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 2zw7_1_B DATA FIRST_RESID 9 DATA SEQUENCE TAHLRTARLE LTPLDPAADA RHLHHAYGDE EVXRWWTRPA CADPAETERY DATA SEQUENCE LTSCAAAPGA RLWTIRAPDG TVPGXAGLLG GTDVPGLTWL LRRDSWGHGY DATA SEQUENCE ATEAAAAVVG HALEDGGLDR VEAWIEAGNR RSLAVAARVG LTERARLAQH DATA SEQUENCE YPHRPGPHEX VVLGKARAEE PLTTLAVITE LPVRDVAATL RLVEAALGAR DATA SEQUENCE TAFAIGDPPE FAEAALTPWS AGPRFRLAAV PGPGPVEPVR LHLDAAGTAD DATA SEQUENCE SLHRRAVDAG ARVDGPPVRR PWGRSEFVIT LPEGHELTVS APV 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.774 174.700 0.124 0.000 1.109 9 T CA 0.000 62.132 62.100 0.053 0.000 1.349 9 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 10 A N 1.036 123.964 122.820 0.180 0.000 2.352 10 A HA 0.916 5.236 4.320 -0.000 0.000 0.299 10 A C -0.837 176.964 177.584 0.362 0.000 1.160 10 A CA -0.755 51.447 52.037 0.274 0.000 0.933 10 A CB 0.404 19.505 19.000 0.167 0.000 1.387 10 A HN 0.971 nan 8.150 nan 0.000 0.487 11 H N -0.857 118.274 119.070 0.102 0.000 2.499 11 H HA 0.587 5.143 4.556 -0.000 0.000 0.340 11 H C -0.829 174.470 175.328 -0.049 0.000 1.148 11 H CA -0.545 55.565 56.048 0.102 0.000 1.215 11 H CB 1.053 30.852 29.762 0.062 0.000 1.529 11 H HN 0.409 nan 8.280 nan 0.000 0.510 12 L N 2.736 123.905 121.223 -0.090 0.000 2.272 12 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 12 L C 0.213 177.003 176.870 -0.134 0.000 1.032 12 L CA -0.667 54.019 54.840 -0.258 0.000 0.810 12 L CB 0.712 42.400 42.059 -0.617 0.000 1.205 12 L HN 0.317 nan 8.230 nan 0.000 0.422 13 R N 2.449 122.896 120.500 -0.089 0.000 2.343 13 R HA 0.462 4.802 4.340 -0.000 0.000 0.320 13 R C -0.431 175.832 176.300 -0.062 0.000 0.956 13 R CA -0.221 55.847 56.100 -0.053 0.000 0.836 13 R CB 1.766 32.051 30.300 -0.025 0.000 1.151 13 R HN 0.764 nan 8.270 nan 0.000 0.450 14 T N -0.446 114.074 114.554 -0.057 0.000 2.940 14 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 14 T C 1.450 176.136 174.700 -0.023 0.000 1.045 14 T CA -0.060 62.013 62.100 -0.046 0.000 1.018 14 T CB 1.712 70.550 68.868 -0.051 0.000 1.151 14 T HN 0.431 nan 8.240 nan 0.000 0.529 15 A N 1.646 124.458 122.820 -0.014 0.000 1.900 15 A HA -0.244 4.076 4.320 -0.000 0.000 0.225 15 A C 2.159 179.747 177.584 0.007 0.000 1.414 15 A CA 2.846 54.882 52.037 -0.002 0.000 0.702 15 A CB -0.971 18.031 19.000 0.004 0.000 0.845 15 A HN 1.029 nan 8.150 nan 0.000 0.478 16 R N -1.813 118.699 120.500 0.020 0.000 2.572 16 R HA 0.549 4.889 4.340 -0.000 0.000 0.370 16 R C -0.510 175.797 176.300 0.012 0.000 1.005 16 R CA -0.195 55.922 56.100 0.029 0.000 1.146 16 R CB -0.225 30.113 30.300 0.065 0.000 1.390 16 R HN 0.445 nan 8.270 nan 0.000 0.553 17 L N 0.689 121.906 121.223 -0.010 0.000 2.323 17 L HA 0.534 4.874 4.340 -0.000 0.000 0.265 17 L C -0.405 176.436 176.870 -0.049 0.000 1.012 17 L CA -1.040 53.772 54.840 -0.048 0.000 0.820 17 L CB 2.305 44.331 42.059 -0.056 0.000 1.334 17 L HN 0.007 nan 8.230 nan 0.000 0.427 18 E N 2.866 123.034 120.200 -0.054 0.000 2.402 18 E HA 0.343 4.693 4.350 -0.000 0.000 0.244 18 E C -1.239 175.352 176.600 -0.015 0.000 0.945 18 E CA -0.321 56.066 56.400 -0.022 0.000 0.774 18 E CB 1.492 31.191 29.700 -0.001 0.000 1.296 18 E HN 0.404 nan 8.360 nan 0.000 0.414 19 L N 3.504 124.700 121.223 -0.044 0.000 2.278 19 L HA 0.305 4.645 4.340 -0.000 0.000 0.287 19 L C 0.672 177.598 176.870 0.094 0.000 1.072 19 L CA -0.141 54.679 54.840 -0.032 0.000 0.819 19 L CB 0.763 42.656 42.059 -0.277 0.000 1.176 19 L HN 0.373 nan 8.230 nan 0.000 0.435 20 T N 1.289 115.933 114.554 0.150 0.000 2.856 20 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 20 T C -2.687 172.019 174.700 0.011 0.000 1.008 20 T CA -2.580 59.500 62.100 -0.033 0.000 0.997 20 T CB 1.945 70.801 68.868 -0.019 0.000 0.992 20 T HN 0.149 nan 8.240 nan 0.000 0.454 21 P HA 0.041 nan 4.420 nan 0.000 0.261 21 P C 0.010 177.196 177.300 -0.189 0.000 1.165 21 P CA -0.296 62.591 63.100 -0.355 0.000 0.759 21 P CB 0.170 31.673 31.700 -0.329 0.000 0.772 22 L N 3.921 125.028 121.223 -0.193 0.000 2.525 22 L HA 0.040 4.380 4.340 -0.000 0.000 0.278 22 L C 0.609 177.435 176.870 -0.074 0.000 1.218 22 L CA 1.030 55.820 54.840 -0.084 0.000 0.878 22 L CB 0.059 42.074 42.059 -0.074 0.000 1.127 22 L HN 0.315 nan 8.230 nan 0.000 0.492 23 D N 6.540 126.924 120.400 -0.027 0.000 2.441 23 D HA 0.259 4.899 4.640 -0.000 0.000 0.287 23 D C -1.841 174.452 176.300 -0.012 0.000 1.198 23 D CA -1.724 52.264 54.000 -0.020 0.000 0.894 23 D CB 1.284 42.086 40.800 0.004 0.000 1.070 23 D HN 0.281 nan 8.370 nan 0.000 0.499 24 P HA -0.285 nan 4.420 nan 0.000 0.226 24 P C 1.105 178.387 177.300 -0.029 0.000 1.154 24 P CA 2.086 65.162 63.100 -0.040 0.000 0.918 24 P CB 0.335 32.000 31.700 -0.059 0.000 0.790 25 A N -0.664 122.141 122.820 -0.025 0.000 1.841 25 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 25 A C 2.385 179.963 177.584 -0.009 0.000 1.195 25 A CA 2.355 54.379 52.037 -0.023 0.000 0.611 25 A CB -1.589 17.400 19.000 -0.019 0.000 0.835 25 A HN 0.212 nan 8.150 nan 0.000 0.443 26 A N -0.116 122.712 122.820 0.013 0.000 1.902 26 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 26 A C 1.637 179.278 177.584 0.093 0.000 1.181 26 A CA 1.942 54.006 52.037 0.046 0.000 0.623 26 A CB -0.558 18.479 19.000 0.061 0.000 0.818 26 A HN 0.462 nan 8.150 nan 0.000 0.443 27 D N -0.176 120.281 120.400 0.096 0.000 2.323 27 D HA 0.201 4.841 4.640 -0.000 0.000 0.209 27 D C 2.046 178.414 176.300 0.113 0.000 0.973 27 D CA 0.894 54.989 54.000 0.159 0.000 0.874 27 D CB -0.341 40.530 40.800 0.118 0.000 0.930 27 D HN 0.401 nan 8.370 nan 0.000 0.521 28 A N 2.315 125.151 122.820 0.027 0.000 1.859 28 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 28 A C 2.193 179.777 177.584 -0.000 0.000 1.209 28 A CA 2.629 54.660 52.037 -0.010 0.000 0.639 28 A CB -0.829 18.135 19.000 -0.060 0.000 0.835 28 A HN 0.389 nan 8.150 nan 0.000 0.450 29 R N -1.083 119.371 120.500 -0.077 0.000 2.105 29 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 29 R C 1.904 178.183 176.300 -0.034 0.000 1.135 29 R CA 2.076 58.105 56.100 -0.119 0.000 0.967 29 R CB -0.912 29.261 30.300 -0.211 0.000 0.861 29 R HN 0.721 nan 8.270 nan 0.000 0.442 30 H N 0.895 120.048 119.070 0.138 0.000 2.284 30 H HA 0.066 4.622 4.556 -0.000 0.000 0.304 30 H C 2.040 177.533 175.328 0.275 0.000 1.069 30 H CA 1.715 57.898 56.048 0.224 0.000 1.327 30 H CB -0.008 29.831 29.762 0.129 0.000 1.387 30 H HN 0.050 nan 8.280 nan 0.000 0.498 31 L N 0.290 121.717 121.223 0.339 0.000 2.549 31 L HA -0.129 4.211 4.340 -0.000 0.000 0.229 31 L C 1.997 179.079 176.870 0.354 0.000 1.158 31 L CA 0.618 55.659 54.840 0.334 0.000 0.842 31 L CB -0.327 41.942 42.059 0.350 0.000 0.952 31 L HN 0.388 nan 8.230 nan 0.000 0.452 32 H N -0.298 118.833 119.070 0.101 0.000 2.521 32 H HA -0.125 4.431 4.556 -0.000 0.000 0.286 32 H C 1.922 177.210 175.328 -0.067 0.000 1.034 32 H CA 1.368 57.414 56.048 -0.004 0.000 1.278 32 H CB -0.100 29.572 29.762 -0.151 0.000 1.386 32 H HN 0.381 nan 8.280 nan 0.000 0.567 33 H N -1.364 117.690 119.070 -0.026 0.000 2.545 33 H HA 0.138 4.694 4.556 -0.000 0.000 0.282 33 H C 1.815 177.041 175.328 -0.169 0.000 1.020 33 H CA 0.856 56.830 56.048 -0.124 0.000 1.243 33 H CB 0.413 30.147 29.762 -0.048 0.000 1.377 33 H HN 0.500 nan 8.280 nan 0.000 0.581 34 A N -0.607 122.181 122.820 -0.052 0.000 1.983 34 A HA 0.042 4.362 4.320 -0.000 0.000 0.207 34 A C 1.404 178.802 177.584 -0.310 0.000 1.412 34 A CA -0.049 51.873 52.037 -0.193 0.000 0.750 34 A CB -0.532 18.320 19.000 -0.247 0.000 1.047 34 A HN 0.288 nan 8.150 nan 0.000 0.504 35 Y N 0.814 120.998 120.300 -0.194 0.000 2.333 35 Y HA -0.058 4.492 4.550 -0.000 0.000 0.290 35 Y C 2.518 178.277 175.900 -0.236 0.000 1.144 35 Y CA 1.169 59.136 58.100 -0.222 0.000 1.228 35 Y CB -0.210 38.181 38.460 -0.114 0.000 0.985 35 Y HN 0.381 nan 8.280 nan 0.000 0.542 36 G N -1.378 107.249 108.800 -0.288 0.000 2.777 36 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.211 36 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.211 36 G C -0.118 174.623 174.900 -0.265 0.000 1.149 36 G CA 0.012 44.842 45.100 -0.451 0.000 0.785 36 G HN 0.110 nan 8.290 nan 0.000 0.536 37 D N 0.431 120.699 120.400 -0.220 0.000 2.295 37 D HA 0.110 4.749 4.640 -0.000 0.000 0.248 37 D C 1.326 177.573 176.300 -0.088 0.000 1.154 37 D CA -0.431 53.483 54.000 -0.144 0.000 0.857 37 D CB 1.487 42.199 40.800 -0.147 0.000 1.117 37 D HN 0.352 nan 8.370 nan 0.000 0.468 38 E N 3.118 123.286 120.200 -0.054 0.000 2.150 38 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 38 E C 1.044 177.656 176.600 0.020 0.000 0.985 38 E CA 0.866 57.254 56.400 -0.020 0.000 0.814 38 E CB 0.215 29.906 29.700 -0.014 0.000 0.752 38 E HN 0.497 nan 8.360 nan 0.000 0.466 39 E N 0.340 120.562 120.200 0.037 0.000 2.106 39 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 39 E C 0.710 177.471 176.600 0.268 0.000 0.984 39 E CA 0.618 57.096 56.400 0.131 0.000 0.806 39 E CB 0.326 30.090 29.700 0.106 0.000 0.750 39 E HN 0.127 nan 8.360 nan 0.000 0.458 43 W N 0.650 122.080 121.300 0.217 0.000 3.103 43 W HA 0.441 5.101 4.660 -0.000 0.000 0.325 43 W C 0.667 177.404 176.519 0.363 0.000 1.170 43 W CA -0.620 56.865 57.345 0.233 0.000 1.712 43 W CB 0.276 29.850 29.460 0.190 0.000 1.068 43 W HN -0.062 nan 8.180 nan 0.000 0.592 44 W N 2.210 123.645 121.300 0.225 0.000 2.034 44 W HA -0.039 4.621 4.660 -0.000 0.000 0.357 44 W C 1.895 178.387 176.519 -0.046 0.000 1.326 44 W CA 1.103 58.497 57.345 0.082 0.000 1.318 44 W CB 0.981 30.419 29.460 -0.037 0.000 1.193 44 W HN -0.200 nan 8.180 nan 0.000 0.620 45 T N -0.290 113.905 114.554 -0.597 0.000 3.035 45 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 45 T C 0.416 174.822 174.700 -0.489 0.000 1.109 45 T CA 0.597 62.069 62.100 -1.047 0.000 1.119 45 T CB 0.013 68.390 68.868 -0.818 0.000 0.900 45 T HN 0.502 nan 8.240 nan 0.000 0.503 46 R N -0.268 120.036 120.500 -0.326 0.000 2.774 46 R HA 0.716 5.056 4.340 -0.000 0.000 0.272 46 R C -3.509 172.463 176.300 -0.548 0.000 1.000 46 R CA -2.388 53.397 56.100 -0.526 0.000 0.906 46 R CB -0.021 30.162 30.300 -0.196 0.000 1.227 46 R HN -0.104 nan 8.270 nan 0.000 0.468 47 P HA 0.050 nan 4.420 nan 0.000 0.269 47 P C -0.387 176.819 177.300 -0.156 0.000 1.215 47 P CA -0.094 62.837 63.100 -0.283 0.000 0.780 47 P CB 0.516 32.126 31.700 -0.150 0.000 0.898 48 A N 2.094 124.855 122.820 -0.098 0.000 2.583 48 A HA 0.004 4.324 4.320 -0.000 0.000 0.231 48 A C 0.329 177.885 177.584 -0.045 0.000 1.065 48 A CA 0.096 52.087 52.037 -0.077 0.000 0.760 48 A CB -0.513 18.446 19.000 -0.068 0.000 1.001 48 A HN 0.646 nan 8.150 nan 0.000 0.509 49 C N 1.679 120.979 119.300 0.001 0.000 2.527 49 C HA 0.460 4.920 4.460 -0.000 0.000 0.396 49 C C 2.058 177.119 174.990 0.119 0.000 1.289 49 C CA 0.129 59.174 59.018 0.045 0.000 2.047 49 C CB 0.223 28.003 27.740 0.067 0.000 2.568 49 C HN 1.009 nan 8.230 nan 0.000 0.573 50 A N 2.338 125.193 122.820 0.058 0.000 1.940 50 A HA -0.029 4.290 4.320 -0.000 0.000 0.219 50 A C 0.505 178.127 177.584 0.063 0.000 1.176 50 A CA 1.945 54.014 52.037 0.052 0.000 0.631 50 A CB -0.370 18.638 19.000 0.013 0.000 0.814 50 A HN 1.004 nan 8.150 nan 0.000 0.446 51 D N -4.815 115.568 120.400 -0.028 0.000 2.615 51 D HA 0.378 5.018 4.640 -0.000 0.000 0.267 51 D C -2.599 173.312 176.300 -0.647 0.000 1.236 51 D CA -1.410 52.425 54.000 -0.274 0.000 0.839 51 D CB 0.419 41.118 40.800 -0.168 0.000 1.380 51 D HN -0.169 nan 8.370 nan 0.000 0.433 52 P HA -0.183 nan 4.420 nan 0.000 0.221 52 P C 1.069 178.182 177.300 -0.313 0.000 1.145 52 P CA 1.615 64.299 63.100 -0.694 0.000 0.795 52 P CB -0.025 31.398 31.700 -0.460 0.000 0.775 53 A N 0.877 123.553 122.820 -0.240 0.000 1.835 53 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 53 A C 2.402 179.925 177.584 -0.101 0.000 1.199 53 A CA 1.620 53.576 52.037 -0.135 0.000 0.615 53 A CB -1.491 17.447 19.000 -0.104 0.000 0.838 53 A HN 0.100 nan 8.150 nan 0.000 0.444 54 E N -0.999 119.146 120.200 -0.092 0.000 2.097 54 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 54 E C 2.058 178.649 176.600 -0.015 0.000 1.000 54 E CA 1.802 58.180 56.400 -0.037 0.000 0.804 54 E CB -0.221 29.465 29.700 -0.023 0.000 0.740 54 E HN 0.612 nan 8.360 nan 0.000 0.454 55 T N 0.305 114.825 114.554 -0.056 0.000 2.833 55 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 55 T C 1.707 176.367 174.700 -0.067 0.000 1.054 55 T CA 1.454 63.523 62.100 -0.051 0.000 1.135 55 T CB -0.116 68.752 68.868 -0.001 0.000 0.869 55 T HN 0.283 nan 8.240 nan 0.000 0.466 56 E N 0.895 121.051 120.200 -0.073 0.000 2.046 56 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 56 E C 2.434 179.005 176.600 -0.048 0.000 0.982 56 E CA 0.741 57.100 56.400 -0.068 0.000 0.800 56 E CB 0.064 29.721 29.700 -0.071 0.000 0.756 56 E HN 0.315 nan 8.360 nan 0.000 0.449 57 R N -0.743 119.742 120.500 -0.026 0.000 2.091 57 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 57 R C 2.334 178.638 176.300 0.007 0.000 1.136 57 R CA 1.687 57.781 56.100 -0.010 0.000 0.959 57 R CB -0.469 29.835 30.300 0.007 0.000 0.856 57 R HN 0.329 nan 8.270 nan 0.000 0.437 58 Y N 1.325 121.569 120.300 -0.094 0.000 2.133 58 Y HA -0.144 4.406 4.550 -0.000 0.000 0.287 58 Y C 2.017 177.846 175.900 -0.120 0.000 1.134 58 Y CA 1.388 59.432 58.100 -0.093 0.000 1.133 58 Y CB -0.330 38.065 38.460 -0.108 0.000 0.987 58 Y HN -0.062 nan 8.280 nan 0.000 0.502 59 L N -0.620 120.518 121.223 -0.141 0.000 2.079 59 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 59 L C 2.254 179.006 176.870 -0.197 0.000 1.081 59 L CA 1.966 56.675 54.840 -0.218 0.000 0.752 59 L CB -0.979 40.984 42.059 -0.160 0.000 0.896 59 L HN 0.308 nan 8.230 nan 0.000 0.433 60 T N -1.374 113.092 114.554 -0.146 0.000 2.674 60 T HA -0.215 4.135 4.350 -0.000 0.000 0.265 60 T C 2.135 176.748 174.700 -0.145 0.000 1.039 60 T CA 1.750 63.778 62.100 -0.119 0.000 1.150 60 T CB -0.190 68.627 68.868 -0.084 0.000 0.864 60 T HN 0.271 nan 8.240 nan 0.000 0.427 61 S N 0.007 115.601 115.700 -0.176 0.000 2.365 61 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 61 S C 2.364 176.829 174.600 -0.224 0.000 1.039 61 S CA 1.599 59.688 58.200 -0.185 0.000 1.033 61 S CB -0.835 62.246 63.200 -0.198 0.000 0.887 61 S HN 0.685 nan 8.310 nan 0.000 0.447 62 C N 1.450 120.550 119.300 -0.333 0.000 2.429 62 C HA 0.128 4.588 4.460 -0.000 0.000 0.277 62 C C 3.047 177.939 174.990 -0.165 0.000 1.262 62 C CA 0.470 59.324 59.018 -0.273 0.000 1.733 62 C CB -1.739 25.810 27.740 -0.319 0.000 2.010 62 C HN 0.720 nan 8.230 nan 0.000 0.483 63 A N 0.524 123.251 122.820 -0.155 0.000 2.015 63 A HA 0.197 4.517 4.320 -0.000 0.000 0.219 63 A C 2.331 179.848 177.584 -0.111 0.000 1.163 63 A CA 1.722 53.683 52.037 -0.127 0.000 0.646 63 A CB -0.665 18.262 19.000 -0.122 0.000 0.806 63 A HN 0.557 nan 8.150 nan 0.000 0.448 64 A N 0.270 123.026 122.820 -0.106 0.000 1.930 64 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 64 A C 1.635 179.173 177.584 -0.076 0.000 1.175 64 A CA 0.896 52.883 52.037 -0.084 0.000 0.627 64 A CB -1.203 17.750 19.000 -0.077 0.000 0.815 64 A HN 1.351 nan 8.150 nan 0.000 0.443 65 A N 1.489 124.259 122.820 -0.084 0.000 2.600 65 A HA 0.325 4.645 4.320 -0.000 0.000 0.244 65 A C -2.004 175.543 177.584 -0.062 0.000 1.016 65 A CA -0.372 51.622 52.037 -0.072 0.000 0.778 65 A CB -0.645 18.307 19.000 -0.081 0.000 0.920 65 A HN 0.388 nan 8.150 nan 0.000 0.513 66 P HA 0.177 nan 4.420 nan 0.000 0.262 66 P C 1.046 178.321 177.300 -0.042 0.000 1.199 66 P CA 1.490 64.565 63.100 -0.041 0.000 0.763 66 P CB 0.537 32.218 31.700 -0.032 0.000 0.790 67 G N 2.643 111.418 108.800 -0.042 0.000 2.313 67 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 67 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 67 G C 0.425 175.298 174.900 -0.045 0.000 1.023 67 G CA 0.021 45.100 45.100 -0.036 0.000 0.626 67 G HN 0.828 nan 8.290 nan 0.000 0.503 68 A N 0.532 123.315 122.820 -0.062 0.000 2.609 68 A HA 0.496 4.815 4.320 -0.000 0.000 0.232 68 A C 0.809 178.320 177.584 -0.122 0.000 1.041 68 A CA 1.237 53.227 52.037 -0.079 0.000 0.753 68 A CB 0.038 18.983 19.000 -0.091 0.000 0.966 68 A HN 0.691 nan 8.150 nan 0.000 0.510 69 R N 1.866 122.269 120.500 -0.162 0.000 2.985 69 R HA 0.289 4.629 4.340 -0.000 0.000 0.259 69 R C -1.701 174.259 176.300 -0.567 0.000 1.815 69 R CA -0.180 55.694 56.100 -0.377 0.000 1.278 69 R CB 0.723 30.872 30.300 -0.251 0.000 1.403 69 R HN 0.711 nan 8.270 nan 0.000 0.534 70 L N 1.646 122.563 121.223 -0.510 0.000 2.325 70 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 70 L C -0.048 176.585 176.870 -0.396 0.000 1.023 70 L CA -0.750 53.922 54.840 -0.280 0.000 0.811 70 L CB 1.550 43.576 42.059 -0.056 0.000 1.249 70 L HN 0.209 nan 8.230 nan 0.000 0.431 71 W N 0.555 121.876 121.300 0.035 0.000 2.719 71 W HA 0.448 5.108 4.660 -0.000 0.000 0.352 71 W C -0.490 176.041 176.519 0.021 0.000 1.085 71 W CA -0.549 56.792 57.345 -0.006 0.000 1.187 71 W CB 2.375 31.820 29.460 -0.025 0.000 1.417 71 W HN 0.290 nan 8.180 nan 0.000 0.557 72 T N 2.880 117.572 114.554 0.230 0.000 2.770 72 T HA 0.399 4.749 4.350 -0.000 0.000 0.283 72 T C 0.044 174.805 174.700 0.102 0.000 0.988 72 T CA -0.487 61.700 62.100 0.145 0.000 0.957 72 T CB 0.611 69.534 68.868 0.091 0.000 0.930 72 T HN 0.075 nan 8.240 nan 0.000 0.443 73 I N 3.690 124.300 120.570 0.066 0.000 2.517 73 I HA 0.229 4.399 4.170 -0.000 0.000 0.285 73 I C 0.697 176.758 176.117 -0.092 0.000 1.106 73 I CA 0.062 61.349 61.300 -0.022 0.000 1.402 73 I CB 0.434 38.405 38.000 -0.049 0.000 1.399 73 I HN 0.269 nan 8.210 nan 0.000 0.535 74 R N 5.247 125.684 120.500 -0.106 0.000 2.288 74 R HA 0.559 4.899 4.340 -0.000 0.000 0.326 74 R C -0.356 175.841 176.300 -0.173 0.000 0.959 74 R CA -0.279 55.743 56.100 -0.129 0.000 0.834 74 R CB 1.511 31.769 30.300 -0.069 0.000 1.157 74 R HN 0.758 nan 8.270 nan 0.000 0.470 75 A N 4.953 127.632 122.820 -0.235 0.000 2.346 75 A HA 0.302 4.621 4.320 -0.000 0.000 0.252 75 A C -1.384 176.124 177.584 -0.128 0.000 1.089 75 A CA -1.116 50.767 52.037 -0.256 0.000 0.797 75 A CB -0.026 18.787 19.000 -0.311 0.000 1.047 75 A HN 0.625 nan 8.150 nan 0.000 0.494 76 P HA -0.172 nan 4.420 nan 0.000 0.216 76 P C 0.271 177.550 177.300 -0.034 0.000 1.153 76 P CA 1.659 64.739 63.100 -0.033 0.000 0.858 76 P CB -0.213 31.489 31.700 0.004 0.000 0.789 77 D N -1.496 118.880 120.400 -0.039 0.000 2.690 77 D HA 0.171 4.811 4.640 -0.000 0.000 0.236 77 D C 1.385 177.653 176.300 -0.054 0.000 1.218 77 D CA 0.052 54.031 54.000 -0.035 0.000 0.829 77 D CB -0.644 40.142 40.800 -0.024 0.000 1.009 77 D HN 0.271 nan 8.370 nan 0.000 0.482 78 G N 1.161 109.920 108.800 -0.069 0.000 2.779 78 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.230 78 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.230 78 G C 0.710 175.527 174.900 -0.138 0.000 1.243 78 G CA 0.534 45.582 45.100 -0.087 0.000 0.769 78 G HN 0.621 nan 8.290 nan 0.000 0.516 79 T N 0.317 114.793 114.554 -0.130 0.000 2.860 79 T HA 0.282 4.632 4.350 -0.000 0.000 0.295 79 T C 0.284 174.859 174.700 -0.209 0.000 1.041 79 T CA 0.473 62.478 62.100 -0.159 0.000 1.132 79 T CB 1.854 70.636 68.868 -0.143 0.000 1.072 79 T HN 1.026 nan 8.240 nan 0.000 0.504 80 V N 6.487 126.280 119.914 -0.202 0.000 2.275 80 V HA 0.207 4.327 4.120 -0.000 0.000 0.272 80 V C -1.084 174.941 176.094 -0.115 0.000 1.028 80 V CA -1.464 60.733 62.300 -0.173 0.000 0.810 80 V CB 1.163 32.885 31.823 -0.168 0.000 1.043 80 V HN 0.790 nan 8.190 nan 0.000 0.453 81 P HA 0.114 nan 4.420 nan 0.000 0.221 81 P C 0.689 177.992 177.300 0.004 0.000 1.150 81 P CA 1.218 64.254 63.100 -0.108 0.000 0.800 81 P CB 0.698 32.244 31.700 -0.256 0.000 0.787 85 G N -1.547 107.564 108.800 0.518 0.000 2.369 85 G HA2 0.552 4.511 3.960 -0.000 0.000 0.295 85 G HA3 0.552 4.511 3.960 -0.000 0.000 0.295 85 G C -1.599 173.536 174.900 0.393 0.000 1.298 85 G CA -0.422 45.047 45.100 0.615 0.000 0.940 85 G HN 