.868 0.045 0.000 1.005 197 T HN 0.107 nan 8.240 nan 0.000 0.475 198 P HA 0.098 nan 4.420 nan 0.000 0.268 198 P C 1.137 178.490 177.300 0.088 0.000 1.205 198 P CA -0.174 62.925 63.100 -0.002 0.000 0.771 198 P CB 0.437 32.170 31.700 0.056 0.000 0.858 199 T N -1.717 112.896 114.554 0.097 0.000 3.148 199 T HA -0.034 4.316 4.350 -0.000 0.000 0.253 199 T C 0.496 175.333 174.700 0.230 0.000 1.134 199 T CA 0.594 62.771 62.100 0.128 0.000 1.051 199 T CB -0.634 68.286 68.868 0.088 0.000 0.959 199 T HN 0.464 nan 8.240 nan 0.000 0.525 200 H N 0.611 119.800 119.070 0.199 0.000 2.589 200 H HA 0.530 5.086 4.556 -0.000 0.000 0.351 200 H C -1.531 173.966 175.328 0.282 0.000 1.074 200 H CA -0.811 55.383 56.048 0.243 0.000 1.203 200 H CB 1.597 31.540 29.762 0.302 0.000 1.558 200 H HN 0.126 nan 8.280 nan 0.000 0.522 201 N N 5.946 124.410 118.700 -0.393 0.000 2.569 201 N HA 0.255 4.995 4.740 -0.000 0.000 0.254 201 N C -2.183 172.986 175.510 -0.569 0.000 1.004 201 N CA -2.059 50.786 53.050 -0.342 0.000 0.904 201 N CB 2.024 40.451 38.487 -0.100 0.000 1.165 201 N HN 0.320 nan 8.380 nan 0.000 0.513 202 P HA -0.181 nan 4.420 nan 0.000 0.217 202 P C -1.440 175.862 177.300 0.004 0.000 1.162 202 P CA 1.644 64.552 63.100 -0.321 0.000 0.901 202 P CB -0.405 31.039 31.700 -0.426 0.000 0.793 203 P HA -0.009 nan 4.420 nan 0.000 0.225 203 P C 0.161 177.425 177.300 -0.061 0.000 1.156 203 P CA 1.408 64.520 63.100 0.021 0.000 0.787 203 P CB 0.210 31.921 31.700 0.019 0.000 0.802 204 V N 2.271 122.121 119.914 -0.105 0.000 2.502 204 V HA 0.153 4.273 4.120 -0.000 0.000 0.261 204 V C -1.558 174.461 176.094 -0.125 0.000 0.996 204 V CA -0.992 61.200 62.300 -0.179 0.000 1.095 204 V CB 1.170 32.803 31.823 -0.317 0.000 1.325 204 V HN 0.001 nan 8.190 nan 0.000 0.574 205 P HA -0.191 nan 4.420 nan 0.000 0.225 205 P C 1.340 178.724 177.300 0.140 0.000 1.148 205 P CA 1.020 64.175 63.100 0.092 0.000 0.779 205 P CB 0.357 32.166 31.700 0.182 0.000 0.780 206 Q N -0.406 119.444 119.800 0.082 0.000 2.515 206 Q HA -0.143 4.197 4.340 -0.000 0.000 0.212 206 Q C 0.886 177.112 176.000 0.376 0.000 0.970 206 Q CA 1.192 57.112 55.803 0.196 0.000 0.941 206 Q CB -1.199 27.620 28.738 0.135 0.000 0.998 206 Q HN 0.550 nan 8.270 nan 0.000 0.518 207 H N -0.238 118.894 119.070 0.103 0.000 2.652 207 H HA 0.107 4.663 4.556 0.000 0.000 0.274 207 H C 0.544 175.847 175.328 -0.041 0.000 1.021 207 H CA -0.379 55.668 56.048 -0.002 0.000 1.187 207 H CB 0.766 30.578 29.762 0.083 0.000 1.505 207 H HN 0.186 nan 8.280 nan 0.000 0.530 208 D N 0.913 121.441 120.400 0.213 0.000 2.133 208 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 208 D C 2.082 178.464 176.300 0.137 0.000 0.997 208 D CA 1.330 55.447 54.000 0.196 0.000 0.840 208 D CB -0.334 40.628 40.800 0.270 0.000 0.947 208 D HN 0.690 nan 8.370 nan 0.000 0.452 209 H N -0.219 118.900 119.070 0.082 0.000 2.563 209 H HA 0.049 4.605 4.556 -0.000 0.000 0.272 209 H C 1.526 176.857 175.328 0.004 0.000 1.005 209 H CA 0.383 56.453 56.048 0.038 0.000 1.171 209 H CB -0.500 29.273 29.762 0.018 0.000 1.351 209 H HN 0.214 nan 8.280 nan 0.000 0.602 210 L N 0.642 121.621 121.223 -0.407 0.000 2.728 210 L HA 0.117 4.457 4.340 -0.000 0.000 0.238 210 L C 1.716 178.472 176.870 -0.190 0.000 1.143 210 L CA -0.007 54.600 54.840 -0.388 0.000 0.937 210 L CB 0.221 41.852 42.059 -0.713 0.000 1.225 210 L HN 0.077 nan 8.230 nan 0.000 0.507 211 T N -0.547 113.987 114.554 -0.034 0.000 2.665 211 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 211 T C 2.115 176.871 174.700 0.094 0.000 1.035 211 T CA 2.195 64.328 62.100 0.054 0.000 1.151 211 T CB -0.077 68.833 68.868 0.070 0.000 0.862 211 T HN 0.355 nan 8.240 nan 0.000 0.438 212 S N 0.469 116.244 115.700 0.125 0.000 2.355 212 