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 2ev3_1_A DATA FIRST_RESID 12 DATA SEQUENCE NIDDLLGDLG GTARAERAKL VEWLLEQGIT PDEIRATNPP LLLATRHLVG DATA SEQUENCE DDGTYVSARE ISENYGVDLE LLQRVQRAVG LARVDDPDAV VHMRADGEAA DATA SEQUENCE ARAQRFVELG LNPDQVVLVV RVLAEGLSHA AEAMRYTALE AIMRPGATEL DATA SEQUENCE DIAKGSQALV SQIVPLLGPM IQDMLFMQLR HMME 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 12 N HA 0.000 nan 4.740 nan 0.000 0.220 12 N C 0.000 175.518 175.510 0.013 0.000 1.280 12 N CA 0.000 53.056 53.050 0.011 0.000 0.885 12 N CB 0.000 38.492 38.487 0.008 0.000 1.341 13 I N 2.289 122.869 120.570 0.017 0.000 2.300 13 I HA -0.366 3.824 4.170 0.034 0.000 0.252 13 I C 1.306 177.434 176.117 0.019 0.000 1.119 13 I CA 2.522 63.834 61.300 0.021 0.000 1.384 13 I CB -0.243 37.773 38.000 0.027 0.000 1.062 13 I HN 0.301 nan 8.210 nan 0.000 0.426 14 D N 0.404 120.813 120.400 0.016 0.000 2.191 14 D HA -0.352 4.308 4.640 0.034 0.000 0.195 14 D C 1.679 177.986 176.300 0.013 0.000 1.003 14 D CA 1.995 56.003 54.000 0.014 0.000 0.867 14 D CB -0.799 40.007 40.800 0.011 0.000 0.926 14 D HN 0.528 nan 8.370 nan 0.000 0.450 15 D N 0.770 121.177 120.400 0.012 0.000 2.117 15 D HA -0.093 4.567 4.640 0.034 0.000 0.198 15 D C 2.351 178.659 176.300 0.013 0.000 0.982 15 D CA 0.544 54.551 54.000 0.010 0.000 0.828 15 D CB -0.280 40.525 40.800 0.009 0.000 0.967 15 D HN 0.256 nan 8.370 nan 0.000 0.464 16 L N -0.059 121.173 121.223 0.016 0.000 2.275 16 L HA -0.039 4.321 4.340 0.034 0.000 0.215 16 L C 2.382 179.264 176.870 0.021 0.000 1.119 16 L CA 0.333 55.184 54.840 0.019 0.000 0.790 16 L CB -0.241 41.832 42.059 0.023 0.000 0.919 16 L HN 0.122 nan 8.230 nan 0.000 0.443 17 L N -0.718 120.517 121.223 0.020 0.000 2.201 17 L HA 0.005 4.365 4.340 0.034 0.000 0.212 17 L C 1.758 178.638 176.870 0.016 0.000 1.105 17 L CA 0.675 55.527 54.840 0.020 0.000 0.775 17 L CB -1.072 40.998 42.059 0.018 0.000 0.913 17 L HN 0.462 nan 8.230 nan 0.000 0.440 18 G N 0.511 109.319 108.800 0.013 0.000 2.536 18 G HA2 -0.338 3.642 3.960 0.034 0.000 0.280 18 G HA3 -0.338 3.642 3.960 0.034 0.000 0.280 18 G C 0.310 175.216 174.900 0.009 0.000 1.152 18 G CA 0.333 45.439 45.100 0.011 0.000 0.970 18 G HN 0.261 nan 8.290 nan 0.000 0.549 19 D N 0.949 121.354 120.400 0.008 0.000 2.350 19 D HA 0.180 4.840 4.640 0.034 0.000 0.213 19 D C 1.349 177.653 176.300 0.007 0.000 1.031 19 D CA 0.095 54.099 54.000 0.007 0.000 0.861 19 D CB 0.113 40.916 40.800 0.006 0.000 0.926 19 D HN 0.364 nan 8.370 nan 0.000 0.520 20 L N 1.001 122.230 121.223 0.009 0.000 2.455 20 L HA 0.306 4.666 4.340 0.034 0.000 0.272 20 L C 1.096 177.971 176.870 0.008 0.000 1.174 20 L CA 0.050 54.896 54.840 0.009 0.000 0.869 20 L CB 0.829 42.895 42.059 0.011 0.000 1.130 20 L HN -0.090 nan 8.230 nan 0.000 0.474 21 G N 0.749 109.553 108.800 0.007 0.000 2.680 21 G HA2 0.613 4.593 3.960 0.034 0.000 0.290 21 G HA3 0.613 4.593 3.960 0.034 0.000 0.290 21 G C 0.009 174.912 174.900 0.005 0.000 1.355 21 G CA -0.007 45.096 45.100 0.006 0.000 0.903 21 G HN 0.927 nan 8.290 nan 0.000 0.474 22 G N -0.234 108.569 108.800 0.005 0.000 2.565 22 G HA2 -0.293 3.688 3.960 0.034 0.000 0.295 22 G HA3 -0.293 3.688 3.960 0.034 0.000 0.295 22 G C 1.410 176.312 174.900 0.004 0.000 1.165 22 G CA 1.501 46.603 45.100 0.004 0.000 0.977 22 G HN 1.402 nan 8.290 nan 0.000 0.546 23 T N 1.720 116.276 114.554 0.003 0.000 2.770 23 T HA 0.218 4.588 4.350 0.034 0.000 0.263 23 T C 2.781 177.483 174.700 0.003 0.000 1.039 23 T CA 2.829 64.931 62.100 0.002 0.000 1.142 23 T CB -0.624 68.245 68.868 0.001 0.000 0.868 23 T HN 1.505 nan 8.240 nan 0.000 0.435 24 A N 1.240 124.063 122.820 0.004 0.000 2.121 24 A HA -0.017 4.323 4.320 0.034 0.000 0.218 24 A C 2.250 179.839 177.584 0.008 0.000 1.154 24 A CA 1.277 53.317 52.037 0.006 0.000 0.679 24 A CB -0.504 18.499 19.000 0.006 0.000 0.795 24 A HN 0.389 nan 8.150 nan 0.000 0.458 25 R N -0.586 119.919 120.500 0.009 0.000 2.062 25 R HA 0.055 4.415 4.340 0.034 0.000 0.226 25 R C 2.317 178.625 176.300 0.013 0.000 1.125 25 R CA 1.158 57.265 56.100 0.011 0.000 0.966 25 R CB -0.336 29.970 30.300 0.010 0.000 0.861 25 R HN 0.389 nan 8.270 nan 0.000 0.433 26 A N 0.933 123.759 122.820 0.010 0.000 1.972 26 A HA -0.166 4.174 4.320 0.034 0.000 0.219 26 A C 1.872 179.461 177.584 0.009 0.000 1.169 26 A CA 1.437 53.480 52.037 0.010 0.000 0.635 26 A CB -0.390 18.614 19.000 0.006 0.000 0.810 26 A HN 0.473 nan 8.150 nan 0.000 0.446 27 E N -0.857 119.347 120.200 0.006 0.000 2.017 27 E HA -0.234 4.136 4.350 0.034 0.000 0.193 27 E C 2.332 178.939 176.600 0.012 0.000 0.997 27 E CA 1.335 57.737 56.400 0.002 0.000 0.804 27 E CB -0.162 29.538 29.700 -0.001 0.000 0.757 27 E HN 0.445 nan 8.360 nan 0.000 0.448 28 R N 1.157 121.668 120.500 0.018 0.000 2.105 28 R HA -0.151 4.209 4.340 0.034 0.000 0.239 28 R C 1.962 178.286 176.300 0.040 0.000 1.135 28 R CA 1.729 57.846 56.100 0.030 0.000 0.967 28 R CB -0.789 29.527 30.300 0.027 0.000 0.861 28 R HN 0.175 nan 8.270 nan 0.000 0.442 29 A N 0.700 123.539 122.820 0.032 0.000 1.883 29 A HA -0.216 4.125 4.320 0.034 0.000 0.217 29 A C 2.065 179.679 177.584 0.050 0.000 1.186 29 A CA 1.980 54.039 52.037 0.037 0.000 0.624 29 A CB -0.498 18.518 19.000 0.027 0.000 0.822 29 A HN 0.422 nan 8.150 nan 0.000 0.444 30 K N -1.075 119.351 120.400 0.043 0.000 2.097 30 K HA -0.090 4.250 4.320 0.034 0.000 0.205 30 K C 1.938 178.593 176.600 0.093 0.000 1.050 30 K CA 1.294 57.612 56.287 0.052 0.000 0.938 30 K CB -0.350 32.159 32.500 0.016 0.000 0.718 30 K HN 0.405 nan 8.250 nan 0.000 0.442 31 L N 0.963 122.236 121.223 0.083 0.000 2.046 31 L HA -0.147 4.213 4.340 0.034 0.000 0.208 31 L C 1.934 178.929 176.870 0.208 0.000 1.077 31 L CA 1.505 56.430 54.840 0.141 0.000 0.747 31 L CB -0.233 41.881 42.059 0.092 0.000 0.896 31 L HN -0.118 nan 8.230 nan 0.000 0.432 32 V N -0.304 119.690 119.914 0.134 0.000 2.548 32 V HA -0.149 3.991 4.120 0.034 0.000 0.249 32 V C 2.559 178.719 176.094 0.110 0.000 1.055 32 V CA 1.429 63.795 62.300 0.110 0.000 1.065 32 V CB -0.646 31.219 31.823 0.070 0.000 0.681 32 V HN 0.439 nan 8.190 nan 0.000 0.462 33 E N -1.036 119.236 120.200 0.120 0.000 2.150 33 E HA -0.248 4.122 4.350 0.034 0.000 0.193 33 E C 1.832 178.526 176.600 0.157 0.000 0.985 33 E CA 1.328 57.795 56.400 0.111 0.000 0.814 33 E CB -0.216 29.545 29.700 0.102 0.000 0.752 33 E HN 0.811 nan 8.360 nan 0.000 0.466 34 W N 1.411 122.719 