1.302 nan 8.290 nan 0.000 0.536 86 L N 0.419 121.838 121.223 0.327 0.000 2.334 86 L HA 0.585 4.925 4.340 -0.000 0.000 0.277 86 L C 0.781 177.696 176.870 0.074 0.000 1.075 86 L CA -0.758 54.189 54.840 0.179 0.000 0.804 86 L CB 1.323 43.484 42.059 0.171 0.000 1.174 86 L HN 0.469 nan 8.230 nan 0.000 0.438 87 L N 1.483 122.718 121.223 0.019 0.000 2.453 87 L HA 0.357 4.697 4.340 -0.000 0.000 0.261 87 L C 0.835 177.672 176.870 -0.055 0.000 1.179 87 L CA -0.124 54.694 54.840 -0.036 0.000 0.813 87 L CB 0.689 42.685 42.059 -0.105 0.000 1.110 87 L HN 0.684 nan 8.230 nan 0.000 0.466 88 G N -0.063 108.697 108.800 -0.068 0.000 2.356 88 G HA2 0.458 4.418 3.960 -0.000 0.000 0.298 88 G HA3 0.458 4.418 3.960 -0.000 0.000 0.298 88 G C 0.261 175.118 174.900 -0.071 0.000 1.145 88 G CA 0.053 45.112 45.100 -0.067 0.000 0.850 88 G HN 0.962 nan 8.290 nan 0.000 0.487 89 G N 1.146 109.911 108.800 -0.058 0.000 2.392 89 G HA2 0.070 4.030 3.960 -0.000 0.000 0.256 89 G HA3 0.070 4.030 3.960 -0.000 0.000 0.256 89 G C 0.665 175.523 174.900 -0.070 0.000 0.920 89 G CA 0.920 45.989 45.100 -0.052 0.000 1.316 89 G HN 1.774 nan 8.290 nan 0.000 0.416 90 T N -2.076 112.433 114.554 -0.074 0.000 3.029 90 T HA 0.387 4.737 4.350 -0.000 0.000 0.256 90 T C 0.992 175.654 174.700 -0.064 0.000 0.914 90 T CA 1.136 63.172 62.100 -0.107 0.000 0.880 90 T CB 0.599 69.366 68.868 -0.168 0.000 1.246 90 T HN 1.764 nan 8.240 nan 0.000 0.523 91 D N 1.098 121.475 120.400 -0.038 0.000 4.242 91 D HA -0.224 4.416 4.640 -0.000 0.000 0.179 91 D C 0.021 176.316 176.300 -0.008 0.000 0.932 91 D CA 1.596 55.588 54.000 -0.015 0.000 2.179 91 D CB -1.326 39.474 40.800 0.000 0.000 1.139 91 D HN 0.768 nan 8.370 nan 0.000 0.438 92 V N 2.455 122.369 119.914 0.001 0.000 2.389 92 V HA 0.527 4.647 4.120 -0.000 0.000 0.264 92 V C -2.094 173.992 176.094 -0.013 0.000 1.049 92 V CA -1.208 61.102 62.300 0.017 0.000 0.932 92 V CB 0.751 32.611 31.823 0.062 0.000 1.011 92 V HN 0.326 nan 8.190 nan 0.000 0.475 93 P HA -0.001 nan 4.420 nan 0.000 0.255 93 P C 0.121 177.406 177.300 -0.025 0.000 1.141 93 P CA 0.875 63.971 63.100 -0.006 0.000 0.767 93 P CB -0.106 31.607 31.700 0.023 0.000 0.726 94 G N 3.443 112.199 108.800 -0.073 0.000 2.379 94 G HA2 0.574 4.534 3.960 -0.000 0.000 0.327 94 G HA3 0.574 4.534 3.960 -0.000 0.000 0.327 94 G C -0.629 174.256 174.900 -0.025 0.000 1.145 94 G CA -0.669 44.354 45.100 -0.128 0.000 0.905 94 G HN 0.360 nan 8.290 nan 0.000 0.466 95 L N 0.472 121.709 121.223 0.023 0.000 2.416 95 L HA 0.801 5.141 4.340 -0.000 0.000 0.262 95 L C 0.491 177.389 176.870 0.047 0.000 1.093 95 L CA -0.598 54.328 54.840 0.144 0.000 0.801 95 L CB 2.212 44.454 42.059 0.305 0.000 1.191 95 L HN 0.550 nan 8.230 nan 0.000 0.459 96 T N 0.187 114.842 114.554 0.169 0.000 3.087 96 T HA 0.483 4.833 4.350 -0.000 0.000 0.351 96 T C -2.096 172.813 174.700 0.348 0.000 1.520 96 T CA -0.514 61.624 62.100 0.064 0.000 1.111 96 T CB 0.809 69.754 68.868 0.128 0.000 1.353 96 T HN 0.642 nan 8.240 nan 0.000 0.481 97 W N 3.903 125.405 121.300 0.337 0.000 2.961 97 W HA 0.891 5.551 4.660 -0.000 0.000 0.368 97 W C -2.264 174.381 176.519 0.210 0.000 1.213 97 W CA -1.160 56.335 57.345 0.250 0.000 1.173 97 W CB 0.717 30.283 29.460 0.176 0.000 1.487 97 W HN 0.723 nan 8.180 nan 0.000 0.585 98 L N 1.252 122.696 121.223 0.369 0.000 2.781 98 L HA 0.642 4.982 4.340 -0.000 0.000 0.256 98 L C -1.967 174.979 176.870 0.127 0.000 0.930 98 L CA -0.496 54.384 54.840 0.067 0.000 0.967 98 L CB 1.342 43.106 42.059 -0.492 0.000 1.551 98 L HN 0.681 nan 8.230 nan 0.000 0.445 99 L N 2.492 123.838 121.223 0.204 0.000 2.359 99 L HA 0.722 5.062 4.340 -0.000 0.000 0.256 99 L C -0.669 176.295 176.870 0.158 0.000 1.026 99 L CA -1.131 53.846 54.840 0.228 0.000 0.828 99 L CB 2.229 44.523 42.059 0.391 0.000 1.406 99 L HN 0.647 nan 8.230 nan 0.000 0.413 100 R N 0.011 120.508 120.500 -0.005 0.000 2.459 100 R HA 0.419 4.759 4.340 -0.000 0.000 0.281 100 R C 0.706 176.672 176.300 -0.557 0.000 1.050 100 R CA -0.717 55.266 56.100 -0.195 0.000 1.055 100 R CB 0.726 30.952 30.300 -0.124 0.000 1.045 100 R HN 0.436 nan 8.270 nan 0.000 0.495 101 R N 1.158 121.072 120.500 -0.976 0.000 2.159 101 R HA -0.263 4.077 4.340 -0.000 0.000 0.249 101 R C 0.659 176.483 176.300 -0.793 0.000 1.136 101 R CA 2.584 57.717 56.100 -1.612 0.000 0.951 101 R CB -0.507 29.188 30.300 -1.007 0.000 0.876 101 R HN 0.799 nan 8.270 nan 0.000 0.440 102 D N -0.839 119.321 120.400 -0.401 0.000 2.357 102 D HA -0.111 4.528 4.640 -0.000 0.000 0.216 102 D C 1.248 177.520 176.300 -0.048 0.000 0.973 102 D CA 1.454 55.353 54.000 -0.169 0.000 0.912 102 D CB 0.019 40.730 40.800 -0.148 0.000 0.900 102 D HN 0.297 nan 8.370 nan 0.000 0.501 103 S N -1.611 114.074 115.700 -0.025 0.000 2.603 103 S HA 0.076 4.546 4.470 -0.000 0.000 0.232 103 S C 0.196 175.077 174.600 0.470 0.000 1.016 103 S CA -0.723 57.574 58.200 0.161 0.000 0.976 103 S CB 0.053 63.387 63.200 0.225 0.000 0.921 103 S HN 0.104 nan 8.310 nan 0.000 0.516 104 W N 2.361 123.783 121.300 0.204 0.000 2.209 104 W HA 0.437 5.097 4.660 -0.000 0.000 0.344 104 W C 1.492 178.071 176.519 0.100 0.000 1.285 104 W CA 0.946 58.373 57.345 0.137 0.000 1.267 104 W CB -0.908 28.606 29.460 0.090 0.000 1.167 104 W HN 0.499 nan 8.180 nan 0.000 0.574 105 G N 1.618 110.539 108.800 0.201 0.000 2.160 105 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.251 105 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.251 105 G C 0.377 175.137 174.900 -0.233 0.000 1.008 105 G CA 0.623 45.709 45.100 -0.024 0.000 0.724 105 G HN 0.729 nan 8.290 nan 0.000 0.514 106 H N -0.944 117.981 119.070 -0.241 0.000 2.755 106 H HA 0.424 4.980 4.556 -0.000 0.000 0.273 106 H C 2.006 176.995 175.328 -0.565 0.000 1.055 106 H CA 0.783 56.509 56.048 -0.537 0.000 1.191 106 H CB 0.772 29.870 29.762 -1.107 0.000 1.536 106 H HN 1.155 nan 8.280 nan 0.000 0.529 107 G N 0.377 109.044 108.800 -0.222 0.000 2.179 107 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.257 107 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.257 107 G C 0.401 175.268 174.900 -0.056 0.000 1.010 107 G CA 0.812 45.829 45.100 -0.139 0.000 0.736 107 G HN 0.358 nan 8.290 nan 0.000 0.513 108 Y N -0.021 120.298 120.300 0.031 0.000 2.130 108 Y HA 0.222 4.772 4.550 -0.000 0.000 0.287 108 Y C 3.151 179.010 175.900 -0.068 0.000 1.124 108 Y CA 1.451 59.551 58.100 -0.000 0.000 1.118 108 Y CB -1.321 37.159 38.460 0.034 0.000 0.994 108 Y HN 0.357 nan 8.280 nan 0.000 0.497 109 A N 0.023 122.895 122.820 0.086 0.000 1.903 109 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 109 A C 2.310 179.693 177.584 -0.334 0.000 1.191 109 A CA 2.977 54.906 52.037 -0.180 0.000 0.638 109 A CB -1.442 17.379 19.000 -0.297 0.000 0.823 109 A HN 0.505 nan 8.150 nan 0.000 0.451 110 T N -0.726 113.677 114.554 -0.251 0.000 2.684 110 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 110 T C 1.856 176.458 174.700 -0.163 0.000 1.036 110 T CA 1.535 63.488 62.100 -0.244 0.000 1.148 110 T CB -0.284 68.486 68.868 -0.163 0.000 0.863 110 T HN 0.663 nan 8.240 nan 0.000 0.436 111 E N 0.672 120.826 120.200 -0.076 0.000 2.077 111 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 111 E C 2.464 179.024 176.600 -0.066 0.000 0.989 111 E CA 0.940 57.315 56.400 -0.042 0.000 0.800 111 E CB -0.161 29.557 29.700 0.031 0.000 0.746 111 E HN 0.487 nan 8.360 nan 0.000 0.452 112 A N 1.137 123.920 122.820 -0.061 0.000 1.873 112 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 112 A C 2.368 179.892 177.584 -0.100 0.000 1.186 112 A CA 1.624 53.616 52.037 -0.075 0.000 0.616 112 A CB -0.710 18.280 19.000 -0.017 0.000 0.823 112 A HN 0.363 nan 8.150 nan 0.000 0.442 113 A N 0.072 122.801 122.820 -0.152 0.000 1.883 113 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 113 A C 2.530 180.047 177.584 -0.111 0.000 1.186 113 A CA 2.382 54.319 52.037 -0.165 0.000 0.624 113 A CB -1.162 17.520 19.000 -0.530 0.000 0.822 113 A HN 1.135 nan 8.150 nan 0.000 0.444 114 A N -0.187 122.554 122.820 -0.131 0.000 1.917 114 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 114 A C 2.527 180.066 177.584 -0.074 0.000 1.182 114 A CA 2.481 54.465 52.037 -0.088 0.000 0.633 114 A CB -1.098 17.852 19.000 -0.084 0.000 0.819 114 A HN 1.129 nan 8.150 nan 0.000 0.448 115 A N -0.656 122.101 122.820 -0.105 0.000 1.858 115 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 115 A C 2.252 179.748 177.584 -0.148 0.000 1.190 115 A CA 1.844 53.797 52.037 -0.140 0.000 0.617 115 A CB -1.121 17.750 19.000 -0.215 0.000 0.827 115 A HN 0.432 nan 8.150 nan 0.000 0.443 116 V N -0.247 119.561 119.914 -0.177 0.000 2.252 116 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 116 V C 2.607 178.722 176.094 0.035 0.000 1.056 116 V CA 2.195 64.424 62.300 -0.118 0.000 1.022 116 V CB -0.909 30.929 31.823 0.024 0.000 0.641 116 V HN 0.380 nan 8.190 nan 0.000 0.445 117 V N 0.734 120.670 119.914 0.037 0.000 2.261 117 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 117 V C 2.667 178.777 176.094 0.027 0.000 1.047 117 V CA 2.315 64.645 62.300 0.049 0.000 1.015 117 V CB -1.559 30.289 31.823 0.041 0.000 0.642 117 V HN 0.618 nan 8.190 nan 0.000 0.446 118 G N -0.733 108.074 108.800 0.011 0.000 2.476 118 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.218 118 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.218 118 G C 1.459 176.380 174.900 0.036 0.000 1.164 118 G CA 1.551 46.659 45.100 0.013 0.000 0.768 118 G HN 0.689 nan 8.290 nan 0.000 0.560 119 H N 1.277 120.317 119.070 -0.049 0.000 2.321 119 H HA 0.128 4.684 4.556 -0.000 0.000 0.300 119 H C 2.663 178.005 175.328 0.024 0.000 1.087 119 H CA 2.096 58.127 56.048 -0.028 0.000 1.319 119 H CB -0.562 29.151 29.762 -0.083 0.000 1.379 119 H HN 0.274 nan 8.280 nan 0.000 0.501 120 A N 0.488 123.218 122.820 -0.151 0.000 1.908 120 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 120 A C 1.888 179.405 177.584 -0.112 0.000 1.181 120 A CA 1.606 53.549 52.037 -0.157 