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 212 S C 1.801 176.521 174.600 0.199 0.000 1.031 212 S CA 1.073 59.420 58.200 0.245 0.000 0.993 212 S CB -0.636 62.769 63.200 0.343 0.000 0.859 212 S HN 0.425 nan 8.310 nan 0.000 0.453 213 F N 2.106 122.037 119.950 -0.030 0.000 2.065 213 F HA -0.158 4.369 4.527 0.000 0.000 0.298 213 F C 2.083 177.845 175.800 -0.064 0.000 1.112 213 F CA 2.444 60.381 58.000 -0.105 0.000 1.212 213 F CB -1.061 37.797 39.000 -0.238 0.000 0.975 213 F HN 0.429 nan 8.300 nan 0.000 0.476 214 H N -2.727 116.199 119.070 -0.240 0.000 2.389 214 H HA -0.163 4.393 4.556 0.000 0.000 0.299 214 H C 2.110 177.269 175.328 -0.282 0.000 1.081 214 H CA 1.147 56.973 56.048 -0.370 0.000 1.345 214 H CB -0.237 29.419 29.762 -0.176 0.000 1.393 214 H HN 0.461 nan 8.280 nan 0.000 0.520 215 H N 0.900 119.901 119.070 -0.114 0.000 2.299 215 H HA -0.072 4.484 4.556 -0.000 0.000 0.302 215 H C 2.093 177.309 175.328 -0.187 0.000 1.078 215 H CA 1.497 57.439 56.048 -0.176 0.000 1.323 215 H CB -0.405 29.247 29.762 -0.183 0.000 1.381 215 H HN 0.202 nan 8.280 nan 0.000 0.498 216 L N -0.356 120.601 121.223 -0.444 0.000 2.093 216 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 216 L C 2.512 179.145 176.870 -0.394 0.000 1.085 216 L CA 0.923 55.485 54.840 -0.463 0.000 0.755 216 L CB -0.445 41.467 42.059 -0.245 0.000 0.904 216 L HN 0.312 nan 8.230 nan 0.000 0.435 217 L N -0.519 120.438 121.223 -0.443 0.000 2.046 217 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 217 L C 2.558 179.182 176.870 -0.411 0.000 1.077 217 L CA 1.808 56.366 54.840 -0.471 0.000 0.747 217 L CB -0.478 41.151 42.059 -0.718 0.000 0.896 217 L HN 0.072 nan 8.230 nan 0.000 0.432 218 S N -0.778 114.685 115.700 -0.395 0.000 2.368 218 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 218 S C 1.893 176.235 174.600 -0.429 0.000 1.030 218 S CA 1.627 59.599 58.200 -0.381 0.000 0.999 218 S CB -0.260 62.775 63.200 -0.276 0.000 0.844 218 S HN 0.387 nan 8.310 nan 0.000 0.459 219 M N 1.451 120.844 119.600 -0.345 0.000 2.132 219 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 219 M C 2.205 178.305 176.300 -0.334 0.000 1.065 219 M CA 1.380 56.539 55.300 -0.235 0.000 1.122 219 M CB -1.496 31.007 32.600 -0.162 0.000 1.365 219 M HN 0.352 nan 8.290 nan 0.000 0.411 220 Q N -0.126 119.492 119.800 -0.304 0.000 2.050 220 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 220 Q C 2.244 178.077 176.000 -0.280 0.000 0.980 220 Q CA 1.792 57.446 55.803 -0.247 0.000 0.840 220 Q CB -0.296 28.315 28.738 -0.213 0.000 0.898 220 Q HN 0.569 nan 8.270 nan 0.000 0.424 221 A N 0.896 123.502 122.820 -0.357 0.000 1.898 221 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 221 A C 2.301 179.557 177.584 -0.547 0.000 1.181 221 A CA 1.602 53.441 52.037 -0.330 0.000 0.620 221 A CB -1.243 17.551 19.000 -0.345 0.000 0.819 221 A HN 0.481 nan 8.150 nan 0.000 0.442 222 G N -0.824 107.334 108.800 -1.069 0.000 2.440 222 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 222 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 222 G C 1.871 176.153 174.900 -1.030 0.000 1.154 222 G CA 1.367 45.364 45.100 -1.838 0.000 0.767 222 G HN 0.470 nan 8.290 nan 0.000 0.552 223 S N -0.429 114.856 115.700 -0.691 0.000 2.348 223 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 223 S C 1.981 176.545 174.600 -0.059 0.000 1.033 223 S CA 1.309 59.429 58.200 -0.133 0.000 1.010 223 S CB -0.449 62.727 63.200 -0.041 0.000 0.891 223 S HN 0.506 nan 8.310 nan 0.000 0.442 224 Y N 2.455 122.642 120.300 -0.188 0.000 2.070 224 Y HA -0.198 4.353 4.550 0.000 0.000 0.280 224 Y C 2.222 178.150 175.900 0.048 0.000 1.148 224 Y CA 1.857 59.927 58.100 -0.050 0.000 1.125 224 Y CB -0.852 37.580 38.460 -0.047 0.000 0.975 224 Y HN 0.311 nan 8.280 nan 