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 2og5_1_A DATA FIRST_RESID 10 DATA SEQUENCE SRYDVTLDQS DAELVEEIAW KLATQATGRP DDAEWVEAAR NAWHAWPATL DATA SEQUENCE RRDLAGFRRD SGPDGAIVLR GLPVDSMGLP PTPRVNGSVQ REASLGAAVL DATA SEQUENCE LMTACGLGDP GAFLPEKNGA LVQDVVPVPG MEEFQGNAGS TLLTFHNENA DATA SEQUENCE FHEHRPDFVM LLCLRADPTG RAGLRTACVR RVLPLLSDST VDALWAPEFR DATA SEQUENCE TAPPPSFQXX XXXXAPAPVL LGDRSDPDLR VDLAATEPVT ERAAEALREL DATA SEQUENCE QAHFDATAVT HRLLPGELAI VDNRVTVHGR TEFTPRYDGT DRWLQRTFVL DATA SEQUENCE TDLRRSRAMR PADGYVLGAA P 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.549 174.600 -0.085 0.000 1.055 10 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 10 S CB 0.000 63.237 63.200 0.061 0.000 0.593 11 R N 2.404 122.773 120.500 -0.219 0.000 2.328 11 R HA 0.089 4.429 4.340 0.001 0.000 0.200 11 R C -0.285 175.678 176.300 -0.561 0.000 0.983 11 R CA 0.822 56.699 56.100 -0.371 0.000 1.062 11 R CB -0.485 29.564 30.300 -0.417 0.000 0.956 11 R HN 0.642 nan 8.270 nan 0.000 0.479 12 Y N -0.026 120.285 120.300 0.018 0.000 2.555 12 Y HA 0.306 4.856 4.550 0.001 0.000 0.259 12 Y C -0.226 175.641 175.900 -0.054 0.000 1.179 12 Y CA -1.007 57.090 58.100 -0.004 0.000 1.230 12 Y CB 0.649 39.135 38.460 0.044 0.000 1.146 12 Y HN 0.068 nan 8.280 nan 0.000 0.526 13 D N 0.728 121.139 120.400 0.019 0.000 2.336 13 D HA 0.324 4.964 4.640 0.001 0.000 0.248 13 D C -1.562 174.715 176.300 -0.038 0.000 1.326 13 D CA -0.132 53.857 54.000 -0.019 0.000 0.973 13 D CB 1.309 42.095 40.800 -0.022 0.000 1.255 13 D HN -0.176 nan 8.370 nan 0.000 0.558 14 V N 3.199 123.089 119.914 -0.041 0.000 2.357 14 V HA 0.449 4.569 4.120 0.001 0.000 0.284 14 V C 0.471 176.550 176.094 -0.025 0.000 1.018 14 V CA -0.508 61.771 62.300 -0.035 0.000 0.841 14 V CB 1.718 33.522 31.823 -0.032 0.000 0.991 14 V HN 0.469 nan 8.190 nan 0.000 0.437 15 T N 6.428 120.968 114.554 -0.024 0.000 2.749 15 T HA 0.521 4.872 4.350 0.001 0.000 0.287 15 T C -0.112 174.574 174.700 -0.023 0.000 0.970 15 T CA -0.378 61.709 62.100 -0.021 0.000 0.980 15 T CB 0.875 69.731 68.868 -0.020 0.000 0.924 15 T HN 0.261 nan 8.240 nan 0.000 0.456 16 L N 4.987 126.194 121.223 -0.027 0.000 2.490 16 L HA 0.184 4.524 4.340 0.001 0.000 0.274 16 L C 0.947 177.793 176.870 -0.040 0.000 1.201 16 L CA -0.105 54.712 54.840 -0.039 0.000 0.869 16 L CB 0.010 42.032 42.059 -0.061 0.000 1.123 16 L HN 0.679 nan 8.230 nan 0.000 0.484 17 D N 1.388 121.764 120.400 -0.041 0.000 2.377 17 D HA 0.033 4.674 4.640 0.001 0.000 0.245 17 D C 0.729 177.001 176.300 -0.047 0.000 1.196 17 D CA -0.502 53.475 54.000 -0.038 0.000 0.962 17 D CB 0.484 41.264 40.800 -0.034 0.000 1.127 17 D HN 0.473 nan 8.370 nan 0.000 0.471 18 Q N 0.482 120.257 119.800 -0.041 0.000 2.096 18 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 18 Q C 1.965 177.933 176.000 -0.053 0.000 0.982 18 Q CA 2.331 58.108 55.803 -0.043 0.000 0.850 18 Q CB -0.673 28.045 28.738 -0.033 0.000 0.901 18 Q HN 0.525 nan 8.270 nan 0.000 0.422 19 S N -0.345 115.324 115.700 -0.051 0.000 2.353 19 S HA -0.179 4.291 4.470 0.001 0.000 0.222 19 S C 1.391 175.943 174.600 -0.080 0.000 1.035 19 S CA 1.651 59.816 58.200 -0.058 0.000 1.025 19 S CB -0.537 62.634 63.200 -0.049 0.000 0.902 19 S HN 0.522 nan 8.310 nan 0.000 0.440 20 D N 1.287 121.635 120.400 -0.087 0.000 2.144 20 D HA 0.047 4.687 4.640 0.001 0.000 0.200 20 D C 2.246 178.444 176.300 -0.170 0.000 0.978 20 D CA 1.274 55.200 54.000 -0.124 0.000 0.833 20 D CB -0.713 40.026 40.800 -0.101 0.000 0.961 20 D HN 0.498 nan 8.370 nan 0.000 0.470 21 A N 0.988 123.729 122.820 -0.132 0.000 1.902 21 A HA -0.209 4.111 4.320 0.001 0.000 0.217 21 A C 2.063 179.567 177.584 -0.133 0.000 1.181 21 A CA 1.482 53.436 52.037 -0.139 0.000 0.623 21 A CB -0.511 18.435 19.000 -0.089 0.000 0.818 21 A HN 0.206 nan 8.150 nan 0.000 0.443 22 E N -0.846 119.294 120.200 -0.100 0.000 2.106 22 E HA -0.164 4.187 4.350 0.001 0.000 0.192 22 E C 1.936 178.476 176.600 -0.100 0.000 0.984 22 E CA 1.118 57.472 56.400 -0.077 0.000 0.806 22 E CB -0.222 29.443 29.700 -0.058 0.000 0.750 22 E HN 0.503 nan 8.360 nan 0.000 0.458 23 L N 0.670 121.810 121.223 -0.139 0.000 2.027 23 L HA -0.133 4.208 4.340 0.001 0.000 0.206 23 L C 2.180 178.897 176.870 -0.255 0.000 1.074 23 L CA 1.418 56.159 54.840 -0.165 0.000 0.745 23 L CB -0.404 41.555 42.059 -0.167 0.000 0.898 23 L HN -0.064 nan 8.230 nan 0.000 0.433 24 V N -0.008 119.669 119.914 -0.396 0.000 2.407 24 V HA -0.290 3.830 4.120 0.001 0.000 0.248 24 V C 2.605 178.488 176.094 -0.352 0.000 1.055 24 V CA 1.915 63.840 62.300 -0.625 0.000 1.049 24 V CB -0.725 30.544 31.823 -0.922 0.000 0.662 24 V HN 0.615 nan 8.190 nan 0.000 0.455 25 E N 0.250 120.332 120.200 -0.197 0.000 2.058 25 E HA -0.305 4.045 4.350 0.001 0.000 0.194 25 E C 2.282 178.937 176.600 0.092 0.000 0.997 25 E CA 1.764 58.143 56.400 -0.034 0.000 0.801 25 E CB -0.126 29.605 29.700 0.050 0.000 0.746 25 E HN 0.732 nan 8.360 nan 0.000 0.450 26 E N 0.258 120.479 120.200 0.034 0.000 2.058 26 E HA -0.208 4.143 4.350 0.001 0.000 0.194 26 E C 2.193 178.822 176.600 0.048 0.000 0.997 26 E CA 1.415 57.852 56.400 0.062 0.000 0.801 26 E CB -0.123 29.574 29.700 -0.005 0.000 0.746 26 E HN 0.362 nan 8.360 nan 0.000 0.450 27 I N 0.907 121.451 120.570 -0.044 0.000 2.179 27 I HA -0.252 3.918 4.170 0.001 0.000 0.242 27 I C 2.601 178.712 176.117 -0.010 0.000 1.088 27 I CA 1.070 62.347 61.300 -0.038 0.000 1.357 27 I CB -0.322 37.619 38.000 -0.099 0.000 1.051 27 I HN 0.182 nan 8.210 nan 0.000 0.409 28 A N 0.012 122.797 122.820 -0.058 0.000 1.902 28 A HA -0.228 4.093 4.320 0.001 0.000 0.217 28 A C 2.055 179.581 177.584 -0.098 0.000 1.181 28 A CA 1.341 53.323 52.037 -0.093 0.000 0.623 28 A CB -1.134 17.747 19.000 -0.197 0.000 0.818 28 A HN 0.543 nan 8.150 nan 0.000 0.443 29 W N -0.002 121.287 121.300 -0.018 0.000 2.358 29 W HA -0.103 4.557 4.660 0.000 0.000 0.303 29 W C 2.430 178.947 176.519 -0.003 0.000 1.208 29 W CA 1.594 58.936 57.345 -0.004 0.000 1.274 29 W CB 0.062 29.510 29.460 -0.019 0.000 1.138 29 W HN 0.299 nan 8.180 nan 0.000 0.515 30 K N 0.277 120.803 120.400 0.209 0.000 2.026 30 K HA -0.237 4.083 4.320 0.001 0.000 0.208 30 K C 2.016 178.642 176.600 0.044 0.000 1.048 30 K CA 1.588 57.939 56.287 0.107 0.000 0.929 30 K CB -0.542 31.991 32.500 0.054 0.000 0.713 30 K HN 0.056 nan 8.250 nan 0.000 0.439 31 L N 1.024 122.237 121.223 -0.017 0.000 2.017 31 L HA -0.098 4.242 4.340 0.001 0.000 0.208 31 L C 2.227 179.050 176.870 -0.078 0.000 1.073 31 L CA 2.201 56.946 54.840 -0.158 0.000 0.745 31 L CB -0.835 41.078 42.059 -0.243 0.000 0.894 31 L HN 0.235 nan 8.230 nan 0.000 0.432 32 A N -1.501 121.366 122.820 0.079 0.000 1.933 32 A HA -0.202 4.118 4.320 0.001 0.000 0.218 32 A C 2.275 180.020 177.584 0.268 0.000 1.175 32 A CA 2.377 54.562 52.037 0.246 0.000 0.628 32 A CB -1.129 17.918 19.000 0.077 0.000 0.814 32 A HN 0.641 nan 8.150 nan 0.000 0.444 33 T N -4.152 110.540 114.554 0.231 0.000 3.040 33 T HA 0.112 4.462 4.350 0.001 0.000 0.252 33 T C 1.671 176.457 174.700 0.143 0.000 1.064 33 T CA 0.846 63.074 62.100 0.212 0.000 1.110 33 T CB 0.024 69.030 68.868 0.230 0.000 0.921 33 T HN 0.535 nan 8.240 nan 0.000 0.480 34 Q N 0.702 120.562 119.800 0.099 0.000 2.402 34 Q HA 0.497 4.837 4.340 0.001 0.000 0.231 34 Q C 1.005 177.025 176.000 0.032 0.000 0.888 34 Q CA 0.042 55.879 55.803 0.057 0.000 0.938 34 Q CB 0.455 29.212 28.738 0.032 0.000 1.086 34 Q HN 0.595 nan 8.270 nan 0.000 0.543 35 A N 2.219 125.028 122.820 -0.017 0.000 2.477 35 A HA 0.229 4.549 4.320 0.001 0.000 0.246 35 A C 0.541 178.171 177.584 0.077 0.000 1.078 35 A CA -0.093 51.888 52.037 -0.093 0.000 0.770 35 A CB 0.048 18.765 19.000 -0.472 0.000 1.011 35 A HN 0.270 nan 8.150 nan 0.000 0.494 36 T N 0.678 115.278 114.554 0.078 0.000 2.899 36 T HA 0.579 4.929 4.350 0.001 0.000 0.295 36 T C 0.860 175.717 174.700 0.260 0.000 1.033 36 T CA 0.386 62.571 62.100 0.142 0.000 1.084 36 T CB 0.834 69.756 68.868 0.090 0.000 0.979 36 T HN 2.608 nan 8.240 nan 0.000 0.532 37 G N 2.099 111.037 108.800 0.230 0.000 2.584 37 G HA2 -0.084 3.877 3.960 0.001 0.000 0.229 37 G HA3 -0.084 3.877 3.960 0.001 0.000 0.229 37 G C -0.682 174.347 174.900 0.215 0.000 1.320 37 G CA -0.428 44.804 45.100 0.219 0.000 0.891 37 G HN 0.985 nan 8.290 nan 0.000 0.573 38 R N -0.242 120.254 120.500 -0.007 0.000 2.836 38 R HA 0.478 4.818 4.340 0.001 0.000 0.269 38 R C -2.007 173.863 176.300 -0.717 0.000 1.010 38 R CA -1.464 54.370 56.100 -0.444 0.000 0.930 38 R CB 2.011 32.162 30.300 -0.249 0.000 1.218 38 R HN 0.285 nan 8.270 nan 0.000 0.473 39 P HA -0.222 nan 4.420 nan 0.000 0.218 39 P C 0.149 177.265 177.300 -0.307 0.000 1.152 39 P CA 1.468 63.993 63.100 -0.958 0.000 0.857 39 P CB 0.205 31.383 31.700 -0.870 0.000 0.787 40 D N -1.306 118.961 120.400 -0.220 0.000 2.363 40 D HA -0.029 4.612 4.640 0.001 0.000 0.220 40 D C -0.007 176.295 176.300 0.004 0.000 0.994 40 D CA 0.755 54.703 54.000 -0.087 0.000 0.890 40 D CB -0.218 40.542 40.800 -0.065 0.000 0.906 40 D HN 0.253 nan 8.370 nan 0.000 0.530 41 D N 0.263 120.677 120.400 0.023 0.000 2.350 41 D HA 0.187 4.828 4.640 0.001 0.000 0.249 41 D C 1.199 177.602 176.300 0.170 0.000 1.119 41 D CA -0.164 53.898 54.000 0.103 0.000 0.886 41 D CB 1.551 42.420 40.800 0.115 0.000 1.195 41 D HN -0.106 nan 8.370 nan 0.000 0.437 42 A N 2.972 125.912 122.820 0.200 0.000 1.948 42 A HA -0.253 4.067 4.320 0.001 0.000 0.220 42 A C 1.810 179.518 177.584 0.206 0.000 1.177 42 A CA 1.816 54.016 52.037 0.271 0.000 0.636 42 A CB -0.615 18.528 19.000 0.239 0.000 0.815 42 A HN 0.770 nan 8.150 nan 0.000 0.449 43 E N -2.349 117.955 120.200 0.172 0.000 2.204 43 E HA -0.238 4.113 4.350 0.001 0.000 0.194 43 E C 1.861 178.555 176.600 0.157 0.000 0.989 43 E CA 1.060 57.544 56.400 0.141 0.000 0.824 43 E CB -0.401 29.370 29.700 0.119 0.000 0.756 43 E HN 0.800 nan 8.360 nan 0.000 0.477 44 W N 1.339 122.650 121.300 0.018 0.000 2.443 44 W HA -0.025 4.635 4.660 0.001 0.000 0.296 44 W C 2.161 178.664 176.519 -0.026 0.000 1.202 44 W CA 1.071 58.415 57.345 -0.001 0.000 1.312 44 W CB 0.070 29.523 29.460 -0.012 0.000 1.120 44 W HN -0.132 nan 8.180 nan 0.000 0.536 45 V N 0.382 120.441 119.914 0.242 0.000 2.407 45 V HA -0.336 3.784 4.120 0.001 0.000 0.248 45 V C 2.080 178.190 176.094 0.027 0.000 1.055 45 V CA 2.354 64.684 62.300 0.049 0.000 1.049 45 V CB -0.994 30.675 31.823 -0.257 0.000 0.662 45 V HN 0.264 nan 8.190 nan 0.000 0.455 46 E N 0.399 120.641 120.200 0.070 0.000 2.077 46 E HA -0.243 4.107 4.350 0.001 0.000 0.193 46 E C 2.253 178.852 176.600 -0.001 0.000 0.989 46 E CA 1.417 57.851 56.400 0.056 0.000 0.800 46 E CB -0.240 29.504 29.700 0.073 0.000 0.746 46 E HN 0.567 nan 8.360 nan 0.000 0.452 47 A N 1.124 123.900 122.820 -0.074 0.000 1.933 47 A HA -0.124 4.196 4.320 0.001 0.000 0.218 47 A C 2.376 179.856 177.584 -0.174 