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 2wh8_1_C DATA FIRST_RESID 6 DATA SEQUENCE SHEFQLATAE TWPNPWPMYR ALRDHDPVHH VVPPQRPEYD YYVLSRHADV DATA SEQUENCE WSAARDHQTF SSAQGLTVNY GELEMIGLHD TPPMVMQDPP VHTEFRKLVS DATA SEQUENCE RGFTPRQVET VEPTVRKFVV ERLEKLRANG GGDIVTELFK PLPSMVVAHY DATA SEQUENCE LGVPEEDWTQ FDGWTQAIVA AXXXXXXXXG ALDAVGSMMA YFTGLIERRR DATA SEQUENCE TEPADDAISH LVAAGVGXXG DTAGTLSILA FTFTMVTGGN DTVTGMLGGS DATA SEQUENCE MPLLHRRPDQ RRLLLDDPEG IPDAVEELLR LTSPVQGLAR TTTRDVTIGD DATA SEQUENCE TTIPAGRRVL LLYGSANRDE RQYGPDAAEL DVTRCPRNIL TFSHGAHHCL DATA SEQUENCE GAAAARMQCR VALTELLARC PDFEVAESRI VWSGGSYVRR PLSVPFRV 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.672 174.600 0.119 0.000 1.055 6 S CA 0.000 58.204 58.200 0.007 0.000 1.107 6 S CB 0.000 63.210 63.200 0.017 0.000 0.593 7 H N 0.546 119.580 119.070 -0.060 0.000 2.575 7 H HA 0.242 4.798 4.556 -0.001 0.000 0.267 7 H C 0.067 175.376 175.328 -0.032 0.000 0.966 7 H CA 0.053 56.078 56.048 -0.039 0.000 1.165 7 H CB 0.687 30.449 29.762 0.000 0.000 1.433 7 H HN 0.480 nan 8.280 nan 0.000 0.544 8 E N 1.235 121.477 120.200 0.071 0.000 2.360 8 E HA -0.013 4.336 4.350 -0.001 0.000 0.269 8 E C -0.719 175.875 176.600 -0.011 0.000 1.022 8 E CA -0.354 56.070 56.400 0.040 0.000 0.887 8 E CB 0.129 29.840 29.700 0.017 0.000 0.990 8 E HN 0.067 nan 8.360 nan 0.000 0.426 9 F N 4.195 124.097 119.950 -0.080 0.000 2.529 9 F HA 0.167 4.694 4.527 -0.001 0.000 0.365 9 F C 0.117 175.886 175.800 -0.050 0.000 1.102 9 F CA 0.545 58.488 58.000 -0.094 0.000 1.271 9 F CB 0.249 39.152 39.000 -0.162 0.000 1.120 9 F HN 0.502 nan 8.300 nan 0.000 0.579 10 Q N 5.063 124.121 119.800 -1.236 0.000 2.527 10 Q HA 0.434 4.774 4.340 -0.001 0.000 0.280 10 Q C -2.034 173.354 176.000 -1.021 0.000 0.977 10 Q CA -1.164 54.158 55.803 -0.801 0.000 0.837 10 Q CB 1.494 29.988 28.738 -0.406 0.000 1.454 10 Q HN 0.698 nan 8.270 nan 0.000 0.387 11 L N 1.866 122.759 121.223 -0.550 0.000 2.367 11 L HA 0.568 4.908 4.340 -0.001 0.000 0.275 11 L C 0.478 177.017 176.870 -0.553 0.000 1.129 11 L CA -0.414 54.151 54.840 -0.458 0.000 0.839 11 L CB 1.046 42.972 42.059 -0.222 0.000 1.133 11 L HN 0.880 nan 8.230 nan 0.000 0.453 12 A N 2.770 125.136 122.820 -0.755 0.000 2.466 12 A HA 0.440 4.760 4.320 -0.001 0.000 0.238 12 A C 0.365 177.452 177.584 -0.828 0.000 1.074 12 A CA 0.215 51.599 52.037 -1.089 0.000 0.774 12 A CB 0.184 17.823 19.000 -2.268 0.000 1.015 12 A HN 0.778 nan 8.150 nan 0.000 0.498 13 T N -2.616 111.494 114.554 -0.739 0.000 2.831 13 T HA 0.630 4.980 4.350 -0.001 0.000 0.287 13 T C 1.054 175.575 174.700 -0.299 0.000 1.070 13 T CA 0.009 61.877 62.100 -0.387 0.000 1.010 13 T CB 1.192 69.926 68.868 -0.224 0.000 1.264 13 T HN 1.462 nan 8.240 nan 0.000 0.532 14 A N 0.129 122.961 122.820 0.021 0.000 2.024 14 A HA -0.052 4.267 4.320 -0.001 0.000 0.220 14 A C 1.908 179.563 177.584 0.118 0.000 1.164 14 A CA 1.928 54.103 52.037 0.230 0.000 0.643 14 A CB -1.087 18.049 19.000 0.226 0.000 0.806 14 A HN 0.883 nan 8.150 nan 0.000 0.451 15 E N -0.859 119.325 120.200 -0.028 0.000 2.216 15 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 15 E C 1.995 178.507 176.600 -0.148 0.000 0.988 15 E CA 1.442 57.811 56.400 -0.051 0.000 0.834 15 E CB -0.217 29.445 29.700 -0.064 0.000 0.772 15 E HN 0.792 nan 8.360 nan 0.000 0.479 16 T N -3.725 110.656 114.554 -0.289 0.000 3.040 16 T HA 0.021 4.370 4.350 -0.001 0.000 0.250 16 T C 1.396 175.788 174.700 -0.513 0.000 1.058 16 T CA -0.392 61.464 62.100 -0.407 0.000 0.988 16 T CB -0.459 68.124 68.868 -0.476 0.000 0.993 16 T HN 0.212 nan 8.240 nan 0.000 0.519 17 W N 2.196 123.202 121.300 -0.489 0.000 2.392 17 W HA 0.067 4.727 4.660 -0.001 0.000 0.279 17 W C -1.054 174.808 176.519 -1.096 0.000 1.225 17 W CA -0.041 56.835 57.345 -0.782 0.000 1.233 17 W CB -0.973 28.029 29.460 -0.763 0.000 1.122 17 W HN 0.330 nan 8.180 nan 0.000 0.561 18 P HA -0.182 nan 4.420 nan 0.000 0.216 18 P C 0.388 177.409 177.300 -0.464 0.000 1.150 18 P CA 1.834 64.647 63.100 -0.478 0.000 0.837 18 P CB 0.069 31.708 31.700 -0.102 0.000 0.786 19 N N -2.296 116.054 118.700 -0.583 0.000 2.673 19 N HA 0.121 4.860 4.740 -0.001 0.000 0.265 19 N C -2.243 172.727 175.510 -0.899 0.000 1.709 19 N CA -1.400 51.220 53.050 -0.716 0.000 0.792 19 N CB 0.115 38.407 38.487 -0.324 0.000 1.286 19 N HN -0.095 nan 8.380 nan 0.000 0.506 20 P HA 0.029 nan 4.420 nan 0.000 0.236 20 P C 0.811 177.478 177.300 -1.055 0.000 1.177 20 P CA 0.380 62.798 63.100 -1.137 0.000 0.773 20 P CB -0.082 30.872 31.700 -1.242 0.000 0.878 21 W N 0.919 121.918 121.300 -0.501 0.000 2.374 21 W HA -0.020 4.639 4.660 -0.001 0.000 0.288 21 W C -0.704 175.657 176.519 -0.264 0.000 1.218 21 W CA 0.209 57.328 57.345 -0.377 0.000 1.245 21 W CB -2.527 26.835 29.460 -0.163 0.000 1.126 21 W HN 0.163 nan 8.180 nan 0.000 0.545 22 P HA -0.205 nan 4.420 nan 0.000 0.217 22 P C 1.916 179.007 177.300 -0.347 0.000 1.151 22 P CA 1.410 64.359 63.100 -0.252 0.000 0.828 22 P CB -0.262 31.216 31.700 -0.370 0.000 0.788 23 M N -1.455 117.943 119.600 -0.336 0.000 2.117 23 M HA -0.177 4.303 4.480 -0.001 0.000 0.262 23 M C 1.618 177.952 176.300 0.056 0.000 1.065 23 M CA 1.971 57.155 55.300 -0.193 0.000 1.114 23 M CB -0.906 31.568 32.600 -0.210 0.000 1.361 23 M HN -0.078 nan 8.290 nan 0.000 0.408 24 Y N 0.564 120.860 120.300 -0.007 0.000 2.165 24 Y HA -0.251 4.299 4.550 -0.001 0.000 0.286 24 Y C 3.099 179.016 175.900 0.030 0.000 1.155 24 Y CA 2.338 60.481 58.100 0.071 0.000 1.164 24 Y CB -2.014 36.546 38.460 0.167 0.000 0.978 24 Y HN 0.438 nan 8.280 nan 0.000 0.513 25 R N 0.516 121.112 120.500 0.161 0.000 2.070 25 R HA -0.012 4.327 4.340 -0.001 0.000 0.233 25 R C 2.542 178.828 176.300 -0.023 0.000 1.137 25 R CA 1.771 57.902 56.100 0.052 0.000 0.945 25 R CB -1.676 28.634 30.300 0.017 0.000 0.845 25 R HN 0.419 nan 8.270 nan 0.000 0.430 26 A N 1.056 123.857 122.820 -0.033 0.000 1.917 26 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 26 A C 2.525 180.110 177.584 0.002 0.000 1.182 26 A CA 1.632 53.676 52.037 0.012 0.000 0.633 26 A CB -0.444 18.602 19.000 0.076 0.000 0.819 26 A HN 0.493 nan 8.150 nan 0.000 0.448 27 L N -1.308 119.925 121.223 0.017 0.000 1.976 27 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 27 L C 2.925 179.801 176.870 0.011 0.000 1.071 27 L CA 1.786 56.629 54.840 0.003 0.000 0.746 27 L CB -0.620 41.454 42.059 0.024 0.000 0.890 27 L HN 0.379 nan 8.230 nan 0.000 0.432 28 R N -0.156 120.353 120.500 0.016 0.000 2.105 28 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 28 R C 1.826 178.106 176.300 -0.033 0.000 1.135 28 R CA 1.592 57.698 56.100 0.011 0.000 0.967 28 R CB -0.317 30.002 30.300 0.032 0.000 0.861 28 R HN 0.439 nan 8.270 nan 0.000 0.442 29 D N -1.024 119.293 120.400 -0.139 0.000 2.162 29 D HA -0.035 4.605 4.640 -0.001 0.000 0.205 29 D C 1.242 177.408 176.300 -0.223 0.000 0.964 29 D CA 1.275 55.101 54.000 -0.290 0.000 0.847 29 D CB 0.060 40.489 40.800 -0.618 0.000 0.988 29 D HN 0.453 nan 8.370 nan 0.000 0.480 30 H N -1.635 117.475 119.070 0.067 0.000 2.755 30 H HA 0.244 4.799 4.556 -0.001 0.000 0.273 30 H C -0.377 175.001 175.328 0.084 0.000 1.055 30 H CA -0.081 56.009 56.048 0.069 0.000 1.191 30 H CB 1.310 31.114 29.762 0.069 0.000 1.536 30 H HN -0.160 nan 8.280 nan 0.000 0.529 31 D N -0.272 120.224 120.400 0.160 0.000 3.449 31 D HA 0.044 4.684 4.640 -0.001 0.000 0.262 31 D C -2.192 174.192 176.300 0.140 0.000 1.343 31 D CA -1.249 52.856 54.000 0.176 0.000 0.787 31 D CB 0.651 41.616 40.800 0.276 0.000 1.412 31 D HN 0.020 nan 8.370 nan 0.000 0.652 32 P HA -0.006 nan 4.420 nan 0.000 0.226 32 P C 0.356 177.713 177.300 0.095 0.000 1.153 32 P CA 0.452 63.599 63.100 0.079 0.000 0.777 32 P CB 0.487 32.225 31.700 0.062 0.000 0.794 33 V N 0.781 120.771 119.914 0.126 0.000 2.276 33 V HA 0.202 4.321 4.120 -0.001 0.000 0.268 33 V C -0.357 175.866 176.094 0.215 0.000 1.032 33 V CA -0.775 61.621 62.300 0.159 0.000 0.810 33 V CB -0.206 31.696 31.823 0.131 0.000 1.060 33 V HN 0.076 nan 8.190 nan 0.000 0.446 34 H N 2.739 121.847 119.070 0.064 0.000 2.562 34 H HA 0.380 4.935 4.556 -0.001 0.000 0.314 34 H C -0.079 175.161 175.328 -0.147 0.000 1.079 34 H CA -0.141 55.887 56.048 -0.034 0.000 1.349 34 H CB 0.601 30.285 29.762 -0.130 0.000 1.432 34 H HN 0.710 nan 8.280 nan 0.000 0.479 35 H N 5.254 123.795 119.070 -0.881 0.000 2.668 35 H HA 0.331 4.887 4.556 -0.001 0.000 0.303 35 H C -0.849 173.837 175.328 -1.070 0.000 1.074 35 H CA -0.905 54.479 56.048 -1.108 0.000 1.406 35 H CB 0.583 29.843 29.762 -0.837 0.000 1.442 35 H HN 0.358 nan 8.280 nan 0.000 0.482 36 V N 7.058 126.449 119.914 -0.872 0.000 2.364 36 V HA 0.104 4.223 4.120 -0.001 0.000 