121.300 0.014 0.000 2.407 34 W HA -0.045 4.634 4.660 0.032 0.000 0.305 34 W C 1.999 178.531 176.519 0.021 0.000 1.196 34 W CA 0.971 58.326 57.345 0.017 0.000 1.311 34 W CB -0.422 29.049 29.460 0.018 0.000 1.135 34 W HN -0.054 nan 8.180 nan 0.000 0.514 35 L N 0.134 121.407 121.223 0.083 0.000 2.131 35 L HA -0.222 4.138 4.340 0.034 0.000 0.210 35 L C 2.426 179.224 176.870 -0.120 0.000 1.092 35 L CA 1.015 55.806 54.840 -0.082 0.000 0.759 35 L CB -0.863 41.235 42.059 0.066 0.000 0.903 35 L HN 0.034 nan 8.230 nan 0.000 0.435 36 L N -0.627 120.564 121.223 -0.055 0.000 2.093 36 L HA -0.179 4.181 4.340 0.034 0.000 0.208 36 L C 2.462 179.277 176.870 -0.091 0.000 1.085 36 L CA 1.152 55.960 54.840 -0.052 0.000 0.755 36 L CB -0.326 41.726 42.059 -0.013 0.000 0.904 36 L HN 0.265 nan 8.230 nan 0.000 0.435 37 E N -0.501 119.625 120.200 -0.124 0.000 2.106 37 E HA -0.198 4.173 4.350 0.034 0.000 0.192 37 E C 1.796 178.261 176.600 -0.224 0.000 0.984 37 E CA 0.637 56.948 56.400 -0.149 0.000 0.806 37 E CB 0.033 29.649 29.700 -0.139 0.000 0.750 37 E HN 0.411 nan 8.360 nan 0.000 0.458 38 Q N -0.491 119.099 119.800 -0.349 0.000 2.515 38 Q HA 0.006 4.366 4.340 0.034 0.000 0.214 38 Q C 1.140 176.994 176.000 -0.244 0.000 0.971 38 Q CA 0.911 56.484 55.803 -0.383 0.000 0.952 38 Q CB 0.880 29.252 28.738 -0.610 0.000 0.999 38 Q HN 0.484 nan 8.270 nan 0.000 0.524 39 G N 0.340 109.037 108.800 -0.171 0.000 2.194 39 G HA2 -0.214 3.767 3.960 0.034 0.000 0.236 39 G HA3 -0.214 3.767 3.960 0.034 0.000 0.236 39 G C 0.271 175.123 174.900 -0.080 0.000 0.987 39 G CA -0.246 44.783 45.100 -0.119 0.000 0.635 39 G HN 0.280 nan 8.290 nan 0.000 0.520 40 I N 3.052 123.576 120.570 -0.076 0.000 2.588 40 I HA 0.273 4.463 4.170 0.034 0.000 0.283 40 I C 1.394 177.500 176.117 -0.018 0.000 1.119 40 I CA 0.511 61.792 61.300 -0.032 0.000 1.419 40 I CB 0.069 38.059 38.000 -0.017 0.000 1.394 40 I HN 0.343 nan 8.210 nan 0.000 0.562 41 T N 3.869 118.423 114.554 -0.001 0.000 2.909 41 T HA 0.286 4.656 4.350 0.034 0.000 0.289 41 T C -1.784 172.923 174.700 0.010 0.000 1.005 41 T CA -1.704 60.398 62.100 0.004 0.000 1.084 41 T CB 1.184 70.058 68.868 0.010 0.000 0.975 41 T HN 0.330 nan 8.240 nan 0.000 0.509 42 P HA -0.141 nan 4.420 nan 0.000 0.218 42 P C 1.195 178.503 177.300 0.014 0.000 1.146 42 P CA 0.901 64.008 63.100 0.012 0.000 0.820 42 P CB 0.078 31.783 31.700 0.009 0.000 0.778 43 D N -0.086 120.322 120.400 0.013 0.000 2.084 43 D HA -0.171 4.489 4.640 0.034 0.000 0.194 43 D C 1.740 178.051 176.300 0.018 0.000 0.990 43 D CA 1.264 55.271 54.000 0.012 0.000 0.826 43 D CB -0.291 40.514 40.800 0.010 0.000 0.971 43 D HN 0.200 nan 8.370 nan 0.000 0.453 44 E N -0.349 119.869 120.200 0.029 0.000 2.204 44 E HA -0.114 4.256 4.350 0.034 0.000 0.195 44 E C 2.364 178.987 176.600 0.039 0.000 0.990 44 E CA 0.438 56.863 56.400 0.042 0.000 0.821 44 E CB 0.100 29.834 29.700 0.056 0.000 0.750 44 E HN 0.425 nan 8.360 nan 0.000 0.477 45 I N 0.483 121.073 120.570 0.033 0.000 2.233 45 I HA -0.218 3.972 4.170 0.034 0.000 0.243 45 I C 2.468 178.602 176.117 0.028 0.000 1.093 45 I CA 0.888 62.209 61.300 0.035 0.000 1.380 45 I CB -0.166 37.855 38.000 0.035 0.000 1.067 45 I HN -0.038 nan 8.210 nan 0.000 0.413 46 R N 0.878 121.391 120.500 0.021 0.000 2.080 46 R HA -0.171 4.189 4.340 0.034 0.000 0.236 46 R C 2.366 178.674 176.300 0.013 0.000 1.137 46 R CA 1.821 57.930 56.100 0.015 0.000 0.943 46 R CB -0.536 29.770 30.300 0.009 0.000 0.846 46 R HN 0.381 nan 8.270 nan 0.000 0.431 47 A N -0.061 122.766 122.820 0.012 0.000 2.066 47 A HA -0.023 4.317 4.320 0.034 0.000 0.218 47 A C 0.566 178.159 177.584 0.015 0.000 1.157 47 A CA 0.983 53.024 52.037 0.007 0.000 0.670 47 A CB 0.137 19.137 19.000 -0.000 0.000 0.804 47 A HN 0.206 nan 8.150 nan 0.000 0.453 48 T N 2.491 117.060 114.554 0.025 0.000 2.874 48 T HA 0.383 4.753 4.350 0.034 0.000 0.321 48 T C -0.654 174.065 174.700 0.030 0.000 1.075 48 T CA -0.721 61.398 62.100 0.031 0.000 0.966 48 T CB -0.021 68.873 68.868 0.043 0.000 1.001 48 T HN 0.583 nan 8.240 nan 0.000 0.476 49 N N 3.085 121.800 118.700 0.024 0.000 2.399 49 N HA 0.446 5.206 4.740 0.034 0.000 0.284 49 N C -2.838 172.684 175.510 0.022 0.000 1.025 49 N CA -1.506 51.558 53.050 0.024 0.000 0.885 49 N CB 1.936 40.434 38.487 0.019 0.000 1.339 49 N HN 0.291 nan 8.380 nan 0.000 0.487 50 P HA 0.260 nan 4.420 nan 0.000 0.275 50 P C -2.264 175.060 177.300 0.039 0.000 1.227 50 P CA -1.063 62.055 63.100 0.030 0.000 0.781 50 P CB 1.020 32.737 31.700 0.029 0.000 0.906 51 P HA 0.070 nan 4.420 nan 0.000 0.256 51 P C 1.115 178.462 177.300 0.079 0.000 1.384 51 P CA -0.224 62.912 63.100 0.061 0.000 0.879 51 P CB 0.162 31.899 31.700 0.061 0.000 1.403 52 L N 0.039 121.304 121.223 0.070 0.000 2.079 52 L HA -0.083 4.277 4.340 0.034 0.000 0.210 52 L C 1.629 178.558 176.870 0.100 0.000 1.081 52 L CA 1.963 56.850 54.840 0.078 0.000 0.752 52 L CB -0.590 41.499 42.059 0.051 0.000 0.896 52 L HN -0.072 nan 8.230 nan 0.000 0.433 53 L N -1.395 119.877 121.223 0.080 0.000 2.965 53 L HA 0.149 4.509 4.340 0.034 0.000 0.254 53 L C 1.399 178.311 176.870 0.069 0.000 1.220 53 L CA -0.270 54.613 54.840 0.072 0.000 1.023 53 L CB 0.023 42.109 42.059 0.044 0.000 1.355 53 L HN 0.147 nan 8.230 nan 0.000 0.545 54 L N 0.254 121.532 121.223 0.091 0.000 2.291 54 L HA -0.018 4.343 4.340 0.034 0.000 0.214 54 L C 2.490 179.421 176.870 0.102 0.000 1.120 54 L CA 0.877 55.767 54.840 0.084 0.000 0.799 54 L CB -0.234 41.873 42.059 0.079 0.000 0.925 54 L HN 0.403 nan 8.230 nan 0.000 0.446 55 A N -1.270 121.627 122.820 0.129 0.000 2.251 55 A HA 0.013 4.353 4.320 0.034 0.000 0.209 55 A C 2.029 179.609 177.584 -0.007 0.000 1.187 55 A CA 0.916 53.043 52.037 0.150 0.000 0.823 55 A CB -0.324 18.790 19.000 0.190 0.000 0.846 55 A HN 0.282 nan 8.150 nan 0.000 0.486 56 T N -1.145 113.369 114.554 -0.067 0.000 3.015 56 T HA 0.063 4.433 4.350 0.034 0.000 0.250 56 T C 1.932 176.476 174.700 -0.260 0.000 1.057 56 T CA 0.011 62.002 62.100 -0.181 0.000 1.066 56 T CB -0.031 68.810 68.868 -0.046 0.000 0.959 56 T HN 0.394 nan 8.240 nan 0.000 0.488 57 R N 1.265 121.678 120.500 -0.145 0.000 2.105 57 R HA -0.124 4.236 4.340 0.034 0.000 0.239 57 R C 2.191 178.445 176.300 -0.077 0.000 1.135 57 R CA 1.698 57.755 56.100 -0.072 0.000 0.967 57 R CB -0.452 29.853 30.300 0.008 0.000 0.861 57 R HN 0.712 nan 8.270 nan 0.000 0.442 58 H N -0.964 118.105 119.070 -0.001 