0.000 1.175 47 A CA 1.840 53.779 52.037 -0.163 0.000 0.628 47 A CB -0.740 18.064 19.000 -0.328 0.000 0.814 47 A HN 0.426 nan 8.150 nan 0.000 0.444 48 A N -0.370 122.329 122.820 -0.201 0.000 1.902 48 A HA -0.151 4.169 4.320 0.001 0.000 0.217 48 A C 2.242 179.826 177.584 0.001 0.000 1.181 48 A CA 1.695 53.659 52.037 -0.122 0.000 0.623 48 A CB -0.499 18.462 19.000 -0.065 0.000 0.818 48 A HN 0.560 nan 8.150 nan 0.000 0.443 49 R N 0.004 120.514 120.500 0.016 0.000 2.083 49 R HA -0.179 4.161 4.340 0.001 0.000 0.237 49 R C 1.938 178.355 176.300 0.195 0.000 1.137 49 R CA 2.038 58.188 56.100 0.083 0.000 0.951 49 R CB -0.456 29.898 30.300 0.090 0.000 0.851 49 R HN 0.721 nan 8.270 nan 0.000 0.434 50 N N -0.313 118.470 118.700 0.139 0.000 2.120 50 N HA -0.148 4.593 4.740 0.001 0.000 0.188 50 N C 1.706 177.307 175.510 0.152 0.000 1.024 50 N CA 1.142 54.286 53.050 0.156 0.000 0.852 50 N CB -0.118 38.411 38.487 0.070 0.000 1.003 50 N HN 0.294 nan 8.380 nan 0.000 0.424 51 A N 1.065 123.945 122.820 0.100 0.000 1.969 51 A HA -0.162 4.158 4.320 0.001 0.000 0.218 51 A C 1.833 179.539 177.584 0.203 0.000 1.169 51 A CA 0.671 52.779 52.037 0.119 0.000 0.635 51 A CB -0.957 18.084 19.000 0.069 0.000 0.810 51 A HN 0.631 nan 8.150 nan 0.000 0.445 52 W N 0.650 121.907 121.300 -0.072 0.000 2.321 52 W HA -0.235 4.425 4.660 0.000 0.000 0.306 52 W C 1.529 177.870 176.519 -0.297 0.000 1.217 52 W CA 2.041 59.158 57.345 -0.380 0.000 1.257 52 W CB -0.513 28.593 29.460 -0.590 0.000 1.145 52 W HN 0.542 nan 8.180 nan 0.000 0.509 53 H N 0.245 119.267 119.070 -0.079 0.000 2.559 53 H HA 0.041 4.597 4.556 0.001 0.000 0.273 53 H C 2.175 177.438 175.328 -0.107 0.000 1.000 53 H CA 1.248 57.209 56.048 -0.145 0.000 1.195 53 H CB -0.420 29.349 29.762 0.011 0.000 1.368 53 H HN 0.234 nan 8.280 nan 0.000 0.592 54 A N 0.133 122.978 122.820 0.043 0.000 2.169 54 A HA -0.016 4.304 4.320 0.001 0.000 0.212 54 A C 0.320 177.919 177.584 0.026 0.000 1.153 54 A CA -0.342 51.719 52.037 0.040 0.000 0.756 54 A CB -0.322 18.709 19.000 0.053 0.000 0.813 54 A HN 0.137 nan 8.150 nan 0.000 0.471 55 W N 1.077 122.150 121.300 -0.378 0.000 2.187 55 W HA 0.293 4.954 4.660 0.000 0.000 0.348 55 W C -2.133 174.192 176.519 -0.323 0.000 1.282 55 W CA -1.720 55.375 57.345 -0.417 0.000 1.271 55 W CB -0.234 28.775 29.460 -0.752 0.000 1.170 55 W HN 0.065 nan 8.180 nan 0.000 0.583 56 P HA -0.001 nan 4.420 nan 0.000 0.266 56 P C 0.241 177.515 177.300 -0.043 0.000 1.195 56 P CA 0.536 63.605 63.100 -0.053 0.000 0.768 56 P CB 0.495 32.156 31.700 -0.066 0.000 0.838 57 A N 3.520 126.317 122.820 -0.038 0.000 1.978 57 A HA -0.198 4.122 4.320 0.001 0.000 0.220 57 A C 2.044 179.622 177.584 -0.011 0.000 1.170 57 A CA 2.463 54.484 52.037 -0.027 0.000 0.636 57 A CB -1.922 17.070 19.000 -0.013 0.000 0.810 57 A HN 0.649 nan 8.150 nan 0.000 0.448 58 T N -0.832 113.717 114.554 -0.008 0.000 2.665 58 T HA -0.180 4.171 4.350 0.001 0.000 0.268 58 T C 1.798 176.512 174.700 0.022 0.000 1.035 58 T CA 1.651 63.752 62.100 0.002 0.000 1.151 58 T CB -0.640 68.224 68.868 -0.007 0.000 0.862 58 T HN 0.333 nan 8.240 nan 0.000 0.438 59 L N 0.131 121.379 121.223 0.041 0.000 2.109 59 L HA 0.087 4.427 4.340 0.001 0.000 0.207 59 L C 3.289 180.220 176.870 0.101 0.000 1.086 59 L CA 1.067 55.971 54.840 0.106 0.000 0.760 59 L CB -0.451 41.746 42.059 0.230 0.000 0.910 59 L HN 0.172 nan 8.230 nan 0.000 0.437 60 R N 0.000 120.503 120.500 0.004 0.000 2.096 60 R HA -0.129 4.211 4.340 0.001 0.000 0.235 60 R C 2.440 178.803 176.300 0.106 0.000 1.127 60 R CA 1.219 57.337 56.100 0.030 0.000 0.968 60 R CB -0.227 30.005 30.300 -0.114 0.000 0.861 60 R HN 0.335 nan 8.270 nan 0.000 0.440 61 R N 0.376 120.914 120.500 0.062 0.000 2.075 61 R HA -0.101 4.239 4.340 0.001 0.000 0.232 61 R C 1.732 178.071 176.300 0.066 0.000 1.126 61 R CA 1.454 57.590 56.100 0.060 0.000 0.963 61 R CB -0.162 30.158 30.300 0.034 0.000 0.858 61 R HN 0.214 nan 8.270 nan 0.000 0.435 62 D N 0.580 121.017 120.400 0.061 0.000 2.097 62 D HA -0.152 4.488 4.640 0.001 0.000 0.195 62 D C 1.913 178.270 176.300 0.095 0.000 0.989 62 D CA 0.948 54.979 54.000 0.052 0.000 0.827 62 D CB -0.085 40.734 40.800 0.033 0.000 0.966 62 D HN 0.060 nan 8.370 nan 0.000 0.456 63 L N 0.785 122.081 121.223 0.121 0.000 2.056 63 L HA -0.073 4.268 4.340 0.001 0.000 0.207 63 L C 2.476 179.425 176.870 0.132 0.000 1.078 63 L CA 1.123 56.037 54.840 0.123 0.000 0.749 63 L CB -1.287 40.849 42.059 0.128 0.000 0.901 63 L HN -0.047 nan 8.230 nan 0.000 0.433 64 A N -0.070 122.824 122.820 0.123 0.000 1.933 64 A HA -0.118 4.203 4.320 0.001 0.000 0.218 64 A C 2.407 180.050 177.584 0.098 0.000 1.175 64 A CA 1.670 53.767 52.037 0.100 0.000 0.628 64 A CB -1.012 18.048 19.000 0.099 0.000 0.814 64 A HN 0.442 nan 8.150 nan 0.000 0.444 65 G N -1.407 107.457 108.800 0.108 0.000 2.402 65 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 65 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 65 G C 1.440 176.437 174.900 0.163 0.000 1.162 65 G CA 1.083 46.247 45.100 0.105 0.000 0.777 65 G HN 0.493 nan 8.290 nan 0.000 0.539 66 F N 1.413 121.400 119.950 0.062 0.000 2.171 66 F HA 0.052 4.579 4.527 0.001 0.000 0.300 66 F C 2.610 178.472 175.800 0.103 0.000 1.090 66 F CA 1.582 59.652 58.000 0.117 0.000 1.293 66 F CB -0.131 38.905 39.000 0.060 0.000 1.013 66 F HN 0.068 nan 8.300 nan 0.000 0.486 67 R N -0.029 120.474 120.500 0.005 0.000 2.096 67 R HA -0.196 4.144 4.340 0.001 0.000 0.235 67 R C 2.389 178.698 176.300 0.014 0.000 1.127 67 R CA 1.437 57.537 56.100 -0.000 0.000 0.968 67 R CB -0.258 30.069 30.300 0.046 0.000 0.861 67 R HN 0.160 nan 8.270 nan 0.000 0.440 68 R N 0.611 121.123 120.500 0.021 0.000 2.090 68 R HA -0.045 4.295 4.340 0.001 0.000 0.228 68 R C -0.536 175.764 176.300 0.001 0.000 1.110 68 R CA 1.615 57.729 56.100 0.023 0.000 0.973 68 R CB 0.038 30.362 30.300 0.040 0.000 0.869 68 R HN 0.118 nan 8.270 nan 0.000 0.440 69 D N -1.330 119.067 120.400 -0.006 0.000 2.470 69 D HA 0.076 4.717 4.640 0.001 0.000 0.233 69 D C -0.500 175.788 176.300 -0.020 0.000 1.372 69 D CA 0.003 54.002 54.000 -0.000 0.000 0.994 69 D CB 1.462 42.304 40.800 0.069 0.000 1.377 69 D HN 0.099 nan 8.370 nan 0.000 0.586 70 S N 1.642 117.220 115.700 -0.203 0.000 2.603 70 S HA 0.456 4.926 4.470 0.001 0.000 0.220 70 S C 1.233 175.708 174.600 -0.209 0.000 0.967 70 S CA 0.379 58.360 58.200 -0.366 0.000 0.920 70 S CB -0.322 62.539 63.200 -0.564 0.000 0.773 70 S HN 1.022 nan 8.310 nan 0.000 0.529 71 G N 2.467 111.168 108.800 -0.165 0.000 2.828 71 G HA2 -0.168 3.793 3.960 0.001 0.000 0.463 71 G HA3 -0.168 3.793 3.960 0.001 0.000 0.463 71 G C -1.835 172.921 174.900 -0.241 0.000 1.394 71 G CA -0.358 44.559 45.100 -0.306 0.000 0.862 71 G HN 0.228 nan 8.290 nan 0.000 0.540 72 P HA 0.047 nan 4.420 nan 0.000 0.222 72 P C 0.665 177.903 177.300 -0.103 0.000 1.147 72 P CA 1.708 64.747 63.100 -0.102 0.000 0.790 72 P CB 0.134 31.803 31.700 -0.051 0.000 0.780 73 D N -1.231 119.075 120.400 -0.157 0.000 2.369 73 D HA 0.116 4.756 4.640 0.001 0.000 0.211 73 D C 1.242 177.505 176.300 -0.062 0.000 1.077 73 D CA 0.456 54.400 54.000 -0.093 0.000 0.842 73 D CB -0.005 40.750 40.800 -0.075 0.000 0.947 73 D HN 0.112 nan 8.370 nan 0.000 0.509 74 G N 1.389 110.139 108.800 -0.082 0.000 2.305 74 G HA2 -0.084 3.876 3.960 0.001 0.000 0.287 74 G HA3 -0.084 3.876 3.960 0.001 0.000 0.287 74 G C 0.231 175.252 174.900 0.201 0.000 1.036 74 G CA 0.554 45.664 45.100 0.016 0.000 0.887 74 G HN 0.636 nan 8.290 nan 0.000 0.505 75 A N -1.117 121.856 122.820 0.254 0.000 2.604 75 A HA 0.862 5.183 4.320 0.001 0.000 0.295 75 A C -0.846 176.795 177.584 0.095 0.000 1.067 75 A CA -0.043 52.136 52.037 0.237 0.000 0.683 75 A CB 1.698 20.753 19.000 0.091 0.000 1.281 75 A HN 1.558 nan 8.150 nan 0.000 0.407 76 I N 0.954 121.389 120.570 -0.225 0.000 2.769 76 I HA 0.729 4.900 4.170 0.001 0.000 0.298 76 I C -1.642 174.358 176.117 -0.195 0.000 1.128 76 I CA -0.956 60.181 61.300 -0.271 0.000 1.031 76 I CB 2.192 39.769 38.000 -0.704 0.000 1.235 76 I HN 0.464 nan 8.210 nan 0.000 0.423 77 V N 7.109 126.960 119.914 -0.105 0.000 2.540 77 V HA 0.479 4.599 4.120 0.001 0.000 0.302 77 V C -0.716 175.340 176.094 -0.064 0.000 1.035 77 V CA -0.605 61.650 62.300 -0.075 0.000 0.873 77 V CB 1.610 33.401 31.823 -0.052 0.000 0.992 77 V HN 0.414 nan 8.190 nan 0.000 0.428 78 L N 5.576 126.772 121.223 -0.045 0.000 2.317 78 L HA 0.654 4.994 4.340 0.001 0.000 0.281 78 L C 0.188 177.058 176.870 -0.001 0.000 1.024 78 L CA -0.173 54.658 54.840 -0.015 0.000 0.810 78 L CB 1.558 43.629 42.059 0.019 0.000 1.240 78 L HN 0.561 nan 8.230 nan 0.000 0.427 79 R N 1.499 121.997 120.500 -0.004 0.000 2.670 79 R HA 0.695 5.035 4.340 0.001 0.000 0.289 79 R C 0.318 176.610 176.300 -0.012 0.000 0.965 79 R CA -0.372 55.727 56.100 -0.001 0.000 0.899 79 R CB 1.826 32.126 30.300 0.000 0.000 1.173 79 R HN 0.798 nan 8.270 nan 0.000 0.456 80 G N 1.737 110.527 108.800 -0.018 0.000 2.138 80 G HA2 -0.205 3.755 3.960 0.001 0.000 0.193 80 G HA3 -0.205 3.755 3.960 0.001 0.000 0.193 80 G C -0.072 174.795 174.900 -0.054 0.000 0.998 80 G CA -0.576 44.504 45.100 -0.033 0.000 0.668 80 G HN 0.370 nan 8.290 nan 0.000 0.516 81 L N 1.698 122.892 121.223 -0.048 0.000 2.436 81 L HA 0.428 4.769 4.340 0.001 0.000 0.265 81 L C -1.274 175.547 176.870 -0.082 0.000 1.168 81 L CA -1.874 52.923 54.840 -0.072 0.000 0.815 81 L CB 0.550 42.594 42.059 -0.024 0.000 1.109 81 L HN -0.002 nan 8.230 nan 0.000 0.462 82 P HA 0.181 nan 4.420 nan 0.000 0.282 82 P C -1.152 176.068 177.300 -0.133 0.000 1.262 82 P CA -0.133 62.903 63.100 -0.106 0.000 0.773 82 P CB 1.182 32.798 31.700 -0.139 0.000 0.879 83 V N -0.701 119.153 119.914 -0.101 0.000 2.925 83 V HA 0.448 4.568 4.120 0.001 0.000 0.311 83 V C -0.256 175.800 176.094 -0.063 0.000 1.104 83 V CA -0.955 61.266 62.300 -0.132 0.000 0.954 83 V CB 2.226 33.966 31.823 -0.138 0.000 1.022 83 V HN 0.292 nan 8.190 nan 0.000 0.427 84 D N 2.080 122.436 120.400 -0.074 0.000 2.845 84 D HA 0.292 4.932 4.640 0.001 0.000 0.235 84 D C 1.325 177.649 176.300 0.040 0.000 1.158 84 D CA 0.617 54.655 54.000 0.063 0.000 0.990 84 D CB 0.345 41.203 40.800 0.098 0.000 1.094 84 D HN 0.620 nan 8.370 nan 0.000 0.486 85 S N 1.209 116.924 115.700 0.025 0.000 2.370 85 S HA -0.215 4.256 4.470 0.001 0.000 0.226 85 S C 2.039 176.665 174.600 0.043 0.000 1.033 85 S CA 1.346 59.556 58.200 0.018 0.000 1.011 85 S CB -0.154 63.054 63.200 0.013 0.000 0.852 85 S HN 0.686 nan 8.310 nan 0.000 0.457 86 M N 0.179 119.813 119.600 0.057 0.000 2.175 86 M HA 0.092 4.572 4.480 0.001 0.000 0.264 86 M C 2.037 178.378 176.300 0.069 0.000 1.063 86 M CA 1.860 57.194 55.300 0.056 0.000 1.119 86 M CB -0.988 31.641 32.600 0.049 0.000 1.377 86 M HN 0.261 nan 8.290 nan 0.000 0.415 87 G N 1.388 110.243 108.800 0.092 0.000 2.985 87 G HA2 0.281 4.242 3.960 