0.000 0.492 225 Q N -0.336 119.209 119.800 -0.424 0.000 2.437 225 Q HA -0.107 4.233 4.340 -0.000 0.000 0.210 225 Q C 0.901 176.532 176.000 -0.616 0.000 0.972 225 Q CA 1.027 56.291 55.803 -0.898 0.000 0.903 225 Q CB -0.075 28.247 28.738 -0.692 0.000 0.967 225 Q HN 0.588 nan 8.270 nan 0.000 0.486 226 N N -0.717 117.851 118.700 -0.221 0.000 2.171 226 N HA 0.069 4.809 4.740 -0.000 0.000 0.212 226 N C 0.296 175.800 175.510 -0.011 0.000 1.184 226 N CA 0.640 53.690 53.050 -0.001 0.000 0.888 226 N CB 1.549 40.119 38.487 0.139 0.000 1.038 226 N HN 0.247 nan 8.380 nan 0.000 0.517 227 G N 1.518 110.316 108.800 -0.002 0.000 2.356 227 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.296 227 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.296 227 G C -0.048 174.847 174.900 -0.009 0.000 1.022 227 G CA 0.650 45.750 45.100 -0.000 0.000 0.961 227 G HN 0.532 nan 8.290 nan 0.000 0.510 228 A N -0.867 121.976 122.820 0.038 0.000 2.374 228 A HA 0.768 5.088 4.320 -0.000 0.000 0.317 228 A C -0.135 177.523 177.584 0.125 0.000 1.094 228 A CA -0.886 51.223 52.037 0.120 0.000 0.765 228 A CB 1.087 20.221 19.000 0.223 0.000 1.268 228 A HN 0.559 nan 8.150 nan 0.000 0.438 229 W N 1.406 122.774 121.300 0.113 0.000 2.184 229 W HA 0.472 5.132 4.660 -0.000 0.000 0.338 229 W C 0.882 177.502 176.519 0.168 0.000 1.257 229 W CA 1.099 58.512 57.345 0.114 0.000 1.243 229 W CB 1.209 30.711 29.460 0.070 0.000 1.122 229 W HN 0.883 nan 8.180 nan 0.000 0.585 230 S N 1.023 116.989 115.700 0.444 0.000 2.618 230 S HA 0.940 5.410 4.470 -0.000 0.000 0.277 230 S C -1.086 173.736 174.600 0.370 0.000 1.138 230 S CA -0.993 57.456 58.200 0.416 0.000 0.844 230 S CB 1.994 65.536 63.200 0.570 0.000 1.127 230 S HN 1.019 nan 8.310 nan 0.000 0.474 231 A N 0.190 123.235 122.820 0.375 0.000 2.517 231 A HA 0.906 5.226 4.320 -0.000 0.000 0.297 231 A C -0.757 177.080 177.584 0.421 0.000 1.050 231 A CA -0.376 51.859 52.037 0.330 0.000 0.694 231 A CB 1.210 20.351 19.000 0.235 0.000 1.277 231 A HN 2.029 nan 8.150 nan 0.000 0.400 232 A N 1.140 124.239 122.820 0.465 0.000 2.335 232 A HA 0.816 5.136 4.320 -0.000 0.000 0.304 232 A C -0.131 177.768 177.584 0.525 0.000 1.118 232 A CA 0.150 52.578 52.037 0.652 0.000 0.757 232 A CB 1.003 20.514 19.000 0.852 0.000 1.188 232 A HN 2.347 nan 8.150 nan 0.000 0.460 233 A N 2.269 125.268 122.820 0.298 0.000 2.256 233 A HA 0.723 5.043 4.320 -0.000 0.000 0.317 233 A C 0.507 177.873 177.584 -0.364 0.000 1.318 233 A CA 0.143 52.215 52.037 0.058 0.000 0.894 233 A CB 0.339 19.378 19.000 0.064 0.000 1.165 233 A HN 1.561 nan 8.150 nan 0.000 0.525 234 G N 0.933 109.326 108.800 -0.677 0.000 2.437 234 G HA2 0.517 4.477 3.960 -0.000 0.000 0.319 234 G HA3 0.517 4.477 3.960 -0.000 0.000 0.319 234 G C -0.361 174.254 174.900 -0.475 0.000 1.158 234 G CA -0.677 43.668 45.100 -1.259 0.000 0.899 234 G HN 0.756 nan 8.290 nan 0.000 0.502 235 K N 0.369 120.537 120.400 -0.388 0.000 2.316 235 K HA 0.640 4.960 4.320 -0.000 0.000 0.267 235 K C 0.024 176.527 176.600 -0.161 0.000 1.025 235 K CA -0.422 55.754 56.287 -0.185 0.000 0.896 235 K CB 0.912 33.336 32.500 -0.126 0.000 1.124 235 K HN 0.593 nan 8.250 nan 0.000 0.451 236 A N 3.055 125.814 122.820 -0.102 0.000 2.312 236 A HA 0.953 5.273 4.320 -0.000 0.000 0.310 236 A C 0.136 177.693 177.584 -0.045 0.000 1.139 236 A CA -0.231 51.767 52.037 -0.065 0.000 0.886 236 A CB 0.828 19.807 19.000 -0.035 0.000 1.350 236 A HN 1.055 nan 8.150 nan 0.000 0.479 237 G N -1.700 107.078 108.800 -0.036 0.000 2.631 237 G HA2 0.289 4.249 3.960 -0.000 0.000 0.504 237 G HA3 0.289 4.249 3.960 -0.000 0.000 0.504 237 G C -0.315 174.566 174.900 -0.031 0.000 1.306 237 G CA -0.018 45.067 45.100 -0.025 0.000 0.897 237 G HN 1.825 nan 8.290 nan 0.000 0.520 238 M N 