0.000 2.524 58 H HA 0.055 4.630 4.556 0.032 0.000 0.282 58 H C 1.699 177.026 175.328 -0.002 0.000 1.016 58 H CA 0.581 56.623 56.048 -0.010 0.000 1.270 58 H CB -0.417 29.334 29.762 -0.019 0.000 1.394 58 H HN 0.101 nan 8.280 nan 0.000 0.568 59 L N 0.982 122.035 121.223 -0.284 0.000 2.492 59 L HA 0.034 4.394 4.340 0.034 0.000 0.223 59 L C 1.026 177.866 176.870 -0.050 0.000 1.132 59 L CA 0.370 55.138 54.840 -0.121 0.000 0.850 59 L CB 0.292 42.251 42.059 -0.166 0.000 0.966 59 L HN 0.446 nan 8.230 nan 0.000 0.454 60 V N -5.048 114.837 119.914 -0.048 0.000 3.276 60 V HA 0.603 4.744 4.120 0.034 0.000 0.319 60 V C 1.072 177.161 176.094 -0.009 0.000 1.427 60 V CA 0.267 62.554 62.300 -0.022 0.000 1.102 60 V CB 0.217 32.026 31.823 -0.023 0.000 1.020 60 V HN 0.322 nan 8.190 nan 0.000 0.456 61 G N 0.712 109.513 108.800 0.001 0.000 2.211 61 G HA2 -0.221 3.759 3.960 0.034 0.000 0.201 61 G HA3 -0.221 3.759 3.960 0.034 0.000 0.201 61 G C -0.139 174.757 174.900 -0.008 0.000 0.997 61 G CA 0.038 45.140 45.100 0.002 0.000 0.652 61 G HN 0.626 nan 8.290 nan 0.000 0.500 62 D N 1.836 122.232 120.400 -0.007 0.000 2.393 62 D HA 0.446 5.106 4.640 0.034 0.000 0.232 62 D C 1.198 177.492 176.300 -0.009 0.000 1.192 62 D CA 0.050 54.031 54.000 -0.032 0.000 0.882 62 D CB 0.549 41.335 40.800 -0.023 0.000 1.038 62 D HN 0.283 nan 8.370 nan 0.000 0.499 63 D N 2.464 122.836 120.400 -0.046 0.000 2.328 63 D HA 0.119 4.779 4.640 0.034 0.000 0.221 63 D C 1.539 177.803 176.300 -0.059 0.000 1.072 63 D CA 0.263 54.244 54.000 -0.032 0.000 0.850 63 D CB -0.230 40.552 40.800 -0.029 0.000 0.922 63 D HN 0.508 nan 8.370 nan 0.000 0.516 64 G N 0.377 109.109 108.800 -0.115 0.000 2.162 64 G HA2 -0.273 3.707 3.960 0.034 0.000 0.260 64 G HA3 -0.273 3.707 3.960 0.034 0.000 0.260 64 G C 0.430 175.255 174.900 -0.125 0.000 0.976 64 G CA 0.754 45.799 45.100 -0.092 0.000 0.655 64 G HN 0.803 nan 8.290 nan 0.000 0.533 65 T N -1.648 112.773 114.554 -0.221 0.000 2.867 65 T HA 0.720 5.090 4.350 0.034 0.000 0.282 65 T C -0.485 174.037 174.700 -0.297 0.000 1.000 65 T CA -0.786 61.243 62.100 -0.119 0.000 1.042 65 T CB 2.160 71.007 68.868 -0.036 0.000 0.973 65 T HN 0.323 nan 8.240 nan 0.000 0.465 66 Y N 0.680 121.003 120.300 0.038 0.000 2.524 66 Y HA 0.641 5.214 4.550 0.038 0.000 0.344 66 Y C 0.155 176.091 175.900 0.060 0.000 1.012 66 Y CA -1.065 57.063 58.100 0.047 0.000 1.068 66 Y CB 2.268 40.743 38.460 0.025 0.000 1.249 66 Y HN 0.792 nan 8.280 nan 0.000 0.468 67 V N -1.175 118.882 119.914 0.239 0.000 3.040 67 V HA 0.839 4.979 4.120 0.034 0.000 0.312 67 V C -0.313 175.910 176.094 0.214 0.000 1.115 67 V CA -1.174 61.238 62.300 0.187 0.000 0.998 67 V CB 1.440 33.361 31.823 0.164 0.000 1.042 67 V HN 0.786 nan 8.190 nan 0.000 0.433 68 S N 1.342 117.145 115.700 0.170 0.000 2.672 68 S HA 0.723 5.214 4.470 0.034 0.000 0.276 68 S C 1.272 175.984 174.600 0.185 0.000 1.207 68 S CA -0.040 58.270 58.200 0.184 0.000 1.002 68 S CB 1.515 64.782 63.200 0.112 0.000 0.998 68 S HN 1.920 nan 8.310 nan 0.000 0.542 69 A N 1.094 124.031 122.820 0.195 0.000 2.024 69 A HA -0.110 4.230 4.320 0.034 0.000 0.220 69 A C 2.238 179.867 177.584 0.075 0.000 1.164 69 A CA 1.692 53.785 52.037 0.094 0.000 0.643 69 A CB -0.837 18.210 19.000 0.078 0.000 0.806 69 A HN 0.952 nan 8.150 nan 0.000 0.451 70 R N -0.044 120.504 120.500 0.080 0.000 2.066 70 R HA -0.145 4.216 4.340 0.034 0.000 0.232 70 R C 2.042 178.384 176.300 0.069 0.000 1.131 70 R CA 1.756 57.894 56.100 0.063 0.000 0.955 70 R CB -0.311 30.021 30.300 0.054 0.000 0.851 70 R HN 0.671 nan 8.270 nan 0.000 0.432 71 E N 0.274 120.524 120.200 0.083 0.000 2.038 71 E HA -0.232 4.138 4.350 0.034 0.000 0.195 71 E C 2.093 178.769 176.600 0.126 0.000 1.000 71 E CA 1.802 58.255 56.400 0.089 0.000 0.803 71 E CB -0.238 29.521 29.700 0.099 0.000 0.750 71 E HN 0.406 nan 8.360 nan 0.000 0.448 72 I N 1.559 122.224 120.570 0.159 0.000 2.127 72 I HA -0.312 3.878 4.170 0.034 0.000 0.241 72 I C 2.802 179.050 176.117 0.218 0.000 1.075 72 I CA 1.538 62.981 61.300 0.238 0.000 1.334 72 I CB -0.494 37.559 38.000 0.088 0.000 1.040 72 I HN 0.117 nan 8.210 nan 0.000 0.405 73 S N -0.000 115.768 115.700 0.113 0.000 2.368 73 S HA -0.266 4.224 4.470 0.034 0.000 0.225 73 S C 1.947 176.595 174.600 0.080 0.000 1.030 73 S CA 1.567 59.817 58.200 0.083 0.000 0.999 73 S CB -0.519 62.712 63.200 0.051 0.000 0.844 73 S HN 0.562 nan 8.310 nan 0.000 0.459 74 E N 1.589 121.828 120.200 0.065 0.000 2.051 74 E HA -0.085 4.285 4.350 0.034 0.000 0.189 74 E C 2.004 178.613 176.600 0.016 0.000 0.979 74 E CA 0.823 57.244 56.400 0.036 0.000 0.803 74 E CB -0.227 29.487 29.700 0.024 0.000 0.761 74 E HN 0.720 nan 8.360 nan 0.000 0.451 75 N N -0.591 118.110 118.700 0.002 0.000 2.028 75 N HA -0.170 4.590 4.740 0.034 0.000 0.194 75 N C 1.488 176.894 175.510 -0.174 0.000 1.050 75 N CA 1.302 54.276 53.050 -0.126 0.000 0.848 75 N CB -0.211 38.136 38.487 -0.233 0.000 1.038 75 N HN 0.177 nan 8.380 nan 0.000 0.423 76 Y N 0.465 120.766 120.300 0.002 0.000 2.632 76 Y HA 0.118 4.686 4.550 0.031 0.000 0.301 76 Y C 1.596 177.496 175.900 -0.000 0.000 1.172 76 Y CA 0.328 58.428 58.100 0.000 0.000 1.328 76 Y CB -0.237 38.223 38.460 0.000 0.000 1.016 76 Y HN 0.173 nan 8.280 nan 0.000 0.529 77 G N 0.948 109.812 108.800 0.106 0.000 2.246 77 G HA2 -0.217 3.763 3.960 0.034 0.000 0.273 77 G HA3 -0.217 3.763 3.960 0.034 0.000 0.273 77 G C -0.074 174.864 174.900 0.063 0.000 1.055 77 G CA 0.290 45.426 45.100 0.061 0.000 0.851 77 G HN 0.482 nan 8.290 nan 0.000 0.500 78 V N -2.912 117.047 119.914 0.076 0.000 2.919 78 V HA 0.824 4.964 4.120 0.034 0.000 0.316 78 V C 0.275 176.393 176.094 0.040 0.000 1.077 78 V CA -1.029 61.303 62.300 0.054 0.000 0.977 78 V CB 2.077 33.932 31.823 0.053 0.000 1.039 78 V HN 0.305 nan 8.190 nan 0.000 0.441 79 D N 1.572 121.990 120.400 0.030 0.000 2.417 79 D HA 0.098 4.758 4.640 0.034 0.000 0.250 79 D C 0.738 177.049 176.300 0.018 0.000 1.166 79 D CA 0.001 54.015 54.000 0.023 0.000 0.881 79 D CB 1.372 42.184 40.800 0.020 0.000 1.164 79 D HN 0.675 nan 8.370 nan 0.000 0.467 80 L N 3.879 125.114 121.223 0.019 0.000 2.046 80 L HA -0.114 4.246 4.340 0.034 0.000 0.208 80 L C 1.823 178.699 176.870 0.009 0.000 1.077 80 L CA 1.764 56.614 54.840 0.016 0.000 0.747 80 L CB -0.343 41.728 42.059 0.021 0.000 0.896 80 L HN 0.603 nan 8.230 nan 0.000 0.432 81 E N -0.833 119.373 120.200 0.011 0.000 2.051 81 E HA -0.258 