0.272 36 V C -0.179 175.487 176.094 -0.714 0.000 1.036 36 V CA -0.623 61.202 62.300 -0.792 0.000 0.880 36 V CB 1.236 32.415 31.823 -1.074 0.000 0.991 36 V HN 0.511 nan 8.190 nan 0.000 0.460 37 V N 7.299 126.878 119.914 -0.558 0.000 2.304 37 V HA 0.326 4.446 4.120 -0.001 0.000 0.278 37 V C -2.377 173.628 176.094 -0.147 0.000 1.018 37 V CA -1.883 60.195 62.300 -0.369 0.000 0.814 37 V CB 1.364 32.923 31.823 -0.439 0.000 1.021 37 V HN 0.729 nan 8.190 nan 0.000 0.440 38 P HA 0.185 nan 4.420 nan 0.000 0.265 38 P C -1.971 175.332 177.300 0.005 0.000 1.222 38 P CA -0.994 62.130 63.100 0.040 0.000 0.767 38 P CB 0.599 32.382 31.700 0.139 0.000 0.801 39 P HA -0.246 nan 4.420 nan 0.000 0.215 39 P C 1.600 178.891 177.300 -0.015 0.000 1.163 39 P CA 2.050 65.139 63.100 -0.018 0.000 0.894 39 P CB -0.306 31.384 31.700 -0.016 0.000 0.791 40 Q N -1.211 118.581 119.800 -0.013 0.000 2.444 40 Q HA 0.256 4.595 4.340 -0.001 0.000 0.206 40 Q C 1.357 177.333 176.000 -0.039 0.000 0.948 40 Q CA 1.324 57.112 55.803 -0.025 0.000 0.946 40 Q CB -0.762 27.960 28.738 -0.027 0.000 1.027 40 Q HN 0.361 nan 8.270 nan 0.000 0.513 41 R N 0.852 121.335 120.500 -0.027 0.000 2.754 41 R HA 0.422 4.762 4.340 -0.001 0.000 0.255 41 R C -2.377 173.946 176.300 0.038 0.000 1.723 41 R CA -0.367 55.705 56.100 -0.047 0.000 1.596 41 R CB -0.059 30.135 30.300 -0.177 0.000 1.424 41 R HN 0.298 nan 8.270 nan 0.000 0.662 42 P HA -0.175 nan 4.420 nan 0.000 0.220 42 P C 0.388 177.739 177.300 0.084 0.000 1.148 42 P CA 1.145 64.266 63.100 0.036 0.000 0.803 42 P CB 0.433 32.135 31.700 0.003 0.000 0.782 43 E N -1.068 119.192 120.200 0.100 0.000 2.267 43 E HA -0.179 4.170 4.350 -0.001 0.000 0.197 43 E C 0.858 177.570 176.600 0.187 0.000 0.998 43 E CA 1.020 57.493 56.400 0.122 0.000 0.830 43 E CB -0.960 28.820 29.700 0.133 0.000 0.751 43 E HN 0.379 nan 8.360 nan 0.000 0.491 44 Y N 1.795 122.111 120.300 0.027 0.000 2.645 44 Y HA 0.071 4.621 4.550 -0.001 0.000 0.307 44 Y C 0.081 176.232 175.900 0.418 0.000 1.151 44 Y CA -1.349 56.861 58.100 0.182 0.000 1.291 44 Y CB -0.698 37.943 38.460 0.302 0.000 1.135 44 Y HN 0.035 nan 8.280 nan 0.000 0.523 45 D N 0.030 120.645 120.400 0.359 0.000 2.419 45 D HA 0.011 4.651 4.640 -0.001 0.000 0.236 45 D C -0.131 176.478 176.300 0.516 0.000 1.165 45 D CA 0.393 54.569 54.000 0.292 0.000 0.882 45 D CB 0.937 41.880 40.800 0.238 0.000 1.201 45 D HN 0.367 nan 8.370 nan 0.000 0.443 46 Y N -2.269 118.167 120.300 0.227 0.000 2.840 46 Y HA 0.615 5.164 4.550 -0.001 0.000 0.324 46 Y C -1.602 174.329 175.900 0.051 0.000 1.378 46 Y CA -1.472 56.783 58.100 0.260 0.000 1.077 46 Y CB 0.929 39.506 38.460 0.196 0.000 1.361 46 Y HN 0.301 nan 8.280 nan 0.000 0.459 47 Y N -0.188 120.261 120.300 0.248 0.000 2.598 47 Y HA 0.749 5.299 4.550 -0.001 0.000 0.340 47 Y C -0.886 175.082 175.900 0.113 0.000 1.038 47 Y CA -1.370 56.776 58.100 0.077 0.000 1.100 47 Y CB 2.558 41.050 38.460 0.054 0.000 1.281 47 Y HN 0.467 nan 8.280 nan 0.000 0.488 48 V N 3.367 123.366 119.914 0.141 0.000 2.569 48 V HA 0.357 4.477 4.120 -0.001 0.000 0.301 48 V C -0.870 175.246 176.094 0.037 0.000 1.044 48 V CA -0.891 61.421 62.300 0.020 0.000 0.874 48 V CB 1.674 33.323 31.823 -0.291 0.000 1.002 48 V HN 0.525 nan 8.190 nan 0.000 0.424 49 L N 4.035 125.261 121.223 0.004 0.000 2.265 49 L HA 0.447 4.787 4.340 -0.001 0.000 0.289 49 L C 1.110 177.956 176.870 -0.040 0.000 1.033 49 L CA -0.092 54.741 54.840 -0.012 0.000 0.814 49 L CB 1.932 43.959 42.059 -0.053 0.000 1.203 49 L HN 0.858 nan 8.230 nan 0.000 0.423 50 S N 1.741 117.431 115.700 -0.016 0.000 2.506 50 S HA 0.204 4.674 4.470 -0.001 0.000 0.219 50 S C 0.858 175.468 174.600 0.016 0.000 1.031 50 S CA -0.477 57.705 58.200 -0.030 0.000 0.911 50 S CB 0.286 63.483 63.200 -0.005 0.000 0.812 50 S HN 0.512 nan 8.310 nan 0.000 0.497 51 R N 1.305 121.828 120.500 0.037 0.000 2.490 51 R HA 0.269 4.609 4.340 -0.001 0.000 0.278 51 R C 1.168 177.528 176.300 0.100 0.000 1.069 51 R CA -0.364 55.779 56.100 0.071 0.000 1.080 51 R CB 0.233 30.569 30.300 0.061 0.000 1.030 51 R HN 0.349 nan 8.270 nan 0.000 0.491 52 H N 2.488 121.582 119.070 0.039 0.000 2.319 52 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 52 H C 1.450 176.827 175.328 0.082 0.000 1.097 52 H CA 2.606 58.687 56.048 0.054 0.000 1.285 52 H CB 0.375 30.103 29.762 -0.057 0.000 1.368 52 H HN 0.741 nan 8.280 nan 0.000 0.495 53 A N 0.800 123.717 122.820 0.160 0.000 1.898 53 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 53 A C 2.179 179.834 177.584 0.119 0.000 1.181 53 A CA 1.557 53.677 52.037 0.139 0.000 0.620 53 A CB -0.213 18.841 19.000 0.091 0.000 0.819 53 A HN 0.476 nan 8.150 nan 0.000 0.442 54 D N -0.148 120.294 120.400 0.070 0.000 2.117 54 D HA -0.082 4.558 4.640 -0.001 0.000 0.198 54 D C 2.070 178.358 176.300 -0.020 0.000 0.982 54 D CA 1.395 55.413 54.000 0.030 0.000 0.828 54 D CB -0.433 40.377 40.800 0.017 0.000 0.967 54 D HN 0.237 nan 8.370 nan 0.000 0.464 55 V N 0.925 120.838 119.914 -0.002 0.000 2.358 55 V HA -0.170 3.949 4.120 -0.001 0.000 0.246 55 V C 2.207 178.332 176.094 0.052 0.000 1.047 55 V CA 1.094 63.387 62.300 -0.012 0.000 1.035 55 V CB -0.436 31.415 31.823 0.047 0.000 0.658 55 V HN 0.365 nan 8.190 nan 0.000 0.452 56 W N 0.887 122.096 121.300 -0.151 0.000 2.333 56 W HA -0.283 4.377 4.660 -0.000 0.000 0.316 56 W C 2.911 179.459 176.519 0.049 0.000 1.215 56 W CA 2.543 59.832 57.345 -0.092 0.000 1.278 56 W CB -0.476 28.844 29.460 -0.234 0.000 1.154 56 W HN 0.401 nan 8.180 nan 0.000 0.486 57 S N 0.699 116.509 115.700 0.183 0.000 2.359 57 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 57 S C 2.072 176.653 174.600 -0.032 0.000 1.035 57 S CA 2.317 60.574 58.200 0.095 0.000 1.018 57 S CB -0.697 62.581 63.200 0.130 0.000 0.876 57 S HN 0.268 nan 8.310 nan 0.000 0.448 58 A N 1.504 124.200 122.820 -0.206 0.000 1.877 58 A HA 0.258 4.578 4.320 -0.001 0.000 0.216 58 A C 2.551 179.953 177.584 -0.303 0.000 1.186 58 A CA 1.880 53.542 52.037 -0.624 0.000 0.620 58 A CB -1.516 16.758 19.000 -1.210 0.000 0.822 58 A HN 0.879 nan 8.150 nan 0.000 0.443 59 A N -0.105 122.611 122.820 -0.174 0.000 1.933 59 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 59 A C 2.184 179.701 177.584 -0.113 0.000 1.175 59 A CA 2.156 54.154 52.037 -0.065 0.000 0.628 59 A CB -0.425 18.588 19.000 0.022 0.000 0.814 59 A HN 0.516 nan 8.150 nan 0.000 0.444 60 R N 0.567 120.939 120.500 -0.214 0.000 2.092 60 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 60 R C 0.163 176.393 176.300 -0.117 0.000 1.119 60 R CA 1.484 57.407 56.100 -0.296 0.000 0.970 60 R CB -0.410 29.679 30.300 -0.351 0.000 0.864 60 R HN 0.330 nan 8.270 nan 0.000 0.440 61 D N 0.722 121.105 120.400 -0.029 0.000 2.558 61 D HA -0.018 4.621 4.640 -0.001 0.000 0.221 61 D C 0.459 176.775 176.300 0.027 0.000 1.143 61 D CA -0.187 53.800 54.000 -0.023 0.000 1.010 61 D CB -0.136 40.743 40.800 0.132 0.000 1.068 61 D HN 0.520 nan 8.370 nan 0.000 0.511 62 H N 0.457 119.558 119.070 0.051 0.000 2.456 62 H HA -0.109 4.446 4.556 -0.001 0.000 0.296 62 H C 1.435 176.779 175.328 0.026 0.000 1.079 62 H CA 1.207 57.286 56.048 0.050 0.000 1.322 62 H CB -0.134 29.630 29.762 0.004 0.000 1.388 62 H HN 0.221 nan 8.280 nan 0.000 0.538 63 Q N 0.365 120.017 119.800 -0.247 0.000 2.124 63 Q HA -0.058 4.282 4.340 -0.001 0.000 0.202 63 Q C 2.009 177.939 176.000 -0.117 0.000 0.977 63 Q CA 2.242 57.975 55.803 -0.116 0.000 0.850 63 Q CB 0.015 28.640 28.738 -0.188 0.000 0.901 63 Q HN 0.569 nan 8.270 nan 0.000 0.429 64 T N -0.759 113.687 114.554 -0.180 0.000 3.010 64 T HA 0.124 4.473 4.350 -0.001 0.000 0.252 64 T C -0.290 174.091 174.700 -0.532 0.000 1.047 64 T CA 0.406 62.274 62.100 -0.387 0.000 1.140 64 T CB 0.145 68.688 68.868 -0.543 0.000 0.885 64 T HN 0.011 nan 8.240 nan 0.000 0.464 65 F N 2.236 122.164 119.950 -0.037 0.000 2.307 65 F HA 0.520 5.048 4.527 0.001 0.000 0.369 65 F C 0.480 176.277 175.800 -0.005 0.000 1.076 65 F CA -1.047 56.938 58.000 -0.025 0.000 1.149 65 F CB 0.866 39.850 39.000 -0.026 0.000 1.410 65 F HN -0.083 nan 8.300 nan 0.000 0.481 66 S N 0.929 116.687 115.700 0.095 0.000 2.584 66 S HA 0.255 4.725 4.470 -0.001 0.000 0.273 66 S C 1.023 175.640 174.600 0.028 0.000 1.311 66 S CA -0.436 57.801 58.200 0.062 0.000 1.034 66 S CB 1.042 64.254 63.200 0.021 0.000 0.939 66 S HN 0.515 nan 8.310 nan 0.000 0.513 67 S N 3.313 119.009 115.700 -0.006 0.000 2.556 67 S HA 0.212 4.681 4.470 -0.001 0.000 0.216 67 S C 1.670 176.224 174.600 -0.077 0.000 0.970 67 S CA 0.226 58.370 58.200 -0.093 0.000 0.912 67 S CB 0.099 63.148 63.200 -0.250 0.000 0.790 67 S HN 0.814 nan 8.310 nan 0.000 0.504 68 A N 0.840 123.639 122.820 -0.035 0.000 2.168 68 A HA 