0.000 0.627 120 A CB -0.635 18.372 19.000 0.011 0.000 0.818 120 A HN 0.414 nan 8.150 nan 0.000 0.445 121 L N -1.065 120.124 121.223 -0.055 0.000 2.660 121 L HA 0.192 4.532 4.340 -0.000 0.000 0.238 121 L C 1.230 178.079 176.870 -0.036 0.000 1.161 121 L CA 1.307 56.129 54.840 -0.031 0.000 0.937 121 L CB -0.389 41.667 42.059 -0.005 0.000 1.122 121 L HN 0.652 nan 8.230 nan 0.000 0.435 122 E N -1.239 118.921 120.200 -0.067 0.000 3.343 122 E HA 0.023 4.373 4.350 -0.000 0.000 0.221 122 E C 1.098 177.663 176.600 -0.057 0.000 1.224 122 E CA 0.331 56.707 56.400 -0.040 0.000 1.057 122 E CB -0.010 29.687 29.700 -0.005 0.000 3.107 122 E HN 0.102 nan 8.360 nan 0.000 0.568 123 D N 0.550 120.919 120.400 -0.051 0.000 2.182 123 D HA -0.078 4.561 4.640 -0.000 0.000 0.201 123 D C 1.419 177.653 176.300 -0.109 0.000 0.986 123 D CA 1.443 55.440 54.000 -0.005 0.000 0.847 123 D CB -0.153 40.776 40.800 0.215 0.000 0.942 123 D HN 0.390 nan 8.370 nan 0.000 0.467 124 G N 0.034 108.620 108.800 -0.357 0.000 2.920 124 G HA2 0.193 4.153 3.960 -0.000 0.000 0.208 124 G HA3 0.193 4.153 3.960 -0.000 0.000 0.208 124 G C 1.281 176.117 174.900 -0.106 0.000 1.159 124 G CA 0.338 45.283 45.100 -0.260 0.000 0.784 124 G HN 0.387 nan 8.290 nan 0.000 0.535 125 G N 0.013 108.763 108.800 -0.083 0.000 2.361 125 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.294 125 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.294 125 G C 0.433 175.315 174.900 -0.029 0.000 1.004 125 G CA 0.506 45.582 45.100 -0.039 0.000 0.870 125 G HN 0.479 nan 8.290 nan 0.000 0.510 126 L N -1.060 120.140 121.223 -0.038 0.000 2.454 126 L HA 0.357 4.697 4.340 -0.000 0.000 0.256 126 L C 1.258 178.124 176.870 -0.007 0.000 1.136 126 L CA -0.719 54.111 54.840 -0.017 0.000 0.804 126 L CB 0.608 42.660 42.059 -0.012 0.000 1.181 126 L HN -0.014 nan 8.230 nan 0.000 0.469 127 D N -0.342 120.060 120.400 0.003 0.000 2.259 127 D HA 0.047 4.687 4.640 -0.000 0.000 0.216 127 D C 0.387 176.696 176.300 0.015 0.000 0.961 127 D CA 0.773 54.778 54.000 0.008 0.000 0.878 127 D CB 0.542 41.348 40.800 0.011 0.000 1.009 127 D HN 0.392 nan 8.370 nan 0.000 0.490 128 R N -0.570 119.943 120.500 0.022 0.000 2.733 128 R HA 0.498 4.838 4.340 -0.000 0.000 0.272 128 R C -1.670 174.657 176.300 0.044 0.000 1.029 128 R CA -0.689 55.431 56.100 0.034 0.000 0.888 128 R CB 0.974 31.298 30.300 0.039 0.000 1.251 128 R HN -0.148 nan 8.270 nan 0.000 0.464 129 V N -1.162 118.788 119.914 0.060 0.000 2.962 129 V HA 0.660 4.780 4.120 -0.000 0.000 0.313 129 V C -0.341 175.813 176.094 0.099 0.000 1.099 129 V CA -0.992 61.354 62.300 0.076 0.000 0.971 129 V CB 2.040 33.917 31.823 0.090 0.000 1.028 129 V HN 0.823 nan 8.190 nan 0.000 0.430 130 E N 0.593 120.856 120.200 0.105 0.000 2.343 130 E HA 0.836 5.186 4.350 -0.000 0.000 0.270 130 E C -1.083 175.610 176.600 0.156 0.000 0.895 130 E CA -0.921 55.571 56.400 0.154 0.000 0.767 130 E CB 2.568 32.378 29.700 0.184 0.000 1.248 130 E HN 1.083 nan 8.360 nan 0.000 0.440 131 A N 1.989 124.960 122.820 0.252 0.000 2.398 131 A HA 0.529 4.849 4.320 -0.000 0.000 0.301 131 A C -1.987 175.847 177.584 0.416 0.000 1.041 131 A CA -0.633 51.539 52.037 0.224 0.000 0.711 131 A CB 0.737 19.889 19.000 0.252 0.000 1.240 131 A HN 0.464 nan 8.150 nan 0.000 0.420 132 W N 2.690 123.958 121.300 -0.054 0.000 2.278 132 W HA 0.643 5.303 4.660 -0.000 0.000 0.317 132 W C -0.820 175.658 176.519 -0.069 0.000 1.030 132 W CA -1.012 56.309 57.345 -0.039 0.000 1.334 132 W CB 0.916 30.363 29.460 -0.022 0.000 1.215 132 W HN 0.386 nan 8.180 nan 0.000 0.405 133 I N 1.603 122.252 120.570 0.132 0.000 2.530 133 I HA 0.187 4.357 4.170 -0.000 0.000 0.297 133 I C 0.517 176.658 176.117 0.041 0.000 1.011 133 I CA -1.040 60.283 61.300 0.039 0.000 1.107 133 I CB 1.697 39.694 38.000 -0.005 0.000 1.285 133 I HN 0.253 nan 8.210 nan 0.000 0.436 134 E N 3.701 123.938 120.200 0.061 0.000 2.398 134 E HA 0.205 4.555 4.350 -0.000 0.000 0.263 134 E C 1.047 177.676 176.600 0.048 0.000 1.046 134 E CA 0.318 56.795 56.400 0.128 0.000 0.908 134 E CB 1.101 30.974 29.700 0.288 0.000 0.963 134 E HN 0.748 nan 8.360 nan 0.000 0.431 135 A N 3.724 126.597 122.820 0.088 0.000 1.896 135 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 135 A C 1.919 179.531 177.584 0.047 0.000 1.206 135 A CA 2.235 54.304 52.037 0.054 0.000 0.647 135 A CB -1.228 17.814 19.000 0.071 0.000 0.828 135 A HN 0.790 nan 8.150 nan 0.000 0.455 136 G N -1.263 107.639 108.800 0.170 0.000 2.813 136 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.209 136 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.209 136 G C 0.756 175.551 174.900 -0.174 0.000 1.150 136 G CA 0.276 45.491 45.100 0.192 0.000 0.785 136 G HN 0.467 nan 8.290 nan 0.000 0.535 137 N N 1.150 119.396 118.700 -0.756 0.000 2.814 137 N HA 0.037 4.777 4.740 -0.000 0.000 0.304 137 N C 1.609 176.760 175.510 -0.598 0.000 1.211 137 N CA -0.063 52.164 53.050 -1.371 0.000 1.158 137 N CB -0.067 37.691 38.487 -1.214 0.000 1.458 137 N HN 0.293 nan 8.380 nan 0.000 0.519 138 R N 1.318 121.586 120.500 -0.386 0.000 2.094 138 R HA -0.175 4.164 4.340 -0.000 0.000 0.239 138 R C 2.093 178.273 176.300 -0.200 0.000 1.137 138 R CA 1.656 57.636 56.100 -0.200 0.000 0.943 138 R CB -0.041 30.195 30.300 -0.106 0.000 0.850 138 R HN 0.439 nan 8.270 nan 0.000 0.433 139 R N -0.461 119.883 120.500 -0.259 0.000 2.103 139 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 139 R C 2.307 178.522 176.300 -0.142 0.000 1.142 139 R CA 2.113 58.072 56.100 -0.235 0.000 0.960 139 R CB -0.391 29.687 30.300 -0.370 0.000 0.858 139 R HN 0.156 nan 8.270 nan 0.000 0.439 140 S N -0.107 115.503 115.700 -0.150 0.000 2.414 140 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 140 S C 1.874 176.552 174.600 0.130 0.000 1.022 140 S CA 0.551 58.806 58.200 0.091 0.000 0.958 140 S CB -0.046 63.148 63.200 -0.010 0.000 0.797 140 S HN 0.363 nan 8.310 nan 0.000 0.493 141 L N 0.973 122.185 121.223 -0.019 0.000 2.201 141 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 141 L C 2.786 179.664 176.870 0.012 0.000 1.105 141 L CA 0.970 55.814 54.840 0.007 0.000 0.775 141 L CB -0.577 41.452 42.059 -0.050 0.000 0.913 141 L HN 0.377 nan 8.230 nan 0.000 0.440 142 A N -0.205 122.602 122.820 -0.021 0.000 1.855 142 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 142 A C 2.344 179.906 177.584 -0.037 0.000 1.191 142 A CA 1.541 53.556 52.037 -0.037 0.000 0.613 142 A CB -0.846 18.116 19.000 -0.063 0.000 0.829 142 A HN 0.115 nan 8.150 nan 0.000 0.442 143 V N 0.122 120.011 119.914 -0.042 0.000 2.252 143 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 143 V C 3.083 179.110 176.094 -0.112 0.000 1.056 143 V CA 2.253 64.467 62.300 -0.144 0.000 1.022 143 V CB -1.378 30.273 31.823 -0.286 0.000 0.641 143 V HN 0.659 nan 8.190 nan 0.000 0.445 144 A N -0.006 122.852 122.820 0.065 0.000 1.859 144 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 144 A C 2.465 180.072 177.584 0.038 0.000 1.209 144 A CA 3.103 55.221 52.037 0.133 0.000 0.639 144 A CB -1.268 17.867 19.000 0.226 0.000 0.835 144 A HN 0.698 nan 8.150 nan 0.000 0.450 145 A N -0.895 121.939 122.820 0.024 0.000 1.892 145 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 145 A C 2.269 179.840 177.584 -0.021 0.000 1.188 145 A CA 1.994 54.032 52.037 0.001 0.000 0.631 145 A CB -0.559 18.436 19.000 -0.008 0.000 0.822 145 A HN 0.566 nan 8.150 nan 0.000 0.447 146 R N -1.043 119.430 120.500 -0.044 0.000 2.120 146 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 146 R C 1.890 178.152 176.300 -0.064 0.000 1.123 146 R CA 1.370 57.434 56.100 -0.060 0.000 0.975 146 R CB -0.313 29.937 30.300 -0.084 0.000 0.866 146 R HN 0.408 nan 8.270 nan 0.000 0.446 147 V N -1.167 118.702 119.914 -0.074 0.000 2.719 147 V HA 0.029 4.149 4.120 -0.000 0.000 0.252 147 V C 1.422 177.501 176.094 -0.026 0.000 1.065 147 V CA 1.659 63.917 62.300 -0.070 0.000 1.086 147 V CB 0.553 32.313 31.823 -0.104 0.000 0.700 147 V HN 0.718 nan 8.190 nan 0.000 0.467 148 G N -0.693 108.102 108.800 -0.007 0.000 2.227 148 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.168 148 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.168 148 G C 0.017 174.932 174.900 0.026 0.000 1.006 148 G CA -0.318 44.785 45.100 0.006 0.000 0.684 148 G HN 0.348 nan 8.290 nan 0.000 0.489 149 L N 2.041 123.291 121.223 0.043 0.000 2.371 149 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 149 L C 0.886 177.786 176.870 0.050 0.000 1.124 149 L CA 0.389 55.270 54.840 0.068 0.000 0.816 149 L CB 1.362 43.491 42.059 0.117 0.000 1.129 149 L HN 0.369 nan 8.230 nan 0.000 0.448 150 T N -1.373 113.209 114.554 0.046 0.000 2.916 150 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 150 T C -0.501 174.215 174.700 0.027 0.000 1.031 150 T CA -0.950 61.167 62.100 0.028 0.000 0.993 150 T CB 1.733 70.611 68.868 0.016 0.000 1.045 150 T HN 0.635 nan 8.240 nan 0.000 0.454 151 E N 1.375 121.582 120.200 0.012 0.000 2.652 151 E HA -0.019 4.331 4.350 -0.000 0.000 0.255 151 E C 0.543 177.140 176.600 -0.005 0.000 0.952 151 E CA -0.028 56.371 56.400 -0.002 0.000 0.947 151 E CB 0.480 30.165 29.700 -0.024 0.000 0.912 151 E HN 0.512 nan 8.360 nan 0.000 0.489 152 R N 2.982 123.479 120.500 -0.004 0.000 2.164 152 R HA 0.435 4.775 4.340 -0.000 0.000 0.198 152 R C -0.236 176.046 176.300 -0.029 0.000 1.028 152 R CA 0.951 57.049 56.100 -0.004 0.000 1.083 152 R CB 0.253 30.567 30.300 0.023 0.000 1.026 152 R HN 0.561 nan 8.270 nan 0.000 0.514 153 A N -0.743 122.043 122.820 -0.057 0.000 2.809 153 A HA 0.777 5.097 4.320 -0.000 0.000 0.310 153 A C -1.435 176.071 177.584 -0.129 0.000 1.138 153 A CA -0.647 51.339 52.037 -0.085 0.000 0.610 153 A CB 1.002 19.953 19.000 -0.082 0.000 1.432 153 A HN 0.056 nan 8.150 nan 0.000 0.597 154 R N -1.322 119.088 120.500 -0.150 0.000 2.707 154 R HA 0.676 5.016 4.340 -0.000 0.000 0.272 154 R C -1.867 174.310 176.300 -0.204 0.000 1.011 154 R CA -0.577 55.416 56.100 -0.180 0.000 0.893 154 R CB 