4.112 4.350 0.034 0.000 0.192 81 E C 2.119 178.721 176.600 0.004 0.000 0.991 81 E CA 1.439 57.844 56.400 0.008 0.000 0.799 81 E CB -0.336 29.369 29.700 0.009 0.000 0.748 81 E HN 0.414 nan 8.360 nan 0.000 0.449 82 L N 1.039 122.265 121.223 0.005 0.000 2.056 82 L HA -0.135 4.225 4.340 0.034 0.000 0.207 82 L C 2.230 179.095 176.870 -0.008 0.000 1.078 82 L CA 1.132 55.974 54.840 0.002 0.000 0.749 82 L CB -0.366 41.700 42.059 0.011 0.000 0.901 82 L HN 0.118 nan 8.230 nan 0.000 0.433 83 L N -0.397 120.818 121.223 -0.012 0.000 1.990 83 L HA -0.287 4.074 4.340 0.034 0.000 0.213 83 L C 2.497 179.338 176.870 -0.047 0.000 1.072 83 L CA 2.000 56.819 54.840 -0.035 0.000 0.755 83 L CB -0.726 41.311 42.059 -0.036 0.000 0.889 83 L HN 0.435 nan 8.230 nan 0.000 0.432 84 Q N -0.962 118.822 119.800 -0.027 0.000 2.124 84 Q HA -0.200 4.160 4.340 0.034 0.000 0.202 84 Q C 2.331 178.324 176.000 -0.012 0.000 0.977 84 Q CA 1.563 57.356 55.803 -0.016 0.000 0.850 84 Q CB -0.142 28.600 28.738 0.007 0.000 0.901 84 Q HN 0.550 nan 8.270 nan 0.000 0.429 85 R N -0.133 120.360 120.500 -0.012 0.000 2.073 85 R HA -0.109 4.251 4.340 0.034 0.000 0.234 85 R C 2.352 178.639 176.300 -0.021 0.000 1.134 85 R CA 1.332 57.425 56.100 -0.012 0.000 0.952 85 R CB -0.384 29.910 30.300 -0.010 0.000 0.850 85 R HN 0.087 nan 8.270 nan 0.000 0.433 86 V N 1.594 121.491 119.914 -0.030 0.000 2.343 86 V HA -0.267 3.873 4.120 0.034 0.000 0.247 86 V C 2.338 178.406 176.094 -0.044 0.000 1.051 86 V CA 1.756 64.032 62.300 -0.040 0.000 1.036 86 V CB -0.522 31.275 31.823 -0.044 0.000 0.654 86 V HN 0.396 nan 8.190 nan 0.000 0.451 87 Q N -0.388 119.380 119.800 -0.052 0.000 2.170 87 Q HA -0.198 4.162 4.340 0.034 0.000 0.203 87 Q C 2.432 178.428 176.000 -0.007 0.000 0.976 87 Q CA 1.333 57.108 55.803 -0.047 0.000 0.858 87 Q CB -0.249 28.439 28.738 -0.083 0.000 0.907 87 Q HN 0.604 nan 8.270 nan 0.000 0.433 88 R N 0.168 120.665 120.500 -0.005 0.000 2.115 88 R HA -0.010 4.350 4.340 0.034 0.000 0.226 88 R C 2.215 178.510 176.300 -0.009 0.000 1.100 88 R CA 0.921 57.023 56.100 0.002 0.000 0.980 88 R CB -0.185 30.117 30.300 0.003 0.000 0.875 88 R HN 0.175 nan 8.270 nan 0.000 0.445 89 A N 0.648 123.457 122.820 -0.019 0.000 1.968 89 A HA -0.063 4.277 4.320 0.034 0.000 0.217 89 A C 2.248 179.815 177.584 -0.030 0.000 1.169 89 A CA 0.962 52.983 52.037 -0.027 0.000 0.638 89 A CB -0.228 18.751 19.000 -0.035 0.000 0.812 89 A HN 0.087 nan 8.150 nan 0.000 0.446 90 V N -0.447 119.450 119.914 -0.029 0.000 2.427 90 V HA 0.061 4.201 4.120 0.034 0.000 0.248 90 V C 1.892 177.973 176.094 -0.020 0.000 1.051 90 V CA 1.285 63.568 62.300 -0.028 0.000 1.048 90 V CB -1.546 30.262 31.823 -0.025 0.000 0.666 90 V HN 1.130 nan 8.190 nan 0.000 0.456 91 G N -0.104 108.690 108.800 -0.009 0.000 2.272 91 G HA2 -0.258 3.723 3.960 0.034 0.000 0.280 91 G HA3 -0.258 3.723 3.960 0.034 0.000 0.280 91 G C 0.381 175.281 174.900 0.000 0.000 1.067 91 G CA 0.751 45.848 45.100 -0.005 0.000 0.902 91 G HN 0.469 nan 8.290 nan 0.000 0.500 92 L N -1.528 119.705 121.223 0.017 0.000 2.766 92 L HA 0.554 4.914 4.340 0.034 0.000 0.241 92 L C 1.327 178.225 176.870 0.046 0.000 1.080 92 L CA 0.803 55.658 54.840 0.025 0.000 0.909 92 L CB 0.470 42.544 42.059 0.024 0.000 1.277 92 L HN 0.539 nan 8.230 nan 0.000 0.510 93 A N 0.663 123.529 122.820 0.077 0.000 2.375 93 A HA 0.510 4.851 4.320 0.034 0.000 0.291 93 A C 0.454 178.092 177.584 0.090 0.000 1.160 93 A CA -0.558 51.532 52.037 0.089 0.000 0.747 93 A CB 0.638 19.740 19.000 0.169 0.000 1.170 93 A HN 0.359 nan 8.150 nan 0.000 0.458 94 R N 1.990 122.512 120.500 0.036 0.000 2.362 94 R HA 0.274 4.634 4.340 0.034 0.000 0.227 94 R C -0.597 175.716 176.300 0.022 0.000 0.905 94 R CA 0.028 56.147 56.100 0.032 0.000 1.067 94 R CB -0.146 30.163 30.300 0.014 0.000 1.078 94 R HN 0.318 nan 8.270 nan 0.000 0.516 95 V N 2.662 122.574 119.914 -0.005 0.000 2.493 95 V HA -0.063 4.077 4.120 0.034 0.000 0.292 95 V C 0.424 176.538 176.094 0.033 0.000 1.016 95 V CA 0.732 63.022 62.300 -0.017 0.000 1.097 95 V CB 0.947 32.725 31.823 -0.075 0.000 0.947 95 V HN 0.286 nan 8.190 nan 0.000 0.479 96 D N 2.260 122.678 120.400 0.031 0.000 2.349 96 D HA 0.047 4.707 4.640 0.034 0.000 0.214 96 D C 0.580 176.908 176.300 0.048 0.000 1.063 96 D CA -0.004 54.024 54.000 0.046 0.000 0.847 96 D CB 0.289 41.105 40.800 0.028 0.000 0.933 96 D HN 0.832 nan 8.370 nan 0.000 0.513 97 D N -0.838 119.586 120.400 0.040 0.000 2.255 97 D HA 0.124 4.784 4.640 0.034 0.000 0.249 97 D C -1.412 174.921 176.300 0.056 0.000 1.078 97 D CA -1.583 52.439 54.000 0.036 0.000 0.896 97 D CB 1.597 42.409 40.800 0.019 0.000 1.194 97 D HN -0.214 nan 8.370 nan 0.000 0.429 98 P HA -0.157 nan 4.420 nan 0.000 0.217 98 P C 0.339 177.679 177.300 0.067 0.000 1.162 98 P CA 1.179 64.313 63.100 0.056 0.000 0.901 98 P CB 0.169 31.893 31.700 0.039 0.000 0.793 99 D N -1.965 118.464 120.400 0.049 0.000 2.462 99 D HA 0.223 4.883 4.640 0.034 0.000 0.221 99 D C -0.229 176.092 176.300 0.035 0.000 1.173 99 D CA -0.256 53.772 54.000 0.046 0.000 0.831 99 D CB -0.165 40.655 40.800 0.033 0.000 1.001 99 D HN -0.034 nan 8.370 nan 0.000 0.499 100 A N 0.695 123.532 122.820 0.027 0.000 2.395 100 A HA 0.306 4.647 4.320 0.034 0.000 0.286 100 A C 0.467 178.042 177.584 -0.015 0.000 1.193 100 A CA -0.304 51.726 52.037 -0.011 0.000 0.852 100 A CB 0.395 19.370 19.000 -0.042 0.000 1.118 100 A HN 0.033 nan 8.150 nan 0.000 0.524 101 V N 4.805 124.713 119.914 -0.010 0.000 2.242 101 V HA 0.110 4.250 4.120 0.034 0.000 0.242 101 V C 1.000 177.058 176.094 -0.060 0.000 1.240 101 V CA 0.960 63.271 62.300 0.017 0.000 1.211 101 V CB -0.436 31.410 31.823 0.039 0.000 1.338 101 V HN 0.992 nan 8.190 nan 0.000 0.499 102 V N -0.238 119.603 119.914 -0.122 0.000 3.392 102 V HA 0.387 4.528 4.120 0.034 0.000 0.294 102 V C 0.460 176.462 176.094 -0.154 0.000 1.561 102 V CA -0.163 61.998 62.300 -0.231 0.000 1.056 102 V CB -0.258 31.382 31.823 -0.305 0.000 0.882 102 V HN 0.659 nan 8.190 nan 0.000 0.440 103 H N 1.295 120.490 119.070 0.208 0.000 2.458 103 H HA 0.636 5.213 4.556 0.034 0.000 0.330 103 H C -0.151 175.317 175.328 0.233 0.000 1.111 103 H CA -0.546 55.617 56.048 0.193 0.000 1.245 103 H CB 1.709 31.526 29.762 0.092 0.000 1.456 103 H HN 0.262 nan 8.280 nan 0.000 0.488 104 M N 1.984 121.712 119.600 0.212 0.000 2.245 104 M HA 0.028 4.528 4.480 0.034 0.000 0.344 104 M C 2.035 178.312 176.300 -0.038 