0.001 0.000 0.209 87 G HA3 0.281 4.242 3.960 0.001 0.000 0.209 87 G C 0.691 175.650 174.900 0.097 0.000 1.165 87 G CA -0.415 44.748 45.100 0.106 0.000 0.776 87 G HN 0.277 nan 8.290 nan 0.000 0.541 88 L N 2.603 123.874 121.223 0.081 0.000 2.462 88 L HA 0.201 4.541 4.340 0.001 0.000 0.272 88 L C -1.241 175.736 176.870 0.179 0.000 1.166 88 L CA -1.337 53.564 54.840 0.102 0.000 0.880 88 L CB 0.954 43.047 42.059 0.057 0.000 1.142 88 L HN 0.112 nan 8.230 nan 0.000 0.473 89 P HA 0.309 nan 4.420 nan 0.000 0.277 89 P C -2.631 174.808 177.300 0.232 0.000 1.276 89 P CA -1.445 61.780 63.100 0.208 0.000 0.788 89 P CB -0.455 31.360 31.700 0.191 0.000 1.114 90 P HA 0.060 nan 4.420 nan 0.000 0.267 90 P C -0.240 177.018 177.300 -0.069 0.000 1.200 90 P CA 0.371 63.504 63.100 0.055 0.000 0.772 90 P CB -0.300 31.410 31.700 0.015 0.000 0.855 91 T N 4.638 119.124 114.554 -0.114 0.000 2.867 91 T HA 0.136 4.487 4.350 0.001 0.000 0.297 91 T C -2.004 172.400 174.700 -0.493 0.000 0.989 91 T CA -0.526 61.301 62.100 -0.455 0.000 1.159 91 T CB -0.657 68.097 68.868 -0.190 0.000 0.928 91 T HN 0.327 nan 8.240 nan 0.000 0.538 92 P HA 0.196 nan 4.420 nan 0.000 0.268 92 P C 0.232 177.372 177.300 -0.268 0.000 1.208 92 P CA -0.198 62.641 63.100 -0.434 0.000 0.777 92 P CB 0.545 31.966 31.700 -0.464 0.000 0.875 93 R N 1.135 121.538 120.500 -0.161 0.000 2.616 93 R HA 0.247 4.587 4.340 0.001 0.000 0.427 93 R C -0.486 175.748 176.300 -0.109 0.000 1.030 93 R CA -0.123 55.918 56.100 -0.099 0.000 1.133 93 R CB 0.367 30.621 30.300 -0.075 0.000 1.444 93 R HN 0.397 nan 8.270 nan 0.000 0.578 94 V N -2.161 117.689 119.914 -0.108 0.000 2.667 94 V HA 0.469 4.589 4.120 0.001 0.000 0.308 94 V C -0.187 175.855 176.094 -0.086 0.000 1.048 94 V CA -1.116 61.126 62.300 -0.097 0.000 0.928 94 V CB 1.745 33.517 31.823 -0.085 0.000 1.004 94 V HN 0.182 nan 8.190 nan 0.000 0.444 95 N N 1.668 120.312 118.700 -0.093 0.000 2.508 95 N HA 0.385 5.125 4.740 0.001 0.000 0.264 95 N C 1.118 176.589 175.510 -0.066 0.000 1.216 95 N CA 0.801 53.795 53.050 -0.093 0.000 0.943 95 N CB 1.004 39.403 38.487 -0.146 0.000 1.113 95 N HN 1.604 nan 8.380 nan 0.000 0.447 96 G N 1.139 109.916 108.800 -0.039 0.000 2.148 96 G HA2 -0.280 3.681 3.960 0.001 0.000 0.254 96 G HA3 -0.280 3.681 3.960 0.001 0.000 0.254 96 G C 0.142 175.038 174.900 -0.007 0.000 0.981 96 G CA 0.395 45.487 45.100 -0.013 0.000 0.670 96 G HN 0.666 nan 8.290 nan 0.000 0.528 97 S N -0.119 115.573 115.700 -0.015 0.000 2.544 97 S HA 0.505 4.976 4.470 0.001 0.000 0.290 97 S C 0.641 175.254 174.600 0.022 0.000 1.276 97 S CA 0.524 58.716 58.200 -0.014 0.000 1.075 97 S CB 0.573 63.744 63.200 -0.049 0.000 0.849 97 S HN 1.806 nan 8.310 nan 0.000 0.494 98 V N 2.962 122.889 119.914 0.021 0.000 3.160 98 V HA 0.687 4.808 4.120 0.001 0.000 0.310 98 V C -0.910 175.198 176.094 0.024 0.000 1.181 98 V CA -1.164 61.151 62.300 0.025 0.000 1.047 98 V CB 1.926 33.751 31.823 0.002 0.000 1.068 98 V HN 0.648 nan 8.190 nan 0.000 0.441 99 Q N 1.388 121.189 119.800 0.001 0.000 2.509 99 Q HA 0.480 4.821 4.340 0.001 0.000 0.230 99 Q C 0.590 176.532 176.000 -0.097 0.000 1.089 99 Q CA -0.122 55.666 55.803 -0.026 0.000 0.901 99 Q CB 0.988 29.704 28.738 -0.037 0.000 1.208 99 Q HN 0.679 nan 8.270 nan 0.000 0.529 100 R N 1.312 121.762 120.500 -0.084 0.000 2.140 100 R HA 0.133 4.473 4.340 0.001 0.000 0.213 100 R C -0.091 176.107 176.300 -0.170 0.000 1.059 100 R CA 0.453 56.481 56.100 -0.119 0.000 1.000 100 R CB 0.363 30.620 30.300 -0.073 0.000 0.910 100 R HN 0.505 nan 8.270 nan 0.000 0.455 101 E N 0.902 121.023 120.200 -0.133 0.000 2.319 101 E HA 0.326 4.677 4.350 0.001 0.000 0.268 101 E C -0.383 176.086 176.600 -0.217 0.000 1.050 101 E CA -0.402 55.915 56.400 -0.138 0.000 0.878 101 E CB 1.087 30.755 29.700 -0.052 0.000 1.066 101 E HN 0.066 nan 8.360 nan 0.000 0.406 102 A N 1.874 124.564 122.820 -0.216 0.000 2.531 102 A HA 0.330 4.650 4.320 0.001 0.000 0.236 102 A C 0.304 177.871 177.584 -0.029 0.000 1.062 102 A CA 0.459 52.398 52.037 -0.165 0.000 0.760 102 A CB -0.093 19.002 19.000 0.160 0.000 0.995 102 A HN 0.632 nan 8.150 nan 0.000 0.501 103 S N 1.184 116.878 115.700 -0.011 0.000 2.611 103 S HA 0.439 4.909 4.470 0.001 0.000 0.268 103 S C 0.180 174.716 174.600 -0.106 0.000 1.156 103 S CA -0.362 57.802 58.200 -0.059 0.000 0.817 103 S CB 0.413 63.557 63.200 -0.094 0.000 1.122 103 S HN 0.821 nan 8.310 nan 0.000 0.466 104 L N 2.000 123.039 121.223 -0.307 0.000 2.046 104 L HA 0.205 4.545 4.340 0.001 0.000 0.208 104 L C 2.481 179.214 176.870 -0.229 0.000 1.077 104 L CA 2.755 57.337 54.840 -0.429 0.000 0.747 104 L CB -1.216 40.405 42.059 -0.731 0.000 0.896 104 L HN 1.041 nan 8.230 nan 0.000 0.432 105 G N -1.500 107.175 108.800 -0.209 0.000 2.418 105 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 105 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 105 G C 1.634 176.484 174.900 -0.083 0.000 1.158 105 G CA 0.757 45.758 45.100 -0.164 0.000 0.771 105 G HN 0.564 nan 8.290 nan 0.000 0.545 106 A N 1.170 123.949 122.820 -0.067 0.000 1.933 106 A HA 0.242 4.562 4.320 0.001 0.000 0.218 106 A C 2.814 180.503 177.584 0.175 0.000 1.175 106 A CA 2.291 54.316 52.037 -0.021 0.000 0.628 106 A CB -0.782 18.113 19.000 -0.174 0.000 0.814 106 A HN 0.772 nan 8.150 nan 0.000 0.444 107 A N -0.506 122.466 122.820 0.252 0.000 1.858 107 A HA -0.029 4.291 4.320 0.001 0.000 0.216 107 A C 2.246 179.937 177.584 0.178 0.000 1.190 107 A CA 1.880 54.079 52.037 0.270 0.000 0.617 107 A CB -1.094 17.976 19.000 0.118 0.000 0.827 107 A HN 0.412 nan 8.150 nan 0.000 0.443 108 V N 0.032 120.016 119.914 0.116 0.000 2.287 108 V HA -0.284 3.836 4.120 0.001 0.000 0.248 108 V C 2.608 178.793 176.094 0.152 0.000 1.053 108 V CA 2.134 64.547 62.300 0.188 0.000 1.027 108 V CB -0.798 31.081 31.823 0.093 0.000 0.646 108 V HN 0.557 nan 8.190 nan 0.000 0.447 109 L N -0.966 120.293 121.223 0.060 0.000 2.027 109 L HA -0.156 4.185 4.340 0.001 0.000 0.206 109 L C 2.343 179.199 176.870 -0.023 0.000 1.074 109 L CA 1.488 56.328 54.840 0.001 0.000 0.745 109 L CB -0.400 41.639 42.059 -0.034 0.000 0.898 109 L HN 0.290 nan 8.230 nan 0.000 0.433 110 L N -1.383 119.861 121.223 0.034 0.000 2.179 110 L HA -0.152 4.188 4.340 0.001 0.000 0.208 110 L C 2.582 179.420 176.870 -0.054 0.000 1.096 110 L CA 0.852 55.697 54.840 0.007 0.000 0.779 110 L CB -0.305 41.835 42.059 0.134 0.000 0.922 110 L HN 0.316 nan 8.230 nan 0.000 0.443 111 M N -0.635 118.972 119.600 0.011 0.000 2.086 111 M HA -0.185 4.296 4.480 0.001 0.000 0.261 111 M C 2.294 178.362 176.300 -0.386 0.000 1.067 111 M CA 2.038 57.327 55.300 -0.018 0.000 1.116 111 M CB -0.656 32.106 32.600 0.271 0.000 1.348 111 M HN 0.208 nan 8.290 nan 0.000 0.407 112 T N 0.768 115.086 114.554 -0.395 0.000 2.788 112 T HA -0.077 4.273 4.350 0.001 0.000 0.268 112 T C 1.895 176.156 174.700 -0.732 0.000 1.044 112 T CA 1.430 63.063 62.100 -0.777 0.000 1.139 112 T CB -0.389 68.261 68.868 -0.364 0.000 0.867 112 T HN 0.490 nan 8.240 nan 0.000 0.454 113 A N 0.718 123.294 122.820 -0.407 0.000 1.908 113 A HA -0.145 4.175 4.320 0.001 0.000 0.218 113 A C 2.643 180.013 177.584 -0.356 0.000 1.181 113 A CA 1.541 53.403 52.037 -0.291 0.000 0.627 113 A CB -1.311 17.595 19.000 -0.156 0.000 0.818 113 A HN 0.635 nan 8.150 nan 0.000 0.445 114 C N -1.041 118.008 119.300 -0.418 0.000 2.432 114 C HA 0.096 4.556 4.460 0.001 0.000 0.282 114 C C 2.850 177.455 174.990 -0.641 0.000 1.388 114 C CA 0.293 59.083 59.018 -0.380 0.000 1.777 114 C CB -1.512 26.082 27.740 -0.243 0.000 1.882 114 C HN 0.720 nan 8.230 nan 0.000 0.520 115 G N 0.068 108.071 108.800 -1.329 0.000 2.403 115 G HA2 -0.069 3.891 3.960 0.001 0.000 0.216 115 G HA3 -0.069 3.891 3.960 0.001 0.000 0.216 115 G C 1.503 175.976 174.900 -0.711 0.000 1.154 115 G CA 0.390 44.496 45.100 -1.657 0.000 0.784 115 G HN 0.514 nan 8.290 nan 0.000 0.538 116 L N -0.428 120.444 121.223 -0.584 0.000 2.375 116 L HA 0.343 4.684 4.340 0.001 0.000 0.215 116 L C 1.709 178.524 176.870 -0.092 0.000 1.108 116 L CA 0.630 55.294 54.840 -0.293 0.000 0.830 116 L CB 0.250 42.099 42.059 -0.351 0.000 0.959 116 L HN 0.446 nan 8.230 nan 0.000 0.457 117 G N -1.595 107.136 108.800 -0.115 0.000 2.528 117 G HA2 0.055 4.015 3.960 0.001 0.000 0.078 117 G HA3 0.055 4.015 3.960 0.001 0.000 0.078 117 G C -1.636 173.247 174.900 -0.029 0.000 1.008 117 G CA -0.476 44.616 45.100 -0.013 0.000 1.309 117 G HN -0.012 nan 8.290 nan 0.000 0.564 118 D N 1.069 121.481 120.400 0.019 0.000 2.661 118 D HA 0.491 5.132 4.640 0.001 0.000 0.228 118 D C -2.756 173.573 176.300 0.047 0.000 1.183 118 D CA -0.800 53.228 54.000 0.047 0.000 0.844 118 D CB 3.218 44.117 40.800 0.164 0.000 1.555 118 D HN 0.186 nan 8.370 nan 0.000 0.453 119 P HA 0.359 nan 4.420 nan 0.000 0.274 119 P C -0.410 176.938 177.300 0.081 0.000 1.237 119 P CA -0.116 62.977 63.100 -0.012 0.000 0.793 119 P CB 1.216 32.833 31.700 -0.139 0.000 0.977 120 G N -0.840 108.007 108.800 0.078 0.000 2.698 120 G HA2 0.663 4.623 3.960 0.001 0.000 0.293 120 G HA3 0.663 4.623 3.960 0.001 0.000 0.293 120 G C -1.980 172.935 174.900 0.025 0.000 1.437 120 G CA -0.360 44.762 45.100 0.037 0.000 0.852 120 G HN 0.645 nan 8.290 nan 0.000 0.499 121 A N -0.434 122.310 122.820 -0.126 0.000 2.588 121 A HA 0.884 5.204 4.320 0.001 0.000 0.290 121 A C -1.999 175.382 177.584 -0.339 0.000 1.136 121 A CA -0.763 51.242 52.037 -0.053 0.000 0.681 121 A CB 1.127 20.183 19.000 0.094 0.000 1.282 121 A HN 0.832 nan 8.150 nan 0.000 0.421 122 F N 0.577 120.675 119.950 0.247 0.000 2.467 122 F HA 0.437 4.964 4.527 0.001 0.000 0.336 122 F C 1.090 176.972 175.800 0.137 0.000 1.123 122 F CA -0.571 57.569 58.000 0.234 0.000 0.964 122 F CB 1.860 41.106 39.000 0.410 0.000 1.136 122 F HN 0.516 nan 8.300 nan 0.000 0.447 123 L N 5.696 127.041 121.223 0.203 0.000 2.043 123 L HA -0.055 4.286 4.340 0.001 0.000 0.212 123 L C -0.996 175.863 176.870 -0.018 0.000 1.075 123 L CA 2.195 57.081 54.840 0.076 0.000 0.752 123 L CB -1.241 40.851 42.059 0.055 0.000 0.891 123 L HN 0.376 nan 8.230 nan 0.000 0.432 124 P HA -0.046 nan 4.420 nan 0.000 0.242 124 P C -0.414 176.747 177.300 -0.232 0.000 1.197 124 P CA 0.579 63.432 63.100 -0.412 0.000 0.765 124 P CB -0.014 31.013 31.700 -1.121 0.000 0.936 125 E N 0.966 121.181 120.200 0.024 0.000 2.185 125 E HA 0.169 4.520 4.350 0.001 0.000 0.261 125 E C -0.222 176.500 176.600 0.202 0.000 0.879 125 E CA -0.735 55.792 56.400 0.213 0.000 0.756 125 E CB 0.375 30.352 29.700 0.461 0.000 1.152 125 E HN -0.281 nan 8.360 nan 0.000 0.416 126 K N 3.386 123.870 120.400 0.139 0.000 3.035 126 K HA -0.235 4.085 4.320 0.001 0.000 0.262 126 K C -0.340 176.302 176.600 0.069 0.000 1.024 126 K CA 0.966 57.311 56.287 0.097 0.000 0.748 126 K CB -2.201 30.365 32.500 0.110 0.000 1.247 126 K HN 0.869 nan 8.250 nan 0.000 0.482 127 N N -1.372 117.360 118.700 