0.030 4.349 4.320 -0.001 0.000 0.215 68 A C 1.818 179.381 177.584 -0.035 0.000 1.152 68 A CA 0.783 52.801 52.037 -0.032 0.000 0.716 68 A CB -0.053 18.939 19.000 -0.013 0.000 0.794 68 A HN 0.266 nan 8.150 nan 0.000 0.465 69 Q N -0.709 119.067 119.800 -0.039 0.000 2.282 69 Q HA 0.341 4.681 4.340 -0.001 0.000 0.206 69 Q C 0.743 176.701 176.000 -0.070 0.000 0.878 69 Q CA 0.719 56.500 55.803 -0.037 0.000 0.944 69 Q CB 0.290 29.013 28.738 -0.026 0.000 1.100 69 Q HN 0.788 nan 8.270 nan 0.000 0.509 70 G N 0.048 108.792 108.800 -0.093 0.000 2.479 70 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 70 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 70 G C -0.492 174.308 174.900 -0.168 0.000 1.295 70 G CA -0.718 44.306 45.100 -0.126 0.000 0.922 70 G HN 0.131 nan 8.290 nan 0.000 0.582 71 L N 0.755 121.851 121.223 -0.212 0.000 3.069 71 L HA 0.328 4.668 4.340 -0.001 0.000 0.271 71 L C 1.525 178.158 176.870 -0.394 0.000 1.201 71 L CA 0.479 55.164 54.840 -0.258 0.000 1.015 71 L CB 0.427 42.344 42.059 -0.237 0.000 1.371 71 L HN 0.954 nan 8.230 nan 0.000 0.574 72 T N -3.302 111.015 114.554 -0.395 0.000 2.919 72 T HA 0.303 4.653 4.350 -0.001 0.000 0.282 72 T C 1.029 175.554 174.700 -0.292 0.000 1.020 72 T CA -0.120 61.702 62.100 -0.463 0.000 0.994 72 T CB 1.882 70.523 68.868 -0.378 0.000 1.180 72 T HN -0.119 nan 8.240 nan 0.000 0.566 73 V N -1.263 118.528 119.914 -0.204 0.000 3.573 73 V HA 0.289 4.409 4.120 -0.001 0.000 0.270 73 V C 0.368 176.213 176.094 -0.416 0.000 1.221 73 V CA -0.252 61.768 62.300 -0.467 0.000 1.163 73 V CB -1.305 29.995 31.823 -0.871 0.000 0.847 73 V HN 0.702 nan 8.190 nan 0.000 0.468 74 N N 1.768 120.342 118.700 -0.210 0.000 2.439 74 N HA 0.231 4.970 4.740 -0.001 0.000 0.243 74 N C -0.794 174.619 175.510 -0.162 0.000 1.088 74 N CA -0.177 52.851 53.050 -0.038 0.000 0.940 74 N CB 0.402 38.936 38.487 0.078 0.000 1.180 74 N HN 0.474 nan 8.380 nan 0.000 0.505 75 Y N 0.497 120.632 120.300 -0.274 0.000 2.788 75 Y HA 0.039 4.588 4.550 -0.001 0.000 0.341 75 Y C 1.905 177.740 175.900 -0.108 0.000 1.258 75 Y CA 1.207 59.099 58.100 -0.346 0.000 1.503 75 Y CB 0.377 38.361 38.460 -0.794 0.000 1.325 75 Y HN 0.768 nan 8.280 nan 0.000 0.614 76 G N 1.047 109.895 108.800 0.081 0.000 2.195 76 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.246 76 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.246 76 G C 1.162 176.095 174.900 0.055 0.000 0.984 76 G CA 0.533 45.687 45.100 0.091 0.000 0.633 76 G HN 0.709 nan 8.290 nan 0.000 0.525 77 E N -0.123 120.088 120.200 0.019 0.000 2.068 77 E HA -0.197 4.153 4.350 -0.001 0.000 0.207 77 E C 2.326 178.925 176.600 -0.001 0.000 1.032 77 E CA 1.602 57.998 56.400 -0.006 0.000 0.839 77 E CB -0.261 29.402 29.700 -0.062 0.000 0.758 77 E HN 0.436 nan 8.360 nan 0.000 0.457 78 L N 0.685 121.908 121.223 -0.001 0.000 2.017 78 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 78 L C 2.571 179.460 176.870 0.033 0.000 1.073 78 L CA 2.200 57.047 54.840 0.010 0.000 0.745 78 L CB -0.820 41.253 42.059 0.023 0.000 0.894 78 L HN 0.281 nan 8.230 nan 0.000 0.432 79 E N -0.327 119.898 120.200 0.041 0.000 2.072 79 E HA -0.214 4.136 4.350 -0.001 0.000 0.191 79 E C 2.379 178.995 176.600 0.026 0.000 0.985 79 E CA 2.249 58.671 56.400 0.036 0.000 0.801 79 E CB -0.192 29.525 29.700 0.028 0.000 0.750 79 E HN 0.379 nan 8.360 nan 0.000 0.452 80 M N 0.810 120.429 119.600 0.031 0.000 2.108 80 M HA -0.045 4.435 4.480 -0.001 0.000 0.261 80 M C 2.402 178.713 176.300 0.017 0.000 1.066 80 M CA 2.321 57.639 55.300 0.031 0.000 1.107 80 M CB -1.516 31.111 32.600 0.046 0.000 1.356 80 M HN 0.449 nan 8.290 nan 0.000 0.406 81 I N -3.364 117.211 120.570 0.009 0.000 3.860 81 I HA 0.557 4.727 4.170 -0.001 0.000 0.319 81 I C 1.174 177.284 176.117 -0.011 0.000 1.279 81 I CA 0.772 62.069 61.300 -0.004 0.000 1.220 81 I CB -0.174 37.819 38.000 -0.013 0.000 1.027 81 I HN 0.671 nan 8.210 nan 0.000 0.428 82 G N 2.568 111.369 108.800 0.002 0.000 2.203 82 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.231 82 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.231 82 G C -0.106 174.799 174.900 0.008 0.000 1.058 82 G CA 0.068 45.172 45.100 0.006 0.000 0.781 82 G HN 0.295 nan 8.290 nan 0.000 0.496 83 L N 0.206 121.439 121.223 0.018 0.000 2.910 83 L HA 0.388 4.727 4.340 -0.001 0.000 0.252 83 L C 1.775 178.658 176.870 0.023 0.000 1.195 83 L CA 0.515 55.356 54.840 0.002 0.000 1.003 83 L CB -0.502 41.544 42.059 -0.023 0.000 1.328 83 L HN 0.565 nan 8.230 nan 0.000 0.540 84 H N -0.689 118.367 119.070 -0.025 0.000 2.326 84 H HA -0.119 4.436 4.556 -0.001 0.000 0.301 84 H C 1.378 176.694 175.328 -0.020 0.000 1.081 84 H CA 2.301 58.337 56.048 -0.020 0.000 1.334 84 H CB 0.538 30.292 29.762 -0.013 0.000 1.385 84 H HN 0.243 nan 8.280 nan 0.000 0.504 85 D N -0.480 119.962 120.400 0.070 0.000 2.149 85 D HA -0.022 4.617 4.640 -0.001 0.000 0.201 85 D C 0.292 176.549 176.300 -0.072 0.000 0.972 85 D CA 1.385 55.409 54.000 0.039 0.000 0.835 85 D CB 0.086 40.954 40.800 0.113 0.000 0.966 85 D HN 0.306 nan 8.370 nan 0.000 0.476 86 T N 2.539 117.056 114.554 -0.061 0.000 3.305 86 T HA 0.267 4.617 4.350 -0.001 0.000 0.348 86 T C -2.623 172.026 174.700 -0.085 0.000 1.394 86 T CA -1.193 60.863 62.100 -0.072 0.000 1.549 86 T CB 2.159 71.005 68.868 -0.035 0.000 0.962 86 T HN -0.022 nan 8.240 nan 0.000 0.609 87 P HA 0.388 nan 4.420 nan 0.000 0.276 87 P C -2.624 174.612 177.300 -0.107 0.000 1.244 87 P CA -1.677 61.366 63.100 -0.096 0.000 0.801 87 P CB 0.205 31.843 31.700 -0.103 0.000 1.006 88 P HA 0.067 nan 4.420 nan 0.000 0.272 88 P C 1.190 178.456 177.300 -0.056 0.000 1.240 88 P CA -0.141 62.927 63.100 -0.054 0.000 0.791 88 P CB 0.520 32.219 31.700 -0.002 0.000 0.978 89 M N 0.359 119.941 119.600 -0.030 0.000 2.296 89 M HA -0.057 4.423 4.480 -0.001 0.000 0.265 89 M C 1.385 177.830 176.300 0.243 0.000 1.064 89 M CA 1.700 57.035 55.300 0.060 0.000 1.109 89 M CB -0.993 31.674 32.600 0.111 0.000 1.396 89 M HN 0.016 nan 8.290 nan 0.000 0.430 90 V N 1.112 121.108 119.914 0.138 0.000 3.380 90 V HA 0.042 4.162 4.120 -0.001 0.000 0.268 90 V C 1.275 177.287 176.094 -0.137 0.000 1.168 90 V CA 1.018 63.334 62.300 0.027 0.000 1.156 90 V CB -0.345 31.476 31.823 -0.003 0.000 0.785 90 V HN 0.610 nan 8.190 nan 0.000 0.487 91 M N -0.051 119.521 119.600 -0.046 0.000 2.685 91 M HA 0.354 4.833 4.480 -0.001 0.000 0.355 91 M C -0.128 176.157 176.300 -0.024 0.000 1.197 91 M CA 0.201 55.457 55.300 -0.074 0.000 0.947 91 M CB 0.782 33.336 32.600 -0.076 0.000 1.346 91 M HN 0.250 nan 8.290 nan 0.000 0.516 92 Q N 0.266 120.106 119.800 0.066 0.000 2.345 92 Q HA 0.397 4.736 4.340 -0.001 0.000 0.268 92 Q C -1.129 174.944 176.000 0.122 0.000 1.054 92 Q CA -0.825 55.030 55.803 0.086 0.000 0.835 92 Q CB 2.455 31.259 28.738 0.111 0.000 1.339 92 Q HN 0.082 nan 8.270 nan 0.000 0.447 93 D N 1.627 122.062 120.400 0.058 0.000 2.272 93 D HA 0.382 5.021 4.640 -0.001 0.000 0.247 93 D C -2.435 173.855 176.300 -0.017 0.000 0.990 93 D CA -1.813 52.191 54.000 0.007 0.000 0.931 93 D CB 1.202 42.023 40.800 0.035 0.000 1.195 93 D HN 0.137 nan 8.370 nan 0.000 0.477 94 P HA 0.115 nan 4.420 nan 0.000 0.268 94 P C -1.648 175.635 177.300 -0.028 0.000 1.205 94 P CA -0.780 62.255 63.100 -0.110 0.000 0.771 94 P CB 0.317 31.811 31.700 -0.343 0.000 0.858 95 P HA -0.016 nan 4.420 nan 0.000 0.235 95 P C 1.124 178.430 177.300 0.011 0.000 1.177 95 P CA 0.516 63.616 63.100 -0.000 0.000 0.785 95 P CB 0.130 31.833 31.700 0.006 0.000 0.885 96 V N 1.013 120.938 119.914 0.019 0.000 2.282 96 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 96 V C 2.729 178.848 176.094 0.042 0.000 1.057 96 V CA 2.495 64.808 62.300 0.022 0.000 1.032 96 V CB -1.876 29.954 31.823 0.011 0.000 0.645 96 V HN 0.250 nan 8.190 nan 0.000 0.447 97 H N 0.509 119.549 119.070 -0.049 0.000 2.422 97 H HA -0.158 4.398 4.556 -0.001 0.000 0.298 97 H C 2.190 177.495 175.328 -0.038 0.000 1.098 97 H CA 2.117 58.135 56.048 -0.050 0.000 1.315 97 H CB -0.216 29.475 29.762 -0.117 0.000 1.382 97 H HN 0.435 nan 8.280 nan 0.000 0.523 98 T N -0.093 114.420 114.554 -0.069 0.000 2.708 98 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 98 T C 1.815 176.439 174.700 -0.127 0.000 1.037 98 T CA 1.564 63.595 62.100 -0.114 0.000 1.146 98 T CB -0.218 68.626 68.868 -0.041 0.000 0.865 98 T HN 0.367 nan 8.240 nan 0.000 0.435 99 E N 0.696 120.858 120.200 -0.062 0.000 2.072 99 E HA -0.023 4.326 4.350 -0.001 0.000 0.190 99 E C 1.763 178.322 176.600 -0.067 0.000 0.982 99 E CA 0.878 57.246 56.400 -0.052 0.000 0.803 99 E CB -0.579 29.112 29.700 -0.016 0.000 0.755 99 E HN 0.485 nan 8.360 nan 0.000 0.453 100 F N 1.051 120.893 119.950 -0.180 0.000 