1.415 121.006 119.600 -0.016 0.000 2.383 238 M HA 0.492 4.972 4.480 -0.000 0.000 0.337 238 M C 0.238 176.535 176.300 -0.006 0.000 1.422 238 M CA -0.010 55.281 55.300 -0.014 0.000 1.333 238 M CB -0.109 32.493 32.600 0.003 0.000 1.488 238 M HN 0.501 nan 8.290 nan 0.000 0.454 239 E N 3.881 124.064 120.200 -0.028 0.000 2.113 239 E HA 0.165 4.515 4.350 -0.000 0.000 0.273 239 E C -0.518 176.087 176.600 0.008 0.000 0.924 239 E CA -0.148 56.250 56.400 -0.003 0.000 0.764 239 E CB 0.553 30.239 29.700 -0.023 0.000 1.104 239 E HN 0.573 nan 8.360 nan 0.000 0.406 240 E N 4.161 124.411 120.200 0.084 0.000 2.269 240 E HA -0.288 4.062 4.350 -0.000 0.000 0.223 240 E C -0.437 176.231 176.600 0.113 0.000 1.244 240 E CA 0.935 57.431 56.400 0.159 0.000 0.713 240 E CB -1.530 28.339 29.700 0.282 0.000 1.178 240 E HN 0.858 nan 8.360 nan 0.000 0.370 241 N N -3.386 115.357 118.700 0.072 0.000 2.909 241 N HA -0.220 4.520 4.740 -0.000 0.000 0.242 241 N C -0.007 175.509 175.510 0.009 0.000 0.975 241 N CA 1.328 54.416 53.050 0.063 0.000 0.921 241 N CB -1.896 36.661 38.487 0.117 0.000 1.112 241 N HN 0.539 nan 8.380 nan 0.000 0.581 242 C N 1.552 120.797 119.300 -0.093 0.000 2.319 242 C HA 0.672 5.132 4.460 -0.000 0.000 0.323 242 C C 0.580 175.457 174.990 -0.188 0.000 1.277 242 C CA -1.033 57.826 59.018 -0.265 0.000 1.517 242 C CB 0.184 27.551 27.740 -0.623 0.000 2.206 242 C HN 0.313 nan 8.230 nan 0.000 0.486 243 M N 6.998 126.527 119.600 -0.117 0.000 2.184 243 M HA 0.493 4.973 4.480 -0.000 0.000 0.351 243 M C -1.030 175.219 176.300 -0.085 0.000 1.395 243 M CA 0.119 55.380 55.300 -0.065 0.000 1.117 243 M CB 0.090 32.685 32.600 -0.008 0.000 1.708 243 M HN 0.626 nan 8.290 nan 0.000 0.468 244 L N 5.348 126.521 121.223 -0.083 0.000 2.325 244 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 244 L C -0.498 176.351 176.870 -0.035 0.000 1.023 244 L CA -1.323 53.467 54.840 -0.082 0.000 0.811 244 L CB 1.521 43.507 42.059 -0.121 0.000 1.249 244 L HN 0.639 nan 8.230 nan 0.000 0.431 245 L N 1.533 122.756 121.223 0.001 0.000 2.453 245 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 245 L C 0.664 177.578 176.870 0.073 0.000 1.182 245 L CA 0.715 55.572 54.840 0.029 0.000 0.858 245 L CB 1.034 43.114 42.059 0.035 0.000 1.120 245 L HN 0.674 nan 8.230 nan 0.000 0.474 246 G N 1.515 110.335 108.800 0.033 0.000 3.411 246 G HA2 0.131 4.091 3.960 -0.000 0.000 0.186 246 G HA3 0.131 4.091 3.960 -0.000 0.000 0.186 246 G C -0.088 174.965 174.900 0.255 0.000 1.766 246 G CA 0.030 45.182 45.100 0.086 0.000 0.971 246 G HN 0.914 nan 8.290 nan 0.000 0.590 247 H N -0.529 118.649 119.070 0.179 0.000 2.692 247 H HA -0.141 4.415 4.556 -0.000 0.000 0.316 247 H C 0.051 175.607 175.328 0.380 0.000 1.176 247 H CA -0.162 56.030 56.048 0.241 0.000 1.142 247 H CB -1.289 28.625 29.762 0.253 0.000 1.475 247 H HN 0.230 nan 8.280 nan 0.000 0.423 248 S N 0.293 116.252 115.700 0.433 0.000 2.572 248 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 248 S C 0.669 175.476 174.600 0.344 0.000 1.341 248 S CA 0.091 58.550 58.200 0.431 0.000 1.043 248 S CB 1.265 64.611 63.200 0.243 0.000 0.887 248 S HN 0.576 nan 8.310 nan 0.000 0.516 249 C N 1.299 120.805 119.300 0.342 0.000 3.288 249 C HA 0.787 5.247 4.460 -0.000 0.000 0.318 249 C C -1.051 174.073 174.990 0.224 0.000 1.356 249 C CA -1.100 58.056 59.018 0.230 0.000 1.359 249 C CB -0.115 27.724 27.740 0.166 0.000 1.688 249 C HN 0.762 nan 8.230 nan 0.000 0.467 250 I N 1.647 122.328 120.570 0.185 0.000 2.498 250 I HA 0.666 4.836 4.170 -0.000 0.000 0.290 250 I C -0.751 175.492 176.117 0.210 0.000 1.032 250 I CA -0.599 60.831 61.300 0.216 0.000 1.073 250 I CB 2.046 40.164 38.000 0.197 0.000 1.251 250 I HN 0.608 nan 8.210 nan 0.000 0.426 251 V N 4.565 124.627 119.914 