0.000 1.170 104 M CA 0.281 55.514 55.300 -0.111 0.000 1.135 104 M CB 1.169 33.697 32.600 -0.120 0.000 1.574 104 M HN 0.547 nan 8.290 nan 0.000 0.452 105 R N 2.089 122.533 120.500 -0.093 0.000 2.091 105 R HA -0.172 4.188 4.340 0.034 0.000 0.238 105 R C 1.814 178.103 176.300 -0.019 0.000 1.136 105 R CA 2.078 58.173 56.100 -0.008 0.000 0.959 105 R CB -0.275 30.026 30.300 0.003 0.000 0.856 105 R HN 0.916 nan 8.270 nan 0.000 0.437 106 A N 0.935 123.730 122.820 -0.043 0.000 1.933 106 A HA -0.167 4.173 4.320 0.034 0.000 0.218 106 A C 1.555 179.100 177.584 -0.065 0.000 1.175 106 A CA 1.839 53.851 52.037 -0.042 0.000 0.628 106 A CB -0.379 18.601 19.000 -0.034 0.000 0.814 106 A HN 0.349 nan 8.150 nan 0.000 0.444 107 D N -0.294 120.075 120.400 -0.052 0.000 2.117 107 D HA -0.025 4.635 4.640 0.034 0.000 0.198 107 D C 2.101 178.332 176.300 -0.114 0.000 0.982 107 D CA 1.445 55.412 54.000 -0.055 0.000 0.828 107 D CB -0.629 40.170 40.800 -0.001 0.000 0.967 107 D HN 0.401 nan 8.370 nan 0.000 0.464 108 G N 0.468 109.191 108.800 -0.128 0.000 2.418 108 G HA2 -0.302 3.678 3.960 0.034 0.000 0.217 108 G HA3 -0.302 3.678 3.960 0.034 0.000 0.217 108 G C 1.421 176.081 174.900 -0.401 0.000 1.158 108 G CA 0.817 45.790 45.100 -0.211 0.000 0.771 108 G HN 0.334 nan 8.290 nan 0.000 0.545 109 E N 0.544 120.454 120.200 -0.483 0.000 2.058 109 E HA -0.106 4.265 4.350 0.034 0.000 0.194 109 E C 2.743 179.130 176.600 -0.355 0.000 0.997 109 E CA 1.128 57.115 56.400 -0.688 0.000 0.801 109 E CB -0.260 29.236 29.700 -0.341 0.000 0.746 109 E HN 0.338 nan 8.360 nan 0.000 0.450 110 A N 1.050 123.751 122.820 -0.198 0.000 1.930 110 A HA -0.038 4.302 4.320 0.034 0.000 0.217 110 A C 2.359 179.885 177.584 -0.096 0.000 1.175 110 A CA 1.692 53.665 52.037 -0.106 0.000 0.627 110 A CB -0.635 18.324 19.000 -0.068 0.000 0.815 110 A HN 0.416 nan 8.150 nan 0.000 0.443 111 A N -0.308 122.434 122.820 -0.131 0.000 2.014 111 A HA 0.279 4.620 4.320 0.034 0.000 0.218 111 A C 2.328 179.857 177.584 -0.092 0.000 1.163 111 A CA 1.569 53.542 52.037 -0.106 0.000 0.652 111 A CB -0.752 18.167 19.000 -0.135 0.000 0.808 111 A HN 1.024 nan 8.150 nan 0.000 0.449 112 A N -0.241 122.490 122.820 -0.150 0.000 2.172 112 A HA -0.070 4.270 4.320 0.034 0.000 0.216 112 A C 2.070 179.640 177.584 -0.022 0.000 1.154 112 A CA 0.997 52.972 52.037 -0.104 0.000 0.701 112 A CB -0.427 18.450 19.000 -0.206 0.000 0.789 112 A HN 0.550 nan 8.150 nan 0.000 0.465 113 R N -0.515 119.983 120.500 -0.002 0.000 2.189 113 R HA -0.021 4.340 4.340 0.034 0.000 0.223 113 R C 2.364 178.788 176.300 0.207 0.000 1.092 113 R CA 0.854 57.005 56.100 0.084 0.000 0.989 113 R CB -0.371 30.001 30.300 0.120 0.000 0.876 113 R HN 0.512 nan 8.270 nan 0.000 0.457 114 A N 1.157 124.074 122.820 0.162 0.000 1.917 114 A HA -0.294 4.046 4.320 0.034 0.000 0.219 114 A C 2.111 179.820 177.584 0.207 0.000 1.182 114 A CA 1.634 53.789 52.037 0.196 0.000 0.633 114 A CB -0.441 18.595 19.000 0.059 0.000 0.819 114 A HN 0.219 nan 8.150 nan 0.000 0.448 115 Q N -0.364 119.503 119.800 0.111 0.000 2.096 115 Q HA -0.175 4.185 4.340 0.034 0.000 0.204 115 Q C 2.194 178.231 176.000 0.062 0.000 0.982 115 Q CA 1.706 57.554 55.803 0.074 0.000 0.850 115 Q CB -0.224 28.542 28.738 0.046 0.000 0.901 115 Q HN 0.536 nan 8.270 nan 0.000 0.422 116 R N -0.678 119.836 120.500 0.023 0.000 2.105 116 R HA -0.147 4.213 4.340 0.034 0.000 0.239 116 R C 2.142 178.350 176.300 -0.153 0.000 1.135 116 R CA 1.469 57.507 56.100 -0.103 0.000 0.967 116 R CB -0.664 29.503 30.300 -0.222 0.000 0.861 116 R HN 0.383 nan 8.270 nan 0.000 0.442 117 F N -0.159 119.791 119.950 0.001 0.000 2.206 117 F HA -0.124 4.418 4.527 0.025 0.000 0.298 117 F C 2.522 178.322 175.800 0.000 0.000 1.090 117 F CA 0.699 58.699 58.000 -0.000 0.000 1.323 117 F CB -0.539 38.458 39.000 -0.006 0.000 1.028 117 F HN -0.254 nan 8.300 nan 0.000 0.492 118 V N -0.046 119.977 119.914 0.181 0.000 2.407 118 V HA -0.258 3.882 4.120 0.034 0.000 0.248 118 V C 1.697 177.826 176.094 0.059 0.000 1.055 118 V CA 1.800 64.160 62.300 0.100 0.000 1.049 118 V CB -0.588 31.279 31.823 0.074 0.000 0.662 118 V HN 0.316 nan 8.190 nan 0.000 0.455 119 E N -0.233 119.991 120.200 0.039 0.000 2.526 119 E HA 0.009 4.379 4.350 0.034 0.000 0.198 119 E C 1.507 178.111 176.600 0.007 0.000 1.091 119 E CA 0.250 56.659 56.400 0.015 0.000 0.880 119 E CB -0.023 29.678 29.700 0.002 0.000 0.873 119 E HN 0.556 nan 8.360 nan 0.000 0.527 120 L N -1.080 120.153 121.223 0.017 0.000 2.640 120 L HA 0.262 4.622 4.340 0.034 0.000 0.230 120 L C 1.315 178.203 176.870 0.029 0.000 1.123 120 L CA 0.202 55.051 54.840 0.015 0.000 0.900 120 L CB 0.560 42.627 42.059 0.013 0.000 1.146 120 L HN 0.245 nan 8.230 nan 0.000 0.484 121 G N 0.335 109.156 108.800 0.035 0.000 2.163 121 G HA2 -0.218 3.762 3.960 0.034 0.000 0.213 121 G HA3 -0.218 3.762 3.960 0.034 0.000 0.213 121 G C 0.128 175.052 174.900 0.040 0.000 0.991 121 G CA -0.505 44.614 45.100 0.032 0.000 0.653 121 G HN 0.137 nan 8.290 nan 0.000 0.518 122 L N 0.814 122.072 121.223 0.059 0.000 2.397 122 L HA 0.311 4.671 4.340 0.034 0.000 0.271 122 L C 0.899 177.796 176.870 0.045 0.000 1.148 122 L CA -0.749 54.128 54.840 0.061 0.000 0.825 122 L CB 0.662 42.781 42.059 0.100 0.000 1.117 122 L HN 0.223 nan 8.230 nan 0.000 0.456 123 N N 3.766 122.483 118.700 0.028 0.000 2.452 123 N HA 0.066 4.826 4.740 0.034 0.000 0.266 123 N C -1.807 173.712 175.510 0.014 0.000 1.209 123 N CA -1.091 51.970 53.050 0.018 0.000 0.929 123 N CB 1.049 39.542 38.487 0.010 0.000 1.063 123 N HN 0.237 nan 8.380 nan 0.000 0.472 124 P HA -0.131 nan 4.420 nan 0.000 0.216 124 P C 0.305 177.604 177.300 -0.002 0.000 1.150 124 P CA 1.126 64.233 63.100 0.011 0.000 0.837 124 P CB 0.245 31.953 31.700 0.012 0.000 0.786 125 D N -0.909 119.489 120.400 -0.003 0.000 2.178 125 D HA -0.138 4.522 4.640 0.034 0.000 0.202 125 D C 1.963 178.253 176.300 -0.017 0.000 0.974 125 D CA 1.035 55.030 54.000 -0.009 0.000 0.841 125 D CB -0.150 40.646 40.800 -0.006 0.000 0.953 125 D HN 0.365 nan 8.370 nan 0.000 0.478 126 Q N 0.227 120.016 119.800 -0.018 0.000 2.204 126 Q HA 0.002 4.362 4.340 0.034 0.000 0.198 126 Q C 2.548 178.517 176.000 -0.051 0.000 0.946 126 Q CA 0.280 56.065 55.803 -0.029 0.000 0.859 126 Q CB 0.220 28.945 28.738 -0.021 0.000 0.946 126 Q HN 0.141 nan 8.270 nan 0.000 0.474 127 V N 1.015 120.899 119.914 -0.049 0.000 2.255 127 V HA -0.253 3.887 4.120 0.034 0.000 