2.102 100 F HA -0.102 4.424 4.527 -0.000 0.000 0.298 100 F C 2.522 178.169 175.800 -0.255 0.000 1.105 100 F CA 2.029 59.914 58.000 -0.192 0.000 1.239 100 F CB -0.173 38.725 39.000 -0.170 0.000 0.991 100 F HN -0.020 nan 8.300 nan 0.000 0.474 101 R N 0.776 121.178 120.500 -0.163 0.000 2.091 101 R HA -0.220 4.120 4.340 -0.001 0.000 0.238 101 R C 2.437 178.601 176.300 -0.227 0.000 1.136 101 R CA 1.913 57.854 56.100 -0.265 0.000 0.959 101 R CB -0.429 29.577 30.300 -0.490 0.000 0.856 101 R HN 0.281 nan 8.270 nan 0.000 0.437 102 K N 0.425 120.707 120.400 -0.197 0.000 2.063 102 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 102 K C 2.007 178.495 176.600 -0.187 0.000 1.048 102 K CA 1.737 57.931 56.287 -0.155 0.000 0.928 102 K CB -0.110 32.319 32.500 -0.118 0.000 0.713 102 K HN 0.255 nan 8.250 nan 0.000 0.442 103 L N 0.123 121.195 121.223 -0.252 0.000 2.044 103 L HA -0.124 4.216 4.340 -0.001 0.000 0.205 103 L C 2.464 179.139 176.870 -0.325 0.000 1.075 103 L CA 0.678 55.349 54.840 -0.282 0.000 0.747 103 L CB -0.389 41.462 42.059 -0.347 0.000 0.903 103 L HN 0.075 nan 8.230 nan 0.000 0.435 104 V N -1.103 118.544 119.914 -0.445 0.000 2.667 104 V HA -0.192 3.927 4.120 -0.001 0.000 0.252 104 V C 2.537 178.614 176.094 -0.028 0.000 1.065 104 V CA 1.505 63.584 62.300 -0.369 0.000 1.083 104 V CB 0.365 31.769 31.823 -0.698 0.000 0.692 104 V HN 0.364 nan 8.190 nan 0.000 0.468 105 S N -0.101 115.564 115.700 -0.058 0.000 2.420 105 S HA -0.219 4.251 4.470 -0.001 0.000 0.237 105 S C 1.886 176.511 174.600 0.043 0.000 1.023 105 S CA 1.538 59.773 58.200 0.059 0.000 0.991 105 S CB -0.322 62.847 63.200 -0.052 0.000 0.792 105 S HN 0.628 nan 8.310 nan 0.000 0.488 106 R N 0.163 120.552 120.500 -0.185 0.000 2.193 106 R HA -0.036 4.304 4.340 -0.001 0.000 0.229 106 R C 2.207 178.263 176.300 -0.407 0.000 1.110 106 R CA 1.029 56.867 56.100 -0.436 0.000 0.988 106 R CB -0.399 29.355 30.300 -0.910 0.000 0.871 106 R HN 0.388 nan 8.270 nan 0.000 0.458 107 G N -0.368 108.320 108.800 -0.187 0.000 2.985 107 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.209 107 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.209 107 G C 0.037 174.771 174.900 -0.277 0.000 1.165 107 G CA -0.187 44.809 45.100 -0.173 0.000 0.776 107 G HN 0.114 nan 8.290 nan 0.000 0.541 108 F N 1.998 121.999 119.950 0.086 0.000 2.449 108 F HA 0.348 4.874 4.527 -0.001 0.000 0.329 108 F C 0.576 176.434 175.800 0.098 0.000 1.245 108 F CA -0.863 57.249 58.000 0.187 0.000 1.193 108 F CB 1.019 40.089 39.000 0.116 0.000 1.425 108 F HN -0.024 nan 8.300 nan 0.000 0.544 109 T N -2.507 112.150 114.554 0.173 0.000 2.940 109 T HA 0.435 4.785 4.350 -0.001 0.000 0.288 109 T C -2.154 172.611 174.700 0.109 0.000 1.045 109 T CA -2.467 59.698 62.100 0.108 0.000 1.018 109 T CB 2.241 71.133 68.868 0.041 0.000 1.151 109 T HN -0.132 nan 8.240 nan 0.000 0.529 110 P HA -0.165 nan 4.420 nan 0.000 0.216 110 P C 1.639 178.975 177.300 0.061 0.000 1.154 110 P CA 1.155 64.300 63.100 0.074 0.000 0.865 110 P CB 0.008 31.740 31.700 0.053 0.000 0.789 111 R N -0.198 120.326 120.500 0.041 0.000 2.096 111 R HA -0.181 4.158 4.340 -0.001 0.000 0.235 111 R C 1.976 178.290 176.300 0.024 0.000 1.127 111 R CA 1.439 57.555 56.100 0.027 0.000 0.968 111 R CB -0.512 29.797 30.300 0.014 0.000 0.861 111 R HN 0.128 nan 8.270 nan 0.000 0.440 112 Q N 0.191 119.992 119.800 0.002 0.000 2.230 112 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 112 Q C 2.001 178.019 176.000 0.029 0.000 0.963 112 Q CA 0.867 56.631 55.803 -0.064 0.000 0.866 112 Q CB -0.069 28.458 28.738 -0.352 0.000 0.931 112 Q HN 0.245 nan 8.270 nan 0.000 0.452 113 V N 0.680 120.661 119.914 0.111 0.000 2.488 113 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 113 V C 1.689 177.819 176.094 0.060 0.000 1.046 113 V CA 1.395 63.794 62.300 0.166 0.000 1.053 113 V CB 0.028 31.985 31.823 0.224 0.000 0.679 113 V HN 0.327 nan 8.190 nan 0.000 0.458 114 E N 0.078 120.305 120.200 0.046 0.000 2.106 114 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 114 E C 2.126 178.721 176.600 -0.008 0.000 0.984 114 E CA 1.828 58.241 56.400 0.022 0.000 0.806 114 E CB -0.242 29.474 29.700 0.028 0.000 0.750 114 E HN 0.809 nan 8.360 nan 0.000 0.458 115 T N -1.495 113.051 114.554 -0.014 0.000 3.023 115 T HA -0.012 4.338 4.350 -0.001 0.000 0.266 115 T C 1.861 176.477 174.700 -0.140 0.000 1.093 115 T CA 0.464 62.546 62.100 -0.029 0.000 1.129 115 T CB 0.196 69.094 68.868 0.050 0.000 0.899 115 T HN 0.023 nan 8.240 nan 0.000 0.491 116 V N 0.941 120.666 119.914 -0.314 0.000 3.354 116 V HA 0.154 4.274 4.120 -0.001 0.000 0.258 116 V C 2.422 178.437 176.094 -0.131 0.000 1.159 116 V CA 1.076 63.138 62.300 -0.398 0.000 1.125 116 V CB -0.058 31.250 31.823 -0.857 0.000 0.774 116 V HN 0.604 nan 8.190 nan 0.000 0.464 117 E N 0.843 121.002 120.200 -0.068 0.000 2.085 117 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 117 E C -0.477 176.130 176.600 0.013 0.000 0.994 117 E CA 1.786 58.182 56.400 -0.007 0.000 0.801 117 E CB -0.632 29.075 29.700 0.012 0.000 0.743 117 E HN 0.504 nan 8.360 nan 0.000 0.453 118 P HA -0.073 nan 4.420 nan 0.000 0.218 118 P C 1.075 178.401 177.300 0.044 0.000 1.149 118 P CA 1.460 64.574 63.100 0.024 0.000 0.817 118 P CB 0.018 31.725 31.700 0.013 0.000 0.785 119 T N -0.892 113.687 114.554 0.043 0.000 2.777 119 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 119 T C 1.832 176.609 174.700 0.129 0.000 1.040 119 T CA 1.125 63.279 62.100 0.091 0.000 1.141 119 T CB -0.964 67.976 68.868 0.120 0.000 0.868 119 T HN -0.124 nan 8.240 nan 0.000 0.444 120 V N 1.452 121.421 119.914 0.092 0.000 2.287 120 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 120 V C 2.615 178.799 176.094 0.151 0.000 1.053 120 V CA 1.878 64.248 62.300 0.117 0.000 1.027 120 V CB -0.566 31.298 31.823 0.069 0.000 0.646 120 V HN 0.362 nan 8.190 nan 0.000 0.447 121 R N 0.097 120.659 120.500 0.103 0.000 2.075 121 R HA -0.195 4.144 4.340 -0.001 0.000 0.232 121 R C 2.436 178.793 176.300 0.095 0.000 1.126 121 R CA 1.911 58.063 56.100 0.088 0.000 0.963 121 R CB -0.239 30.097 30.300 0.059 0.000 0.858 121 R HN 0.484 nan 8.270 nan 0.000 0.435 122 K N -0.523 119.941 120.400 0.108 0.000 2.097 122 K HA -0.183 4.136 4.320 -0.001 0.000 0.206 122 K C 1.841 178.523 176.600 0.136 0.000 1.049 122 K CA 1.434 57.782 56.287 0.101 0.000 0.933 122 K CB -0.189 32.371 32.500 0.101 0.000 0.717 122 K HN 0.146 nan 8.250 nan 0.000 0.442 123 F N 0.857 120.829 119.950 0.038 0.000 2.128 123 F HA -0.134 4.392 4.527 -0.001 0.000 0.295 123 F C 1.779 177.592 175.800 0.022 0.000 1.100 123 F CA 0.926 58.949 58.000 0.037 0.000 1.260 123 F CB -0.288 38.746 39.000 0.057 0.000 1.009 123 F HN -0.229 nan 8.300 nan 0.000 0.476 124 V N -0.103 119.867 119.914 0.093 0.000 2.252 124 V HA -0.348 3.771 4.120 -0.001 0.000 0.249 124 V C 2.440 178.481 176.094 -0.088 0.000 1.056 124 V CA 1.905 64.198 62.300 -0.011 0.000 1.022 124 V CB -1.057 30.814 31.823 0.080 0.000 0.641 124 V HN 0.279 nan 8.190 nan 0.000 0.445 125 V N -0.379 119.514 119.914 -0.035 0.000 2.287 125 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 125 V C 2.445 178.488 176.094 -0.084 0.000 1.053 125 V CA 2.395 64.672 62.300 -0.039 0.000 1.027 125 V CB -0.652 31.169 31.823 -0.003 0.000 0.646 125 V HN 0.616 nan 8.190 nan 0.000 0.447 126 E N -0.522 119.609 120.200 -0.115 0.000 2.058 126 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 126 E C 2.507 178.981 176.600 -0.210 0.000 0.997 126 E CA 1.228 57.542 56.400 -0.144 0.000 0.801 126 E CB -0.126 29.486 29.700 -0.145 0.000 0.746 126 E HN 0.389 nan 8.360 nan 0.000 0.450 127 R N 0.177 120.470 120.500 -0.345 0.000 2.093 127 R HA -0.002 4.338 4.340 -0.001 0.000 0.224 127 R C 2.416 178.580 176.300 -0.225 0.000 1.101 127 R CA 0.623 56.512 56.100 -0.353 0.000 0.979 127 R CB -0.558 29.410 30.300 -0.554 0.000 0.877 127 R HN 0.271 nan 8.270 nan 0.000 0.441 128 L N 0.945 122.058 121.223 -0.183 0.000 2.093 128 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 128 L C 2.221 179.066 176.870 -0.042 0.000 1.085 128 L CA 1.092 55.869 54.840 -0.104 0.000 0.755 128 L CB -0.259 41.758 42.059 -0.069 0.000 0.904 128 L HN 0.082 nan 8.230 nan 0.000 0.435 129 E N 0.184 120.351 120.200 -0.055 0.000 2.150 129 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 129 E C 2.099 178.679 176.600 -0.033 0.000 0.985 129 E CA 0.941 57.323 56.400 -0.030 0.000 0.814 129 E CB 0.071 29.753 29.700 -0.030 0.000 0.752 129 E HN 0.264 nan 8.360 nan 0.000 0.466 130 K N 0.623 120.987 120.400 -0.060 0.000 2.025 130 K HA -0.013 4.307 4.320 -0.001 0.000 0.207 130 K C 2.225 178.806 176.600 -0.032 0.000 1.049 130 K CA 0.502 56.757 56.287 -0.054 