0.248 0.000 2.735 251 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 251 V C 0.297 176.484 176.094 0.155 0.000 1.061 251 V CA -0.688 61.709 62.300 0.161 0.000 0.913 251 V CB 1.795 33.675 31.823 0.095 0.000 1.005 251 V HN 0.845 nan 8.190 nan 0.000 0.428 252 A N 5.759 128.533 122.820 -0.077 0.000 2.287 252 A HA 0.628 4.948 4.320 -0.000 0.000 0.273 252 A C -1.290 175.977 177.584 -0.529 0.000 1.091 252 A CA -1.348 50.321 52.037 -0.613 0.000 0.817 252 A CB 0.116 18.783 19.000 -0.554 0.000 1.069 252 A HN 0.685 nan 8.150 nan 0.000 0.492 253 P HA -0.097 nan 4.420 nan 0.000 0.231 253 P C 0.959 178.178 177.300 -0.134 0.000 1.158 253 P CA 1.709 64.576 63.100 -0.387 0.000 0.763 253 P CB -0.259 31.173 31.700 -0.446 0.000 0.805 254 T N -5.549 108.908 114.554 -0.161 0.000 3.081 254 T HA 0.357 4.707 4.350 -0.000 0.000 0.250 254 T C 1.573 176.242 174.700 -0.052 0.000 1.100 254 T CA 0.567 62.650 62.100 -0.028 0.000 1.038 254 T CB -0.517 68.284 68.868 -0.112 0.000 0.962 254 T HN 0.209 nan 8.240 nan 0.000 0.516 255 G N 1.297 110.052 108.800 -0.075 0.000 2.175 255 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 255 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 255 G C -0.239 174.587 174.900 -0.123 0.000 0.982 255 G CA -0.160 44.882 45.100 -0.097 0.000 0.641 255 G HN 0.626 nan 8.290 nan 0.000 0.527 256 E N 0.241 120.368 120.200 -0.122 0.000 2.316 256 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 256 E C 0.579 177.149 176.600 -0.051 0.000 1.029 256 E CA -0.353 55.991 56.400 -0.093 0.000 0.871 256 E CB 0.981 30.628 29.700 -0.088 0.000 1.022 256 E HN 0.409 nan 8.360 nan 0.000 0.418 257 I N 4.108 124.655 120.570 -0.039 0.000 2.436 257 I HA -0.061 4.109 4.170 -0.000 0.000 0.289 257 I C 1.311 177.445 176.117 0.028 0.000 1.083 257 I CA -0.091 61.207 61.300 -0.004 0.000 1.372 257 I CB 0.646 38.628 38.000 -0.031 0.000 1.408 257 I HN 0.481 nan 8.210 nan 0.000 0.516 258 V N 3.293 123.255 119.914 0.079 0.000 3.590 258 V HA 0.516 4.636 4.120 -0.000 0.000 0.265 258 V C 0.683 176.833 176.094 0.094 0.000 1.239 258 V CA 0.380 62.741 62.300 0.102 0.000 1.117 258 V CB -0.095 31.838 31.823 0.182 0.000 0.818 258 V HN 0.707 nan 8.190 nan 0.000 0.451 259 A N 0.412 123.288 122.820 0.093 0.000 2.566 259 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 259 A C -1.679 175.956 177.584 0.086 0.000 1.059 259 A CA -0.443 51.645 52.037 0.086 0.000 0.691 259 A CB 2.204 21.263 19.000 0.098 0.000 1.282 259 A HN 0.621 nan 8.150 nan 0.000 0.401 260 L N 1.531 122.800 121.223 0.077 0.000 2.482 260 L HA 0.760 5.100 4.340 -0.000 0.000 0.263 260 L C 0.255 177.193 176.870 0.114 0.000 0.957 260 L CA 0.210 55.102 54.840 0.085 0.000 0.836 260 L CB 2.398 44.464 42.059 0.013 0.000 1.324 260 L HN 1.008 nan 8.230 nan 0.000 0.406 261 T N -0.566 114.086 114.554 0.163 0.000 2.904 261 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 261 T C 0.726 175.544 174.700 0.197 0.000 1.018 261 T CA 0.233 62.428 62.100 0.158 0.000 1.075 261 T CB 1.094 70.055 68.868 0.155 0.000 0.986 261 T HN 0.807 nan 8.240 nan 0.000 0.523 262 T N -2.421 112.219 114.554 0.144 0.000 3.043 262 T HA 0.268 4.618 4.350 -0.000 0.000 0.272 262 T C 0.946 175.701 174.700 0.092 0.000 0.990 262 T CA 0.179 62.364 62.100 0.141 0.000 0.897 262 T CB -0.207 68.727 68.868 0.110 0.000 1.111 262 T HN 0.948 nan 8.240 nan 0.000 0.529 263 T N -0.120 114.480 114.554 0.076 0.000 2.922 263 T HA 0.699 5.049 4.350 -0.000 0.000 0.281 263 T C 0.283 175.006 174.700 0.038 0.000 1.005 263 T CA -1.051 61.078 62.100 0.048 0.000 0.982 263 T CB 1.224 70.117 68.868 0.041 0.000 1.158 263 T HN 0.125 nan 8.240 nan 0.000 0.566 264 L N 0.365 121.601 121.223 0.021 0.000 3.202 264 L HA 0.451 4.791 4.340 -0.000 0.000 0.278 264 L C 0.268 177.141 