0.247 127 V C 2.409 178.446 176.094 -0.094 0.000 1.051 127 V CA 1.662 63.910 62.300 -0.087 0.000 1.018 127 V CB -0.596 31.202 31.823 -0.042 0.000 0.641 127 V HN 0.129 nan 8.190 nan 0.000 0.445 128 V N -0.451 119.429 119.914 -0.057 0.000 2.392 128 V HA -0.263 3.877 4.120 0.034 0.000 0.249 128 V C 2.344 178.405 176.094 -0.054 0.000 1.059 128 V CA 2.164 64.434 62.300 -0.051 0.000 1.051 128 V CB -0.597 31.208 31.823 -0.031 0.000 0.658 128 V HN 0.517 nan 8.190 nan 0.000 0.455 129 L N -0.133 121.060 121.223 -0.050 0.000 2.017 129 L HA -0.115 4.245 4.340 0.034 0.000 0.208 129 L C 2.358 179.192 176.870 -0.060 0.000 1.073 129 L CA 1.851 56.664 54.840 -0.046 0.000 0.745 129 L CB -0.422 41.615 42.059 -0.037 0.000 0.894 129 L HN 0.130 nan 8.230 nan 0.000 0.432 130 V N -1.072 118.792 119.914 -0.083 0.000 2.407 130 V HA -0.270 3.870 4.120 0.034 0.000 0.248 130 V C 2.476 178.502 176.094 -0.113 0.000 1.055 130 V CA 1.568 63.805 62.300 -0.106 0.000 1.049 130 V CB -0.532 31.201 31.823 -0.150 0.000 0.662 130 V HN 0.373 nan 8.190 nan 0.000 0.455 131 V N -0.054 119.789 119.914 -0.118 0.000 2.332 131 V HA -0.298 3.842 4.120 0.034 0.000 0.248 131 V C 2.540 178.590 176.094 -0.073 0.000 1.055 131 V CA 2.405 64.643 62.300 -0.103 0.000 1.038 131 V CB -0.862 30.906 31.823 -0.091 0.000 0.651 131 V HN 0.466 nan 8.190 nan 0.000 0.450 132 R N -0.057 120.407 120.500 -0.060 0.000 2.075 132 R HA -0.112 4.249 4.340 0.034 0.000 0.232 132 R C 2.180 178.456 176.300 -0.040 0.000 1.126 132 R CA 1.612 57.685 56.100 -0.045 0.000 0.963 132 R CB -0.215 30.063 30.300 -0.036 0.000 0.858 132 R HN 0.467 nan 8.270 nan 0.000 0.435 133 V N 1.165 121.054 119.914 -0.042 0.000 2.667 133 V HA -0.189 3.951 4.120 0.034 0.000 0.252 133 V C 2.274 178.350 176.094 -0.030 0.000 1.065 133 V CA 1.223 63.505 62.300 -0.030 0.000 1.083 133 V CB -0.329 31.475 31.823 -0.031 0.000 0.692 133 V HN 0.292 nan 8.190 nan 0.000 0.468 134 L N 0.260 121.454 121.223 -0.049 0.000 2.044 134 L HA -0.057 4.303 4.340 0.034 0.000 0.205 134 L C 2.711 179.558 176.870 -0.038 0.000 1.075 134 L CA 1.499 56.309 54.840 -0.049 0.000 0.747 134 L CB -0.657 41.358 42.059 -0.073 0.000 0.903 134 L HN 0.326 nan 8.230 nan 0.000 0.435 135 A N -0.534 122.259 122.820 -0.045 0.000 2.019 135 A HA -0.211 4.129 4.320 0.034 0.000 0.219 135 A C 2.124 179.673 177.584 -0.059 0.000 1.164 135 A CA 1.463 53.472 52.037 -0.047 0.000 0.644 135 A CB -0.379 18.592 19.000 -0.048 0.000 0.805 135 A HN 0.446 nan 8.150 nan 0.000 0.449 136 E N -0.723 119.449 120.200 -0.048 0.000 2.031 136 E HA -0.134 4.236 4.350 0.034 0.000 0.193 136 E C 2.212 178.808 176.600 -0.006 0.000 0.994 136 E CA 0.945 57.312 56.400 -0.055 0.000 0.800 136 E CB -0.360 29.345 29.700 0.009 0.000 0.752 136 E HN 0.601 nan 8.360 nan 0.000 0.447 137 G N 0.890 109.729 108.800 0.065 0.000 2.402 137 G HA2 -0.208 3.772 3.960 0.034 0.000 0.216 137 G HA3 -0.208 3.772 3.960 0.034 0.000 0.216 137 G C 1.555 176.505 174.900 0.083 0.000 1.162 137 G CA 0.351 45.527 45.100 0.127 0.000 0.777 137 G HN 0.075 nan 8.290 nan 0.000 0.539 138 L N 1.615 122.849 121.223 0.018 0.000 2.217 138 L HA -0.036 4.324 4.340 0.034 0.000 0.211 138 L C 3.234 180.100 176.870 -0.006 0.000 1.107 138 L CA 1.221 56.065 54.840 0.007 0.000 0.783 138 L CB -0.205 41.848 42.059 -0.010 0.000 0.919 138 L HN 0.398 nan 8.230 nan 0.000 0.442 139 S N -1.550 114.116 115.700 -0.055 0.000 2.371 139 S HA -0.194 4.296 4.470 0.034 0.000 0.224 139 S C 1.770 176.324 174.600 -0.077 0.000 1.029 139 S CA 0.887 59.031 58.200 -0.095 0.000 0.978 139 S CB -0.645 62.455 63.200 -0.168 0.000 0.833 139 S HN 0.471 nan 8.310 nan 0.000 0.466 140 H N 2.125 121.195 119.070 0.000 0.000 2.290 140 H HA 0.085 4.660 4.556 0.033 0.000 0.298 140 H C 2.631 177.965 175.328 0.011 0.000 1.087 140 H CA 1.530 57.580 56.048 0.004 0.000 1.291 140 H CB -0.433 29.329 29.762 -0.000 0.000 1.369 140 H HN 0.573 nan 8.280 nan 0.000 0.492 141 A N 0.947 123.853 122.820 0.143 0.000 1.902 141 A HA -0.142 4.199 4.320 0.034 0.000 0.217 141 A C 2.521 180.141 177.584 0.059 0.000 1.181 141 A CA 1.525 53.612 52.037 0.082 0.000 0.623 141 A CB -1.053 17.980 19.000 0.055 0.000 0.818 141 A HN 0.489 nan 8.150 nan 0.000 0.443 142 A N -0.410 122.436 122.820 0.043 0.000 1.933 142 A HA -0.176 4.165 4.320 0.034 0.000 0.218 142 A C 2.043 179.654 177.584 0.045 0.000 1.175 142 A CA 1.763 53.819 52.037 0.032 0.000 0.628 142 A CB -0.497 18.511 19.000 0.015 0.000 0.814 142 A HN 0.700 nan 8.150 nan 0.000 0.444 143 E N 0.051 120.283 120.200 0.054 0.000 2.051 143 E HA -0.136 4.234 4.350 0.034 0.000 0.192 143 E C 2.121 178.782 176.600 0.102 0.000 0.991 143 E CA 1.079 57.518 56.400 0.065 0.000 0.799 143 E CB -0.270 29.467 29.700 0.062 0.000 0.748 143 E HN 0.506 nan 8.360 nan 0.000 0.449 144 A N 0.766 123.653 122.820 0.112 0.000 1.972 144 A HA -0.148 4.192 4.320 0.034 0.000 0.219 144 A C 2.172 179.824 177.584 0.114 0.000 1.169 144 A CA 1.432 53.555 52.037 0.145 0.000 0.635 144 A CB -0.450 18.617 19.000 0.112 0.000 0.810 144 A HN 0.318 nan 8.150 nan 0.000 0.446 145 M N -1.510 118.133 119.600 0.072 0.000 2.175 145 M HA -0.115 4.385 4.480 0.034 0.000 0.264 145 M C 2.351 178.677 176.300 0.043 0.000 1.063 145 M CA 1.780 57.103 55.300 0.040 0.000 1.119 145 M CB -0.219 32.398 32.600 0.028 0.000 1.377 145 M HN 0.501 nan 8.290 nan 0.000 0.415 146 R N -0.215 120.326 120.500 0.070 0.000 2.081 146 R HA -0.217 4.143 4.340 0.034 0.000 0.235 146 R C 2.191 178.561 176.300 0.117 0.000 1.131 146 R CA 1.819 57.964 56.100 0.076 0.000 0.960 146 R CB -0.476 29.868 30.300 0.073 0.000 0.856 146 R HN 0.492 nan 8.270 nan 0.000 0.436 147 Y N 0.423 120.727 120.300 0.007 0.000 2.314 147 Y HA -0.120 4.450 4.550 0.034 0.000 0.293 147 Y C 1.874 177.776 175.900 0.003 0.000 1.129 147 Y CA 1.683 59.786 58.100 0.005 0.000 1.201 147 Y CB 0.038 38.502 38.460 0.007 0.000 0.999 147 Y HN 0.065 nan 8.280 nan 0.000 0.541 148 T N 0.731 115.184 114.554 -0.168 0.000 2.777 148 T HA -0.162 4.208 4.350 0.034 0.000 0.266 148 T C 2.061 176.682 174.700 -0.133 0.000 1.040 148 T CA 1.278 63.241 62.100 -0.229 0.000 1.141 148 T CB -0.584 68.211 68.868 -0.121 0.000 0.868 148 T HN 0.518 nan 8.240 nan 0.000 0.444 149 A N 1.340 124.126 122.820 -0.056 0.000 1.855 149 A HA 0.042 4.382 4.320 0.034 0.000 0.215 149 A C 2.319 179.888 177.584 -0.025 0.000 1.191 149 A CA 1.145 53.163 52.037 -0.031 0.000 0.613 149 A CB -0.979 18.018 19.000 -0.005 0.000 0.829 149 A HN 0.442 nan 8.150 nan 0.000 0.442 150 L N -0.563 120.661 121.223 0.002 0.000 2.043 150 L HA -0.276 4.084 4.340 0.034 0.000 0.212 150 L C 2.685 179.555 176.870 0.001 0.000 1.075 150 L CA 2.033 56.888 54.840 0.024 0.000 0.752 150 L CB -0.507 41.602 42.059 0.084 0.000 0.891 150 L HN 0.697 nan 8.230 nan 0.000 0.432 151 E N 0.285 120.454 120.200 -0.051 0.000 2.038 151 E HA -0.281 4.089 4.350 0.034 0.000 0.195 151 E C 2.171 178.739 176.600 -0.052 0.000 1.000 151 E CA 1.549 57.906 56.400 -0.072 0.000 0.803 151 E CB -0.084 29.503 29.700 -0.188 0.000 0.750 151 E HN 0.446 nan 8.360 nan 0.000 0.448 152 A N 0.775 123.559 122.820 -0.060 0.000 1.898 152 A HA -0.108 4.232 4.320 0.034 0.000 0.216 152 A C 2.168 179.735 177.584 -0.029 0.000 1.181 152 A CA 1.424 53.435 52.037 -0.044 0.000 0.620 152 A CB -0.601 18.372 19.000 -0.045 0.000 0.819 152 A HN 0.390 nan 8.150 nan 0.000 0.442 153 I N -0.686 119.870 120.570 -0.024 0.000 3.001 153 I HA -0.048 4.142 4.170 0.034 0.000 0.268 153 I C 0.506 176.612 176.117 -0.018 0.000 1.267 153 I CA 0.424 61.713 61.300 -0.019 0.000 1.472 153 I CB -0.171 37.821 38.000 -0.014 0.000 1.089 153 I HN 0.247 nan 8.210 nan 0.000 0.468 154 M N 0.863 120.455 119.600 -0.014 0.000 2.311 154 M HA 0.510 5.010 4.480 0.034 0.000 0.325 154 M C -0.540 175.755 176.300 -0.008 0.000 1.061 154 M CA -0.137 55.158 55.300 -0.008 0.000 0.957 154 M CB 2.421 35.025 32.600 0.005 0.000 1.646 154 M HN 0.037 nan 8.290 nan 0.000 0.434 155 R N 1.562 122.056 120.500 -0.010 0.000 2.710 155 R HA 0.528 4.889 4.340 0.034 0.000 0.270 155 R C -2.619 173.676 176.300 -0.008 0.000 1.021 155 R CA -1.527 54.568 56.100 -0.008 0.000 0.889 155 R CB 1.777 32.070 30.300 -0.012 0.000 1.243 155 R HN 0.380 nan 8.270 nan 0.000 0.464 156 P HA -0.034 nan 4.420 nan 0.000 0.261 156 P C 0.369 177.664 177.300 -0.009 0.000 1.165 156 P CA 1.344 64.440 63.100 -0.005 0.000 0.759 156 P CB 0.334 32.031 31.700 -0.004 0.000 0.772 157 G N 1.893 110.688 108.800 -0.009 0.000 2.179 157 G HA2 -0.164 3.816 3.960 0.034 0.000 0.257 157 G HA3 -0.164 3.816 3.960 0.034 0.000 0.257 157 G C 0.423 175.313 174.900 -0.017 0.000 1.010 157 G CA 0.014 45.107 45.100 -0.012 0.000 0.736 157 G HN 0.894 nan 8.290 nan 0.000 0.513 158 A N 0.667 123.475 122.820 -0.020 0.000 2.362 158 A HA 0.722 5.062 4.320 0.034 0.000 0.276 158 A C 1.098 178.662 177.584 -0.032 0.000 1.153 158 A CA 0.842 52.861 52.037 -0.030 0.000 0.813 158 A CB 0.234 19.215 19.000 -0.032 0.000 1.081 158 A HN 1.704 nan 8.150 nan 0.000 0.507 159 T N 0.480 115.009 114.554 -0.042 0.000 2.734 159 T HA 0.125 4.495 4.350 0.034 0.000 0.314 159 T C 0.856 175.527 174.700 -0.048 0.000 1.057 159 T CA 0.407 62.482 62.100 -0.042 0.000 1.047 159 T CB 0.428 69.266 68.868 -0.050 0.000 0.991 159 T HN 0.682 nan 8.240 nan 0.000 0.540 160 E N -0.332 119.847 120.200 -0.036 0.000 2.110 160 E HA -0.100 4.270 4.350 0.034 0.000 0.193 160 E C 1.880 178.442 176.600 -0.063 0.000 0.988 160 E CA 0.707 57.089 56.400 -0.030 0.000 0.804 160 E CB -0.196 29.500 29.700 -0.006 0.000 0.745 160 E HN 0.554 nan 8.360 nan 0.000 0.458 161 L N 1.476 122.642 121.223 -0.096 0.000 2.093 161 L HA -0.156 4.204 4.340 0.034 0.000 0.208 161 L C 1.410 178.116 176.870 -0.273 0.000 1.085 161 L CA 1.829 56.547 54.840 -0.205 0.000 0.755 161 L CB -0.281 41.656 42.059 -0.203 0.000 0.904 161 L HN -0.063 nan 8.230 nan 0.000 0.435 162 D N -0.136 120.158 120.400 -0.177 0.000 2.104 162 D HA -0.190 4.470 4.640 0.034 0.000 0.194 162 D C 2.243 178.461 176.300 -0.137 0.000 0.994 162 D CA 2.023 55.930 54.000 -0.155 0.000 0.830 162 D CB -0.189 40.553 40.800 -0.097 0.000 0.959 162 D HN 0.446 nan 8.370 nan 0.000 0.452 163 I N 0.820 121.332 120.570 -0.098 0.000 2.286 163 I HA -0.231 3.959 4.170 0.034 0.000 0.248 163 I C 2.402 178.477 176.117 -0.070 0.000 1.115 163 I CA 1.002 62.264 61.300 -0.064 0.000 1.392 163 I CB -0.222 37.758 38.000 -0.033 0.000 1.065 163 I HN -0.074 nan 8.210 nan 0.000 0.418 164 A N 1.169 123.921 122.820 -0.114 0.000 1.873 164 A HA -0.184 4.156 4.320 0.034 0.000 0.215 164 A C 2.335 179.826 177.584 -0.155 0.000 1.186 164 A CA 1.529 53.511 52.037 -0.092 0.000 0.616 164 A CB -0.408 18.535 19.000 -0.096 0.000 0.823 164 A HN 0.325 nan 8.150 nan 0.000 0.442 165 K N -0.647 119.524 120.400 -0.382 0.000 2.097 165 K HA -0.053 4.287 4.320 0.034 0.000 0.205 165 K C 2.035 178.584 176.600 -0.085 0.000 1.050 165 K CA 1.040 57.150 56.287 -0.295 0.000 0.938 165 K CB -0.341 31.919 32.500 -0.401 0.000 0.718 165 K HN 0.453 nan 8.250 nan 0.000 0.442 166 G N 1.157 109.905 108.800 -0.087 0.000 2.403 166 G HA2 -0.230 3.751 3.960 0.034 0.000 0.216 166 G HA3 -0.230 3.751 3.960 0.034 0.000 0.216 166 G C 1.596 176.488 174.900 -0.013 0.000 1.154 166 G CA 0.904 45.979 45.100 -0.042 0.000 0.784 166 G HN 0.394 nan 8.290 nan 0.000 0.538 167 S N -0.178 115.517 115.700 -0.008 0.000 2.428 167 S HA -0.089 4.401 4.470 0.034 0.000 0.230 167 S C 2.149 176.765 174.600 0.027 0.000 1.014 167 S CA 1.420 59.625 58.200 0.009 0.000 0.957 167 S CB -0.204 63.004 63.200 0.013 0.000 0.784 167 S HN 0.474 nan 8.310 nan 0.000 0.499 168 Q N 0.962 120.799 119.800 0.062 0.000 2.172 168 Q HA 0.071 4.431 4.340 0.034 0.000 0.200 168 Q C 2.200 178.242 176.000 0.069 0.000 0.964 168 Q CA 1.173 57.032 55.803 0.094 0.000 0.855 168 Q CB -0.430 28.444 28.738 0.226 0.000 0.918 168 Q HN 0.746 nan 8.270 nan 0.000 0.444 169 A N 0.278 123.129 122.820 0.053 0.000 1.898 169 A HA -0.099 4.241 4.320 0.034 0.000 0.214 169 A C 1.877 179.474 177.584 0.022 0.000 1.183 169 A CA 0.856 52.916 52.037 0.039 0.000 0.622 169 A CB -0.487 18.529 19.000 0.026 0.000 0.824 169 A HN 0.441 nan 8.150 nan 0.000 0.444 170 L N -0.217 121.013 121.223 0.012 0.000 2.044 170 L HA -0.039 4.321 4.340 0.034 0.000 0.205 170 L C 2.350 179.221 176.870 0.003 0.000 1.075 170 L CA 1.690 56.532 54.840 0.003 0.000 0.747 170 L CB -0.399 41.657 42.059 -0.004 0.000 0.903 170 L HN 0.130 nan 8.230 nan 0.000 0.435 171 V N -1.056 118.859 119.914 0.002 0.000 2.407 171 V HA -0.264 3.876 4.120 0.034 0.000 0.248 171 V C 2.758 178.851 176.094 -0.002 0.000 1.055 171 V CA 1.754 64.051 62.300 -0.004 0.000 1.049 171 V CB -0.672 31.142 31.823 -0.015 0.000 0.662 171 V HN 0.616 nan 8.190 nan 0.000 0.455 172 S N -0.787 114.918 115.700 0.008 0.000 2.400 172 S HA -0.275 4.215 4.470 0.034 0.000 0.232 172 S C 2.000 176.610 174.600 0.016 0.000 1.025 172 S CA 1.908 