0.000 0.933 130 K CB -0.349 32.101 32.500 -0.082 0.000 0.714 130 K HN 0.025 nan 8.250 nan 0.000 0.438 131 L N 0.128 121.335 121.223 -0.026 0.000 2.012 131 L HA -0.305 4.035 4.340 -0.001 0.000 0.210 131 L C 2.883 179.782 176.870 0.048 0.000 1.073 131 L CA 2.112 56.973 54.840 0.034 0.000 0.748 131 L CB -0.668 41.454 42.059 0.105 0.000 0.891 131 L HN 0.256 nan 8.230 nan 0.000 0.431 132 R N 0.142 120.671 120.500 0.047 0.000 2.080 132 R HA -0.111 4.228 4.340 -0.001 0.000 0.236 132 R C 2.349 178.652 176.300 0.006 0.000 1.137 132 R CA 1.773 57.892 56.100 0.031 0.000 0.943 132 R CB -1.822 28.499 30.300 0.035 0.000 0.846 132 R HN 0.499 nan 8.270 nan 0.000 0.431 133 A N 1.591 124.411 122.820 -0.001 0.000 1.917 133 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 133 A C 1.869 179.447 177.584 -0.010 0.000 1.182 133 A CA 1.729 53.762 52.037 -0.007 0.000 0.633 133 A CB -0.387 18.607 19.000 -0.011 0.000 0.819 133 A HN 0.612 nan 8.150 nan 0.000 0.448 134 N N -0.861 117.834 118.700 -0.009 0.000 2.461 134 N HA 0.137 4.877 4.740 -0.001 0.000 0.188 134 N C 1.160 176.661 175.510 -0.016 0.000 1.134 134 N CA 1.042 54.085 53.050 -0.012 0.000 0.878 134 N CB 0.088 38.568 38.487 -0.011 0.000 0.972 134 N HN 0.692 nan 8.380 nan 0.000 0.456 135 G N -0.235 108.553 108.800 -0.020 0.000 2.153 135 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.252 135 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.252 135 G C 0.546 175.408 174.900 -0.063 0.000 0.994 135 G CA 0.798 45.874 45.100 -0.040 0.000 0.698 135 G HN 0.822 nan 8.290 nan 0.000 0.521 136 G N -2.503 106.281 108.800 -0.027 0.000 2.298 136 G HA2 0.630 4.590 3.960 -0.001 0.000 0.309 136 G HA3 0.630 4.590 3.960 -0.001 0.000 0.309 136 G C 0.565 175.500 174.900 0.058 0.000 1.279 136 G CA 0.910 46.009 45.100 -0.001 0.000 1.042 136 G HN 2.582 nan 8.290 nan 0.000 0.480 137 G N -1.309 107.546 108.800 0.091 0.000 2.352 137 G HA2 0.487 4.447 3.960 -0.001 0.000 0.283 137 G HA3 0.487 4.447 3.960 -0.001 0.000 0.283 137 G C -1.936 172.989 174.900 0.043 0.000 1.308 137 G CA 0.519 45.645 45.100 0.043 0.000 0.892 137 G HN 1.227 nan 8.290 nan 0.000 0.504 138 D N 0.383 120.765 120.400 -0.030 0.000 2.380 138 D HA 0.307 4.946 4.640 -0.001 0.000 0.230 138 D C 1.448 177.631 176.300 -0.196 0.000 1.154 138 D CA -0.477 53.476 54.000 -0.078 0.000 0.859 138 D CB 1.179 41.935 40.800 -0.073 0.000 1.045 138 D HN 0.393 nan 8.370 nan 0.000 0.495 139 I N 3.694 124.068 120.570 -0.327 0.000 2.614 139 I HA -0.206 3.963 4.170 -0.001 0.000 0.258 139 I C 1.541 177.230 176.117 -0.713 0.000 1.189 139 I CA 0.608 61.479 61.300 -0.716 0.000 1.462 139 I CB 0.488 37.743 38.000 -1.242 0.000 1.092 139 I HN 0.229 nan 8.210 nan 0.000 0.442 140 V N 0.995 120.684 119.914 -0.374 0.000 2.255 140 V HA -0.277 3.843 4.120 -0.001 0.000 0.243 140 V C 2.639 178.662 176.094 -0.118 0.000 1.038 140 V CA 2.441 64.644 62.300 -0.161 0.000 1.008 140 V CB -1.210 30.572 31.823 -0.069 0.000 0.645 140 V HN 0.613 nan 8.190 nan 0.000 0.449 141 T N -1.402 113.084 114.554 -0.113 0.000 2.720 141 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 141 T C 1.565 176.223 174.700 -0.070 0.000 1.037 141 T CA 1.505 63.563 62.100 -0.069 0.000 1.144 141 T CB -0.312 68.522 68.868 -0.056 0.000 0.864 141 T HN 0.458 nan 8.240 nan 0.000 0.444 142 E N 0.103 120.221 120.200 -0.137 0.000 2.442 142 E HA 0.264 4.614 4.350 -0.001 0.000 0.195 142 E C 1.465 177.967 176.600 -0.163 0.000 1.030 142 E CA 0.325 56.640 56.400 -0.142 0.000 0.869 142 E CB 0.427 30.022 29.700 -0.176 0.000 0.857 142 E HN 0.459 nan 8.360 nan 0.000 0.505 143 L N -2.237 118.882 121.223 -0.173 0.000 1.906 143 L HA 0.134 4.473 4.340 -0.001 0.000 0.169 143 L C 1.080 178.043 176.870 0.154 0.000 1.261 143 L CA 0.445 55.229 54.840 -0.094 0.000 1.110 143 L CB -0.406 41.443 42.059 -0.350 0.000 2.318 143 L HN -0.197 nan 8.230 nan 0.000 0.489 144 F N 1.352 121.276 119.950 -0.044 0.000 2.407 144 F HA 0.120 4.647 4.527 -0.001 0.000 0.299 144 F C 2.386 178.175 175.800 -0.018 0.000 1.097 144 F CA 1.214 59.191 58.000 -0.038 0.000 1.422 144 F CB -0.729 38.216 39.000 -0.092 0.000 1.067 144 F HN 0.221 nan 8.300 nan 0.000 0.539 145 K N 1.049 121.540 120.400 0.152 0.000 1.991 145 K HA -0.057 4.262 4.320 -0.001 0.000 0.207 145 K C -0.709 175.930 176.600 0.065 0.000 1.045 145 K CA 1.086 57.420 56.287 0.078 0.000 0.937 145 K CB -1.071 31.450 32.500 0.034 0.000 0.720 145 K HN 0.046 nan 8.250 nan 0.000 0.438 146 P HA -0.127 nan 4.420 nan 0.000 0.222 146 P C 1.547 178.817 177.300 -0.049 0.000 1.153 146 P CA 0.736 63.865 63.100 0.049 0.000 0.798 146 P CB 0.003 31.807 31.700 0.174 0.000 0.796 147 L N 1.985 123.268 121.223 0.101 0.000 1.989 147 L HA -0.047 4.292 4.340 -0.001 0.000 0.211 147 L C -0.894 175.922 176.870 -0.090 0.000 1.071 147 L CA 2.785 57.632 54.840 0.011 0.000 0.749 147 L CB -2.466 39.755 42.059 0.270 0.000 0.890 147 L HN -0.010 nan 8.230 nan 0.000 0.431 148 P HA -0.121 nan 4.420 nan 0.000 0.222 148 P C 1.908 179.154 177.300 -0.089 0.000 1.147 148 P CA 1.484 64.554 63.100 -0.050 0.000 0.790 148 P CB -0.138 31.547 31.700 -0.025 0.000 0.780 149 S N -0.751 114.876 115.700 -0.122 0.000 2.383 149 S HA -0.104 4.366 4.470 -0.001 0.000 0.227 149 S C 1.851 176.329 174.600 -0.203 0.000 1.026 149 S CA 1.092 59.224 58.200 -0.113 0.000 0.981 149 S CB -0.825 62.285 63.200 -0.149 0.000 0.818 149 S HN 0.000 nan 8.310 nan 0.000 0.472 150 M N 0.491 119.858 119.600 -0.388 0.000 2.149 150 M HA -0.066 4.413 4.480 -0.001 0.000 0.261 150 M C 2.054 177.942 176.300 -0.685 0.000 1.064 150 M CA 1.233 56.061 55.300 -0.786 0.000 1.102 150 M CB -0.556 31.670 32.600 -0.624 0.000 1.369 150 M HN 0.179 nan 8.290 nan 0.000 0.408 151 V N -0.303 119.443 119.914 -0.279 0.000 2.323 151 V HA -0.170 3.950 4.120 -0.001 0.000 0.244 151 V C 2.424 178.579 176.094 0.101 0.000 1.041 151 V CA 1.418 63.696 62.300 -0.038 0.000 1.025 151 V CB -0.519 31.331 31.823 0.046 0.000 0.656 151 V HN 0.273 nan 8.190 nan 0.000 0.451 152 V N 0.657 120.582 119.914 0.019 0.000 2.324 152 V HA -0.327 3.793 4.120 -0.001 0.000 0.250 152 V C 2.752 178.832 176.094 -0.023 0.000 1.060 152 V CA 2.200 64.538 62.300 0.064 0.000 1.042 152 V CB -1.299 30.576 31.823 0.086 0.000 0.650 152 V HN 0.567 nan 8.190 nan 0.000 0.450 153 A N -0.806 121.861 122.820 -0.254 0.000 1.883 153 A HA -0.321 3.998 4.320 -0.001 0.000 0.217 153 A C 2.255 179.676 177.584 -0.272 0.000 1.186 153 A CA 2.160 53.804 52.037 -0.655 0.000 0.624 153 A CB -0.985 17.242 19.000 -1.287 0.000 0.822 153 A HN 0.743 nan 8.150 nan 0.000 0.444 154 H N -2.152 116.745 119.070 -0.289 0.000 2.319 154 H HA -0.211 4.345 4.556 -0.001 0.000 0.299 154 H C 1.799 177.060 175.328 -0.113 0.000 1.092 154 H CA 2.352 58.364 56.048 -0.059 0.000 1.302 154 H CB -0.182 29.529 29.762 -0.086 0.000 1.373 154 H HN 0.589 nan 8.280 nan 0.000 0.497 155 Y N 0.326 120.523 120.300 -0.172 0.000 2.509 155 Y HA -0.006 4.543 4.550 -0.001 0.000 0.293 155 Y C 2.384 178.179 175.900 -0.176 0.000 1.133 155 Y CA 0.402 58.335 58.100 -0.277 0.000 1.283 155 Y CB 0.235 38.565 38.460 -0.218 0.000 1.001 155 Y HN 0.160 nan 8.280 nan 0.000 0.555 156 L N -1.317 119.922 121.223 0.027 0.000 2.592 156 L HA 0.229 4.569 4.340 -0.001 0.000 0.227 156 L C 1.520 178.459 176.870 0.114 0.000 1.127 156 L CA 0.510 55.403 54.840 0.088 0.000 0.884 156 L CB -0.301 41.788 42.059 0.050 0.000 1.065 156 L HN 0.317 nan 8.230 nan 0.000 0.457 157 G N 0.881 109.682 108.800 0.001 0.000 2.198 157 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 157 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 157 G C 0.189 175.143 174.900 0.090 0.000 1.025 157 G CA 0.142 45.250 45.100 0.014 0.000 0.769 157 G HN 0.131 nan 8.290 nan 0.000 0.507 158 V N 1.210 121.198 119.914 0.123 0.000 2.508 158 V HA 0.291 4.411 4.120 -0.001 0.000 0.281 158 V C -1.161 175.094 176.094 0.269 0.000 1.041 158 V CA -1.212 61.186 62.300 0.163 0.000 1.016 158 V CB 1.155 32.956 31.823 -0.035 0.000 0.984 158 V HN 0.160 nan 8.190 nan 0.000 0.478 159 P HA 0.006 nan 4.420 nan 0.000 0.265 159 P C 0.904 178.058 177.300 -0.243 0.000 1.193 159 P CA 0.160 63.252 63.100 -0.015 0.000 0.765 159 P CB 0.548 32.239 31.700 -0.016 0.000 0.823 160 E N 3.292 123.108 120.200 -0.641 0.000 2.219 160 E HA -0.277 4.072 4.350 -0.001 0.000 0.198 160 E C 1.365 177.490 176.600 -0.792 0.000 0.998 160 E CA 1.180 56.710 56.400 -1.449 0.000 0.818 160 E CB 0.070 28.997 29.700 -1.287 0.000 0.741 160 E HN 0.486 nan 8.360 nan 0.000 0.477 161 E N 0.076 120.048 120.200 -0.380 0.000 2.427 161 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 161 E C 0.487 177.021 176.600 -0.110 0.000 1.028 161 E CA 0.720 56.998 56.400 -0.203 0.000 0.864 