0.053 0.000 2.693 127 N HA -0.228 4.512 4.740 0.001 0.000 0.249 127 N C 0.803 176.341 175.510 0.046 0.000 1.119 127 N CA 2.366 55.435 53.050 0.032 0.000 0.717 127 N CB -1.505 36.991 38.487 0.014 0.000 1.071 127 N HN 0.890 nan 8.380 nan 0.000 0.555 128 G N -2.079 106.772 108.800 0.084 0.000 2.155 128 G HA2 -0.175 3.785 3.960 0.001 0.000 0.257 128 G HA3 -0.175 3.785 3.960 0.001 0.000 0.257 128 G C 0.350 175.282 174.900 0.053 0.000 0.983 128 G CA 0.978 46.130 45.100 0.087 0.000 0.676 128 G HN 1.233 nan 8.290 nan 0.000 0.528 129 A N -0.377 122.465 122.820 0.036 0.000 2.477 129 A HA 0.653 4.973 4.320 0.001 0.000 0.246 129 A C 1.553 179.119 177.584 -0.029 0.000 1.078 129 A CA 0.426 52.459 52.037 -0.007 0.000 0.770 129 A CB 0.260 19.250 19.000 -0.016 0.000 1.011 129 A HN 0.729 nan 8.150 nan 0.000 0.494 130 L N 2.103 123.289 121.223 -0.062 0.000 2.217 130 L HA -0.010 4.330 4.340 0.001 0.000 0.211 130 L C -0.066 176.728 176.870 -0.127 0.000 1.107 130 L CA 0.650 55.435 54.840 -0.091 0.000 0.783 130 L CB -0.310 41.680 42.059 -0.115 0.000 0.919 130 L HN 0.465 nan 8.230 nan 0.000 0.442 131 V N 0.560 120.405 119.914 -0.116 0.000 2.376 131 V HA 0.301 4.421 4.120 0.001 0.000 0.287 131 V C -0.536 175.515 176.094 -0.070 0.000 1.015 131 V CA -0.597 61.637 62.300 -0.110 0.000 0.834 131 V CB 1.509 33.267 31.823 -0.109 0.000 1.001 131 V HN 0.185 nan 8.190 nan 0.000 0.428 132 Q N 2.559 122.316 119.800 -0.072 0.000 2.342 132 Q HA 0.497 4.838 4.340 0.001 0.000 0.267 132 Q C -1.335 174.698 176.000 0.055 0.000 1.038 132 Q CA -0.930 54.864 55.803 -0.015 0.000 0.832 132 Q CB 2.600 31.311 28.738 -0.045 0.000 1.323 132 Q HN 0.585 nan 8.270 nan 0.000 0.448 133 D N 1.415 121.883 120.400 0.113 0.000 2.304 133 D HA 0.204 4.845 4.640 0.001 0.000 0.250 133 D C -0.725 175.672 176.300 0.163 0.000 1.107 133 D CA -0.118 54.006 54.000 0.207 0.000 0.885 133 D CB 1.756 42.669 40.800 0.189 0.000 1.192 133 D HN 0.127 nan 8.370 nan 0.000 0.436 134 V N 2.961 123.004 119.914 0.215 0.000 2.293 134 V HA 0.332 4.452 4.120 0.001 0.000 0.275 134 V C 0.093 176.298 176.094 0.185 0.000 1.021 134 V CA -0.623 61.789 62.300 0.186 0.000 0.815 134 V CB 1.028 32.956 31.823 0.174 0.000 1.025 134 V HN 0.405 nan 8.190 nan 0.000 0.448 135 V N 3.481 123.469 119.914 0.123 0.000 2.932 135 V HA 0.765 4.885 4.120 0.001 0.000 0.307 135 V C -2.887 173.283 176.094 0.125 0.000 1.147 135 V CA -2.354 59.990 62.300 0.073 0.000 0.951 135 V CB 2.649 34.392 31.823 -0.132 0.000 1.031 135 V HN 0.525 nan 8.190 nan 0.000 0.426 136 P HA 0.416 nan 4.420 nan 0.000 0.280 136 P C -0.812 176.652 177.300 0.274 0.000 1.244 136 P CA -0.134 63.099 63.100 0.222 0.000 0.784 136 P CB 1.742 33.546 31.700 0.174 0.000 0.913 137 V N 5.452 125.474 119.914 0.180 0.000 2.487 137 V HA 0.306 4.426 4.120 0.001 0.000 0.298 137 V C -2.252 173.747 176.094 -0.157 0.000 1.028 137 V CA -2.401 59.897 62.300 -0.004 0.000 0.860 137 V CB 1.673 33.457 31.823 -0.065 0.000 0.991 137 V HN 0.459 nan 8.190 nan 0.000 0.427 138 P HA 0.195 nan 4.420 nan 0.000 0.262 138 P C 1.012 178.152 177.300 -0.266 0.000 1.182 138 P CA 1.520 64.227 63.100 -0.655 0.000 0.761 138 P CB 0.555 31.801 31.700 -0.757 0.000 0.795 139 G N 2.996 111.705 108.800 -0.151 0.000 2.217 139 G HA2 -0.262 3.698 3.960 0.001 0.000 0.246 139 G HA3 -0.262 3.698 3.960 0.001 0.000 0.246 139 G C 0.639 175.508 174.900 -0.053 0.000 0.990 139 G CA -0.056 44.991 45.100 -0.088 0.000 0.627 139 G HN 0.457 nan 8.290 nan 0.000 0.522 140 M N 0.443 120.017 119.600 -0.042 0.000 2.475 140 M HA 0.322 4.802 4.480 0.001 0.000 0.283 140 M C 1.588 177.933 176.300 0.076 0.000 1.165 140 M CA 0.211 55.507 55.300 -0.007 0.000 0.976 140 M CB 0.221 32.779 32.600 -0.070 0.000 1.428 140 M HN 0.231 nan 8.290 nan 0.000 0.495 141 E N 1.464 121.695 120.200 0.053 0.000 2.097 141 E HA -0.181 4.169 4.350 0.001 0.000 0.196 141 E C 1.442 178.069 176.600 0.046 0.000 1.000 141 E CA 1.290 57.711 56.400 0.034 0.000 0.804 141 E CB 0.042 29.748 29.700 0.010 0.000 0.740 141 E HN 0.366 nan 8.360 nan 0.000 0.454 142 E N -0.364 119.877 120.200 0.068 0.000 2.489 142 E HA 0.004 4.354 4.350 0.001 0.000 0.193 142 E C -0.187 176.476 176.600 0.105 0.000 1.057 142 E CA -0.137 56.300 56.400 0.062 0.000 0.866 142 E CB -0.199 29.528 29.700 0.045 0.000 0.916 142 E HN 0.171 nan 8.360 nan 0.000 0.500 143 F N 2.582 122.525 119.950 -0.012 0.000 2.495 143 F HA 0.022 4.549 4.527 0.000 0.000 0.365 143 F C 0.826 176.623 175.800 -0.005 0.000 1.090 143 F CA -0.318 57.679 58.000 -0.006 0.000 1.235 143 F CB 0.714 39.716 39.000 0.003 0.000 1.119 143 F HN -0.248 nan 8.300 nan 0.000 0.562 144 Q N 5.571 124.988 119.800 -0.638 0.000 3.026 144 Q HA 0.371 4.712 4.340 0.001 0.000 0.258 144 Q C 0.240 175.829 176.000 -0.685 0.000 1.388 144 Q CA 0.036 55.527 55.803 -0.520 0.000 1.000 144 Q CB 0.185 28.663 28.738 -0.433 0.000 1.634 144 Q HN 0.932 nan 8.270 nan 0.000 0.571 145 G N 0.571 109.195 108.800 -0.294 0.000 2.427 145 G HA2 0.048 4.008 3.960 0.001 0.000 0.306 145 G HA3 0.048 4.008 3.960 0.001 0.000 0.306 145 G C 0.306 175.396 174.900 0.316 0.000 1.280 145 G CA -0.735 44.395 45.100 0.049 0.000 0.837 145 G HN 0.215 nan 8.290 nan 0.000 0.482 146 N N 0.042 118.952 118.700 0.351 0.000 2.091 146 N HA -0.141 4.600 4.740 0.001 0.000 0.193 146 N C 2.263 177.923 175.510 0.251 0.000 1.021 146 N CA 2.141 55.355 53.050 0.274 0.000 0.862 146 N CB -0.252 38.372 38.487 0.229 0.000 1.018 146 N HN 0.728 nan 8.380 nan 0.000 0.429 147 A N -0.126 122.851 122.820 0.260 0.000 2.208 147 A HA 0.344 4.664 4.320 0.001 0.000 0.209 147 A C 1.254 178.950 177.584 0.186 0.000 1.161 147 A CA 0.482 52.616 52.037 0.162 0.000 0.782 147 A CB -0.523 18.487 19.000 0.018 0.000 0.816 147 A HN 0.282 nan 8.150 nan 0.000 0.477 148 G N -1.193 107.761 108.800 0.256 0.000 2.562 148 G HA2 0.410 4.371 3.960 0.001 0.000 0.275 148 G HA3 0.410 4.371 3.960 0.001 0.000 0.275 148 G C 0.590 175.534 174.900 0.073 0.000 1.196 148 G CA 0.483 45.688 45.100 0.175 0.000 0.908 148 G HN 0.662 nan 8.290 nan 0.000 0.524 149 S N -1.594 114.058 115.700 -0.080 0.000 2.817 149 S HA 0.190 4.660 4.470 0.001 0.000 0.262 149 S C 0.706 175.187 174.600 -0.197 0.000 1.051 149 S CA 0.248 58.225 58.200 -0.372 0.000 1.185 149 S CB 0.206 62.826 63.200 -0.967 0.000 1.152 149 S HN 0.718 nan 8.310 nan 0.000 0.653 150 T N 2.131 116.646 114.554 -0.065 0.000 2.788 150 T HA 0.486 4.837 4.350 0.001 0.000 0.287 150 T C 0.056 174.763 174.700 0.011 0.000 1.007 150 T CA -0.626 61.458 62.100 -0.026 0.000 1.005 150 T CB 0.280 69.137 68.868 -0.017 0.000 1.012 150 T HN 0.469 nan 8.240 nan 0.000 0.530 151 L N 3.398 124.623 121.223 0.003 0.000 2.601 151 L HA 0.229 4.570 4.340 0.001 0.000 0.277 151 L C -0.431 176.419 176.870 -0.033 0.000 1.219 151 L CA -0.301 54.533 54.840 -0.010 0.000 0.915 151 L CB 0.200 42.242 42.059 -0.027 0.000 1.160 151 L HN 0.541 nan 8.230 nan 0.000 0.494 152 L N 6.200 127.400 121.223 -0.038 0.000 2.255 152 L HA 0.341 4.681 4.340 0.001 0.000 0.289 152 L C 0.464 177.261 176.870 -0.122 0.000 1.046 152 L CA 0.030 54.841 54.840 -0.048 0.000 0.816 152 L CB 1.090 43.165 42.059 0.027 0.000 1.197 152 L HN 0.772 nan 8.230 nan 0.000 0.427 153 T N 1.518 116.011 114.554 -0.101 0.000 2.900 153 T HA 0.246 4.597 4.350 0.001 0.000 0.307 153 T C 0.360 175.038 174.700 -0.037 0.000 1.065 153 T CA -0.349 61.691 62.100 -0.100 0.000 1.105 153 T CB 0.054 68.909 68.868 -0.022 0.000 0.979 153 T HN 0.256 nan 8.240 nan 0.000 0.544 154 F N 3.675 123.649 119.950 0.041 0.000 2.572 154 F HA 0.278 4.806 4.527 0.001 0.000 0.370 154 F C 1.451 177.237 175.800 -0.023 0.000 1.103 154 F CA 0.494 58.450 58.000 -0.072 0.000 1.286 154 F CB 0.100 39.023 39.000 -0.129 0.000 1.105 154 F HN 0.802 nan 8.300 nan 0.000 0.583 155 H N 0.333 119.351 119.070 -0.087 0.000 3.068 155 H HA 0.337 4.893 4.556 0.000 0.000 0.342 155 H C -1.664 173.550 175.328 -0.189 0.000 1.284 155 H CA -1.305 54.660 56.048 -0.138 0.000 1.181 155 H CB 0.432 30.101 29.762 -0.156 0.000 1.898 155 H HN 0.494 nan 8.280 nan 0.000 0.540 156 N N 0.886 119.537 118.700 -0.082 0.000 2.520 156 N HA 0.079 4.819 4.740 0.001 0.000 0.273 156 N C -0.273 175.267 175.510 0.049 0.000 1.155 156 N CA -0.381 52.626 53.050 -0.071 0.000 0.967 156 N CB 1.094 39.540 38.487 -0.068 0.000 1.092 156 N HN 0.501 nan 8.380 nan 0.000 0.457 157 E N 1.687 121.935 120.200 0.079 0.000 2.417 157 E HA -0.057 4.293 4.350 0.001 0.000 0.261 157 E C -0.645 175.894 176.600 -0.102 0.000 1.000 157 E CA 0.318 56.791 56.400 0.121 0.000 0.919 157 E CB -0.271 29.480 29.700 0.084 0.000 0.955 157 E HN 0.571 nan 8.360 nan 0.000 0.455 158 N N 2.815 121.454 118.700 -0.101 0.000 2.725 158 N HA -0.319 4.422 4.740 0.001 0.000 0.251 158 N C 0.465 175.769 175.510 -0.344 0.000 1.031 158 N CA 0.115 52.991 53.050 -0.289 0.000 0.720 158 N CB -0.635 37.406 38.487 -0.743 0.000 0.930 158 N HN 0.576 nan 8.380 nan 0.000 0.543 159 A N 0.502 123.263 122.820 -0.098 0.000 1.986 159 A HA -0.202 4.118 4.320 0.001 0.000 0.220 159 A C 1.721 179.234 177.584 -0.119 0.000 1.171 159 A CA 1.857 53.838 52.037 -0.094 0.000 0.640 159 A CB -0.751 18.242 19.000 -0.012 0.000 0.811 159 A HN 0.687 nan 8.150 nan 0.000 0.451 160 F N -1.256 118.599 119.950 -0.158 0.000 2.333 160 F HA 0.005 4.532 4.527 0.001 0.000 0.300 160 F C 1.157 176.857 175.800 -0.165 0.000 1.083 160 F CA 0.813 58.715 58.000 -0.162 0.000 1.395 160 F CB -0.556 38.321 39.000 -0.205 0.000 1.056 160 F HN 0.285 nan 8.300 nan 0.000 0.529 161 H N 2.083 120.410 119.070 -1.237 0.000 2.527 161 H HA 0.125 4.681 4.556 0.000 0.000 0.321 161 H C 1.133 176.156 175.328 -0.509 0.000 1.087 161 H CA 0.094 55.497 56.048 -1.074 0.000 1.337 161 H CB 1.229 30.118 29.762 -1.456 0.000 1.440 161 H HN 0.413 nan 8.280 nan 0.000 0.490 162 E N 3.113 123.126 120.200 -0.313 0.000 2.118 162 E HA -0.200 4.151 4.350 0.001 0.000 0.195 162 E C -0.065 176.365 176.600 -0.283 0.000 0.992 162 E CA 1.100 57.313 56.400 -0.311 0.000 0.804 162 E CB 0.197 29.620 29.700 -0.461 0.000 0.741 162 E HN 0.602 nan 8.360 nan 0.000 0.458 163 H N 0.603 119.890 119.070 0.361 0.000 2.490 163 H HA 0.143 4.699 4.556 0.000 0.000 0.285 163 H C -0.180 175.189 175.328 0.069 0.000 1.127 163 H CA -0.241 55.919 56.048 0.187 0.000 0.993 163 H CB -0.206 29.684 29.762 0.213 0.000 1.653 163 H HN 0.210 nan 8.280 nan 0.000 0.557 164 R N 0.578 121.076 120.500 -0.004 0.000 2.811 164 R HA 0.132 4.472 4.340 0.001 0.000 0.265 164 R C -2.669 173.590 176.300 -0.067 0.000 1.026 164 R CA -1.417 54.577 56.100 -0.177 0.000 1.142 164 R CB -0.597 29.531 30.300 -0.287 0.000 1.027 164 R HN -0.110 nan 8.270 nan 0.000 0.465 165 P HA -0.060 nan 4.420 nan 0.000 0.265 165 P C -0.386 176.852 177.300 -0.103 0.000 1.187 165 P CA 0.179 63.226 63.100 -0.089 0.000 0.766 165 P CB 0.504 32.067 31.700 -0.227 0.000 0.820 166 D N 1.377 121.711 120.400 -0.110 0.000 