60.118 58.200 0.017 0.000 0.993 172 S CB -0.147 63.075 63.200 0.035 0.000 0.808 172 S HN 0.735 nan 8.310 nan 0.000 0.478 173 Q N -0.287 119.520 119.800 0.013 0.000 2.212 173 Q HA 0.170 4.530 4.340 0.034 0.000 0.199 173 Q C 2.054 178.058 176.000 0.007 0.000 0.950 173 Q CA 1.174 56.983 55.803 0.010 0.000 0.863 173 Q CB -0.053 28.689 28.738 0.008 0.000 0.944 173 Q HN 0.580 nan 8.270 nan 0.000 0.465 174 I N -0.420 120.152 120.570 0.004 0.000 2.480 174 I HA -0.179 4.011 4.170 0.034 0.000 0.251 174 I C 2.085 178.205 176.117 0.005 0.000 1.124 174 I CA 0.373 61.674 61.300 0.002 0.000 1.444 174 I CB -0.104 37.895 38.000 -0.002 0.000 1.098 174 I HN -0.003 nan 8.210 nan 0.000 0.428 175 V N 2.093 122.010 119.914 0.005 0.000 2.250 175 V HA -0.216 3.924 4.120 0.034 0.000 0.250 175 V C -0.249 175.851 176.094 0.011 0.000 1.060 175 V CA 2.361 64.665 62.300 0.006 0.000 1.030 175 V CB -1.846 29.980 31.823 0.004 0.000 0.643 175 V HN 0.331 nan 8.190 nan 0.000 0.445 176 P HA -0.105 nan 4.420 nan 0.000 0.221 176 P C 1.523 178.832 177.300 0.015 0.000 1.145 176 P CA 1.333 64.442 63.100 0.015 0.000 0.795 176 P CB -0.042 31.667 31.700 0.014 0.000 0.775 177 L N -2.585 118.646 121.223 0.013 0.000 2.408 177 L HA 0.070 4.430 4.340 0.034 0.000 0.215 177 L C 2.297 179.177 176.870 0.016 0.000 1.081 177 L CA 0.296 55.144 54.840 0.014 0.000 0.840 177 L CB -0.625 41.440 42.059 0.010 0.000 1.002 177 L HN -0.095 nan 8.230 nan 0.000 0.468 178 L N 0.058 121.290 121.223 0.015 0.000 2.017 178 L HA -0.125 4.235 4.340 0.034 0.000 0.208 178 L C 2.635 179.518 176.870 0.022 0.000 1.073 178 L CA 1.578 56.427 54.840 0.016 0.000 0.745 178 L CB -0.968 41.098 42.059 0.011 0.000 0.894 178 L HN 0.339 nan 8.230 nan 0.000 0.432 179 G N 0.397 109.211 108.800 0.024 0.000 2.545 179 G HA2 -0.240 3.740 3.960 0.034 0.000 0.217 179 G HA3 -0.240 3.740 3.960 0.034 0.000 0.217 179 G C -0.729 174.197 174.900 0.043 0.000 1.218 179 G CA 0.920 46.039 45.100 0.031 0.000 0.787 179 G HN 0.299 nan 8.290 nan 0.000 0.571 180 P HA -0.132 nan 4.420 nan 0.000 0.216 180 P C 1.965 179.299 177.300 0.056 0.000 1.150 180 P CA 1.340 64.471 63.100 0.050 0.000 0.843 180 P CB -0.088 31.633 31.700 0.035 0.000 0.787 181 M N -1.253 118.372 119.600 0.041 0.000 2.086 181 M HA -0.103 4.397 4.480 0.034 0.000 0.261 181 M C 1.861 178.188 176.300 0.044 0.000 1.067 181 M CA 1.669 56.992 55.300 0.038 0.000 1.116 181 M CB -1.220 31.395 32.600 0.025 0.000 1.348 181 M HN -0.194 nan 8.290 nan 0.000 0.407 182 I N -0.143 120.450 120.570 0.038 0.000 2.394 182 I HA -0.241 3.949 4.170 0.034 0.000 0.251 182 I C 2.282 178.426 176.117 0.046 0.000 1.136 182 I CA 1.567 62.885 61.300 0.031 0.000 1.425 182 I CB -0.614 37.397 38.000 0.019 0.000 1.079 182 I HN 0.533 nan 8.210 nan 0.000 0.425 183 Q N 0.070 119.919 119.800 0.081 0.000 2.046 183 Q HA -0.237 4.123 4.340 0.034 0.000 0.200 183 Q C 1.722 177.876 176.000 0.256 0.000 0.975 183 Q CA 2.160 58.056 55.803 0.155 0.000 0.836 183 Q CB -0.043 28.801 28.738 0.176 0.000 0.896 183 Q HN 0.452 nan 8.270 nan 0.000 0.428 184 D N -0.258 120.257 120.400 0.191 0.000 2.144 184 D HA -0.137 4.523 4.640 0.034 0.000 0.199 184 D C 1.718 178.111 176.300 0.155 0.000 0.984 184 D CA 1.123 55.237 54.000 0.190 0.000 0.834 184 D CB -0.014 40.846 40.800 0.100 0.000 0.955 184 D HN 0.325 nan 8.370 nan 0.000 0.465 185 M N -0.331 119.323 119.600 0.090 0.000 2.296 185 M HA -0.069 4.431 4.480 0.034 0.000 0.265 185 M C 1.860 178.172 176.300 0.020 0.000 1.064 185 M CA 0.504 55.833 55.300 0.047 0.000 1.109 185 M CB 0.003 32.616 32.600 0.022 0.000 1.396 185 M HN 0.091 nan 8.290 nan 0.000 0.430 186 L N -0.024 121.193 121.223 -0.010 0.000 2.005 186 L HA -0.085 4.275 4.340 0.034 0.000 0.207 186 L C 1.848 178.614 176.870 -0.173 0.000 1.072 186 L CA 2.005 56.760 54.840 -0.141 0.000 0.744 186 L CB -0.705 41.189 42.059 -0.274 0.000 0.895 186 L HN 0.100 nan 8.230 nan 0.000 0.433 187 F N -1.174 118.790 119.950 0.023 0.000 2.293 187 F HA -0.179 4.355 4.527 0.013 0.000 0.300 187 F C 2.457 178.275 175.800 0.031 0.000 1.086 187 F CA 1.381 59.398 58.000 0.028 0.000 1.375 187 F CB -0.444 38.572 39.000 0.026 0.000 1.045 187 F HN 0.142 nan 8.300 nan 0.000 0.516 188 M N -0.130 119.576 119.600 0.177 0.000 2.080 188 M HA -0.246 4.254 4.480 0.034 0.000 0.260 188 M C 2.206 178.558 176.300 0.086 0.000 1.068 188 M CA 1.725 57.091 55.300 0.111 0.000 1.109 188 M CB -0.096 32.546 32.600 0.070 0.000 1.342 188 M HN -0.004 nan 8.290 nan 0.000 0.405 189 Q N -0.154 119.672 119.800 0.044 0.000 2.187 189 Q HA -0.019 4.341 4.340 0.034 0.000 0.199 189 Q C 2.144 178.189 176.000 0.076 0.000 0.957 189 Q CA 1.177 56.999 55.803 0.031 0.000 0.857 189 Q CB -0.309 28.416 28.738 -0.021 0.000 0.929 189 Q HN 0.561 nan 8.270 nan 0.000 0.453 190 L N 0.192 121.444 121.223 0.048 0.000 2.093 190 L HA -0.122 4.238 4.340 0.034 0.000 0.208 190 L C 2.534 179.465 176.870 0.102 0.000 1.085 190 L CA 0.993 55.864 54.840 0.052 0.000 0.755 190 L CB -0.274 41.789 42.059 0.006 0.000 0.904 190 L HN 0.142 nan 8.230 nan 0.000 0.435 191 R N -1.139 119.443 120.500 0.135 0.000 2.152 191 R HA -0.208 4.152 4.340 0.034 0.000 0.232 191 R C 2.177 178.539 176.300 0.103 0.000 1.117 191 R CA 1.315 57.486 56.100 0.118 0.000 0.981 191 R CB -0.407 29.966 30.300 0.122 0.000 0.870 191 R HN 0.405 nan 8.270 nan 0.000 0.451 192 H N 0.363 119.452 119.070 0.032 0.000 2.363 192 H HA 0.028 4.603 4.556 0.033 0.000 0.301 192 H C 2.021 177.358 175.328 0.015 0.000 1.074 192 H CA 1.585 57.645 56.048 0.020 0.000 1.354 192 H CB 0.086 29.857 29.762 0.015 0.000 1.397 192 H HN -0.010 nan 8.280 nan 0.000 0.516 193 M N -0.499 119.152 119.600 0.085 0.000 2.108 193 M HA -0.205 4.295 4.480 0.034 0.000 0.261 193 M C 2.133 178.417 176.300 -0.027 0.000 1.066 193 M CA 1.762 57.077 55.300 0.024 0.000 1.107 193 M CB -0.105 32.521 32.600 0.044 0.000 1.356 193 M HN 0.358 nan 8.290 nan 0.000 0.406 194 M N -0.022 119.573 119.600 -0.009 0.000 2.460 194 M HA -0.081 4.420 4.480 0.034 0.000 0.263 194 M C 0.633 176.911 176.300 -0.038 0.000 1.071 194 M CA 0.857 56.151 55.300 -0.010 0.000 1.096 194 M CB -0.593 32.018 32.600 0.017 0.000 1.408 194 M HN 0.279 nan 8.290 nan 0.000 0.463 195 E N 0.000 120.149 120.200 -0.084 0.000 2.725 195 E HA 0.000 4.370 4.350 0.034 0.000 0.291 195 E CA 0.000 56.339 56.400 -0.103 0.000 0.976 195 E CB 0.000 29.646 29.700 -0.090 0.000 0.812 195 E HN 0.000 nan 8.360 nan 0.000 0.440