161 E CB 0.096 29.718 29.700 -0.130 0.000 0.813 161 E HN 0.282 nan 8.360 nan 0.000 0.514 162 D N -0.328 120.027 120.400 -0.074 0.000 2.340 162 D HA 0.012 4.651 4.640 -0.001 0.000 0.217 162 D C 0.828 177.157 176.300 0.048 0.000 1.081 162 D CA -0.115 53.864 54.000 -0.036 0.000 0.842 162 D CB -0.252 40.541 40.800 -0.013 0.000 0.934 162 D HN 0.210 nan 8.370 nan 0.000 0.511 163 W N 1.436 122.649 121.300 -0.145 0.000 2.358 163 W HA -0.083 4.577 4.660 -0.001 0.000 0.303 163 W C 2.201 178.642 176.519 -0.130 0.000 1.208 163 W CA 0.735 58.019 57.345 -0.102 0.000 1.274 163 W CB -1.286 28.124 29.460 -0.084 0.000 1.138 163 W HN -0.045 nan 8.180 nan 0.000 0.515 164 T N -0.096 114.500 114.554 0.069 0.000 2.708 164 T HA -0.272 4.078 4.350 -0.001 0.000 0.266 164 T C 1.761 176.332 174.700 -0.215 0.000 1.037 164 T CA 1.914 63.984 62.100 -0.049 0.000 1.146 164 T CB -0.312 68.534 68.868 -0.036 0.000 0.865 164 T HN 0.186 nan 8.240 nan 0.000 0.435 165 Q N -0.334 119.275 119.800 -0.317 0.000 2.030 165 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 165 Q C 2.062 177.293 176.000 -1.282 0.000 0.986 165 Q CA 1.661 57.062 55.803 -0.670 0.000 0.843 165 Q CB -0.312 28.069 28.738 -0.594 0.000 0.904 165 Q HN 0.531 nan 8.270 nan 0.000 0.420 166 F N 1.462 120.724 119.950 -1.147 0.000 2.126 166 F HA -0.237 4.290 4.527 -0.001 0.000 0.299 166 F C 1.767 177.284 175.800 -0.472 0.000 1.096 166 F CA 2.146 59.614 58.000 -0.887 0.000 1.255 166 F CB -0.413 38.322 39.000 -0.440 0.000 0.997 166 F HN 0.229 nan 8.300 nan 0.000 0.479 167 D N -0.332 119.841 120.400 -0.378 0.000 2.144 167 D HA -0.105 4.535 4.640 -0.001 0.000 0.199 167 D C 2.475 178.589 176.300 -0.310 0.000 0.984 167 D CA 1.487 55.288 54.000 -0.331 0.000 0.834 167 D CB -0.743 39.952 40.800 -0.174 0.000 0.955 167 D HN 0.352 nan 8.370 nan 0.000 0.465 168 G N 0.016 108.607 108.800 -0.348 0.000 2.459 168 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 168 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 168 G C 1.266 176.118 174.900 -0.080 0.000 1.183 168 G CA 0.912 45.882 45.100 -0.216 0.000 0.776 168 G HN 0.274 nan 8.290 nan 0.000 0.552 169 W N 1.139 122.341 121.300 -0.163 0.000 2.358 169 W HA -0.006 4.654 4.660 -0.000 0.000 0.303 169 W C 2.750 179.138 176.519 -0.219 0.000 1.208 169 W CA 1.344 58.595 57.345 -0.157 0.000 1.274 169 W CB -1.635 27.730 29.460 -0.157 0.000 1.138 169 W HN 0.137 nan 8.180 nan 0.000 0.515 170 T N 0.887 115.322 114.554 -0.198 0.000 2.684 170 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 170 T C 1.850 176.478 174.700 -0.120 0.000 1.036 170 T CA 1.838 63.772 62.100 -0.276 0.000 1.148 170 T CB -0.263 68.303 68.868 -0.503 0.000 0.863 170 T HN 0.021 nan 8.240 nan 0.000 0.436 171 Q N 0.755 120.495 119.800 -0.101 0.000 2.124 171 Q HA 0.042 4.382 4.340 -0.001 0.000 0.202 171 Q C 2.626 178.624 176.000 -0.002 0.000 0.977 171 Q CA 1.489 57.265 55.803 -0.045 0.000 0.850 171 Q CB -0.796 27.918 28.738 -0.041 0.000 0.901 171 Q HN 0.593 nan 8.270 nan 0.000 0.429 172 A N 0.596 123.430 122.820 0.023 0.000 1.898 172 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 172 A C 2.208 179.823 177.584 0.052 0.000 1.181 172 A CA 1.003 53.069 52.037 0.048 0.000 0.620 172 A CB -0.599 18.448 19.000 0.079 0.000 0.819 172 A HN 0.296 nan 8.150 nan 0.000 0.442 173 I N -0.545 120.061 120.570 0.059 0.000 2.226 173 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 173 I C 2.332 178.484 176.117 0.057 0.000 1.100 173 I CA 1.039 62.386 61.300 0.080 0.000 1.374 173 I CB -0.188 37.880 38.000 0.114 0.000 1.057 173 I HN 0.149 nan 8.210 nan 0.000 0.413 174 V N 0.828 120.759 119.914 0.028 0.000 2.427 174 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 174 V C 2.646 178.763 176.094 0.038 0.000 1.051 174 V CA 1.901 64.216 62.300 0.025 0.000 1.048 174 V CB -0.948 30.874 31.823 -0.001 0.000 0.666 174 V HN 0.488 nan 8.190 nan 0.000 0.456 175 A N 0.072 122.913 122.820 0.035 0.000 1.858 175 A HA 0.084 4.403 4.320 -0.001 0.000 0.216 175 A C 1.749 179.362 177.584 0.049 0.000 1.190 175 A CA 1.338 53.399 52.037 0.041 0.000 0.617 175 A CB -0.746 18.274 19.000 0.034 0.000 0.827 175 A HN 0.604 nan 8.150 nan 0.000 0.443 186 A N 0.470 123.310 122.820 0.033 0.000 2.676 186 A HA 0.635 4.954 4.320 -0.001 0.000 0.258 186 A C 1.239 178.846 177.584 0.037 0.000 0.898 186 A CA -0.111 51.954 52.037 0.047 0.000 1.087 186 A CB -0.068 18.974 19.000 0.069 0.000 1.214 186 A HN 0.148 nan 8.150 nan 0.000 0.474 187 L N -0.026 121.210 121.223 0.021 0.000 2.012 187 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 187 L C 1.951 178.822 176.870 0.002 0.000 1.073 187 L CA 2.225 57.070 54.840 0.007 0.000 0.748 187 L CB -0.411 41.650 42.059 0.003 0.000 0.891 187 L HN 0.436 nan 8.230 nan 0.000 0.431 188 D N -0.694 119.711 120.400 0.008 0.000 2.123 188 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 188 D C 2.200 178.470 176.300 -0.050 0.000 0.992 188 D CA 1.538 55.533 54.000 -0.009 0.000 0.833 188 D CB -0.120 40.691 40.800 0.018 0.000 0.954 188 D HN 0.356 nan 8.370 nan 0.000 0.455 189 A N 0.490 123.309 122.820 -0.001 0.000 1.930 189 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 189 A C 2.541 180.098 177.584 -0.044 0.000 1.175 189 A CA 1.047 53.074 52.037 -0.017 0.000 0.627 189 A CB -0.644 18.429 19.000 0.121 0.000 0.815 189 A HN 0.139 nan 8.150 nan 0.000 0.443 190 V N -0.017 119.936 119.914 0.066 0.000 2.295 190 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 190 V C 2.844 178.988 176.094 0.083 0.000 1.049 190 V CA 2.029 64.432 62.300 0.171 0.000 1.024 190 V CB -1.497 30.356 31.823 0.050 0.000 0.648 190 V HN 0.596 nan 8.190 nan 0.000 0.447 191 G N -0.656 108.131 108.800 -0.022 0.000 2.440 191 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 191 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 191 G C 1.857 176.677 174.900 -0.134 0.000 1.154 191 G CA 1.241 46.312 45.100 -0.048 0.000 0.767 191 G HN 0.506 nan 8.290 nan 0.000 0.552 192 S N 0.002 115.503 115.700 -0.330 0.000 2.356 192 S HA -0.115 4.354 4.470 -0.001 0.000 0.223 192 S C 2.278 176.410 174.600 -0.781 0.000 1.032 192 S CA 1.562 59.334 58.200 -0.712 0.000 1.005 192 S CB -0.283 62.091 63.200 -1.376 0.000 0.867 192 S HN 0.396 nan 8.310 nan 0.000 0.449 193 M N 0.740 120.007 119.600 -0.555 0.000 2.117 193 M HA -0.046 4.433 4.480 -0.001 0.000 0.262 193 M C 2.004 178.491 176.300 0.313 0.000 1.065 193 M CA 1.453 56.743 55.300 -0.017 0.000 1.114 193 M CB -0.235 32.449 32.600 0.140 0.000 1.361 193 M HN 0.295 nan 8.290 nan 0.000 0.408 194 M N -0.830 118.933 119.600 0.272 0.000 2.229 194 M HA -0.119 4.361 4.480 -0.001 0.000 0.264 194 M C 2.229 178.639 176.300 0.184 0.000 1.063 194 M CA 1.492 56.968 55.300 0.294 0.000 1.114 194 M CB -0.555 32.178 32.600 0.221 0.000 1.387 194 M HN 0.411 nan 8.290 nan 0.000 0.420 195 A N -0.351 122.518 122.820 0.081 0.000 1.873 195 A HA -0.193 4.126 4.320 -0.001 0.000 0.215 195 A C 2.024 179.652 177.584 0.073 0.000 1.186 195 A CA 1.298 53.367 52.037 0.053 0.000 0.616 195 A CB -1.003 17.998 19.000 0.003 0.000 0.823 195 A HN 0.543 nan 8.150 nan 0.000 0.442 196 Y N -0.705 119.565 120.300 -0.050 0.000 2.145 196 Y HA -0.201 4.349 4.550 -0.001 0.000 0.286 196 Y C 1.926 177.751 175.900 -0.126 0.000 1.145 196 Y CA 2.028 60.086 58.100 -0.069 0.000 1.148 196 Y CB -0.413 38.028 38.460 -0.031 0.000 0.981 196 Y HN 0.268 nan 8.280 nan 0.000 0.507 197 F N -0.402 119.664 119.950 0.193 0.000 2.259 197 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 197 F C 2.433 178.253 175.800 0.034 0.000 1.088 197 F CA 1.698 59.764 58.000 0.111 0.000 1.358 197 F CB -0.968 38.157 39.000 0.209 0.000 1.040 197 F HN -0.070 nan 8.300 nan 0.000 0.505 198 T N -0.561 114.102 114.554 0.182 0.000 2.699 198 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 198 T C 2.372 177.082 174.700 0.016 0.000 1.036 198 T CA 1.577 63.738 62.100 0.102 0.000 1.147 198 T CB -1.015 67.904 68.868 0.085 0.000 0.862 198 T HN 0.450 nan 8.240 nan 0.000 0.446 199 G N 0.939 109.699 108.800 -0.066 0.000 2.408 199 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.217 199 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.217 199 G C 1.506 176.303 174.900 -0.172 0.000 1.150 199 G CA 0.578 45.602 45.100 -0.127 0.000 0.776 199 G HN 0.415 nan 8.290 nan 0.000 0.542 200 L N 0.680 121.741 121.223 -0.270 0.000 2.109 200 L HA 0.192 4.531 4.340 -0.001 0.000 0.207 200 L C 2.624 179.463 176.870 -0.051 0.000 1.086 200 L CA 1.105 55.804 54.840 -0.235 0.000 0.760 200 L CB -0.337 41.509 42.059 -0.355 0.000 0.910 200 L HN 0.239 nan 8.230 nan 0.000 0.437 201 I N -0.418 120.170 120.570 0.030 0.000 2.208 201 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 