2.186 32.409 30.300 -0.128 0.000 1.233 154 R HN 1.032 nan 8.270 nan 0.000 0.464 155 L N -1.425 119.646 121.223 -0.253 0.000 2.518 155 L HA 0.929 5.269 4.340 -0.000 0.000 0.257 155 L C -0.832 175.907 176.870 -0.219 0.000 0.980 155 L CA -0.962 53.732 54.840 -0.243 0.000 0.837 155 L CB 1.909 43.749 42.059 -0.366 0.000 1.410 155 L HN 0.682 nan 8.230 nan 0.000 0.410 156 A N 1.151 123.869 122.820 -0.169 0.000 2.287 156 A HA 0.852 5.171 4.320 -0.000 0.000 0.273 156 A C -0.411 177.025 177.584 -0.246 0.000 1.091 156 A CA -0.230 51.696 52.037 -0.186 0.000 0.817 156 A CB 1.075 20.009 19.000 -0.111 0.000 1.069 156 A HN 0.821 nan 8.150 nan 0.000 0.492 157 Q N -0.826 118.727 119.800 -0.413 0.000 2.545 157 Q HA 0.260 4.600 4.340 -0.000 0.000 0.273 157 Q C -2.174 173.477 176.000 -0.582 0.000 0.975 157 Q CA -0.493 55.045 55.803 -0.442 0.000 0.876 157 Q CB 2.182 30.631 28.738 -0.482 0.000 1.472 157 Q HN 0.990 nan 8.270 nan 0.000 0.389 158 H N 1.395 120.322 119.070 -0.239 0.000 2.609 158 H HA 0.494 5.050 4.556 -0.000 0.000 0.344 158 H C -1.647 173.816 175.328 0.225 0.000 1.040 158 H CA -0.223 55.787 56.048 -0.063 0.000 1.216 158 H CB 0.760 30.516 29.762 -0.010 0.000 1.529 158 H HN 0.347 nan 8.280 nan 0.000 0.519 159 Y N 6.332 126.443 120.300 -0.315 0.000 2.367 159 Y HA 0.213 4.763 4.550 -0.000 0.000 0.342 159 Y C -1.642 174.036 175.900 -0.370 0.000 0.979 159 Y CA -3.149 54.851 58.100 -0.167 0.000 1.161 159 Y CB 1.097 39.473 38.460 -0.140 0.000 1.155 159 Y HN 0.705 nan 8.280 nan 0.000 0.503 160 P HA -0.226 nan 4.420 nan 0.000 0.218 160 P C 0.771 178.160 177.300 0.148 0.000 1.150 160 P CA 2.024 65.263 63.100 0.231 0.000 0.841 160 P CB -0.030 31.807 31.700 0.228 0.000 0.784 161 H N -2.985 116.135 119.070 0.082 0.000 2.566 161 H HA 0.275 4.831 4.556 -0.000 0.000 0.280 161 H C 0.551 175.904 175.328 0.042 0.000 1.042 161 H CA -0.250 55.834 56.048 0.060 0.000 1.168 161 H CB -0.279 29.509 29.762 0.044 0.000 1.340 161 H HN -0.073 nan 8.280 nan 0.000 0.597 162 R N 0.938 121.200 120.500 -0.396 0.000 2.803 162 R HA 0.187 4.527 4.340 -0.000 0.000 0.276 162 R C -1.658 174.570 176.300 -0.120 0.000 0.978 162 R CA -1.921 53.966 56.100 -0.356 0.000 0.939 162 R CB 1.591 31.598 30.300 -0.487 0.000 1.179 162 R HN 0.176 nan 8.270 nan 0.000 0.472 163 P HA -0.092 nan 4.420 nan 0.000 0.211 163 P C 0.495 177.873 177.300 0.129 0.000 1.179 163 P CA 1.091 64.215 63.100 0.040 0.000 0.910 163 P CB 0.289 31.995 31.700 0.010 0.000 0.785 164 G N -0.979 107.875 108.800 0.091 0.000 2.818 164 G HA2 0.564 4.524 3.960 -0.000 0.000 0.286 164 G HA3 0.564 4.524 3.960 -0.000 0.000 0.286 164 G C -2.893 172.116 174.900 0.181 0.000 1.364 164 G CA -1.433 43.769 45.100 0.171 0.000 0.938 164 G HN -0.015 nan 8.290 nan 0.000 0.490 165 P HA 0.197 nan 4.420 nan 0.000 0.280 165 P C -0.844 176.485 177.300 0.048 0.000 1.278 165 P CA 0.167 63.325 63.100 0.098 0.000 0.787 165 P CB 0.642 32.367 31.700 0.041 0.000 1.163 166 H N -3.495 115.515 119.070 -0.100 0.000 2.948 166 H HA 0.451 5.007 4.556 -0.000 0.000 0.315 166 H C -1.011 174.263 175.328 -0.089 0.000 1.360 166 H CA -0.790 55.197 56.048 -0.102 0.000 1.125 166 H CB 1.021 30.686 29.762 -0.161 0.000 1.844 166 H HN 0.457 nan 8.280 nan 0.000 0.529 170 V N 5.872 125.669 119.914 -0.196 0.000 2.353 170 V HA 0.444 4.564 4.120 -0.000 0.000 0.264 170 V C -0.114 175.993 176.094 0.021 0.000 1.049 170 V CA -0.089 62.130 62.300 -0.136 0.000 0.896 170 V CB 0.855 32.565 31.823 -0.189 0.000 1.025 170 V HN 0.628 nan 8.190 nan 0.000 0.475 171 L N 4.929 126.220 121.223 0.114 0.000 2.322 171 L HA 0.912 5.252 4.340 -0.000 0.000 0.281 171 L C 0.607 177.564 176.870 0.145 0.000 1.014 171 L CA 0.004 54.910 54.840 0.109 0.000 0.815 171 L CB 1.835 43.962 42.059 0.115 0.000 1.247 171 L HN 0.707 nan 8.230 nan 0.000 0.421 172 G N 1.806 110.670 108.800 0.107 0.000 2.694 172 G HA2 0.616 4.576 3.960 -0.000 0.000 0.290 172 G HA3 0.616 4.576 3.960 -0.000 0.000 0.290 172 G C -1.907 173.040 174.900 0.078 0.000 1.386 172 G CA -0.424 44.741 45.100 0.108 0.000 0.872 172 G HN 0.310 nan 8.290 nan 0.000 0.475 173 K N -0.245 120.199 120.400 0.073 0.000 2.513 173 K HA 0.672 4.992 4.320 -0.000 0.000 0.251 173 K C -0.963 175.664 176.600 0.045 0.000 0.939 173 K CA -0.542 55.776 56.287 0.052 0.000 0.793 173 K CB 2.163 34.693 32.500 0.050 0.000 1.241 173 K HN 0.807 nan 8.250 nan 0.000 0.431 174 A N 2.822 125.662 122.820 0.033 0.000 2.322 174 A HA 0.462 4.781 4.320 -0.000 0.000 0.327 174 A C 0.898 178.493 177.584 0.019 0.000 1.134 174 A CA -0.619 51.434 52.037 0.027 0.000 0.831 174 A CB 1.491 20.506 19.000 0.025 0.000 1.288 174 A HN 0.953 nan 8.150 nan 0.000 0.472 175 R N 0.076 120.585 120.500 0.015 0.000 2.062 175 R HA 0.096 4.436 4.340 -0.000 0.000 0.231 175 R C 0.419 176.724 176.300 0.009 0.000 1.136 175 R CA 1.791 57.896 56.100 0.009 0.000 0.948 175 R CB -0.083 30.220 30.300 0.005 0.000 0.845 175 R HN 0.891 nan 8.270 nan 0.000 0.430 176 A N 0.685 123.511 122.820 0.010 0.000 2.398 176 A HA 0.382 4.702 4.320 -0.000 0.000 0.301 176 A C -1.424 176.167 177.584 0.011 0.000 1.041 176 A CA -0.697 51.345 52.037 0.009 0.000 0.711 176 A CB 1.723 20.727 19.000 0.007 0.000 1.240 176 A HN 0.331 nan 8.150 nan 0.000 0.420 177 E N 0.402 120.609 120.200 0.011 0.000 2.374 177 E HA 0.374 4.724 4.350 -0.000 0.000 0.260 177 E C -0.508 176.099 176.600 0.011 0.000 1.101 177 E CA -0.056 56.351 56.400 0.012 0.000 0.907 177 E CB 0.684 30.391 29.700 0.011 0.000 1.014 177 E HN 0.548 nan 8.360 nan 0.000 0.427 178 E N 3.171 123.378 120.200 0.012 0.000 2.044 178 E HA 0.137 4.487 4.350 -0.000 0.000 0.282 178 E C -1.740 174.865 176.600 0.010 0.000 1.031 178 E CA -1.748 54.658 56.400 0.011 0.000 0.824 178 E CB 0.903 30.611 29.700 0.012 0.000 1.076 178 E HN 0.308 nan 8.360 nan 0.000 0.395 179 P HA -0.161 nan 4.420 nan 0.000 0.216 179 P C -0.155 177.150 177.300 0.008 0.000 1.150 179 P CA 0.886 63.991 63.100 0.007 0.000 0.837 179 P CB 0.341 32.045 31.700 0.006 0.000 0.786 180 L N 0.030 121.258 121.223 0.008 0.000 2.259 180 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 180 L C 0.644 177.521 176.870 0.010 0.000 1.051 180 L CA -0.025 54.821 54.840 0.009 0.000 0.824 180 L CB 1.247 43.311 42.059 0.008 0.000 1.206 180 L HN -0.051 nan 8.230 nan 0.000 0.429 181 T N 0.672 115.233 114.554 0.011 0.000 2.883 181 T HA 0.559 4.909 4.350 -0.000 0.000 0.296 181 T C -0.425 174.283 174.700 0.013 0.000 1.117 181 T CA -0.442 61.665 62.100 0.012 0.000 1.006 181 T CB 1.752 70.627 68.868 0.012 0.000 1.191 181 T HN 0.347 nan 8.240 nan 0.000 0.508 182 T N 3.618 118.181 114.554 0.014 0.000 2.829 182 T HA 0.479 4.829 4.350 -0.000 0.000 0.282 182 T C 1.198 175.908 174.700 0.017 0.000 0.990 182 T CA -0.685 61.425 62.100 0.017 0.000 1.028 182 T CB 1.105 69.984 68.868 0.017 0.000 0.951 182 T HN 0.535 nan 8.240 nan 0.000 0.460 183 L N 1.240 122.474 121.223 0.019 0.000 2.357 183 L HA 0.513 4.853 4.340 -0.000 0.000 0.211 183 L C 1.060 177.944 176.870 0.022 0.000 1.075 183 L CA 0.137 54.988 54.840 0.018 0.000 0.830 183 L CB -0.029 42.041 42.059 0.019 0.000 0.996 183 L HN 0.671 nan 8.230 nan 0.000 0.467 184 A N -0.594 122.243 122.820 0.028 0.000 2.612 184 A HA 0.652 4.972 4.320 -0.000 0.000 0.293 184 A C -1.495 176.113 177.584 0.039 0.000 1.075 184 A CA -0.338 51.719 52.037 0.033 0.000 0.680 184 A CB 1.843 20.866 19.000 0.038 0.000 1.279 184 A HN -0.223 nan 8.150 nan 0.000 0.411 185 V N 2.762 122.702 119.914 0.043 0.000 2.357 185 V HA 0.322 4.442 4.120 -0.000 0.000 0.281 185 V C -0.720 175.411 176.094 0.062 0.000 1.015 185 V CA -0.257 62.071 62.300 0.047 0.000 0.827 185 V CB 1.197 33.042 31.823 0.037 0.000 1.018 185 V HN 0.660 nan 8.190 nan 0.000 0.432 186 I N 3.493 124.107 120.570 0.072 0.000 2.257 186 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 186 I C 0.984 177.160 176.117 0.098 0.000 1.137 186 I CA 0.145 61.500 61.300 0.091 0.000 1.255 186 I CB 0.526 38.582 38.000 0.093 0.000 1.485 186 I HN 0.599 nan 8.210 nan 0.000 0.534 187 T N 3.199 117.806 114.554 0.089 0.000 2.926 187 T HA 0.142 4.492 4.350 -0.000 0.000 0.307 187 T C -0.007 174.733 174.700 0.068 0.000 1.059 187 T CA -0.042 62.091 62.100 0.056 0.000 1.122 187 T CB 1.589 70.463 68.868 0.009 0.000 0.972 187 T HN 0.690 nan 8.240 nan 0.000 0.545 188 E N 2.644 122.872 120.200 0.047 0.000 2.222 188 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 188 E C -1.103 175.466 176.600 -0.052 0.000 0.982 188 E CA -0.871 55.562 56.400 0.055 0.000 0.842 188 E CB 0.890 30.661 29.700 0.117 0.000 1.144 188 E HN 0.659 nan 8.360 nan 0.000 0.397 189 L N 4.867 126.040 121.223 -0.084 0.000 2.404 189 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 189 L C -2.394 174.407 176.870 -0.114 0.000 0.980 189 L CA -2.292 52.382 54.840 -0.277 0.000 0.836 189 L CB 2.044 43.824 42.059 -0.464 0.000 1.238 189 L HN 0.459 nan 8.230 nan 0.000 0.408 190 P HA 0.159 nan 4.420 nan 0.000 0.284 190 P C -0.543 176.869 177.300 0.185 0.000 1.343 190 P CA -0.244 62.919 63.100 0.105 0.000 0.826 190 P CB 1.041 32.816 31.700 0.125 0.000 0.956 191 V N 1.839 121.828 119.914 0.125 0.000 2.881 191 V HA 0.545 4.665 4.120 -0.000 0.000 0.316 191 V C 1.516 177.664 176.094 0.090 0.000 1.070 191 V CA -0.923 61.454 62.300 0.130 0.000 0.976 191 V CB 2.062 33.943 31.823 0.097 0.000 1.038 191 V HN 0.066 nan 8.190 nan 0.000 0.446 192 R N 0.648 121.192 120.500 0.074 0.000 2.061 192 R HA 0.076 4.416 4.340 -0.000 0.000 0.230 192 R C 0.612 176.940 176.300 0.047 0.000 1.140 192 R CA 1.939 58.070 56.100 0.052 0.000 0.940 192 R CB -0.209 30.114 30.300 0.038 0.000 0.839 192 R HN 0.974 nan 8.270 nan 0.000 0.429 193 D N -0.571 119.855 120.400 0.043 0.000 2.464 193 D HA 0.119 4.759 4.640 -0.000 0.000 0.243 193 D C 0.798 177.119 176.300 0.035 0.000 1.104 193 D CA -0.221 53.800 54.000 0.036 0.000 0.883 193 D CB 1.274 42.090 40.800 0.027 0.000 1.050 193 D HN -0.170 nan 8.370 nan 0.000 0.524 194 V N 3.676 123.611 119.914 0.035 0.000 2.252 194 