2.162 166 D HA 0.025 4.665 4.640 0.001 0.000 0.205 166 D C 0.323 176.287 176.300 -0.560 0.000 0.964 166 D CA 1.475 55.274 54.000 -0.335 0.000 0.847 166 D CB 0.055 40.646 40.800 -0.349 0.000 0.988 166 D HN 0.312 nan 8.370 nan 0.000 0.480 167 F N 0.138 120.127 119.950 0.065 0.000 2.546 167 F HA 0.389 4.917 4.527 0.000 0.000 0.320 167 F C -0.061 175.825 175.800 0.144 0.000 1.076 167 F CA -1.095 56.965 58.000 0.099 0.000 0.928 167 F CB 2.065 41.136 39.000 0.117 0.000 1.189 167 F HN -0.431 nan 8.300 nan 0.000 0.465 168 V N 3.898 124.005 119.914 0.321 0.000 2.409 168 V HA 0.457 4.577 4.120 0.001 0.000 0.291 168 V C -0.258 175.933 176.094 0.161 0.000 1.020 168 V CA -0.694 61.777 62.300 0.285 0.000 0.848 168 V CB 1.529 33.462 31.823 0.182 0.000 0.990 168 V HN 0.680 nan 8.190 nan 0.000 0.430 169 M N 6.208 125.877 119.600 0.115 0.000 2.268 169 M HA 0.602 5.082 4.480 0.001 0.000 0.344 169 M C -1.172 175.122 176.300 -0.010 0.000 1.106 169 M CA -0.373 54.943 55.300 0.026 0.000 1.010 169 M CB 1.847 34.444 32.600 -0.005 0.000 1.649 169 M HN 0.393 nan 8.290 nan 0.000 0.443 170 L N 4.692 125.902 121.223 -0.021 0.000 2.372 170 L HA 0.505 4.845 4.340 0.001 0.000 0.273 170 L C -1.140 175.713 176.870 -0.028 0.000 0.989 170 L CA -0.746 54.080 54.840 -0.023 0.000 0.841 170 L CB 1.764 43.812 42.059 -0.020 0.000 1.225 170 L HN 0.538 nan 8.230 nan 0.000 0.414 171 L N 3.988 125.186 121.223 -0.042 0.000 2.272 171 L HA 0.440 4.780 4.340 0.001 0.000 0.289 171 L C -0.269 176.554 176.870 -0.079 0.000 1.032 171 L CA -0.031 54.774 54.840 -0.058 0.000 0.810 171 L CB 1.352 43.367 42.059 -0.074 0.000 1.205 171 L HN 0.718 nan 8.230 nan 0.000 0.422 172 C N 6.225 125.483 119.300 -0.071 0.000 2.394 172 C HA 0.334 4.794 4.460 0.001 0.000 0.362 172 C C 1.449 176.360 174.990 -0.130 0.000 1.268 172 C CA -0.541 58.430 59.018 -0.079 0.000 1.828 172 C CB -0.945 26.761 27.740 -0.056 0.000 2.442 172 C HN 1.002 nan 8.230 nan 0.000 0.549 173 L N 3.693 124.798 121.223 -0.197 0.000 2.253 173 L HA 0.311 4.651 4.340 0.001 0.000 0.205 173 L C 1.291 178.084 176.870 -0.128 0.000 1.078 173 L CA 0.532 55.201 54.840 -0.285 0.000 0.805 173 L CB -0.234 41.402 42.059 -0.706 0.000 0.963 173 L HN 0.654 nan 8.230 nan 0.000 0.459 174 R N 0.342 120.833 120.500 -0.015 0.000 2.533 174 R HA 0.559 4.899 4.340 0.001 0.000 0.288 174 R C -0.928 175.393 176.300 0.036 0.000 1.039 174 R CA -0.378 55.755 56.100 0.055 0.000 0.909 174 R CB 1.784 32.190 30.300 0.177 0.000 1.195 174 R HN 0.018 nan 8.270 nan 0.000 0.438 175 A N 2.566 125.383 122.820 -0.006 0.000 2.366 175 A HA 0.097 4.418 4.320 0.001 0.000 0.249 175 A C -0.375 177.178 177.584 -0.051 0.000 1.084 175 A CA -0.166 51.843 52.037 -0.047 0.000 0.794 175 A CB 0.344 19.309 19.000 -0.059 0.000 1.034 175 A HN 0.801 nan 8.150 nan 0.000 0.491 176 D N 1.564 121.892 120.400 -0.120 0.000 2.389 176 D HA 0.129 4.769 4.640 0.001 0.000 0.263 176 D C -1.190 175.062 176.300 -0.079 0.000 1.255 176 D CA -1.299 52.611 54.000 -0.149 0.000 0.914 176 D CB 0.728 41.339 40.800 -0.317 0.000 1.116 176 D HN 0.194 nan 8.370 nan 0.000 0.502 177 P HA -0.115 nan 4.420 nan 0.000 0.226 177 P C 1.035 178.330 177.300 -0.009 0.000 1.153 177 P CA 0.880 63.972 63.100 -0.013 0.000 0.777 177 P CB -0.051 31.652 31.700 0.006 0.000 0.794 178 T N -4.789 109.763 114.554 -0.003 0.000 3.067 178 T HA 0.224 4.574 4.350 0.001 0.000 0.261 178 T C 1.672 176.374 174.700 0.003 0.000 1.110 178 T CA 0.981 63.090 62.100 0.015 0.000 1.113 178 T CB -1.012 67.889 68.868 0.056 0.000 0.917 178 T HN 0.224 nan 8.240 nan 0.000 0.499 179 G N 1.515 110.300 108.800 -0.025 0.000 2.179 179 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 179 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 179 G C 1.071 175.956 174.900 -0.026 0.000 0.977 179 G CA 0.365 45.447 45.100 -0.030 0.000 0.641 179 G HN 0.561 nan 8.290 nan 0.000 0.533 180 R N 0.172 120.665 120.500 -0.011 0.000 2.237 180 R HA 0.500 4.840 4.340 0.001 0.000 0.195 180 R C 1.503 177.796 176.300 -0.010 0.000 0.956 180 R CA 0.667 56.779 56.100 0.020 0.000 1.029 180 R CB 0.342 30.694 30.300 0.086 0.000 0.972 180 R HN 0.543 nan 8.270 nan 0.000 0.493 181 A N 1.287 124.024 122.820 -0.138 0.000 2.366 181 A HA 0.579 4.899 4.320 0.001 0.000 0.272 181 A C 0.024 177.499 177.584 -0.183 0.000 1.135 181 A CA -0.007 51.871 52.037 -0.264 0.000 0.804 181 A CB 0.789 19.298 19.000 -0.818 0.000 1.064 181 A HN 0.291 nan 8.150 nan 0.000 0.499 182 G N 1.043 109.779 108.800 -0.107 0.000 2.682 182 G HA2 0.529 4.490 3.960 0.001 0.000 0.300 182 G HA3 0.529 4.490 3.960 0.001 0.000 0.300 182 G C -1.124 173.757 174.900 -0.033 0.000 1.391 182 G CA -0.663 44.389 45.100 -0.079 0.000 0.990 182 G HN 0.939 nan 8.290 nan 0.000 0.501 183 L N 1.328 122.541 121.223 -0.017 0.000 2.410 183 L HA 0.538 4.878 4.340 0.001 0.000 0.273 183 L C 0.361 177.277 176.870 0.077 0.000 1.152 183 L CA -0.056 54.806 54.840 0.038 0.000 0.855 183 L CB 0.260 42.344 42.059 0.042 0.000 1.129 183 L HN 0.484 nan 8.230 nan 0.000 0.463 184 R N 3.212 123.771 120.500 0.099 0.000 2.494 184 R HA 0.578 4.919 4.340 0.001 0.000 0.305 184 R C -0.809 175.655 176.300 0.273 0.000 0.959 184 R CA -0.522 55.684 56.100 0.177 0.000 0.864 184 R CB 1.591 31.980 30.300 0.149 0.000 1.159 184 R HN 0.781 nan 8.270 nan 0.000 0.446 185 T N -1.047 113.640 114.554 0.223 0.000 2.861 185 T HA 0.770 5.120 4.350 0.001 0.000 0.287 185 T C -0.615 174.098 174.700 0.022 0.000 1.003 185 T CA -0.907 61.278 62.100 0.141 0.000 0.977 185 T CB 2.076 70.994 68.868 0.084 0.000 0.996 185 T HN 0.605 nan 8.240 nan 0.000 0.448 186 A N 1.611 124.322 122.820 -0.182 0.000 2.381 186 A HA 0.693 5.014 4.320 0.001 0.000 0.299 186 A C -0.281 177.139 177.584 -0.273 0.000 1.049 186 A CA -0.883 50.973 52.037 -0.301 0.000 0.715 186 A CB 1.104 19.709 19.000 -0.658 0.000 1.222 186 A HN 1.164 nan 8.150 nan 0.000 0.428 187 C N 2.607 121.850 119.300 -0.095 0.000 2.341 187 C HA 0.465 4.925 4.460 0.001 0.000 0.338 187 C C 1.897 176.905 174.990 0.029 0.000 1.257 187 C CA 0.025 59.012 59.018 -0.052 0.000 1.883 187 C CB 0.686 28.401 27.740 -0.043 0.000 2.334 187 C HN 1.046 nan 8.230 nan 0.000 0.524 188 V N 6.377 126.315 119.914 0.039 0.000 2.568 188 V HA -0.150 3.970 4.120 0.001 0.000 0.253 188 V C 2.393 178.486 176.094 -0.001 0.000 1.072 188 V CA 2.116 64.446 62.300 0.049 0.000 1.084 188 V CB -0.617 31.203 31.823 -0.005 0.000 0.676 188 V HN 0.979 nan 8.190 nan 0.000 0.469 189 R N -0.680 119.813 120.500 -0.012 0.000 2.120 189 R HA -0.062 4.278 4.340 0.001 0.000 0.234 189 R C 2.405 178.699 176.300 -0.011 0.000 1.123 189 R CA 1.176 57.266 56.100 -0.016 0.000 0.975 189 R CB -0.300 29.985 30.300 -0.025 0.000 0.866 189 R HN 0.391 nan 8.270 nan 0.000 0.446 190 R N 0.277 120.776 120.500 -0.002 0.000 2.119 190 R HA -0.042 4.298 4.340 0.001 0.000 0.222 190 R C 2.296 178.597 176.300 0.001 0.000 1.088 190 R CA 1.284 57.388 56.100 0.007 0.000 0.984 190 R CB -0.425 29.887 30.300 0.020 0.000 0.884 190 R HN 0.302 nan 8.270 nan 0.000 0.447 191 V N -1.786 118.121 119.914 -0.011 0.000 2.949 191 V HA 0.025 4.146 4.120 0.001 0.000 0.245 191 V C 2.138 178.139 176.094 -0.154 0.000 1.086 191 V CA 0.430 62.684 62.300 -0.077 0.000 1.097 191 V CB -0.634 31.129 31.823 -0.100 0.000 0.762 191 V HN -0.001 nan 8.190 nan 0.000 0.470 192 L N 1.800 122.960 121.223 -0.105 0.000 2.021 192 L HA -0.019 4.321 4.340 0.001 0.000 0.215 192 L C -0.077 176.737 176.870 -0.092 0.000 1.074 192 L CA 2.812 57.591 54.840 -0.101 0.000 0.760 192 L CB -1.711 40.322 42.059 -0.044 0.000 0.889 192 L HN 0.324 nan 8.230 nan 0.000 0.433 193 P HA -0.085 nan 4.420 nan 0.000 0.230 193 P C 1.600 178.855 177.300 -0.075 0.000 1.158 193 P CA 1.219 64.290 63.100 -0.049 0.000 0.769 193 P CB -0.008 31.677 31.700 -0.024 0.000 0.807 194 L N -2.385 118.755 121.223 -0.138 0.000 2.554 194 L HA 0.138 4.478 4.340 0.001 0.000 0.225 194 L C 1.039 177.710 176.870 -0.331 0.000 1.104 194 L CA -0.109 54.626 54.840 -0.176 0.000 0.866 194 L CB -0.344 41.634 42.059 -0.135 0.000 1.047 194 L HN -0.071 nan 8.230 nan 0.000 0.468 195 L N 0.572 121.572 121.223 -0.372 0.000 2.417 195 L HA 0.149 4.489 4.340 0.001 0.000 0.268 195 L C 0.942 177.727 176.870 -0.142 0.000 1.158 195 L CA -0.264 54.370 54.840 -0.343 0.000 0.819 195 L CB 0.986 42.874 42.059 -0.284 0.000 1.112 195 L HN 0.164 nan 8.230 nan 0.000 0.458 196 S N -0.090 115.561 115.700 -0.082 0.000 2.585 196 S HA 0.046 4.516 4.470 0.001 0.000 0.273 196 S C 0.578 175.171 174.600 -0.012 0.000 1.339 196 S CA -0.773 57.412 58.200 -0.026 0.000 1.028 196 S CB 1.129 64.329 63.200 0.001 0.000 0.906 196 S HN 0.584 nan 8.310 nan 0.000 0.528 197 D N 1.765 122.167 120.400 0.003 0.000 2.123 197 D HA -0.130 4.510 4.640 0.001 0.000 0.196 197 D C 2.312 178.631 176.300 0.032 0.000 0.992 197 D CA 1.998 56.010 54.000 0.019 0.000 0.833 197 D CB -0.699 40.110 40.800 0.015 0.000 0.954 197 D HN 0.758 nan 8.370 nan 0.000 0.455 198 S N -0.541 115.174 115.700 0.025 0.000 2.382 198 S HA -0.136 4.334 4.470 0.001 0.000 0.228 198 S C 2.094 176.719 174.600 0.043 0.000 1.027 198 S CA 1.490 59.710 58.200 0.033 0.000 0.991 198 S CB -0.740 62.474 63.200 0.023 0.000 0.823 198 S HN 0.117 nan 8.310 nan 0.000 0.469 199 T N 2.309 116.879 114.554 0.027 0.000 2.737 199 T HA 0.000 4.351 4.350 0.001 0.000 0.265 199 T C 1.939 176.655 174.700 0.026 0.000 1.038 199 T CA 1.409 63.521 62.100 0.019 0.000 1.144 199 T CB -0.577 68.279 68.868 -0.020 0.000 0.866 199 T HN 0.278 nan 8.240 nan 0.000 0.434 200 V N 2.096 122.029 119.914 0.030 0.000 2.287 200 V HA -0.194 3.926 4.120 0.001 0.000 0.248 200 V C 2.382 178.608 176.094 0.221 0.000 1.053 200 V CA 1.833 64.185 62.300 0.088 0.000 1.027 200 V CB -0.626 31.267 31.823 0.117 0.000 0.646 200 V HN 0.411 nan 8.190 nan 0.000 0.447 201 D N 0.400 120.911 120.400 0.184 0.000 2.123 201 D HA -0.163 4.478 4.640 0.001 0.000 0.196 201 D C 2.220 178.643 176.300 0.206 0.000 0.992 201 D CA 1.758 55.877 54.000 0.199 0.000 0.833 201 D CB -0.410 40.454 40.800 0.106 0.000 0.954 201 D HN 0.450 nan 8.370 nan 0.000 0.455 202 A N 0.512 123.426 122.820 0.156 0.000 1.902 202 A HA -0.121 4.199 4.320 0.001 0.000 0.217 202 A C 2.369 180.142 177.584 0.315 0.000 1.181 202 A CA 0.941 53.088 52.037 0.183 0.000 0.623 202 A CB -0.764 18.329 19.000 0.154 0.000 0.818 202 A HN 0.239 nan 8.150 nan 0.000 0.443 203 L N -2.871 118.459 121.223 0.178 0.000 2.275 203 L HA -0.144 4.196 4.340 0.001 0.000 0.215 203 L C 2.190 178.997 176.870 -0.105 0.000 1.119 203 L CA 0.629 55.444 54.840 -0.041 0.000 0.790 203 L CB -0.337 41.539 42.059 -0.305 0.000 0.919 203 L HN 0.607 nan 8.230 nan 0.000 0.443 204 W N 0.074 121.422 121.300 0.080 0.000 3.047 204 W HA 0.201 4.861 4.660 0.001 0.000 0.250 204 W C 1.260 177.834 176.519 0.092 0.000 1.314 204 W CA -0.250 57.129 57.345 0.057 0.000 1.540 204 W CB 0.090 29.565 