201 I C 2.487 178.616 176.117 0.019 0.000 1.097 201 I CA 1.456 62.795 61.300 0.065 0.000 1.363 201 I CB -0.296 37.771 38.000 0.111 0.000 1.051 201 I HN 0.334 nan 8.210 nan 0.000 0.413 202 E N 1.419 121.619 120.200 -0.000 0.000 2.051 202 E HA -0.260 4.089 4.350 -0.001 0.000 0.192 202 E C 2.218 178.803 176.600 -0.024 0.000 0.991 202 E CA 1.496 57.890 56.400 -0.010 0.000 0.799 202 E CB -0.246 29.445 29.700 -0.015 0.000 0.748 202 E HN 0.256 nan 8.360 nan 0.000 0.449 203 R N -0.253 120.221 120.500 -0.043 0.000 2.105 203 R HA -0.101 4.239 4.340 -0.001 0.000 0.239 203 R C 1.905 178.181 176.300 -0.040 0.000 1.135 203 R CA 1.317 57.388 56.100 -0.049 0.000 0.967 203 R CB -0.056 30.200 30.300 -0.073 0.000 0.861 203 R HN 0.005 nan 8.270 nan 0.000 0.442 204 R N 0.620 121.101 120.500 -0.033 0.000 2.285 204 R HA -0.043 4.297 4.340 -0.001 0.000 0.213 204 R C 2.012 178.290 176.300 -0.038 0.000 1.068 204 R CA 0.824 56.904 56.100 -0.034 0.000 1.004 204 R CB -0.440 29.849 30.300 -0.019 0.000 0.873 204 R HN 0.381 nan 8.270 nan 0.000 0.467 205 R N -0.246 120.238 120.500 -0.028 0.000 2.120 205 R HA -0.083 4.257 4.340 -0.001 0.000 0.234 205 R C 1.728 178.008 176.300 -0.033 0.000 1.123 205 R CA 1.988 58.072 56.100 -0.027 0.000 0.975 205 R CB -0.057 30.233 30.300 -0.017 0.000 0.866 205 R HN 0.353 nan 8.270 nan 0.000 0.446 206 T N -3.214 111.320 114.554 -0.034 0.000 2.971 206 T HA 0.126 4.476 4.350 -0.001 0.000 0.252 206 T C 0.419 175.096 174.700 -0.039 0.000 1.022 206 T CA -0.248 61.831 62.100 -0.034 0.000 0.980 206 T CB 0.467 69.318 68.868 -0.028 0.000 1.044 206 T HN 0.133 nan 8.240 nan 0.000 0.501 207 E N 3.241 123.415 120.200 -0.044 0.000 3.406 207 E HA 0.297 4.646 4.350 -0.001 0.000 0.210 207 E C -2.834 173.731 176.600 -0.058 0.000 1.167 207 E CA -2.069 54.302 56.400 -0.047 0.000 1.132 207 E CB 0.998 30.672 29.700 -0.044 0.000 1.309 207 E HN 0.403 nan 8.360 nan 0.000 0.424 208 P HA 0.183 nan 4.420 nan 0.000 0.280 208 P C -0.556 176.681 177.300 -0.106 0.000 1.244 208 P CA 0.033 63.074 63.100 -0.098 0.000 0.784 208 P CB 1.697 33.326 31.700 -0.119 0.000 0.913 209 A N 2.821 125.572 122.820 -0.114 0.000 3.200 209 A HA 0.464 4.784 4.320 -0.001 0.000 0.208 209 A C 0.634 178.129 177.584 -0.149 0.000 1.360 209 A CA -0.252 51.719 52.037 -0.110 0.000 0.892 209 A CB 0.005 18.956 19.000 -0.083 0.000 1.600 209 A HN 0.403 nan 8.150 nan 0.000 0.501 210 D N 0.509 120.846 120.400 -0.105 0.000 2.349 210 D HA 0.072 4.712 4.640 -0.001 0.000 0.214 210 D C -0.212 176.093 176.300 0.009 0.000 1.063 210 D CA 0.133 54.106 54.000 -0.045 0.000 0.847 210 D CB 0.000 40.783 40.800 -0.029 0.000 0.933 210 D HN 0.639 nan 8.370 nan 0.000 0.513 211 D N -0.383 119.977 120.400 -0.066 0.000 2.411 211 D HA 0.206 4.846 4.640 -0.001 0.000 0.251 211 D C 1.096 177.418 176.300 0.036 0.000 1.201 211 D CA -0.550 53.393 54.000 -0.095 0.000 0.996 211 D CB 1.562 42.277 40.800 -0.141 0.000 1.101 211 D HN -0.127 nan 8.370 nan 0.000 0.504 212 A N 0.550 123.373 122.820 0.005 0.000 1.930 212 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 212 A C 2.370 179.993 177.584 0.064 0.000 1.175 212 A CA 0.840 52.912 52.037 0.058 0.000 0.627 212 A CB -0.710 18.397 19.000 0.178 0.000 0.815 212 A HN 0.646 nan 8.150 nan 0.000 0.443 213 I N -0.445 120.205 120.570 0.133 0.000 2.202 213 I HA -0.219 3.950 4.170 -0.001 0.000 0.242 213 I C 2.688 178.827 176.117 0.036 0.000 1.091 213 I CA 1.447 62.820 61.300 0.121 0.000 1.368 213 I CB -0.497 37.622 38.000 0.198 0.000 1.058 213 I HN 0.230 nan 8.210 nan 0.000 0.410 214 S N -0.311 115.389 115.700 -0.000 0.000 2.374 214 S HA -0.243 4.227 4.470 -0.001 0.000 0.227 214 S C 1.971 176.483 174.600 -0.146 0.000 1.037 214 S CA 1.287 59.436 58.200 -0.086 0.000 1.024 214 S CB -0.545 62.569 63.200 -0.143 0.000 0.861 214 S HN 0.435 nan 8.310 nan 0.000 0.456 215 H N 0.741 119.763 119.070 -0.081 0.000 2.387 215 H HA 0.033 4.589 4.556 -0.001 0.000 0.299 215 H C 2.172 177.418 175.328 -0.137 0.000 1.090 215 H CA 1.171 57.155 56.048 -0.106 0.000 1.332 215 H CB -0.389 29.301 29.762 -0.120 0.000 1.386 215 H HN 0.310 nan 8.280 nan 0.000 0.516 216 L N -0.225 120.961 121.223 -0.060 0.000 2.046 216 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 216 L C 2.722 179.552 176.870 -0.067 0.000 1.077 216 L CA 0.671 55.428 54.840 -0.139 0.000 0.747 216 L CB -0.324 41.620 42.059 -0.192 0.000 0.896 216 L HN 0.037 nan 8.230 nan 0.000 0.432 217 V N -0.113 119.776 119.914 -0.040 0.000 2.307 217 V HA -0.277 3.842 4.120 -0.001 0.000 0.245 217 V C 2.712 178.780 176.094 -0.043 0.000 1.045 217 V CA 1.800 64.084 62.300 -0.026 0.000 1.024 217 V CB -0.909 30.905 31.823 -0.015 0.000 0.651 217 V HN 0.483 nan 8.190 nan 0.000 0.449 218 A N -0.063 122.713 122.820 -0.072 0.000 1.972 218 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 218 A C 2.158 179.714 177.584 -0.047 0.000 1.169 218 A CA 1.830 53.821 52.037 -0.077 0.000 0.635 218 A CB -0.562 18.356 19.000 -0.137 0.000 0.810 218 A HN 0.614 nan 8.150 nan 0.000 0.446 219 A N -1.944 120.853 122.820 -0.038 0.000 2.278 219 A HA 0.430 4.749 4.320 -0.001 0.000 0.212 219 A C 1.707 179.272 177.584 -0.031 0.000 1.213 219 A CA 1.104 53.123 52.037 -0.030 0.000 0.840 219 A CB -0.926 18.051 19.000 -0.038 0.000 0.866 219 A HN 1.840 nan 8.150 nan 0.000 0.489 220 G N -1.585 107.199 108.800 -0.027 0.000 2.175 220 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.244 220 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.244 220 G C 0.251 175.149 174.900 -0.003 0.000 0.982 220 G CA 0.031 45.122 45.100 -0.014 0.000 0.641 220 G HN 0.772 nan 8.290 nan 0.000 0.527 221 V N 1.441 121.350 119.914 -0.008 0.000 2.540 221 V HA 0.461 4.581 4.120 -0.001 0.000 0.297 221 V C 1.419 177.535 176.094 0.037 0.000 1.024 221 V CA 1.616 63.928 62.300 0.019 0.000 1.105 221 V CB 0.246 32.077 31.823 0.013 0.000 0.938 221 V HN 2.116 nan 8.190 nan 0.000 0.482 226 D N 0.501 120.924 120.400 0.037 0.000 2.002 226 D HA 0.348 4.988 4.640 -0.001 0.000 0.260 226 D C 2.068 178.391 176.300 0.038 0.000 1.159 226 D CA 1.245 55.264 54.000 0.032 0.000 0.961 226 D CB -0.398 40.419 40.800 0.027 0.000 1.222 226 D HN 1.044 nan 8.370 nan 0.000 0.500 227 T N -3.706 110.869 114.554 0.035 0.000 3.155 227 T HA 0.342 4.692 4.350 -0.001 0.000 0.264 227 T C 1.873 176.601 174.700 0.046 0.000 1.160 227 T CA 1.194 63.319 62.100 0.042 0.000 1.075 227 T CB -0.158 68.731 68.868 0.035 0.000 0.921 227 T HN 0.735 nan 8.240 nan 0.000 0.533 228 A N 1.485 124.330 122.820 0.043 0.000 1.975 228 A HA 0.430 4.750 4.320 -0.001 0.000 0.215 228 A C 2.579 180.198 177.584 0.058 0.000 1.170 228 A CA 0.898 52.960 52.037 0.041 0.000 0.656 228 A CB -1.256 17.763 19.000 0.031 0.000 0.821 228 A HN 0.553 nan 8.150 nan 0.000 0.449 229 G N -0.660 108.180 108.800 0.068 0.000 2.418 229 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 229 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 229 G C 1.540 176.509 174.900 0.116 0.000 1.158 229 G CA 1.696 46.854 45.100 0.096 0.000 0.771 229 G HN 0.416 nan 8.290 nan 0.000 0.545 230 T N 0.929 115.540 114.554 0.095 0.000 2.777 230 T HA 0.031 4.380 4.350 -0.001 0.000 0.266 230 T C 2.247 177.022 174.700 0.126 0.000 1.040 230 T CA 0.558 62.724 62.100 0.111 0.000 1.141 230 T CB -0.155 68.768 68.868 0.091 0.000 0.868 230 T HN 0.112 nan 8.240 nan 0.000 0.444 231 L N 1.575 122.856 121.223 0.097 0.000 2.046 231 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 231 L C 2.819 179.750 176.870 0.102 0.000 1.077 231 L CA 1.807 56.700 54.840 0.089 0.000 0.747 231 L CB -0.559 41.530 42.059 0.050 0.000 0.896 231 L HN 0.422 nan 8.230 nan 0.000 0.432 232 S N -0.042 115.717 115.700 0.098 0.000 2.383 232 S HA -0.215 4.255 4.470 -0.001 0.000 0.229 232 S C 1.848 176.599 174.600 0.252 0.000 1.030 232 S CA 1.342 59.596 58.200 0.090 0.000 1.002 232 S CB -0.736 62.508 63.200 0.073 0.000 0.829 232 S HN 0.488 nan 8.310 nan 0.000 0.467 233 I N 1.269 122.015 120.570 0.294 0.000 2.315 233 I HA -0.100 4.069 4.170 -0.001 0.000 0.248 233 I C 2.454 178.765 176.117 0.324 0.000 1.117 233 I CA 1.023 62.536 61.300 0.355 0.000 1.404 233 I CB -0.445 37.709 38.000 0.257 0.000 1.071 233 I HN 0.276 nan 8.210 nan 0.000 0.419 234 L N 0.665 122.039 121.223 0.252 0.000 2.046 234 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 234 L C 2.916 179.982 176.870 0.326 0.000 1.077 234 L CA 1.257 56.257 54.840 0.268 0.000 0.747 234 L CB -0.728 41.488 42.059 0.261 0.000 0.896 234 L HN 0.241 nan 8.230 nan 0.000 0.432 235 A N 0.087 123.052 122.820 0.241 0.000 1.883 235 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 235 A C 2.180 179.906 177.584 0.237 0.000 1.186 235 A CA 1.720 53.873 