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 194 V C 2.531 178.630 176.094 0.007 0.000 1.056 194 V CA 2.432 64.745 62.300 0.023 0.000 1.022 194 V CB -0.810 31.026 31.823 0.020 0.000 0.641 194 V HN 0.690 nan 8.190 nan 0.000 0.445 195 A N -0.321 122.504 122.820 0.008 0.000 1.986 195 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 195 A C 2.356 179.941 177.584 0.001 0.000 1.171 195 A CA 2.352 54.389 52.037 -0.000 0.000 0.640 195 A CB -0.689 18.314 19.000 0.005 0.000 0.811 195 A HN 0.633 nan 8.150 nan 0.000 0.451 196 A N -1.331 121.495 122.820 0.010 0.000 1.898 196 A HA 0.019 4.338 4.320 -0.000 0.000 0.214 196 A C 2.279 179.873 177.584 0.017 0.000 1.183 196 A CA 1.989 54.034 52.037 0.012 0.000 0.622 196 A CB -1.037 17.973 19.000 0.017 0.000 0.824 196 A HN 0.417 nan 8.150 nan 0.000 0.444 197 T N 0.666 115.235 114.554 0.025 0.000 2.777 197 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 197 T C 1.829 176.547 174.700 0.031 0.000 1.040 197 T CA 1.304 63.428 62.100 0.040 0.000 1.141 197 T CB -0.383 68.519 68.868 0.056 0.000 0.868 197 T HN 0.328 nan 8.240 nan 0.000 0.444 198 L N 0.594 121.819 121.223 0.003 0.000 2.012 198 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 198 L C 2.954 179.810 176.870 -0.023 0.000 1.073 198 L CA 1.576 56.399 54.840 -0.029 0.000 0.748 198 L CB -0.471 41.555 42.059 -0.056 0.000 0.891 198 L HN 0.209 nan 8.230 nan 0.000 0.431 199 R N -0.445 120.046 120.500 -0.015 0.000 2.096 199 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 199 R C 2.240 178.538 176.300 -0.004 0.000 1.127 199 R CA 1.087 57.179 56.100 -0.014 0.000 0.968 199 R CB -0.398 29.896 30.300 -0.010 0.000 0.861 199 R HN 0.388 nan 8.270 nan 0.000 0.440 200 L N 1.358 122.586 121.223 0.010 0.000 2.005 200 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 200 L C 2.450 179.338 176.870 0.029 0.000 1.072 200 L CA 1.668 56.520 54.840 0.020 0.000 0.744 200 L CB -0.379 41.700 42.059 0.032 0.000 0.895 200 L HN 0.145 nan 8.230 nan 0.000 0.433 201 V N -2.870 117.070 119.914 0.043 0.000 2.515 201 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 201 V C 2.169 178.271 176.094 0.012 0.000 1.058 201 V CA 1.664 64.001 62.300 0.061 0.000 1.064 201 V CB -0.649 31.245 31.823 0.120 0.000 0.675 201 V HN 0.404 nan 8.190 nan 0.000 0.461 202 E N 1.047 121.237 120.200 -0.017 0.000 2.058 202 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 202 E C 2.284 178.870 176.600 -0.024 0.000 0.997 202 E CA 2.071 58.447 56.400 -0.039 0.000 0.801 202 E CB -0.543 29.129 29.700 -0.046 0.000 0.746 202 E HN 0.754 nan 8.360 nan 0.000 0.450 203 A N 0.439 123.252 122.820 -0.012 0.000 1.843 203 A HA 0.059 4.378 4.320 -0.000 0.000 0.213 203 A C 2.333 179.918 177.584 0.002 0.000 1.202 203 A CA 1.556 53.587 52.037 -0.009 0.000 0.607 203 A CB -0.870 18.124 19.000 -0.010 0.000 0.847 203 A HN 0.321 nan 8.150 nan 0.000 0.445 204 A N -0.592 122.239 122.820 0.019 0.000 1.930 204 A HA 0.113 4.432 4.320 -0.000 0.000 0.217 204 A C 1.787 179.408 177.584 0.063 0.000 1.175 204 A CA 1.457 53.518 52.037 0.040 0.000 0.627 204 A CB -0.407 18.628 19.000 0.059 0.000 0.815 204 A HN 0.459 nan 8.150 nan 0.000 0.443 205 L N -1.531 119.725 121.223 0.055 0.000 2.808 205 L HA 0.314 4.654 4.340 -0.000 0.000 0.246 205 L C 1.279 178.161 176.870 0.019 0.000 1.153 205 L CA 0.235 55.109 54.840 0.057 0.000 0.956 205 L CB -0.062 42.046 42.059 0.082 0.000 1.270 205 L HN 0.483 nan 8.230 nan 0.000 0.528 206 G N 1.529 110.329 108.800 0.000 0.000 2.305 206 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.287 206 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.287 206 G C 0.440 175.308 174.900 -0.053 0.000 1.036 206 G CA 0.419 45.504 45.100 -0.025 0.000 0.887 206 G HN 0.533 nan 8.290 nan 0.000 0.505 207 A N -0.466 122.315 122.820 -0.065 0.000 2.240 207 A HA 1.015 5.335 4.320 -0.000 0.000 0.292 207 A C 0.646 178.151 177.584 -0.130 0.000 1.121 207 A CA 0.407 52.371 52.037 -0.121 0.000 0.851 207 A CB 0.634 19.535 19.000 -0.166 0.000 1.167 207 A HN 1.842 nan 8.150 nan 0.000 0.503 208 R N -1.426 118.971 120.500 -0.170 0.000 2.522 208 R HA 0.446 4.786 4.340 -0.000 0.000 0.273 208 R C -1.282 174.907 176.300 -0.184 0.000 1.133 208 R CA -0.272 55.737 56.100 -0.153 0.000 0.969 208 R CB -0.286 29.930 30.300 -0.141 0.000 1.235 208 R HN 0.355 nan 8.270 nan 0.000 0.433 209 T N 2.906 117.362 114.554 -0.163 0.000 2.708 209 T HA 0.102 4.452 4.350 -0.000 0.000 0.257 209 T C 1.544 176.143 174.700 -0.169 0.000 1.002 209 T CA 0.578 62.567 62.100 -0.186 0.000 1.269 209 T CB 0.581 69.371 68.868 -0.129 0.000 0.966 209 T HN 0.732 nan 8.240 nan 0.000 0.534 210 A N 3.956 126.630 122.820 -0.245 0.000 1.902 210 A HA 0.286 4.606 4.320 -0.000 0.000 0.217 210 A C 0.635 178.215 177.584 -0.008 0.000 1.181 210 A CA 0.893 52.834 52.037 -0.160 0.000 0.623 210 A CB -0.405 18.451 19.000 -0.240 0.000 0.818 210 A HN 0.897 nan 8.150 nan 0.000 0.443 211 F N -5.469 114.419 119.950 -0.104 0.000 2.769 211 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 211 F C -0.948 174.790 175.800 -0.103 0.000 1.146 211 F CA -1.368 56.586 58.000 -0.077 0.000 0.934 211 F CB 0.550 39.525 39.000 -0.042 0.000 1.283 211 F HN 0.489 nan 8.300 nan 0.000 0.443 212 A N 2.481 125.480 122.820 0.298 0.000 2.540 212 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 212 A C -1.941 175.758 177.584 0.192 0.000 1.056 212 A CA -0.582 51.560 52.037 0.175 0.000 0.700 212 A CB 1.115 20.128 19.000 0.021 0.000 1.280 212 A HN 0.844 nan 8.150 nan 0.000 0.398 213 I N 1.318 122.023 120.570 0.223 0.000 2.562 213 I HA 0.798 4.968 4.170 -0.000 0.000 0.301 213 I C 0.711 176.912 176.117 0.141 0.000 1.003 213 I CA 0.286 61.692 61.300 0.177 0.000 1.127 213 I CB 2.147 40.275 38.000 0.213 0.000 1.304 213 I HN 1.563 nan 8.210 nan 0.000 0.446 214 G N 3.255 112.112 108.800 0.095 0.000 2.675 214 G HA2 0.049 4.009 3.960 -0.000 0.000 0.686 214 G HA3 0.049 4.009 3.960 -0.000 0.000 0.686 214 G C -1.463 173.471 174.900 0.056 0.000 1.215 214 G CA -0.776 44.369 45.100 0.075 0.000 0.777 214 G HN 0.916 nan 8.290 nan 0.000 0.638 215 D N 1.530 121.956 120.400 0.043 0.000 2.336 215 D HA 0.606 5.246 4.640 -0.000 0.000 0.248 215 D C -1.225 175.092 176.300 0.029 0.000 1.326 215 D CA -0.856 53.163 54.000 0.033 0.000 0.973 215 D CB 0.919 41.735 40.800 0.026 0.000 1.255 215 D HN 0.470 nan 8.370 nan 0.000 0.558 216 P HA 0.296 nan 4.420 nan 0.000 0.271 216 P C -2.569 174.756 177.300 0.043 0.000 1.233 216 P CA -1.166 61.952 63.100 0.030 0.000 0.789 216 P CB -0.163 31.553 31.700 0.026 0.000 0.951 217 P HA -0.025 nan 4.420 nan 0.000 0.262 217 P C -0.075 177.272 177.300 0.079 0.000 1.182 217 P CA 0.541 63.677 63.100 0.061 0.000 0.761 217 P CB 0.771 32.492 31.700 0.035 0.000 0.795 218 E N 1.416 121.689 120.200 0.122 0.000 2.473 218 E HA 0.139 4.489 4.350 -0.000 0.000 0.204 218 E C -0.180 176.571 176.600 0.251 0.000 0.994 218 E CA 0.245 56.732 56.400 0.146 0.000 0.945 218 E CB 0.405 30.181 29.700 0.127 0.000 0.990 218 E HN 0.418 nan 8.360 nan 0.000 0.493 219 F N 0.664 120.652 119.950 0.063 0.000 2.639 219 F HA 0.518 5.045 4.527 -0.000 0.000 0.320 219 F C -1.797 174.061 175.800 0.097 0.000 1.128 219 F CA -0.704 57.344 58.000 0.080 0.000 1.037 219 F CB 1.214 40.276 39.000 0.104 0.000 1.288 219 F HN -0.134 nan 8.300 nan 0.000 0.463 220 A N 4.209 126.604 122.820 -0.709 0.000 2.583 220 A HA 0.738 5.058 4.320 -0.000 0.000 0.289 220 A C -1.752 175.259 177.584 -0.955 0.000 1.151 220 A CA -0.733 50.902 52.037 -0.670 0.000 0.695 220 A CB 1.907 20.713 19.000 -0.323 0.000 1.290 220 A HN 0.815 nan 8.150 nan 0.000 0.419 221 E N 0.079 119.649 120.200 -1.050 0.000 2.234 221 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 221 E C -0.867 175.331 176.600 -0.671 0.000 0.877 221 E CA -0.765 55.058 56.400 -0.962 0.000 0.758 221 E CB 1.864 30.695 29.700 -1.448 0.000 1.170 221 E HN 1.074 nan 8.360 nan 0.000 0.415 222 A N 3.448 125.884 122.820 -0.641 0.000 2.316 222 A HA 0.666 4.986 4.320 -0.000 0.000 0.324 222 A C -0.298 176.905 177.584 -0.635 0.000 1.375 222 A CA -0.315 51.331 52.037 -0.653 0.000 0.882 222 A CB 0.794 19.292 19.000 -0.836 0.000 1.152 222 A HN 0.633 nan 8.150 nan 0.000 0.512 223 A N 2.445 125.025 122.820 -0.400 0.000 2.409 223 A HA 0.520 4.840 4.320 -0.000 0.000 0.267 223 A C 0.527 177.966 177.584 -0.243 0.000 1.127 223 A CA -0.317 51.556 52.037 -0.274 0.000 0.795 223 A CB -0.124 18.771 19.000 -0.174 0.000 1.061 223 A HN 0.891 nan 8.150 nan 0.000 0.502 224 L N 2.435 123.544 121.223 -0.191 0.000 2.612 224 L HA 0.142 4.482 4.340 -0.000 0.000 0.230 224 L C 1.204 178.041 176.870 -0.055 0.000 1.140 224 L CA 0.904 55.673 54.840 -0.117 0.000 0.896 224 L CB -0.384 41.640 42.059 -0.059 0.000 1.065 224 L HN 0.885 nan 8.230 nan 0.000 0.447 225 T N -5.481 109.042 114.554 -0.052 0.000 2.883 225 T HA 0.383 4.733 4.350 -0.000 0.000 0.301 225 T C -2.447 172.166 174.700 -0.145 0.000 1.158 225 T CA -1.565 60.522 62.100 -0.021 0.000 1.007 225 T CB 2.148 71.123 68.868 0.179 0.000 1.186 225 T HN -0.280 nan 8.240 nan 0.000 0.499 226 P HA 0.171 nan 4.420 nan 0.000 0.245 226 P C -0.416 176.518 177.300 -0.610 0.000 1.212 226 P CA 0.015 62.782 63.100 -0.555 0.000 0.774 226 P CB -0.142 31.116 31.700 -0.737 0.000 0.999 227 W N -0.322 120.960 121.300 -0.031 0.000 2.332 227 W HA 0.345 5.005 4.660 -0.000 0.000 0.351 227 W C 1.946 178.453 176.519 -0.020 0.000 1.195 227 W CA -0.599 56.732 57.345 -0.022 0.000 1.334 227 W CB -0.358 29.090 29.460 -0.019 0.000 1.206 227 W HN -0.342 nan 8.180 nan 0.000 0.637 228 S N 0.736 116.590 115.700 0.256 0.000 2.387 228 S HA -0.050 4.420 4.470 -0.000 0.000 0.230 228 S C 0.504 175.174 174.600 0.117 0.000 1.035 228 S CA 1.639 59.924 58.200 0.142 0.000 1.014 228 S CB -0.335 62.940 63.200 0.125 0.000 0.836 228 S HN 0.490 nan 8.310 nan 0.000 0.466 229 A N -1.022 121.878 122.820 0.135 0.000 2.515 229 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 229 A C 0.053 177.693 177.584 0.094 0.000 