29.460 0.024 0.000 1.127 204 W HN -0.054 nan 8.180 nan 0.000 0.679 205 A N 1.925 124.942 122.820 0.328 0.000 2.316 205 A HA 0.352 4.673 4.320 0.001 0.000 0.284 205 A C -2.093 175.619 177.584 0.213 0.000 1.115 205 A CA -1.432 50.736 52.037 0.218 0.000 0.812 205 A CB 0.054 19.132 19.000 0.129 0.000 1.064 205 A HN -0.110 nan 8.150 nan 0.000 0.489 206 P HA 0.166 nan 4.420 nan 0.000 0.230 206 P C -0.579 176.728 177.300 0.010 0.000 1.791 206 P CA 0.457 63.620 63.100 0.105 0.000 1.020 206 P CB -0.222 31.518 31.700 0.067 0.000 1.977 207 E N 0.719 120.860 120.200 -0.099 0.000 2.887 207 E HA 0.228 4.579 4.350 0.001 0.000 0.206 207 E C -0.750 175.384 176.600 -0.776 0.000 0.983 207 E CA -0.177 55.965 56.400 -0.431 0.000 1.141 207 E CB 0.247 29.635 29.700 -0.520 0.000 1.061 207 E HN 0.305 nan 8.360 nan 0.000 0.468 208 F N 0.604 120.548 119.950 -0.011 0.000 2.561 208 F HA 0.438 4.965 4.527 0.000 0.000 0.313 208 F C -0.034 175.758 175.800 -0.013 0.000 1.126 208 F CA -0.997 56.994 58.000 -0.014 0.000 0.918 208 F CB 1.710 40.696 39.000 -0.022 0.000 1.199 208 F HN -0.212 nan 8.300 nan 0.000 0.444 209 R N 1.357 121.940 120.500 0.138 0.000 2.360 209 R HA 0.596 4.936 4.340 0.001 0.000 0.318 209 R C -1.357 174.985 176.300 0.069 0.000 0.950 209 R CA -0.300 55.845 56.100 0.075 0.000 0.837 209 R CB 1.350 31.668 30.300 0.030 0.000 1.165 209 R HN 0.740 nan 8.270 nan 0.000 0.458 210 T N 3.540 118.129 114.554 0.059 0.000 3.053 210 T HA 0.357 4.707 4.350 0.001 0.000 0.363 210 T C -0.182 174.534 174.700 0.027 0.000 1.239 210 T CA -0.451 61.675 62.100 0.044 0.000 1.071 210 T CB 1.151 70.054 68.868 0.057 0.000 1.089 210 T HN 0.672 nan 8.240 nan 0.000 0.527 211 A N 4.593 127.400 122.820 -0.021 0.000 2.351 211 A HA 0.676 4.996 4.320 0.001 0.000 0.257 211 A C -2.175 175.289 177.584 -0.199 0.000 1.087 211 A CA -1.362 50.635 52.037 -0.067 0.000 0.798 211 A CB -0.174 18.788 19.000 -0.064 0.000 1.033 211 A HN 0.426 nan 8.150 nan 0.000 0.488 212 P HA 0.318 nan 4.420 nan 0.000 0.272 212 P C -2.486 174.467 177.300 -0.578 0.000 1.223 212 P CA -0.876 61.695 63.100 -0.881 0.000 0.784 212 P CB -0.375 30.949 31.700 -0.627 0.000 0.923 213 P HA 0.119 nan 4.420 nan 0.000 0.272 213 P C -1.869 175.392 177.300 -0.065 0.000 1.230 213 P CA -1.183 61.779 63.100 -0.230 0.000 0.788 213 P CB -0.707 30.932 31.700 -0.102 0.000 0.949 214 P HA -0.164 nan 4.420 nan 0.000 0.217 214 P C 1.272 178.602 177.300 0.050 0.000 1.148 214 P CA 1.581 64.691 63.100 0.016 0.000 0.828 214 P CB -0.207 31.503 31.700 0.017 0.000 0.783 215 S N -1.547 114.203 115.700 0.083 0.000 2.419 215 S HA -0.086 4.384 4.470 0.001 0.000 0.233 215 S C 1.054 175.637 174.600 -0.029 0.000 1.016 215 S CA 0.953 59.173 58.200 0.033 0.000 0.974 215 S CB -0.954 62.264 63.200 0.030 0.000 0.786 215 S HN 0.187 nan 8.310 nan 0.000 0.492 216 F N 1.564 121.505 119.950 -0.015 0.000 2.696 216 F HA 0.373 4.900 4.527 0.000 0.000 0.296 216 F C 0.703 176.513 175.800 0.017 0.000 1.181 216 F CA -0.283 57.736 58.000 0.031 0.000 1.411 216 F CB -0.302 38.711 39.000 0.021 0.000 1.014 216 F HN 0.067 nan 8.300 nan 0.000 0.512 225 P HA 0.554 nan 4.420 nan 0.000 0.268 225 P C -0.190 177.142 177.300 0.054 0.000 1.204 225 P CA 0.431 63.549 63.100 0.030 0.000 0.768 225 P CB 1.154 32.853 31.700 -0.002 0.000 0.842 226 A N 4.062 126.943 122.820 0.102 0.000 2.594 226 A HA 0.766 5.086 4.320 0.001 0.000 0.291 226 A C -2.967 174.741 177.584 0.205 0.000 1.105 226 A CA -1.746 50.357 52.037 0.111 0.000 0.694 226 A CB 0.950 19.988 19.000 0.062 0.000 1.291 226 A HN 0.278 nan 8.150 nan 0.000 0.410 227 P HA 0.342 nan 4.420 nan 0.000 0.274 227 P C 0.629 177.881 177.300 -0.080 0.000 1.246 227 P CA -0.262 62.926 63.100 0.147 0.000 0.795 227 P CB 0.775 32.539 31.700 0.107 0.000 1.006 228 V N 0.800 120.498 119.914 -0.359 0.000 2.500 228 V HA -0.019 4.101 4.120 0.001 0.000 0.243 228 V C 1.127 176.958 176.094 -0.438 0.000 1.039 228 V CA 1.174 63.174 62.300 -0.499 0.000 1.053 228 V CB -0.508 30.832 31.823 -0.804 0.000 0.695 228 V HN 0.361 nan 8.190 nan 0.000 0.463 229 L N 0.965 121.820 121.223 -0.613 0.000 2.350 229 L HA 0.480 4.820 4.340 0.001 0.000 0.275 229 L C -0.791 175.656 176.870 -0.706 0.000 1.099 229 L CA 0.044 54.347 54.840 -0.895 0.000 0.808 229 L CB 1.077 42.074 42.059 -1.770 0.000 1.149 229 L HN 0.137 nan 8.230 nan 0.000 0.442 230 L N 1.911 122.890 121.223 -0.407 0.000 2.409 230 L HA 0.777 5.117 4.340 0.001 0.000 0.262 230 L C 0.535 177.508 176.870 0.171 0.000 0.992 230 L CA -0.431 54.402 54.840 -0.012 0.000 0.817 230 L CB 1.875 43.907 42.059 -0.043 0.000 1.350 230 L HN 0.841 nan 8.230 nan 0.000 0.411 231 G N 2.145 111.117 108.800 0.286 0.000 2.520 231 G HA2 -0.283 3.677 3.960 0.001 0.000 0.248 231 G HA3 -0.283 3.677 3.960 0.001 0.000 0.248 231 G C -0.515 174.535 174.900 0.250 0.000 1.161 231 G CA 0.245 45.466 45.100 0.201 0.000 0.946 231 G HN 0.780 nan 8.290 nan 0.000 0.565 232 D N 0.321 120.827 120.400 0.175 0.000 2.372 232 D HA 0.500 5.140 4.640 0.001 0.000 0.243 232 D C 1.837 178.259 176.300 0.203 0.000 1.121 232 D CA -0.249 53.820 54.000 0.115 0.000 0.898 232 D CB 0.580 41.421 40.800 0.068 0.000 1.202 232 D HN 0.377 nan 8.370 nan 0.000 0.428 233 R N 1.382 121.908 120.500 0.044 0.000 2.148 233 R HA -0.061 4.279 4.340 0.001 0.000 0.223 233 R C 1.872 178.269 176.300 0.160 0.000 1.088 233 R CA 1.103 57.230 56.100 0.046 0.000 0.985 233 R CB -0.414 29.770 30.300 -0.193 0.000 0.880 233 R HN 0.619 nan 8.270 nan 0.000 0.451 234 S N -0.647 115.107 115.700 0.089 0.000 2.456 234 S HA -0.020 4.451 4.470 0.001 0.000 0.224 234 S C 0.684 175.326 174.600 0.070 0.000 1.035 234 S CA 0.248 58.490 58.200 0.070 0.000 0.940 234 S CB 0.362 63.580 63.200 0.031 0.000 0.799 234 S HN 0.045 nan 8.310 nan 0.000 0.508 235 D N 2.863 123.308 120.400 0.075 0.000 2.749 235 D HA 0.413 5.053 4.640 0.001 0.000 0.338 235 D C -2.791 173.546 176.300 0.062 0.000 1.236 235 D CA -2.195 51.834 54.000 0.049 0.000 0.845 235 D CB 1.070 41.885 40.800 0.026 0.000 1.080 235 D HN 0.208 nan 8.370 nan 0.000 0.497 236 P HA 0.220 nan 4.420 nan 0.000 0.274 236 P C -0.197 177.087 177.300 -0.027 0.000 1.237 236 P CA -0.293 62.849 63.100 0.070 0.000 0.793 236 P CB 1.335 33.041 31.700 0.010 0.000 0.977 237 D N 0.096 120.468 120.400 -0.048 0.000 2.387 237 D HA 0.472 5.112 4.640 0.001 0.000 0.251 237 D C 0.285 176.496 176.300 -0.148 0.000 1.141 237 D CA -0.068 53.877 54.000 -0.091 0.000 0.987 237 D CB 0.577 41.328 40.800 -0.082 0.000 1.116 237 D HN 0.351 nan 8.370 nan 0.000 0.491 238 L N -2.275 118.862 121.223 -0.143 0.000 2.359 238 L HA 0.740 5.081 4.340 0.001 0.000 0.256 238 L C -0.973 175.811 176.870 -0.144 0.000 1.026 238 L CA -1.024 53.712 54.840 -0.174 0.000 0.828 238 L CB 2.614 44.579 42.059 -0.157 0.000 1.406 238 L HN 0.228 nan 8.230 nan 0.000 0.413 239 R N 1.992 122.398 120.500 -0.157 0.000 2.575 239 R HA 0.752 5.093 4.340 0.001 0.000 0.292 239 R C -2.313 173.914 176.300 -0.123 0.000 1.246 239 R CA -0.372 55.653 56.100 -0.125 0.000 0.973 239 R CB 1.967 32.196 30.300 -0.118 0.000 1.187 239 R HN 0.693 nan 8.270 nan 0.000 0.478 240 V N 2.997 122.865 119.914 -0.077 0.000 3.077 240 V HA 0.453 4.574 4.120 0.001 0.000 0.299 240 V C -2.012 174.094 176.094 0.019 0.000 1.276 240 V CA -0.615 61.657 62.300 -0.048 0.000 0.993 240 V CB 2.382 34.174 31.823 -0.052 0.000 1.076 240 V HN 0.785 nan 8.190 nan 0.000 0.434 241 D N 4.396 124.820 120.400 0.040 0.000 2.575 241 D HA 0.334 4.975 4.640 0.001 0.000 0.250 241 D C 0.623 176.965 176.300 0.069 0.000 1.279 241 D CA -0.347 53.697 54.000 0.073 0.000 0.925 241 D CB 1.956 42.775 40.800 0.032 0.000 1.261 241 D HN 0.498 nan 8.370 nan 0.000 0.567 242 L N 2.430 123.721 121.223 0.113 0.000 2.456 242 L HA -0.028 4.312 4.340 0.001 0.000 0.224 242 L C 2.179 179.083 176.870 0.056 0.000 1.148 242 L CA 0.947 55.854 54.840 0.112 0.000 0.825 242 L CB -0.051 42.121 42.059 0.188 0.000 0.937 242 L HN 0.424 nan 8.230 nan 0.000 0.450 243 A N -0.571 122.255 122.820 0.011 0.000 1.943 243 A HA 0.188 4.508 4.320 0.001 0.000 0.213 243 A C 2.331 179.893 177.584 -0.036 0.000 1.181 243 A CA 1.134 53.151 52.037 -0.034 0.000 0.653 243 A CB -0.188 18.751 19.000 -0.101 0.000 0.833 243 A HN 0.319 nan 8.150 nan 0.000 0.451 244 A N -1.277 121.522 122.820 -0.035 0.000 2.035 244 A HA 0.296 4.617 4.320 0.001 0.000 0.208 244 A C 1.137 178.721 177.584 0.001 0.000 1.206 244 A CA 0.781 52.797 52.037 -0.035 0.000 0.773 244 A CB -0.507 18.457 19.000 -0.060 0.000 0.878 244 A HN 0.262 nan 8.150 nan 0.000 0.469 245 T N 2.495 117.066 114.554 0.028 0.000 2.853 245 T HA 0.249 4.599 4.350 0.001 0.000 0.298 245 T C -0.447 174.304 174.700 0.086 0.000 0.978 245 T CA 0.280 62.419 62.100 0.064 0.000 1.152 245 T CB 0.379 69.289 68.868 0.070 0.000 0.914 245 T HN 0.268 nan 8.240 nan 0.000 0.539 246 E N 4.893 125.146 120.200 0.088 0.000 2.151 246 E HA 0.294 4.644 4.350 0.001 0.000 0.275 246 E C -2.320 174.327 176.600 0.079 0.000 0.936 246 E CA -2.488 53.951 56.400 0.066 0.000 0.777 246 E CB 1.609 31.324 29.700 0.026 0.000 1.108 246 E HN 0.370 nan 8.360 nan 0.000 0.401 247 P HA 0.104 nan 4.420 nan 0.000 0.275 247 P C 0.529 177.760 177.300 -0.116 0.000 1.227 247 P CA -0.229 62.835 63.100 -0.061 0.000 0.781 247 P CB 1.278 32.963 31.700 -0.025 0.000 0.906 248 V N 1.498 121.285 119.914 -0.212 0.000 3.590 248 V HA 0.048 4.168 4.120 0.001 0.000 0.265 248 V C 1.318 177.328 176.094 -0.140 0.000 1.239 248 V CA 1.497 63.708 62.300 -0.148 0.000 1.117 248 V CB -0.125 31.611 31.823 -0.145 0.000 0.818 248 V HN 0.759 nan 8.190 nan 0.000 0.451 249 T N -3.943 110.502 114.554 -0.181 0.000 2.887 249 T HA 0.455 4.805 4.350 0.001 0.000 0.292 249 T C 0.564 175.202 174.700 -0.103 0.000 1.087 249 T CA -0.252 61.770 62.100 -0.130 0.000 1.009 249 T CB 2.484 71.267 68.868 -0.141 0.000 1.203 249 T HN -0.066 nan 8.240 nan 0.000 0.518 250 E N 0.769 120.930 120.200 -0.065 0.000 2.106 250 E HA -0.120 4.231 4.350 0.001 0.000 0.192 250 E C 2.233 178.813 176.600 -0.033 0.000 0.984 250 E CA 1.731 58.107 56.400 -0.040 0.000 0.806 250 E CB -0.252 29.432 29.700 -0.026 0.000 0.750 250 E HN 0.728 nan 8.360 nan 0.000 0.458 251 R N 0.142 120.618 120.500 -0.040 0.000 2.096 251 R HA 0.031 4.371 4.340 0.001 0.000 0.235 251 R C 2.277 178.571 176.300 -0.009 0.000 1.127 251 R CA 1.446 57.536 56.100 -0.018 0.000 0.968 251 R CB -0.693 29.599 30.300 -0.013 0.000 0.861 251 R HN 0.124 nan 8.270 nan 0.000 0.440 252 A N 1.643 124.408 122.820 -0.091 0.000 1.902 252 A HA -0.016 4.304 4.320 0.001 0.000 0.217 252 A C 2.580 180.205 177.584 0.069 0.000 1.181 252 A CA 1.610 53.568 52.037 -0.131 0.000 0.623 252 A CB -0.869 17.735 19.000 -0.658 0.000 0.818 252 A HN 0.552 nan 8.150 nan 0.000 0.443 253 A N -0.360 122.464 122.820 0.007 0.000 1.883 253 A HA -0.218 4.102 4.320 0.001 0.000 0.217 253 A C 2.049 179.666 177.584 0.054 0.000 