176.870 0.006 0.000 1.268 264 L CA -0.333 54.512 54.840 0.008 0.000 1.034 264 L CB -0.070 41.987 42.059 -0.003 0.000 1.407 264 L HN 0.711 nan 8.230 nan 0.000 0.581 265 E N -0.972 119.236 120.200 0.014 0.000 2.412 265 E HA 0.294 4.644 4.350 -0.000 0.000 0.255 265 E C -0.989 175.620 176.600 0.014 0.000 0.933 265 E CA -1.133 55.274 56.400 0.011 0.000 0.823 265 E CB 1.099 30.808 29.700 0.014 0.000 1.352 265 E HN -0.069 nan 8.360 nan 0.000 0.406 266 D N 1.830 122.236 120.400 0.010 0.000 2.487 266 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 266 D C -0.594 175.724 176.300 0.030 0.000 1.154 266 D CA 1.026 55.035 54.000 0.015 0.000 0.876 266 D CB 0.439 41.242 40.800 0.003 0.000 1.161 266 D HN 0.277 nan 8.370 nan 0.000 0.478 267 E N 1.222 121.450 120.200 0.046 0.000 2.321 267 E HA 0.344 4.694 4.350 -0.000 0.000 0.281 267 E C -1.724 174.915 176.600 0.065 0.000 0.910 267 E CA -0.686 55.746 56.400 0.053 0.000 0.770 267 E CB 1.583 31.317 29.700 0.057 0.000 1.225 267 E HN 0.073 nan 8.360 nan 0.000 0.417 268 V N 5.806 125.755 119.914 0.058 0.000 2.435 268 V HA 0.500 4.620 4.120 -0.000 0.000 0.290 268 V C 0.190 176.316 176.094 0.052 0.000 1.030 268 V CA -0.497 61.836 62.300 0.056 0.000 0.881 268 V CB 1.059 32.910 31.823 0.046 0.000 0.983 268 V HN 0.535 nan 8.190 nan 0.000 0.445 269 I N 2.399 123.002 120.570 0.056 0.000 2.785 269 I HA 0.978 5.148 4.170 -0.000 0.000 0.302 269 I C -0.174 175.973 176.117 0.050 0.000 1.069 269 I CA -0.424 60.912 61.300 0.059 0.000 1.045 269 I CB 2.635 40.684 38.000 0.080 0.000 1.236 269 I HN 0.649 nan 8.210 nan 0.000 0.429 270 T N 1.362 115.943 114.554 0.046 0.000 2.883 270 T HA 0.926 5.276 4.350 -0.000 0.000 0.296 270 T C -0.758 173.966 174.700 0.040 0.000 1.117 270 T CA -0.713 61.408 62.100 0.034 0.000 1.006 270 T CB 1.947 70.826 68.868 0.018 0.000 1.191 270 T HN 1.400 nan 8.240 nan 0.000 0.508 271 A N 0.552 123.386 122.820 0.023 0.000 2.566 271 A HA 0.850 5.170 4.320 -0.000 0.000 0.297 271 A C -0.293 177.262 177.584 -0.049 0.000 1.059 271 A CA -0.593 51.459 52.037 0.025 0.000 0.691 271 A CB 0.986 20.036 19.000 0.084 0.000 1.282 271 A HN 1.725 nan 8.150 nan 0.000 0.401 272 A N 1.070 123.865 122.820 -0.042 0.000 2.450 272 A HA 0.569 4.889 4.320 -0.000 0.000 0.255 272 A C -0.204 177.214 177.584 -0.277 0.000 1.096 272 A CA -0.038 51.937 52.037 -0.104 0.000 0.778 272 A CB -0.023 18.959 19.000 -0.031 0.000 1.031 272 A HN 1.456 nan 8.150 nan 0.000 0.494 273 V N 3.616 123.255 119.914 -0.460 0.000 2.448 273 V HA 0.309 4.429 4.120 -0.000 0.000 0.295 273 V C -0.683 175.087 176.094 -0.541 0.000 1.025 273 V CA -0.586 61.117 62.300 -0.995 0.000 0.859 273 V CB 1.769 32.914 31.823 -1.129 0.000 0.988 273 V HN 0.940 nan 8.190 nan 0.000 0.431 274 D N 4.152 124.387 120.400 -0.275 0.000 2.441 274 D HA 0.349 4.989 4.640 -0.000 0.000 0.231 274 D C 0.920 177.342 176.300 0.204 0.000 1.073 274 D CA -0.350 53.677 54.000 0.045 0.000 0.850 274 D CB 1.620 42.535 40.800 0.191 0.000 1.062 274 D HN 0.398 nan 8.370 nan 0.000 0.524 275 L N 2.351 123.613 121.223 0.065 0.000 2.261 275 L HA -0.102 4.238 4.340 -0.000 0.000 0.216 275 L C 1.269 178.256 176.870 0.195 0.000 1.114 275 L CA 0.772 55.698 54.840 0.144 0.000 0.777 275 L CB -0.025 42.054 42.059 0.033 0.000 0.910 275 L HN 0.359 nan 8.230 nan 0.000 0.440 276 D N -0.303 120.189 120.400 0.153 0.000 2.363 276 D HA -0.102 4.538 4.640 -0.000 0.000 0.220 276 D C 2.141 178.522 176.300 0.136 0.000 0.994 276 D CA 0.387 54.457 54.000 0.117 0.000 0.890 276 D CB 0.120 40.968 40.800 0.079 0.000 0.906 276 D HN 0.110 nan 8.370 nan 0.000 0.530 277 R N 0.531 121.164 120.500 0.222 0.000 2.152 277 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 277 R C 1.926 178.256 176.300 0.050 0.000 1.117 277 R CA 0.865 