1.094 229 A CA -0.084 52.006 52.037 0.089 0.000 0.718 229 A CB 1.401 20.437 19.000 0.060 0.000 1.307 229 A HN 0.786 nan 8.150 nan 0.000 0.408 230 G N -0.131 108.705 108.800 0.060 0.000 2.369 230 G HA2 0.398 4.358 3.960 -0.000 0.000 0.295 230 G HA3 0.398 4.358 3.960 -0.000 0.000 0.295 230 G C -3.371 171.549 174.900 0.034 0.000 1.298 230 G CA -0.373 44.759 45.100 0.054 0.000 0.940 230 G HN 0.774 nan 8.290 nan 0.000 0.536 231 P HA 0.226 nan 4.420 nan 0.000 0.259 231 P C 0.072 177.361 177.300 -0.018 0.000 1.163 231 P CA 0.832 63.949 63.100 0.028 0.000 0.760 231 P CB 0.151 31.873 31.700 0.036 0.000 0.762 232 R N 2.008 122.497 120.500 -0.018 0.000 2.829 232 R HA 0.674 5.014 4.340 -0.000 0.000 0.283 232 R C -1.582 174.696 176.300 -0.037 0.000 1.013 232 R CA -0.896 55.101 56.100 -0.172 0.000 0.848 232 R CB 0.708 30.892 30.300 -0.194 0.000 1.291 232 R HN 0.339 nan 8.270 nan 0.000 0.496 233 F N -1.689 118.197 119.950 -0.106 0.000 2.693 233 F HA 0.680 5.207 4.527 -0.000 0.000 0.309 233 F C -1.007 174.686 175.800 -0.178 0.000 1.129 233 F CA -1.395 56.540 58.000 -0.108 0.000 0.948 233 F CB 1.170 40.114 39.000 -0.093 0.000 1.315 233 F HN 0.408 nan 8.300 nan 0.000 0.447 234 R N 1.376 121.940 120.500 0.107 0.000 2.691 234 R HA 0.819 5.159 4.340 -0.000 0.000 0.259 234 R C -1.342 174.957 176.300 -0.002 0.000 1.048 234 R CA -1.023 55.011 56.100 -0.111 0.000 1.086 234 R CB 1.767 32.014 30.300 -0.089 0.000 1.166 234 R HN 0.768 nan 8.270 nan 0.000 0.526 235 L N 0.333 121.455 121.223 -0.169 0.000 2.401 235 L HA 0.666 5.006 4.340 -0.000 0.000 0.266 235 L C -0.684 176.220 176.870 0.058 0.000 0.991 235 L CA -0.989 53.829 54.840 -0.036 0.000 0.818 235 L CB 2.231 44.262 42.059 -0.046 0.000 1.321 235 L HN 0.682 nan 8.230 nan 0.000 0.413 236 A N 2.027 124.933 122.820 0.144 0.000 2.353 236 A HA 0.827 5.147 4.320 -0.000 0.000 0.299 236 A C -0.244 177.424 177.584 0.140 0.000 1.089 236 A CA -0.522 51.652 52.037 0.229 0.000 0.736 236 A CB 1.520 20.664 19.000 0.241 0.000 1.195 236 A HN 0.765 nan 8.150 nan 0.000 0.447 237 A N 2.025 124.926 122.820 0.134 0.000 2.524 237 A HA 0.480 4.800 4.320 -0.000 0.000 0.250 237 A C 0.238 177.871 177.584 0.082 0.000 1.078 237 A CA -0.005 52.088 52.037 0.094 0.000 0.761 237 A CB -0.167 18.884 19.000 0.086 0.000 1.012 237 A HN 1.207 nan 8.150 nan 0.000 0.500 238 V N 6.210 126.167 119.914 0.072 0.000 2.427 238 V HA 0.211 4.331 4.120 -0.000 0.000 0.268 238 V C -1.494 174.628 176.094 0.047 0.000 1.046 238 V CA -0.698 61.639 62.300 0.061 0.000 0.970 238 V CB 0.956 32.815 31.823 0.060 0.000 1.001 238 V HN 0.871 nan 8.190 nan 0.000 0.476 239 P HA 0.403 nan 4.420 nan 0.000 0.225 239 P C 0.078 177.393 177.300 0.025 0.000 1.813 239 P CA 0.323 63.442 63.100 0.032 0.000 1.013 239 P CB 0.426 32.143 31.700 0.029 0.000 1.961 240 G N 2.379 111.194 108.800 0.025 0.000 2.313 240 G HA2 0.317 4.277 3.960 -0.000 0.000 0.296 240 G HA3 0.317 4.277 3.960 -0.000 0.000 0.296 240 G C -2.787 172.123 174.900 0.017 0.000 1.356 240 G CA -0.744 44.368 45.100 0.019 0.000 0.833 240 G HN -0.023 nan 8.290 nan 0.000 0.552 241 P HA 0.229 nan 4.420 nan 0.000 0.260 241 P C 1.097 178.401 177.300 0.006 0.000 1.222 241 P CA 0.775 63.880 63.100 0.009 0.000 0.843 241 P CB 0.658 32.362 31.700 0.008 0.000 1.159 242 G N 3.184 111.988 108.800 0.007 0.000 2.307 242 G HA2 0.231 4.191 3.960 -0.000 0.000 0.271 242 G HA3 0.231 4.191 3.960 -0.000 0.000 0.271 242 G C -2.121 172.779 174.900 -0.000 0.000 1.191 242 G CA -0.289 44.813 45.100 0.003 0.000 1.024 242 G HN 0.141 nan 8.290 nan 0.000 0.441 243 P HA -0.029 nan 4.420 nan 0.000 0.268 243 P C 0.084 177.371 177.300 -0.022 0.000 1.171 243 P CA -0.060 63.028 63.100 -0.020 0.000 0.761 243 P CB 0.523 32.209 31.700 -0.023 0.000 0.786 244 V N 3.191 123.079 119.914 -0.044 0.000 2.481 244 V HA 0.109 4.229 4.120 -0.000 0.000 0.286 244 V C 0.717 176.764 176.094 -0.079 0.000 1.042 244 V CA -0.429 61.844 62.300 -0.046 0.000 0.928 244 V CB 1.243 33.038 31.823 -0.048 0.000 0.986 244 V HN 0.463 nan 8.190 nan 0.000 0.462 245 E N 6.418 126.601 120.200 -0.029 0.000 2.159 245 E HA 0.189 4.539 4.350 -0.000 0.000 0.272 245 E C -2.144 174.441 176.600 -0.025 0.000 1.138 245 E CA -1.601 54.785 56.400 -0.023 0.000 0.915 245 E CB 0.922 30.627 29.700 0.009 0.000 1.028 245 E HN 0.448 nan 8.360 nan 0.000 0.423 246 P HA -0.086 nan 4.420 nan 0.000 0.267 246 P C -0.406 176.969 177.300 0.125 0.000 1.195 246 P CA 0.132 63.186 63.100 -0.076 0.000 0.773 246 P CB 0.575 32.228 31.700 -0.078 0.000 0.837 247 V N 3.648 123.762 119.914 0.333 0.000 2.540 247 V HA 0.350 4.470 4.120 -0.000 0.000 0.302 247 V C 0.567 176.707 176.094 0.077 0.000 1.035 247 V CA -0.724 61.673 62.300 0.162 0.000 0.873 247 V CB 1.764 33.628 31.823 0.067 0.000 0.992 247 V HN 0.440 nan 8.190 nan 0.000 0.428 248 R N 5.471 125.987 120.500 0.026 0.000 2.215 248 R HA 0.610 4.950 4.340 -0.000 0.000 0.336 248 R C -1.200 175.093 176.300 -0.012 0.000 0.996 248 R CA -0.422 55.684 56.100 0.010 0.000 0.847 248 R CB 1.242 31.553 30.300 0.019 0.000 1.127 248 R HN 0.538 nan 8.270 nan 0.000 0.465 249 L N 2.522 123.720 121.223 -0.041 0.000 2.325 249 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 249 L C -0.261 176.610 176.870 0.001 0.000 1.023 249 L CA -0.988 53.822 54.840 -0.050 0.000 0.811 249 L CB 1.575 43.537 42.059 -0.162 0.000 1.249 249 L HN 0.568 nan 8.230 nan 0.000 0.431 250 H N 3.311 122.345 119.070 -0.059 0.000 2.505 250 H HA 0.548 5.104 4.556 -0.000 0.000 0.338 250 H C -1.299 174.006 175.328 -0.038 0.000 1.057 250 H CA -0.450 55.569 56.048 -0.048 0.000 1.202 250 H CB 1.129 30.869 29.762 -0.036 0.000 1.466 250 H HN 0.363 nan 8.280 nan 0.000 0.499 251 L N 4.890 125.886 121.223 -0.379 0.000 2.319 251 L HA 0.297 4.637 4.340 -0.000 0.000 0.281 251 L C -0.575 176.145 176.870 -0.251 0.000 1.005 251 L CA -0.938 53.779 54.840 -0.204 0.000 0.828 251 L CB 1.570 43.550 42.059 -0.131 0.000 1.227 251 L HN 0.649 nan 8.230 nan 0.000 0.415 252 D N 3.254 123.610 120.400 -0.073 0.000 2.317 252 D HA 0.494 5.134 4.640 -0.000 0.000 0.252 252 D C -0.070 176.211 176.300 -0.033 0.000 1.174 252 D CA 0.320 54.306 54.000 -0.022 0.000 0.866 252 D CB 2.081 42.913 40.800 0.053 0.000 1.127 252 D HN 0.607 nan 8.370 nan 0.000 0.467 253 A N 1.557 124.351 122.820 -0.042 0.000 2.387 253 A HA 0.835 5.155 4.320 -0.000 0.000 0.303 253 A C -0.816 176.762 177.584 -0.011 0.000 1.145 253 A CA -0.696 51.328 52.037 -0.022 0.000 0.801 253 A CB 1.619 20.605 19.000 -0.024 0.000 1.342 253 A HN 0.503 nan 8.150 nan 0.000 0.440 254 A N -0.393 122.427 122.820 -0.001 0.000 2.324 254 A HA 0.896 5.216 4.320 -0.000 0.000 0.330 254 A C 0.539 178.131 177.584 0.013 0.000 1.165 254 A CA 0.303 52.338 52.037 -0.003 0.000 0.813 254 A CB 0.551 19.550 19.000 -0.002 0.000 1.197 254 A HN 2.841 nan 8.150 nan 0.000 0.484 255 G N 0.140 108.946 108.800 0.011 0.000 2.352 255 G HA2 0.408 4.368 3.960 -0.000 0.000 0.324 255 G HA3 0.408 4.368 3.960 -0.000 0.000 0.324 255 G C -0.122 174.792 174.900 0.024 0.000 1.249 255 G CA -0.013 45.101 45.100 0.024 0.000 1.053 255 G HN 2.064 nan 8.290 nan 0.000 0.492 256 T N -1.664 112.909 114.554 0.031 0.000 2.867 256 T HA 0.749 5.099 4.350 -0.000 0.000 0.282 256 T C 1.657 176.395 174.700 0.064 0.000 1.000 256 T CA 0.650 62.764 62.100 0.023 0.000 1.042 256 T CB 1.653 70.528 68.868 0.011 0.000 0.973 256 T HN 2.207 nan 8.240 nan 0.000 0.465 257 A N 2.737 125.600 122.820 0.071 0.000 1.917 257 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 257 A C 1.764 179.451 177.584 0.172 0.000 1.182 257 A CA 2.258 54.395 52.037 0.168 0.000 0.633 257 A CB -1.211 17.870 19.000 0.136 0.000 0.819 257 A HN 0.952 nan 8.150 nan 0.000 0.448 258 D N -0.306 120.140 120.400 0.076 0.000 2.103 258 D HA -0.134 4.506 4.640 -0.000 0.000 0.190 258 D C 2.139 178.483 176.300 0.073 0.000 0.997 258 D CA 1.736 55.775 54.000 0.065 0.000 0.833 258 D CB -0.524 40.292 40.800 0.027 0.000 0.961 258 D HN 0.346 nan 8.370 nan 0.000 0.447 259 S N -0.358 115.375 115.700 0.056 0.000 2.387 259 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 259 S C 1.963 176.598 174.600 0.059 0.000 1.035 259 S CA 0.754 58.978 58.200 0.041 0.000 1.014 259 S CB -0.292 62.930 63.200 0.037 0.000 0.836 259 S HN 0.173 nan 8.310 nan 0.000 0.466 260 L N 0.062 121.363 121.223 0.130 0.000 2.044 260 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 260 L C 2.391 179.369 176.870 0.180 0.000 1.075 260 L CA 1.634 56.604 54.840 0.218 0.000 0.747 260 L CB -0.741 41.521 42.059 0.339 0.000 0.903 260 L HN 0.331 nan 8.230 nan 0.000 0.435 261 H N 0.218 119.213 119.070 -0.125 0.000 2.265 261 H HA -0.217 4.339 4.556 -0.000 0.000 0.295 261 H C 2.382 177.466 175.328 -0.406 0.000 1.084 261 H CA 1.921 57.471 56.048 -0.829 0.000 1.261 261 H CB 0.018 29.358 29.762 -0.702 0.000 1.360 261 H HN -0.073 nan 8.280 nan 0.000 0.487 262 R N 0.690 121.004 120.500 -0.310 0.000 2.112 262 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 262 R C 2.709 178.880 176.300 -0.216 0.000 1.137 262 R CA 2.067 58.000 56.100 -0.278 0.000 0.944 262 R CB -0.780 29.456 30.300 -0.107 0.000 0.857 262 R HN 0.511 nan 8.270 nan 0.000 0.435 263 R N -0.398 120.036 120.500 -0.111 0.000 2.094 263 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 263 R C 1.989 178.244 176.300 -0.075 0.000 1.137 263 R CA 2.115 58.179 56.100 -0.060 0.000 0.943 263 R CB -0.549 29.751 30.300 -0.000 0.000 0.850 263 R HN 0.286 nan 8.270 nan 0.000 0.433 264 A N 0.407 123.179 122.820 -0.080 0.000 1.877 264 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 264 A C 2.332 179.837 177.584 -0.131 0.000 1.186 264 A CA 1.737 53.745 52.037 -0.048 0.000 0.620 264 A CB -0.942 18.098 19.000 0.067 0.000 0.822 264 A HN 0.358 nan 8.150 nan 0.000 0.443 265 V N 0.033 119.771 119.914 -0.294 0.000 2.453 265 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 265 V C 1.789 177.785 176.094 -0.164 0.000 1.048 265 V CA 2.777 64.916 62.300 -0.267 0.000 1.049 265 V CB -0.682 