1.186 253 A CA 1.911 53.973 52.037 0.042 0.000 0.624 253 A CB -0.611 18.395 19.000 0.010 0.000 0.822 253 A HN 0.677 nan 8.150 nan 0.000 0.444 254 E N -0.230 119.993 120.200 0.038 0.000 2.077 254 E HA -0.135 4.215 4.350 0.001 0.000 0.193 254 E C 2.138 178.765 176.600 0.046 0.000 0.989 254 E CA 1.052 57.473 56.400 0.035 0.000 0.800 254 E CB -0.265 29.449 29.700 0.024 0.000 0.746 254 E HN 0.543 nan 8.360 nan 0.000 0.452 255 A N 1.019 123.884 122.820 0.075 0.000 1.902 255 A HA -0.166 4.155 4.320 0.001 0.000 0.217 255 A C 2.199 179.805 177.584 0.036 0.000 1.181 255 A CA 1.212 53.292 52.037 0.073 0.000 0.623 255 A CB -0.670 18.427 19.000 0.161 0.000 0.818 255 A HN 0.316 nan 8.150 nan 0.000 0.443 256 L N -1.215 120.063 121.223 0.092 0.000 2.083 256 L HA -0.181 4.159 4.340 0.001 0.000 0.209 256 L C 2.888 179.765 176.870 0.012 0.000 1.083 256 L CA 1.328 56.194 54.840 0.042 0.000 0.752 256 L CB -0.475 41.651 42.059 0.111 0.000 0.899 256 L HN 0.370 nan 8.230 nan 0.000 0.433 257 R N -0.170 120.348 120.500 0.029 0.000 2.081 257 R HA -0.197 4.143 4.340 0.001 0.000 0.235 257 R C 2.215 178.517 176.300 0.003 0.000 1.131 257 R CA 1.505 57.618 56.100 0.021 0.000 0.960 257 R CB -0.245 30.070 30.300 0.025 0.000 0.856 257 R HN 0.402 nan 8.270 nan 0.000 0.436 258 E N 0.696 120.899 120.200 0.006 0.000 2.106 258 E HA -0.185 4.166 4.350 0.001 0.000 0.192 258 E C 1.951 178.565 176.600 0.024 0.000 0.984 258 E CA 0.664 57.088 56.400 0.040 0.000 0.806 258 E CB 0.075 29.811 29.700 0.060 0.000 0.750 258 E HN 0.078 nan 8.360 nan 0.000 0.458 259 L N 1.402 122.544 121.223 -0.136 0.000 2.017 259 L HA -0.233 4.107 4.340 0.001 0.000 0.208 259 L C 2.505 179.058 176.870 -0.529 0.000 1.073 259 L CA 2.104 56.690 54.840 -0.424 0.000 0.745 259 L CB -0.725 41.038 42.059 -0.493 0.000 0.894 259 L HN 0.146 nan 8.230 nan 0.000 0.432 260 Q N -0.064 119.614 119.800 -0.204 0.000 2.061 260 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 260 Q C 2.126 178.147 176.000 0.035 0.000 0.984 260 Q CA 2.455 58.275 55.803 0.028 0.000 0.846 260 Q CB -0.650 28.160 28.738 0.120 0.000 0.902 260 Q HN 0.573 nan 8.270 nan 0.000 0.421 261 A N -0.515 122.289 122.820 -0.028 0.000 1.908 261 A HA -0.237 4.083 4.320 0.001 0.000 0.218 261 A C 1.849 179.344 177.584 -0.149 0.000 1.181 261 A CA 1.934 53.922 52.037 -0.082 0.000 0.627 261 A CB -0.995 17.913 19.000 -0.154 0.000 0.818 261 A HN 0.683 nan 8.150 nan 0.000 0.445 262 H N -2.255 116.743 119.070 -0.120 0.000 2.428 262 H HA 0.043 4.600 4.556 0.001 0.000 0.296 262 H C 1.694 176.985 175.328 -0.060 0.000 1.062 262 H CA 1.466 57.446 56.048 -0.114 0.000 1.350 262 H CB -0.168 29.488 29.762 -0.177 0.000 1.403 262 H HN 0.477 nan 8.280 nan 0.000 0.533 263 F N 0.710 120.606 119.950 -0.090 0.000 2.095 263 F HA -0.182 4.345 4.527 0.000 0.000 0.298 263 F C 2.283 177.920 175.800 -0.272 0.000 1.104 263 F CA 1.593 59.379 58.000 -0.356 0.000 1.232 263 F CB -0.847 37.722 39.000 -0.719 0.000 0.987 263 F HN 0.215 nan 8.300 nan 0.000 0.475 264 D N -0.340 120.155 120.400 0.159 0.000 2.117 264 D HA -0.138 4.502 4.640 0.001 0.000 0.197 264 D C 2.170 178.551 176.300 0.136 0.000 0.987 264 D CA 1.317 55.465 54.000 0.247 0.000 0.829 264 D CB -0.119 40.813 40.800 0.220 0.000 0.961 264 D HN 0.144 nan 8.370 nan 0.000 0.460 265 A N -0.705 122.153 122.820 0.063 0.000 1.968 265 A HA -0.045 4.275 4.320 0.001 0.000 0.217 265 A C 2.189 179.807 177.584 0.057 0.000 1.169 265 A CA 1.986 54.045 52.037 0.037 0.000 0.638 265 A CB -0.605 18.382 19.000 -0.021 0.000 0.812 265 A HN 0.419 nan 8.150 nan 0.000 0.446 266 T N -3.482 111.112 114.554 0.067 0.000 3.054 266 T HA 0.590 4.940 4.350 0.001 0.000 0.255 266 T C 0.672 175.403 174.700 0.052 0.000 1.035 266 T CA 0.413 62.548 62.100 0.060 0.000 0.941 266 T CB -0.229 68.678 68.868 0.066 0.000 1.026 266 T HN 0.551 nan 8.240 nan 0.000 0.533 267 A N 1.514 124.374 122.820 0.066 0.000 2.462 267 A HA 0.572 4.892 4.320 0.001 0.000 0.243 267 A C 0.233 177.877 177.584 0.101 0.000 1.076 267 A CA -0.372 51.716 52.037 0.085 0.000 0.773 267 A CB 0.177 19.315 19.000 0.230 0.000 1.010 267 A HN 0.373 nan 8.150 nan 0.000 0.493 268 V N 2.646 122.614 119.914 0.090 0.000 2.465 268 V HA 0.394 4.514 4.120 0.001 0.000 0.279 268 V C 0.448 176.613 176.094 0.118 0.000 1.045 268 V CA -0.138 62.214 62.300 0.086 0.000 0.938 268 V CB 1.346 33.205 31.823 0.059 0.000 0.986 268 V HN 0.922 nan 8.190 nan 0.000 0.467 269 T N 4.889 119.514 114.554 0.117 0.000 2.779 269 T HA 0.444 4.794 4.350 0.001 0.000 0.280 269 T C -0.662 174.139 174.700 0.168 0.000 0.987 269 T CA -0.276 61.898 62.100 0.124 0.000 0.966 269 T CB 0.384 69.310 68.868 0.096 0.000 0.933 269 T HN 0.789 nan 8.240 nan 0.000 0.442 270 H N 2.274 121.358 119.070 0.024 0.000 2.771 270 H HA 0.410 4.967 4.556 0.001 0.000 0.361 270 H C -0.656 174.667 175.328 -0.008 0.000 1.108 270 H CA -0.915 55.138 56.048 0.009 0.000 1.201 270 H CB 1.434 31.201 29.762 0.008 0.000 1.681 270 H HN 0.463 nan 8.280 nan 0.000 0.534 271 R N 6.077 126.269 120.500 -0.514 0.000 2.220 271 R HA 0.240 4.580 4.340 0.001 0.000 0.340 271 R C -0.582 175.257 176.300 -0.769 0.000 1.076 271 R CA -0.474 55.343 56.100 -0.472 0.000 0.920 271 R CB 0.062 30.204 30.300 -0.263 0.000 1.062 271 R HN 0.488 nan 8.270 nan 0.000 0.469 272 L N 5.534 126.477 121.223 -0.468 0.000 2.439 272 L HA 0.241 4.581 4.340 0.001 0.000 0.269 272 L C 0.003 176.764 176.870 -0.181 0.000 1.179 272 L CA -0.138 54.523 54.840 -0.298 0.000 0.828 272 L CB 0.657 42.642 42.059 -0.123 0.000 1.106 272 L HN 0.505 nan 8.230 nan 0.000 0.467 273 L N 2.895 124.065 121.223 -0.089 0.000 2.319 273 L HA 0.526 4.866 4.340 0.001 0.000 0.267 273 L C -2.317 174.533 176.870 -0.034 0.000 1.011 273 L CA -2.261 52.549 54.840 -0.050 0.000 0.818 273 L CB 1.760 43.809 42.059 -0.016 0.000 1.316 273 L HN 0.305 nan 8.230 nan 0.000 0.432 274 P HA 0.028 nan 4.420 nan 0.000 0.262 274 P C 0.645 177.922 177.300 -0.038 0.000 1.182 274 P CA 0.932 64.005 63.100 -0.045 0.000 0.761 274 P CB 0.514 32.192 31.700 -0.037 0.000 0.795 275 G N 1.650 110.419 108.800 -0.053 0.000 2.176 275 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 275 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 275 G C -0.069 174.817 174.900 -0.023 0.000 0.979 275 G CA -0.304 44.770 45.100 -0.044 0.000 0.641 275 G HN 0.560 nan 8.290 nan 0.000 0.530 276 E N -0.383 119.809 120.200 -0.013 0.000 2.249 276 E HA 0.587 4.938 4.350 0.001 0.000 0.280 276 E C -0.670 175.930 176.600 0.000 0.000 1.016 276 E CA -0.798 55.609 56.400 0.011 0.000 0.830 276 E CB 2.011 31.743 29.700 0.054 0.000 1.081 276 E HN 0.202 nan 8.360 nan 0.000 0.395 277 L N 2.509 123.734 121.223 0.003 0.000 2.342 277 L HA 0.495 4.835 4.340 0.001 0.000 0.276 277 L C -1.110 175.747 176.870 -0.023 0.000 0.997 277 L CA -0.410 54.425 54.840 -0.009 0.000 0.838 277 L CB 1.251 43.313 42.059 0.004 0.000 1.224 277 L HN 0.566 nan 8.230 nan 0.000 0.416 278 A N 6.470 129.278 122.820 -0.020 0.000 2.290 278 A HA 0.778 5.098 4.320 0.001 0.000 0.310 278 A C -0.577 176.977 177.584 -0.050 0.000 1.202 278 A CA -0.374 51.646 52.037 -0.028 0.000 0.837 278 A CB 0.238 19.242 19.000 0.007 0.000 1.139 278 A HN 0.695 nan 8.150 nan 0.000 0.509 279 I N 3.194 123.707 120.570 -0.096 0.000 2.410 279 I HA 0.318 4.489 4.170 0.001 0.000 0.286 279 I C -0.822 175.344 176.117 0.082 0.000 1.009 279 I CA -0.738 60.528 61.300 -0.057 0.000 1.111 279 I CB 1.928 39.794 38.000 -0.224 0.000 1.262 279 I HN 0.281 nan 8.210 nan 0.000 0.443 280 V N 4.511 124.538 119.914 0.189 0.000 2.398 280 V HA 0.206 4.327 4.120 0.001 0.000 0.286 280 V C -0.043 176.280 176.094 0.382 0.000 1.026 280 V CA -0.567 61.869 62.300 0.228 0.000 0.868 280 V CB 1.833 33.692 31.823 0.060 0.000 0.982 280 V HN 0.630 nan 8.190 nan 0.000 0.443 281 D N 3.820 124.454 120.400 0.391 0.000 2.374 281 D HA 0.034 4.675 4.640 0.001 0.000 0.240 281 D C 0.917 177.205 176.300 -0.021 0.000 1.229 281 D CA 0.122 54.230 54.000 0.180 0.000 0.895 281 D CB 0.524 41.380 40.800 0.094 0.000 1.046 281 D HN 0.544 nan 8.370 nan 0.000 0.498 282 N N 2.925 121.567 118.700 -0.096 0.000 2.550 282 N HA -0.055 4.685 4.740 0.001 0.000 0.186 282 N C 1.243 176.672 175.510 -0.134 0.000 1.110 282 N CA 0.504 53.503 53.050 -0.086 0.000 0.912 282 N CB 0.210 38.652 38.487 -0.076 0.000 0.968 282 N HN 0.222 nan 8.380 nan 0.000 0.448 283 R N -0.981 119.408 120.500 -0.185 0.000 2.153 283 R HA 0.064 4.405 4.340 0.001 0.000 0.218 283 R C 1.570 177.796 176.300 -0.123 0.000 1.072 283 R CA 1.132 57.135 56.100 -0.162 0.000 0.990 283 R CB 0.139 30.328 30.300 -0.185 0.000 0.889 283 R HN 0.282 nan 8.270 nan 0.000 0.452 284 V N -5.477 114.372 119.914 -0.109 0.000 3.451 284 V HA 0.374 4.494 4.120 0.001 0.000 0.288 284 V C 0.058 176.102 176.094 -0.082 0.000 1.502 284 V CA -0.206 62.042 62.300 -0.087 0.000 1.026 284 V CB 1.068 32.844 31.823 -0.077 0.000 0.840 284 V HN -0.086 nan 8.190 nan 0.000 0.437 285 T N 2.635 117.138 114.554 -0.086 0.000 2.879 285 T HA 0.670 5.020 4.350 0.001 0.000 0.290 285 T C -0.432 174.189 174.700 -0.133 0.000 0.993 285 T CA -0.166 61.871 62.100 -0.105 0.000 0.975 285 T CB 2.171 71.019 68.868 -0.033 0.000 0.981 285 T HN 0.586 nan 8.240 nan 0.000 0.439 286 V N 1.623 121.361 119.914 -0.294 0.000 2.863 286 V HA 0.775 4.895 4.120 0.001 0.000 0.307 286 V C -0.219 175.811 176.094 -0.108 0.000 1.061 286 V CA -0.685 61.429 62.300 -0.309 0.000 1.024 286 V CB 1.247 32.704 31.823 -0.610 0.000 1.049 286 V HN 1.042 nan 8.190 nan 0.000 0.471 287 H N 1.092 120.059 119.070 -0.173 0.000 2.928 287 H HA 0.915 5.471 4.556 0.000 0.000 0.371 287 H C -0.347 174.921 175.328 -0.101 0.000 1.186 287 H CA -0.329 55.694 56.048 -0.041 0.000 1.134 287 H CB 1.907 31.615 29.762 -0.091 0.000 1.824 287 H HN 1.092 nan 8.280 nan 0.000 0.554 288 G N 0.128 108.899 108.800 -0.049 0.000 2.782 288 G HA2 0.505 4.465 3.960 0.001 0.000 0.304 288 G HA3 0.505 4.465 3.960 0.001 0.000 0.304 288 G C -1.473 173.384 174.900 -0.072 0.000 1.315 288 G CA -1.048 43.913 45.100 -0.232 0.000 0.791 288 G HN 0.687 nan 8.290 nan 0.000 0.519 289 R N -0.189 120.251 120.500 -0.100 0.000 2.594 289 R HA 0.486 4.826 4.340 0.001 0.000 0.265 289 R C -0.159 176.133 176.300 -0.013 0.000 1.070 289 R CA -0.242 55.853 56.100 -0.008 0.000 0.909 289 R CB 1.670 32.019 30.300 0.082 0.000 1.243 289 R HN 0.943 nan 8.270 nan 0.000 0.455 290 T N -0.659 113.902 114.554 0.012 0.000 2.813 290 T HA 0.119 4.469 4.350 0.001 0.000 0.297 290 T C 0.394 175.179 174.700 0.141 0.000 1.036 290 T CA -0.604 61.520 62.100 0.040 0.000 1.044 290 T CB 1.109 69.998 68.868 0.035 0.000 0.993 290 T HN 0.591 nan 8.240 nan 0.000 0.535 291 E N 0.918 121.190 120.200 0.120 0.000 2.383 291 E HA 0.432 4.783 4.350 0.001 0.000 0.264 291 E C -0.839 175.919 176.600 0.264 0.000 1.050 291 E CA -0.832 55.656 56.400 0.147 0.000 0.896 291 E CB 0.333 30.063 