57.056 56.100 0.151 0.000 0.981 277 R CB -0.747 29.685 30.300 0.221 0.000 0.870 277 R HN 0.106 nan 8.270 nan 0.000 0.451 278 C N 0.009 119.359 119.300 0.083 0.000 2.411 278 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 278 C C 2.293 177.283 174.990 0.001 0.000 1.288 278 C CA 0.857 59.884 59.018 0.016 0.000 1.764 278 C CB -0.982 26.795 27.740 0.061 0.000 1.974 278 C HN 0.508 nan 8.230 nan 0.000 0.498 279 R N 0.951 121.465 120.500 0.022 0.000 2.152 279 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 279 R C 1.975 178.313 176.300 0.063 0.000 1.117 279 R CA 1.125 57.230 56.100 0.008 0.000 0.981 279 R CB -0.355 29.957 30.300 0.021 0.000 0.870 279 R HN 0.686 nan 8.270 nan 0.000 0.451 280 E N 0.177 120.427 120.200 0.084 0.000 2.209 280 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 280 E C 1.488 178.165 176.600 0.129 0.000 0.993 280 E CA 0.789 57.266 56.400 0.128 0.000 0.819 280 E CB 0.134 29.854 29.700 0.032 0.000 0.745 280 E HN 0.214 nan 8.360 nan 0.000 0.477 281 L N -0.411 120.844 121.223 0.053 0.000 2.433 281 L HA 0.089 4.429 4.340 -0.000 0.000 0.200 281 L C 2.000 178.874 176.870 0.005 0.000 1.059 281 L CA 0.649 55.502 54.840 0.021 0.000 0.835 281 L CB -0.726 41.376 42.059 0.071 0.000 1.076 281 L HN -0.008 nan 8.230 nan 0.000 0.481 282 R N 0.876 121.341 120.500 -0.059 0.000 2.316 282 R HA -0.029 4.311 4.340 -0.000 0.000 0.202 282 R C 1.076 177.260 176.300 -0.192 0.000 1.029 282 R CA 0.456 56.450 56.100 -0.176 0.000 1.018 282 R CB -0.021 30.135 30.300 -0.241 0.000 0.888 282 R HN 0.534 nan 8.270 nan 0.000 0.471 283 E N -1.315 118.748 120.200 -0.228 0.000 2.526 283 E HA 0.095 4.445 4.350 -0.000 0.000 0.208 283 E C 0.387 176.590 176.600 -0.662 0.000 0.997 283 E CA -0.030 56.117 56.400 -0.422 0.000 0.961 283 E CB 0.568 29.978 29.700 -0.483 0.000 1.030 283 E HN 0.351 nan 8.360 nan 0.000 0.483 284 H N -0.137 118.926 119.070 -0.011 0.000 5.214 284 H HA 0.191 4.747 4.556 0.000 0.000 0.090 284 H C 1.794 177.166 175.328 0.074 0.000 1.307 284 H CA -0.354 55.705 56.048 0.018 0.000 0.450 284 H CB -0.360 29.383 29.762 -0.031 0.000 1.651 284 H HN -0.078 nan 8.280 nan 0.000 0.136 285 I N 0.674 121.268 120.570 0.039 0.000 2.335 285 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 285 I C 0.343 176.368 176.117 -0.154 0.000 1.129 285 I CA 1.541 62.708 61.300 -0.221 0.000 1.402 285 I CB 0.021 37.682 38.000 -0.565 0.000 1.069 285 I HN 0.112 nan 8.210 nan 0.000 0.424 286 F N 0.437 120.456 119.950 0.115 0.000 2.893 286 F HA 0.245 4.772 4.527 0.000 0.000 0.340 286 F C 0.429 176.273 175.800 0.074 0.000 1.300 286 F CA -0.807 57.276 58.000 0.140 0.000 1.227 286 F CB -0.078 38.921 39.000 -0.002 0.000 1.044 286 F HN -0.023 nan 8.300 nan 0.000 0.512 287 N N 1.903 120.770 118.700 0.278 0.000 2.466 287 N HA 0.034 4.774 4.740 -0.000 0.000 0.263 287 N C 1.119 176.716 175.510 0.145 0.000 1.178 287 N CA 0.290 53.342 53.050 0.004 0.000 0.983 287 N CB -0.009 38.360 38.487 -0.196 0.000 1.331 287 N HN 0.378 nan 8.380 nan 0.000 0.500 288 F N 1.994 121.967 119.950 0.039 0.000 2.043 288 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 288 F C 1.964 177.766 175.800 0.003 0.000 1.118 288 F CA 0.888 58.916 58.000 0.046 0.000 1.202 288 F CB 0.029 39.049 39.000 0.033 0.000 0.965 288 F HN 0.373 nan 8.300 nan 0.000 0.482 289 K N 0.301 120.807 120.400 0.177 0.000 2.113 289 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 289 K C 1.813 178.409 176.600 -0.007 0.000 1.047 289 K CA 1.365 57.690 56.287 0.062 0.000 0.928 289 K CB -0.529 31.984 32.500 0.021 0.000 0.716 289 K HN 0.321 nan 8.250 nan 0.000 0.446 290 Q N -1.254 118.480 119.800 -0.111 0.000 2.269 290 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 290 Q C 1.017 176.916 176.000 -0.168 0.000 0.946 