30.874 31.823 -0.445 0.000 0.672 265 V HN 0.504 nan 8.190 nan 0.000 0.457 266 D N 0.771 121.077 120.400 -0.156 0.000 2.219 266 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 266 D C 2.088 178.348 176.300 -0.066 0.000 0.970 266 D CA 1.526 55.467 54.000 -0.098 0.000 0.851 266 D CB -0.256 40.492 40.800 -0.087 0.000 0.943 266 D HN 0.593 nan 8.370 nan 0.000 0.488 267 A N -0.300 122.484 122.820 -0.060 0.000 2.168 267 A HA 0.287 4.607 4.320 -0.000 0.000 0.215 267 A C 1.815 179.383 177.584 -0.027 0.000 1.152 267 A CA 1.326 53.343 52.037 -0.033 0.000 0.716 267 A CB -0.349 18.641 19.000 -0.016 0.000 0.794 267 A HN 0.273 nan 8.150 nan 0.000 0.465 268 G N -2.166 106.611 108.800 -0.038 0.000 2.136 268 G HA2 0.083 4.043 3.960 -0.000 0.000 0.242 268 G HA3 0.083 4.043 3.960 -0.000 0.000 0.242 268 G C 0.440 175.331 174.900 -0.014 0.000 0.989 268 G CA 0.487 45.571 45.100 -0.028 0.000 0.682 268 G HN 1.519 nan 8.290 nan 0.000 0.522 269 A N -0.658 122.156 122.820 -0.010 0.000 2.280 269 A HA 0.814 5.134 4.320 -0.000 0.000 0.268 269 A C 0.665 178.259 177.584 0.016 0.000 1.111 269 A CA -0.168 51.878 52.037 0.015 0.000 0.814 269 A CB 0.404 19.428 19.000 0.040 0.000 1.093 269 A HN 0.404 nan 8.150 nan 0.000 0.498 270 R N -0.032 120.490 120.500 0.036 0.000 2.235 270 R HA 0.436 4.776 4.340 -0.000 0.000 0.338 270 R C -1.025 175.317 176.300 0.071 0.000 1.087 270 R CA -0.024 56.100 56.100 0.040 0.000 0.948 270 R CB 0.373 30.695 30.300 0.036 0.000 1.099 270 R HN 0.357 nan 8.270 nan 0.000 0.483 271 V N 3.559 123.512 119.914 0.066 0.000 2.394 271 V HA 0.078 4.198 4.120 -0.000 0.000 0.282 271 V C 1.064 177.225 176.094 0.112 0.000 1.031 271 V CA -0.702 61.669 62.300 0.119 0.000 0.881 271 V CB 1.624 33.491 31.823 0.072 0.000 0.982 271 V HN 0.771 nan 8.190 nan 0.000 0.451 272 D N 3.014 123.498 120.400 0.140 0.000 2.221 272 D HA 0.067 4.707 4.640 -0.000 0.000 0.204 272 D C 0.722 177.069 176.300 0.078 0.000 0.982 272 D CA 1.661 55.721 54.000 0.100 0.000 0.857 272 D CB 0.374 41.238 40.800 0.107 0.000 0.934 272 D HN 0.936 nan 8.370 nan 0.000 0.475 273 G N -0.829 108.024 108.800 0.089 0.000 2.356 273 G HA2 0.227 4.187 3.960 -0.000 0.000 0.300 273 G HA3 0.227 4.187 3.960 -0.000 0.000 0.300 273 G C -2.994 171.864 174.900 -0.070 0.000 1.331 273 G CA -0.645 44.475 45.100 0.033 0.000 0.905 273 G HN 0.033 nan 8.290 nan 0.000 0.587 274 P HA 0.261 nan 4.420 nan 0.000 0.270 274 P C -2.573 174.559 177.300 -0.281 0.000 1.221 274 P CA -0.524 62.328 63.100 -0.414 0.000 0.788 274 P CB -0.587 30.975 31.700 -0.231 0.000 0.904 275 P HA 0.091 nan 4.420 nan 0.000 0.275 275 P C -0.739 176.529 177.300 -0.053 0.000 1.228 275 P CA 0.007 63.077 63.100 -0.051 0.000 0.786 275 P CB 0.299 32.001 31.700 0.004 0.000 0.927 276 V N 0.349 120.248 119.914 -0.024 0.000 2.540 276 V HA 0.636 4.756 4.120 -0.000 0.000 0.302 276 V C -0.002 176.032 176.094 -0.101 0.000 1.035 276 V CA -1.281 60.982 62.300 -0.061 0.000 0.873 276 V CB 1.731 33.522 31.823 -0.053 0.000 0.992 276 V HN 0.299 nan 8.190 nan 0.000 0.428 277 R N 4.452 124.878 120.500 -0.124 0.000 2.248 277 R HA 0.382 4.722 4.340 -0.000 0.000 0.337 277 R C 0.141 176.272 176.300 -0.281 0.000 1.085 277 R CA -0.043 55.953 56.100 -0.174 0.000 0.934 277 R CB -0.043 30.179 30.300 -0.130 0.000 1.034 277 R HN 0.779 nan 8.270 nan 0.000 0.465 278 R N 5.508 125.719 120.500 -0.482 0.000 2.649 278 R HA 0.183 4.523 4.340 -0.000 0.000 0.270 278 R C -1.590 174.253 176.300 -0.761 0.000 1.105 278 R CA -2.215 53.369 56.100 -0.860 0.000 1.193 278 R CB -0.324 28.882 30.300 -1.823 0.000 1.120 278 R HN 0.516 nan 8.270 nan 0.000 0.561 279 P HA -0.111 nan 4.420 nan 0.000 0.218 279 P C 0.488 177.734 177.300 -0.091 0.000 1.149 279 P CA 1.246 64.204 63.100 -0.236 0.000 0.817 279 P CB -0.102 31.584 31.700 -0.024 0.000 0.785 280 W N -0.166 121.149 121.300 0.025 0.000 3.468 280 W HA 0.579 5.239 4.660 -0.000 0.000 0.352 280 W C 0.541 177.087 176.519 0.044 0.000 1.212 280 W CA -0.297 57.065 57.345 0.030 0.000 1.770 280 W CB -1.337 28.134 29.460 0.020 0.000 1.005 280 W HN 0.047 nan 8.180 nan 0.000 0.766 281 G N 1.939 110.702 108.800 -0.062 0.000 2.359 281 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.298 281 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.298 281 G C -0.131 174.761 174.900 -0.012 0.000 1.030 281 G CA -0.213 44.875 45.100 -0.020 0.000 1.149 281 G HN 0.560 nan 8.290 nan 0.000 0.512 282 R N -0.384 120.021 120.500 -0.158 0.000 2.522 282 R HA 0.404 4.744 4.340 -0.000 0.000 0.273 282 R C -0.504 175.727 176.300 -0.114 0.000 1.133 282 R CA -0.610 55.460 56.100 -0.051 0.000 0.969 282 R CB 1.378 31.766 30.300 0.146 0.000 1.235 282 R HN 0.225 nan 8.270 nan 0.000 0.433 283 S N 2.364 118.030 115.700 -0.057 0.000 2.537 283 S HA 0.304 4.774 4.470 -0.000 0.000 0.275 283 S C -0.612 173.984 174.600 -0.006 0.000 1.272 283 S CA -0.400 57.770 58.200 -0.050 0.000 1.050 283 S CB 0.895 64.073 63.200 -0.036 0.000 0.961 283 S HN 0.445 nan 8.310 nan 0.000 0.496 284 E N 1.544 121.747 120.200 0.005 0.000 2.449 284 E HA 0.701 5.051 4.350 -0.000 0.000 0.278 284 E C -1.316 175.341 176.600 0.095 0.000 0.992 284 E CA -0.932 55.468 56.400 0.000 0.000 0.807 284 E CB 1.747 31.454 29.700 0.013 0.000 1.350 284 E HN 0.502 nan 8.360 nan 0.000 0.462 285 F N -1.971 117.977 119.950 -0.003 0.000 2.693 285 F HA 0.698 5.225 4.527 -0.000 0.000 0.309 285 F C -1.953 173.864 175.800 0.028 0.000 1.129 285 F CA -1.054 56.949 58.000 0.006 0.000 0.948 285 F CB 0.839 39.845 39.000 0.009 0.000 1.315 285 F HN 0.223 nan 8.300 nan 0.000 0.447 286 V N 2.969 123.017 119.914 0.224 0.000 2.628 286 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 286 V C -0.284 175.938 176.094 0.213 0.000 1.045 286 V CA -0.791 61.565 62.300 0.094 0.000 0.905 286 V CB 1.925 33.788 31.823 0.067 0.000 0.997 286 V HN 0.747 nan 8.190 nan 0.000 0.436 287 I N 2.828 123.472 120.570 0.124 0.000 2.354 287 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 287 I C -0.059 176.104 176.117 0.076 0.000 0.989 287 I CA -0.066 61.320 61.300 0.144 0.000 1.188 287 I CB 1.939 40.024 38.000 0.141 0.000 1.342 287 I HN 0.561 nan 8.210 nan 0.000 0.457 288 T N 6.978 121.575 114.554 0.072 0.000 2.779 288 T HA 0.509 4.859 4.350 -0.000 0.000 0.280 288 T C 0.150 174.877 174.700 0.044 0.000 0.987 288 T CA -0.525 61.603 62.100 0.048 0.000 0.966 288 T CB 0.953 69.843 68.868 0.036 0.000 0.933 288 T HN 0.263 nan 8.240 nan 0.000 0.442 289 L N 4.469 125.723 121.223 0.051 0.000 2.466 289 L HA 0.256 4.596 4.340 -0.000 0.000 0.257 289 L C -1.164 175.720 176.870 0.023 0.000 1.189 289 L CA -2.085 52.790 54.840 0.058 0.000 0.813 289 L CB 0.423 42.556 42.059 0.123 0.000 1.118 289 L HN 0.395 nan 8.230 nan 0.000 0.471 290 P HA -0.098 nan 4.420 nan 0.000 0.221 290 P C 0.777 178.058 177.300 -0.030 0.000 1.150 290 P CA 0.895 63.996 63.100 0.002 0.000 0.800 290 P CB 0.266 31.974 31.700 0.013 0.000 0.787 291 E N -1.358 118.817 120.200 -0.041 0.000 2.418 291 E HA 0.106 4.456 4.350 -0.000 0.000 0.197 291 E C 1.592 178.009 176.600 -0.306 0.000 1.026 291 E CA 1.112 57.428 56.400 -0.140 0.000 0.862 291 E CB -0.688 28.957 29.700 -0.092 0.000 0.799 291 E HN 0.268 nan 8.360 nan 0.000 0.518 292 G N -0.299 108.355 108.800 -0.244 0.000 2.253 292 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.209 292 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.209 292 G C -0.048 174.730 174.900 -0.204 0.000 0.997 292 G CA -0.223 44.745 45.100 -0.220 0.000 0.640 292 G HN 0.289 nan 8.290 nan 0.000 0.496 293 H N 1.914 120.968 119.070 -0.026 0.000 3.038 293 H HA 0.320 4.876 4.556 -0.000 0.000 0.338 293 H C 0.278 175.581 175.328 -0.043 0.000 1.041 293 H CA 0.958 56.979 56.048 -0.046 0.000 1.394 293 H CB 0.440 30.157 29.762 -0.076 0.000 1.357 293 H HN 0.582 nan 8.280 nan 0.000 0.600 294 E N 3.082 123.327 120.200 0.075 0.000 2.199 294 E HA 0.412 4.762 4.350 -0.000 0.000 0.265 294 E C -0.426 176.170 176.600 -0.008 0.000 0.882 294 E CA -0.641 55.777 56.400 0.030 0.000 0.759 294 E CB 1.936 31.652 29.700 0.027 0.000 1.148 294 E HN 0.341 nan 8.360 nan 0.000 0.412 295 L N 2.106 123.312 121.223 -0.028 0.000 2.343 295 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 295 L C 0.045 176.847 176.870 -0.114 0.000 0.996 295 L CA -0.872 53.919 54.840 -0.083 0.000 0.831 295 L CB 1.549 43.549 42.059 -0.100 0.000 1.232 295 L HN 0.460 nan 8.230 nan 0.000 0.413 296 T N 2.352 116.821 114.554 -0.142 0.000 2.795 296 T HA 0.555 4.905 4.350 -0.000 0.000 0.282 296 T C -0.402 174.042 174.700 -0.427 0.000 0.980 296 T CA -0.392 61.576 62.100 -0.220 0.000 1.012 296 T CB 1.241 70.076 68.868 -0.054 0.000 0.936 296 T HN 0.280 nan 8.240 nan 0.000 0.457 297 V N 6.131 125.668 119.914 -0.628 0.000 2.328 297 V HA 0.516 4.636 4.120 -0.000 0.000 0.278 297 V C 0.391 176.177 176.094 -0.513 0.000 1.021 297 V CA -0.760 61.145 62.300 -0.657 0.000 0.838 297 V CB 1.018 32.268 31.823 -0.956 0.000 0.999 297 V HN 1.080 nan 8.190 nan 0.000 0.447 298 S N 4.048 119.525 115.700 -0.371 0.000 2.472 298 S HA 0.936 5.405 4.470 -0.000 0.000 0.303 298 S C -0.384 174.185 174.600 -0.052 0.000 1.099 298 S CA -0.413 57.704 58.200 -0.137 0.000 1.077 298 S CB 2.106 65.326 63.200 0.033 0.000 1.031 298 S HN 1.175 nan 8.310 nan 0.000 0.487 299 A N 3.115 125.933 122.820 -0.004 0.000 2.498 299 A HA 0.862 5.182 4.320 -0.000 0.000 0.298 299 A C -2.201 175.390 177.584 0.012 0.000 1.075 299 A CA -2.113 49.928 52.037 0.007 0.000 0.714 299 A CB 0.941 19.949 19.000 0.014 0.000 1.299 299 A HN 0.571 nan 8.150 nan 0.000 0.407 300 P HA -0.103 nan 4.420 nan 0.000 0.217 300 P C 0.553 177.831 177.300 -0.037 0.000 1.148 300 P CA 2.529 65.642 63.100 0.021 0.000 0.834 300 P CB -0.352 31.367 31.700 0.033 0.000 0.783 301 V N 0.000 119.861 119.914 -0.089 0.000 2.409 301 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 301 V CA 0.000 62.194 62.300 -0.176 0.000 1.235 301 V CB 0.000 31.546 31.823 -0.462 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556