29.700 0.050 0.000 0.982 291 E HN 0.651 nan 8.360 nan 0.000 0.424 292 F N -0.559 119.380 119.950 -0.018 0.000 2.662 292 F HA 0.472 5.000 4.527 0.001 0.000 0.312 292 F C -1.220 174.552 175.800 -0.047 0.000 1.113 292 F CA -1.090 56.891 58.000 -0.031 0.000 0.951 292 F CB 1.582 40.561 39.000 -0.035 0.000 1.344 292 F HN 0.089 nan 8.300 nan 0.000 0.462 293 T N 2.694 117.224 114.554 -0.040 0.000 2.853 293 T HA 0.427 4.777 4.350 0.001 0.000 0.317 293 T C -2.671 171.909 174.700 -0.200 0.000 1.059 293 T CA -1.178 60.817 62.100 -0.176 0.000 0.954 293 T CB 0.747 69.571 68.868 -0.073 0.000 0.994 293 T HN 0.301 nan 8.240 nan 0.000 0.479 294 P HA 0.273 nan 4.420 nan 0.000 0.269 294 P C 0.710 177.703 177.300 -0.513 0.000 1.215 294 P CA -0.431 62.345 63.100 -0.541 0.000 0.780 294 P CB 0.995 31.993 31.700 -1.171 0.000 0.898 295 R N 1.159 121.470 120.500 -0.314 0.000 2.127 295 R HA 0.012 4.352 4.340 0.001 0.000 0.217 295 R C 0.043 176.296 176.300 -0.078 0.000 1.074 295 R CA 0.376 56.385 56.100 -0.152 0.000 0.991 295 R CB -0.390 29.882 30.300 -0.046 0.000 0.895 295 R HN 0.470 nan 8.270 nan 0.000 0.450 296 Y N 1.120 121.424 120.300 0.007 0.000 3.305 296 Y HA -0.213 4.337 4.550 0.000 0.000 0.212 296 Y C 0.037 175.930 175.900 -0.012 0.000 1.248 296 Y CA 0.681 58.773 58.100 -0.013 0.000 1.359 296 Y CB -2.346 36.098 38.460 -0.026 0.000 1.407 296 Y HN 0.392 nan 8.280 nan 0.000 0.572 297 D N -1.964 118.497 120.400 0.101 0.000 2.513 297 D HA 0.425 5.065 4.640 0.001 0.000 0.222 297 D C 1.628 177.955 176.300 0.045 0.000 1.210 297 D CA 0.405 54.443 54.000 0.063 0.000 0.825 297 D CB 0.272 41.098 40.800 0.044 0.000 1.037 297 D HN 0.549 nan 8.370 nan 0.000 0.506 298 G N 0.536 109.363 108.800 0.044 0.000 2.175 298 G HA2 -0.312 3.648 3.960 0.001 0.000 0.244 298 G HA3 -0.312 3.648 3.960 0.001 0.000 0.244 298 G C 0.988 175.913 174.900 0.042 0.000 0.982 298 G CA 0.718 45.833 45.100 0.025 0.000 0.641 298 G HN 0.700 nan 8.290 nan 0.000 0.527 299 T N -2.067 112.515 114.554 0.046 0.000 3.054 299 T HA 0.353 4.703 4.350 0.001 0.000 0.255 299 T C 0.434 175.170 174.700 0.061 0.000 1.035 299 T CA 0.498 62.632 62.100 0.057 0.000 0.941 299 T CB 0.665 69.559 68.868 0.043 0.000 1.026 299 T HN 0.233 nan 8.240 nan 0.000 0.533 300 D N 2.181 122.615 120.400 0.056 0.000 2.361 300 D HA 0.096 4.737 4.640 0.001 0.000 0.239 300 D C 0.499 176.857 176.300 0.097 0.000 1.200 300 D CA -0.312 53.729 54.000 0.069 0.000 0.915 300 D CB 0.568 41.411 40.800 0.072 0.000 1.170 300 D HN 0.123 nan 8.370 nan 0.000 0.444 301 R N 0.969 121.510 120.500 0.067 0.000 2.523 301 R HA -0.120 4.220 4.340 0.001 0.000 0.281 301 R C -1.016 175.396 176.300 0.187 0.000 0.969 301 R CA 0.425 56.556 56.100 0.051 0.000 1.093 301 R CB 0.071 30.292 30.300 -0.131 0.000 0.917 301 R HN 0.449 nan 8.270 nan 0.000 0.408 302 W N 7.648 128.938 121.300 -0.017 0.000 2.728 302 W HA 0.333 4.994 4.660 0.001 0.000 0.324 302 W C -1.702 174.809 176.519 -0.014 0.000 1.012 302 W CA -1.130 56.216 57.345 0.002 0.000 1.279 302 W CB 0.383 29.846 29.460 0.006 0.000 1.289 302 W HN 0.444 nan 8.180 nan 0.000 0.418 303 L N 4.643 126.065 121.223 0.332 0.000 2.322 303 L HA 0.579 4.919 4.340 0.001 0.000 0.269 303 L C 0.244 177.201 176.870 0.144 0.000 1.012 303 L CA -1.135 53.776 54.840 0.118 0.000 0.815 303 L CB 1.915 44.020 42.059 0.076 0.000 1.295 303 L HN 0.220 nan 8.230 nan 0.000 0.438 304 Q N 1.439 121.234 119.800 -0.008 0.000 2.342 304 Q HA 0.552 4.892 4.340 0.001 0.000 0.267 304 Q C -1.106 174.874 176.000 -0.033 0.000 1.038 304 Q CA -0.772 55.030 55.803 -0.001 0.000 0.832 304 Q CB 3.319 32.015 28.738 -0.070 0.000 1.323 304 Q HN 0.407 nan 8.270 nan 0.000 0.448 305 R N 1.003 121.470 120.500 -0.054 0.000 2.599 305 R HA 0.582 4.922 4.340 0.001 0.000 0.295 305 R C -1.386 174.778 176.300 -0.227 0.000 0.963 305 R CA -0.144 55.885 56.100 -0.117 0.000 0.883 305 R CB 1.738 31.970 30.300 -0.114 0.000 1.171 305 R HN 0.562 nan 8.270 nan 0.000 0.450 306 T N 4.211 118.636 114.554 -0.214 0.000 2.916 306 T HA 0.447 4.798 4.350 0.001 0.000 0.298 306 T C -1.168 173.463 174.700 -0.114 0.000 1.031 306 T CA -0.431 61.527 62.100 -0.237 0.000 0.993 306 T CB 0.648 69.445 68.868 -0.118 0.000 1.045 306 T HN 0.248 nan 8.240 nan 0.000 0.454 307 F N 1.741 121.731 119.950 0.067 0.000 2.384 307 F HA 0.598 5.125 4.527 0.000 0.000 0.338 307 F C 0.319 176.158 175.800 0.065 0.000 1.103 307 F CA -1.266 56.790 58.000 0.094 0.000 1.157 307 F CB 0.757 39.841 39.000 0.140 0.000 1.167 307 F HN 0.131 nan 8.300 nan 0.000 0.529 308 V N 4.363 124.465 119.914 0.313 0.000 2.495 308 V HA 0.429 4.550 4.120 0.001 0.000 0.298 308 V C -0.266 175.937 176.094 0.182 0.000 1.031 308 V CA -0.865 61.567 62.300 0.220 0.000 0.871 308 V CB 1.878 33.866 31.823 0.276 0.000 0.988 308 V HN 0.499 nan 8.190 nan 0.000 0.432 309 L N 4.063 125.357 121.223 0.118 0.000 2.287 309 L HA 0.360 4.700 4.340 0.001 0.000 0.287 309 L C 1.549 178.463 176.870 0.074 0.000 1.022 309 L CA -0.349 54.532 54.840 0.068 0.000 0.814 309 L CB 1.890 43.968 42.059 0.031 0.000 1.217 309 L HN 0.893 nan 8.230 nan 0.000 0.420 310 T N -2.394 112.196 114.554 0.061 0.000 2.951 310 T HA -0.083 4.267 4.350 0.001 0.000 0.268 310 T C 0.519 175.246 174.700 0.045 0.000 1.073 310 T CA 0.636 62.781 62.100 0.076 0.000 1.134 310 T CB -0.001 68.898 68.868 0.053 0.000 0.884 310 T HN 0.450 nan 8.240 nan 0.000 0.479 311 D N 0.082 120.498 120.400 0.026 0.000 2.405 311 D HA 0.259 4.899 4.640 0.001 0.000 0.264 311 D C 0.614 176.910 176.300 -0.007 0.000 1.240 311 D CA -0.641 53.368 54.000 0.014 0.000 0.893 311 D CB 0.833 41.643 40.800 0.016 0.000 1.198 311 D HN 0.029 nan 8.370 nan 0.000 0.514 312 L N 3.193 124.410 121.223 -0.010 0.000 2.127 312 L HA -0.066 4.274 4.340 0.001 0.000 0.211 312 L C 2.121 178.942 176.870 -0.081 0.000 1.089 312 L CA 1.647 56.461 54.840 -0.043 0.000 0.757 312 L CB -0.234 41.812 42.059 -0.021 0.000 0.899 312 L HN 0.222 nan 8.230 nan 0.000 0.434 313 R N 0.076 120.543 120.500 -0.054 0.000 2.127 313 R HA -0.146 4.194 4.340 0.001 0.000 0.238 313 R C 2.280 178.536 176.300 -0.073 0.000 1.134 313 R CA 1.560 57.625 56.100 -0.058 0.000 0.975 313 R CB -0.371 29.912 30.300 -0.029 0.000 0.865 313 R HN 0.391 nan 8.270 nan 0.000 0.447 314 R N -0.444 120.014 120.500 -0.071 0.000 2.193 314 R HA -0.036 4.305 4.340 0.001 0.000 0.229 314 R C 1.440 177.606 176.300 -0.223 0.000 1.110 314 R CA 1.483 57.550 56.100 -0.056 0.000 0.988 314 R CB -0.107 30.218 30.300 0.041 0.000 0.871 314 R HN 0.345 nan 8.270 nan 0.000 0.458 315 S N -0.117 115.338 115.700 -0.409 0.000 2.572 315 S HA 0.125 4.595 4.470 0.001 0.000 0.228 315 S C 1.407 175.870 174.600 -0.228 0.000 0.963 315 S CA -0.456 57.392 58.200 -0.585 0.000 0.939 315 S CB 0.532 63.339 63.200 -0.655 0.000 0.804 315 S HN 0.055 nan 8.310 nan 0.000 0.480 316 R N 2.748 123.162 120.500 -0.142 0.000 2.117 316 R HA 0.031 4.371 4.340 0.001 0.000 0.243 316 R C 2.086 178.357 176.300 -0.048 0.000 1.143 316 R CA 1.867 57.914 56.100 -0.088 0.000 0.968 316 R CB -1.288 28.974 30.300 -0.064 0.000 0.863 316 R HN 0.505 nan 8.270 nan 0.000 0.444 317 A N -0.290 122.518 122.820 -0.021 0.000 2.070 317 A HA -0.098 4.223 4.320 0.001 0.000 0.220 317 A C 1.919 179.524 177.584 0.034 0.000 1.159 317 A CA 1.635 53.682 52.037 0.016 0.000 0.656 317 A CB -0.370 18.656 19.000 0.044 0.000 0.800 317 A HN 0.429 nan 8.150 nan 0.000 0.453 318 M N -1.257 118.362 119.600 0.032 0.000 2.428 318 M HA 0.143 4.624 4.480 0.001 0.000 0.239 318 M C -0.004 176.314 176.300 0.031 0.000 1.121 318 M CA 0.253 55.596 55.300 0.071 0.000 1.019 318 M CB 0.439 33.130 32.600 0.151 0.000 1.485 318 M HN 0.118 nan 8.290 nan 0.000 0.484 319 R N 1.173 121.662 120.500 -0.018 0.000 2.402 319 R HA 0.338 4.679 4.340 0.001 0.000 0.290 319 R C -2.635 173.639 176.300 -0.043 0.000 1.321 319 R CA -1.680 54.392 56.100 -0.047 0.000 1.283 319 R CB 0.489 30.726 30.300 -0.104 0.000 1.111 319 R HN -0.076 nan 8.270 nan 0.000 0.578 320 P HA -0.110 nan 4.420 nan 0.000 0.265 320 P C 0.218 177.500 177.300 -0.031 0.000 1.187 320 P CA 0.615 63.707 63.100 -0.014 0.000 0.766 320 P CB 0.780 32.482 31.700 0.002 0.000 0.820 321 A N 3.504 126.306 122.820 -0.029 0.000 2.816 321 A HA -0.257 4.064 4.320 0.001 0.000 0.270 321 A C 1.024 178.568 177.584 -0.066 0.000 1.413 321 A CA 1.237 53.253 52.037 -0.035 0.000 0.866 321 A CB -2.642 16.346 19.000 -0.020 0.000 1.032 321 A HN 0.658 nan 8.150 nan 0.000 0.642 322 D N -3.188 117.159 120.400 -0.089 0.000 2.772 322 D HA -0.081 4.560 4.640 0.001 0.000 0.233 322 D C 0.679 176.832 176.300 -0.246 0.000 1.143 322 D CA 2.363 56.276 54.000 -0.145 0.000 0.700 322 D CB -1.273 39.455 40.800 -0.119 0.000 1.076 322 D HN 1.687 nan 8.370 nan 0.000 0.430 323 G N -1.184 107.490 108.800 -0.210 0.000 2.510 323 G HA2 0.371 4.331 3.960 0.001 0.000 0.280 323 G HA3 0.371 4.331 3.960 0.001 0.000 0.280 323 G C 0.343 175.007 174.900 -0.393 0.000 1.386 323 G CA -0.404 44.537 45.100 -0.264 0.000 1.047 323 G HN 0.251 nan 8.290 nan 0.000 0.527 324 Y N -1.469 118.813 120.300 -0.030 0.000 2.467 324 Y HA 0.341 4.891 4.550 0.001 0.000 0.250 324 Y C 0.590 176.441 175.900 -0.082 0.000 1.155 324 Y CA -0.278 57.791 58.100 -0.051 0.000 1.249 324 Y CB 0.740 39.181 38.460 -0.032 0.000 1.146 324 Y HN 0.008 nan 8.280 nan 0.000 0.524 325 V N 2.251 122.187 119.914 0.035 0.000 2.347 325 V HA 0.262 4.383 4.120 0.001 0.000 0.280 325 V C -0.466 175.611 176.094 -0.029 0.000 1.021 325 V CA -0.908 61.390 62.300 -0.003 0.000 0.847 325 V CB 1.178 33.021 31.823 0.033 0.000 0.990 325 V HN -0.013 nan 8.190 nan 0.000 0.444 326 L N 5.009 126.179 121.223 -0.087 0.000 2.305 326 L HA 0.754 5.095 4.340 0.001 0.000 0.281 326 L C 0.880 177.852 176.870 0.170 0.000 1.085 326 L CA 0.950 55.789 54.840 -0.002 0.000 0.813 326 L CB 1.118 43.112 42.059 -0.109 0.000 1.157 326 L HN 0.757 nan 8.230 nan 0.000 0.436 327 G N 1.189 110.103 108.800 0.189 0.000 3.264 327 G HA2 0.742 4.703 3.960 0.001 0.000 0.168 327 G HA3 0.742 4.703 3.960 0.001 0.000 0.168 327 G C -1.008 174.051 174.900 0.264 0.000 1.145 327 G CA -0.133 45.102 45.100 0.225 0.000 0.855 327 G HN 0.766 nan 8.290 nan 0.000 0.629 328 A N -0.794 122.141 122.820 0.192 0.000 2.371 328 A HA 0.740 5.060 4.320 0.001 0.000 0.257 328 A C 0.506 178.171 177.584 0.135 0.000 1.089 328 A CA 0.598 52.738 52.037 0.173 0.000 0.794 328 A CB 0.378 19.456 19.000 0.129 0.000 1.029 328 A HN 1.652 nan 8.150 nan 0.000 0.488 329 A N 1.972 124.866 122.820 0.124 0.000 2.263 329 A HA 0.905 5.225 4.320 0.001 0.000 0.318 329 A C -1.992 175.634 177.584 0.070 0.000 1.111 329 A CA -1.127 50.965 52.037 0.093 0.000 0.901 329 A CB -0.227 18.834 19.000 0.101 0.000 1.280 329 A HN 0.817 nan 8.150 nan 0.000 0.503 330 P HA 0.000 nan 4.420 nan 0.000 0.216 330 P CA 0.000 63.129 63.100 0.049 0.000 0.800 330 P CB 0.000 31.724 31.700 0.041 0.000 0.726