290 Q CA 1.123 56.794 55.803 -0.220 0.000 0.877 290 Q CB 0.221 28.709 28.738 -0.417 0.000 0.963 290 Q HN 0.613 nan 8.270 nan 0.000 0.472 291 H N -1.498 117.643 119.070 0.119 0.000 2.695 291 H HA 0.257 4.813 4.556 0.000 0.000 0.267 291 H C 0.103 175.504 175.328 0.122 0.000 0.973 291 H CA -0.590 55.532 56.048 0.123 0.000 1.223 291 H CB 0.658 30.517 29.762 0.161 0.000 1.442 291 H HN -0.084 nan 8.280 nan 0.000 0.478 292 R N 1.878 122.521 120.500 0.237 0.000 2.679 292 R HA 0.059 4.399 4.340 -0.000 0.000 0.268 292 R C -0.259 176.069 176.300 0.047 0.000 1.044 292 R CA 0.277 56.488 56.100 0.184 0.000 1.105 292 R CB 0.445 30.826 30.300 0.134 0.000 0.989 292 R HN 0.245 nan 8.270 nan 0.000 0.447 293 Q N 2.763 122.498 119.800 -0.108 0.000 2.943 293 Q HA 0.156 4.496 4.340 -0.000 0.000 0.327 293 Q C -1.908 173.546 176.000 -0.911 0.000 0.937 293 Q CA -1.637 53.982 55.803 -0.306 0.000 0.914 293 Q CB 1.453 30.141 28.738 -0.083 0.000 1.339 293 Q HN 0.497 nan 8.270 nan 0.000 0.417 294 P HA -0.251 nan 4.420 nan 0.000 0.220 294 P C 1.135 178.123 177.300 -0.519 0.000 1.144 294 P CA 1.331 63.992 63.100 -0.731 0.000 0.800 294 P CB 0.293 31.868 31.700 -0.208 0.000 0.772 295 Q N -0.780 118.746 119.800 -0.456 0.000 2.364 295 Q HA -0.179 4.161 4.340 -0.000 0.000 0.209 295 Q C 1.002 176.706 176.000 -0.492 0.000 0.977 295 Q CA 1.416 56.967 55.803 -0.419 0.000 0.885 295 Q CB -1.135 27.328 28.738 -0.459 0.000 0.941 295 Q HN 0.478 nan 8.270 nan 0.000 0.464 296 H N -1.022 117.870 119.070 -0.297 0.000 2.594 296 H HA 0.137 4.693 4.556 0.000 0.000 0.279 296 H C 0.076 175.440 175.328 0.060 0.000 1.042 296 H CA -0.088 55.885 56.048 -0.126 0.000 1.177 296 H CB 0.482 30.188 29.762 -0.095 0.000 1.524 296 H HN 0.251 nan 8.280 nan 0.000 0.537 297 Y N -0.607 119.723 120.300 0.050 0.000 2.507 297 Y HA 0.276 4.826 4.550 0.000 0.000 0.254 297 Y C 2.274 178.181 175.900 0.011 0.000 1.171 297 Y CA -0.447 57.666 58.100 0.022 0.000 1.238 297 Y CB -0.320 38.132 38.460 -0.013 0.000 1.148 297 Y HN 0.128 nan 8.280 nan 0.000 0.525 298 G N 0.930 109.806 108.800 0.128 0.000 2.505 298 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 298 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 298 G C 1.727 176.673 174.900 0.077 0.000 1.145 298 G CA 1.228 46.373 45.100 0.076 0.000 0.761 298 G HN 0.396 nan 8.290 nan 0.000 0.571 299 L N 0.921 122.194 121.223 0.084 0.000 2.129 299 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 299 L C 2.631 179.540 176.870 0.065 0.000 1.087 299 L CA 1.275 56.156 54.840 0.068 0.000 0.757 299 L CB -0.331 41.768 42.059 0.067 0.000 0.896 299 L HN 0.338 nan 8.230 nan 0.000 0.434 300 I N -0.660 119.954 120.570 0.072 0.000 2.454 300 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 300 I C 2.134 178.288 176.117 0.062 0.000 1.156 300 I CA 1.152 62.488 61.300 0.059 0.000 1.433 300 I CB -0.513 37.510 38.000 0.038 0.000 1.082 300 I HN 0.366 nan 8.210 nan 0.000 0.432 301 A N -0.229 122.628 122.820 0.062 0.000 2.308 301 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 301 A C 0.692 178.304 177.584 0.046 0.000 1.216 301 A CA -0.201 51.870 52.037 0.056 0.000 0.864 301 A CB -0.249 18.784 19.000 0.054 0.000 0.902 301 A HN 0.279 nan 8.150 nan 0.000 0.499 302 E N 0.965 121.192 120.200 0.045 0.000 2.344 302 E HA 0.233 4.583 4.350 -0.000 0.000 0.270 302 E C -0.280 176.341 176.600 0.035 0.000 1.021 302 E CA -0.352 56.071 56.400 0.037 0.000 0.887 302 E CB 0.684 30.407 29.700 0.037 0.000 0.997 302 E HN 0.207 nan 8.360 nan 0.000 0.429 303 L N 0.000 121.240 121.223 0.028 0.000 2.949 303 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 303 L CA 0.000 54.855 54.840 0.024 0.000 0.813 303 L CB 0.000 42.070 42.059 0.019 0.000 0.961 303 L HN 0.000 nan 8.230 nan 0.000 0.502