52.037 0.193 0.000 0.624 235 A CB -0.893 18.149 19.000 0.070 0.000 0.822 235 A HN 0.409 nan 8.150 nan 0.000 0.444 236 F N 1.582 121.611 119.950 0.132 0.000 2.126 236 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 236 F C 2.424 178.280 175.800 0.092 0.000 1.096 236 F CA 2.282 60.382 58.000 0.167 0.000 1.255 236 F CB -0.872 38.332 39.000 0.341 0.000 0.997 236 F HN 0.217 nan 8.300 nan 0.000 0.479 237 T N 0.725 115.199 114.554 -0.133 0.000 2.665 237 T HA -0.250 4.100 4.350 -0.001 0.000 0.268 237 T C 1.797 176.237 174.700 -0.432 0.000 1.035 237 T CA 2.090 63.912 62.100 -0.464 0.000 1.151 237 T CB -0.780 67.681 68.868 -0.677 0.000 0.862 237 T HN 0.248 nan 8.240 nan 0.000 0.438 238 F N 1.491 121.352 119.950 -0.148 0.000 2.186 238 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 238 F C 2.851 178.589 175.800 -0.102 0.000 1.090 238 F CA 0.949 58.893 58.000 -0.092 0.000 1.307 238 F CB -1.148 37.826 39.000 -0.044 0.000 1.019 238 F HN 0.085 nan 8.300 nan 0.000 0.489 239 T N 0.297 114.869 114.554 0.030 0.000 2.665 239 T HA -0.237 4.113 4.350 -0.001 0.000 0.268 239 T C 2.118 176.745 174.700 -0.121 0.000 1.035 239 T CA 1.451 63.534 62.100 -0.028 0.000 1.151 239 T CB -0.210 68.663 68.868 0.008 0.000 0.862 239 T HN 0.084 nan 8.240 nan 0.000 0.438 240 M N 0.601 120.027 119.600 -0.290 0.000 2.132 240 M HA -0.034 4.446 4.480 -0.001 0.000 0.263 240 M C 2.515 178.733 176.300 -0.135 0.000 1.065 240 M CA 1.153 56.297 55.300 -0.261 0.000 1.122 240 M CB -1.202 31.135 32.600 -0.439 0.000 1.365 240 M HN 0.153 nan 8.290 nan 0.000 0.411 241 V N 0.468 120.293 119.914 -0.147 0.000 2.307 241 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 241 V C 2.576 178.637 176.094 -0.055 0.000 1.045 241 V CA 2.265 64.498 62.300 -0.111 0.000 1.024 241 V CB -1.328 30.368 31.823 -0.211 0.000 0.651 241 V HN 0.600 nan 8.190 nan 0.000 0.449 242 T N -2.142 112.404 114.554 -0.012 0.000 3.055 242 T HA 0.039 4.389 4.350 -0.001 0.000 0.265 242 T C 1.626 176.334 174.700 0.013 0.000 1.111 242 T CA 1.244 63.359 62.100 0.025 0.000 1.118 242 T CB 0.003 68.911 68.868 0.067 0.000 0.909 242 T HN 0.482 nan 8.240 nan 0.000 0.501 243 G N 0.151 108.948 108.800 -0.006 0.000 2.850 243 G HA2 0.412 4.371 3.960 -0.001 0.000 0.211 243 G HA3 0.412 4.371 3.960 -0.001 0.000 0.211 243 G C 1.353 176.251 174.900 -0.004 0.000 1.124 243 G CA 0.190 45.291 45.100 0.002 0.000 0.769 243 G HN 0.568 nan 8.290 nan 0.000 0.535 244 G N -0.146 108.640 108.800 -0.023 0.000 3.126 244 G HA2 0.103 4.063 3.960 -0.001 0.000 0.224 244 G HA3 0.103 4.063 3.960 -0.001 0.000 0.224 244 G C 1.112 176.000 174.900 -0.020 0.000 1.142 244 G CA 0.054 45.138 45.100 -0.027 0.000 0.759 244 G HN 0.245 nan 8.290 nan 0.000 0.550 245 N N 1.019 119.708 118.700 -0.018 0.000 2.765 245 N HA -0.035 4.705 4.740 -0.001 0.000 0.230 245 N C 1.713 177.217 175.510 -0.009 0.000 1.022 245 N CA 1.024 54.061 53.050 -0.022 0.000 1.106 245 N CB -0.012 38.452 38.487 -0.038 0.000 1.527 245 N HN 0.240 nan 8.380 nan 0.000 0.507 246 D N 1.409 121.808 120.400 -0.001 0.000 2.182 246 D HA -0.148 4.492 4.640 -0.001 0.000 0.201 246 D C 1.710 178.011 176.300 0.002 0.000 0.986 246 D CA 1.912 55.915 54.000 0.006 0.000 0.847 246 D CB -1.025 39.786 40.800 0.019 0.000 0.942 246 D HN 0.345 nan 8.370 nan 0.000 0.467 247 T N -0.790 113.769 114.554 0.008 0.000 2.674 247 T HA -0.150 4.200 4.350 -0.001 0.000 0.265 247 T C 2.294 176.991 174.700 -0.005 0.000 1.039 247 T CA 1.685 63.791 62.100 0.010 0.000 1.150 247 T CB -1.037 67.853 68.868 0.036 0.000 0.864 247 T HN 0.082 nan 8.240 nan 0.000 0.427 248 V N 2.064 121.975 119.914 -0.005 0.000 2.343 248 V HA -0.183 3.936 4.120 -0.001 0.000 0.247 248 V C 3.076 179.123 176.094 -0.079 0.000 1.051 248 V CA 2.318 64.600 62.300 -0.031 0.000 1.036 248 V CB -1.379 30.431 31.823 -0.022 0.000 0.654 248 V HN 0.608 nan 8.190 nan 0.000 0.451 249 T N 0.341 114.867 114.554 -0.046 0.000 2.759 249 T HA -0.145 4.204 4.350 -0.001 0.000 0.269 249 T C 1.896 176.559 174.700 -0.062 0.000 1.042 249 T CA 1.572 63.650 62.100 -0.036 0.000 1.140 249 T CB -0.637 68.239 68.868 0.014 0.000 0.864 249 T HN 0.633 nan 8.240 nan 0.000 0.455 250 G N 1.160 109.937 108.800 -0.038 0.000 2.418 250 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 250 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 250 G C 1.544 176.425 174.900 -0.032 0.000 1.158 250 G CA 0.873 45.966 45.100 -0.012 0.000 0.771 250 G HN 0.460 nan 8.290 nan 0.000 0.545 251 M N -0.095 119.459 119.600 -0.075 0.000 2.086 251 M HA 0.024 4.504 4.480 -0.001 0.000 0.261 251 M C 2.469 178.655 176.300 -0.191 0.000 1.067 251 M CA 1.412 56.653 55.300 -0.098 0.000 1.116 251 M CB -0.213 32.336 32.600 -0.085 0.000 1.348 251 M HN 0.223 nan 8.290 nan 0.000 0.407 252 L N -0.317 120.683 121.223 -0.372 0.000 2.005 252 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 252 L C 2.763 179.271 176.870 -0.604 0.000 1.072 252 L CA 1.400 55.757 54.840 -0.806 0.000 0.744 252 L CB -1.448 39.629 42.059 -1.637 0.000 0.895 252 L HN 0.480 nan 8.230 nan 0.000 0.433 253 G N -0.306 108.332 108.800 -0.271 0.000 2.421 253 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.216 253 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.216 253 G C 1.594 176.513 174.900 0.030 0.000 1.171 253 G CA 0.744 45.879 45.100 0.058 0.000 0.775 253 G HN 0.491 nan 8.290 nan 0.000 0.543 254 G N 0.323 109.154 108.800 0.052 0.000 2.448 254 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.219 254 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.219 254 G C 2.041 177.027 174.900 0.144 0.000 1.127 254 G CA 1.316 46.533 45.100 0.196 0.000 0.766 254 G HN 0.419 nan 8.290 nan 0.000 0.552 255 S N 0.351 116.081 115.700 0.051 0.000 2.423 255 S HA -0.020 4.450 4.470 -0.001 0.000 0.231 255 S C 2.440 177.116 174.600 0.127 0.000 1.014 255 S CA 0.733 58.966 58.200 0.056 0.000 0.965 255 S CB -0.141 63.048 63.200 -0.019 0.000 0.785 255 S HN 0.204 nan 8.310 nan 0.000 0.495 256 M N 1.372 121.059 119.600 0.145 0.000 2.067 256 M HA -0.028 4.451 4.480 -0.001 0.000 0.260 256 M C -0.864 175.630 176.300 0.323 0.000 1.069 256 M CA 1.435 56.865 55.300 0.217 0.000 1.117 256 M CB -2.769 29.932 32.600 0.168 0.000 1.334 256 M HN 0.124 nan 8.290 nan 0.000 0.407 257 P HA -0.094 nan 4.420 nan 0.000 0.217 257 P C 1.997 179.459 177.300 0.270 0.000 1.150 257 P CA 1.250 64.527 63.100 0.295 0.000 0.832 257 P CB -0.245 31.618 31.700 0.272 0.000 0.787 258 L N -1.317 120.034 121.223 0.213 0.000 2.056 258 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 258 L C 2.770 179.727 176.870 0.145 0.000 1.078 258 L CA 1.215 56.142 54.840 0.145 0.000 0.749 258 L CB -0.893 41.222 42.059 0.093 0.000 0.901 258 L HN -0.081 nan 8.230 nan 0.000 0.433 259 L N -1.139 120.208 121.223 0.206 0.000 2.072 259 L HA -0.217 4.123 4.340 -0.001 0.000 0.205 259 L C 2.674 179.676 176.870 0.220 0.000 1.079 259 L CA 1.051 56.026 54.840 0.224 0.000 0.752 259 L CB -0.616 41.642 42.059 0.333 0.000 0.906 259 L HN 0.288 nan 8.230 nan 0.000 0.436 260 H N 0.624 119.833 119.070 0.232 0.000 2.387 260 H HA -0.176 4.379 4.556 -0.001 0.000 0.299 260 H C 2.231 177.569 175.328 0.017 0.000 1.099 260 H CA 2.278 58.376 56.048 0.083 0.000 1.315 260 H CB 0.121 30.001 29.762 0.197 0.000 1.380 260 H HN 0.158 nan 8.280 nan 0.000 0.513 261 R N 0.681 121.167 120.500 -0.024 0.000 2.307 261 R HA 0.199 4.538 4.340 -0.001 0.000 0.199 261 R C 0.823 177.071 176.300 -0.085 0.000 1.000 261 R CA 0.909 56.967 56.100 -0.070 0.000 1.023 261 R CB -0.271 30.060 30.300 0.050 0.000 0.908 261 R HN 0.143 nan 8.270 nan 0.000 0.473 262 R N 0.455 120.913 120.500 -0.069 0.000 2.681 262 R HA 0.198 4.537 4.340 -0.001 0.000 0.277 262 R C -2.307 173.960 176.300 -0.056 0.000 1.563 262 R CA -2.309 53.764 56.100 -0.045 0.000 1.673 262 R CB 1.447 31.742 30.300 -0.008 0.000 1.258 262 R HN 0.228 nan 8.270 nan 0.000 0.650 263 P HA -0.181 nan 4.420 nan 0.000 0.221 263 P C 0.722 177.995 177.300 -0.045 0.000 1.145 263 P CA 1.184 64.231 63.100 -0.087 0.000 0.795 263 P CB 0.302 31.933 31.700 -0.115 0.000 0.775 264 D N -0.025 120.353 120.400 -0.036 0.000 2.144 264 D HA -0.202 4.437 4.640 -0.001 0.000 0.199 264 D C 1.686 177.980 176.300 -0.009 0.000 0.984 264 D CA 1.181 55.168 54.000 -0.020 0.000 0.834 264 D CB -0.706 40.083 40.800 -0.018 0.000 0.955 264 D HN 0.172 nan 8.370 nan 0.000 0.465 265 Q N 0.542 120.339 119.800 -0.005 0.000 2.083 265 Q HA 0.015 4.355 4.340 -0.001 0.000 0.198 265 Q C 2.463 178.475 176.000 0.021 0.000 0.969 265 Q CA 0.634 56.441 55.803 0.007 0.000 0.838 265 Q CB -0.269 28.475 28.738 0.009 0.000 0.900 265 Q HN 0.473 nan 8.270 nan 0.000 0.436 266 R N 0.654 121.170 120.500 0.025 0.000 2.105 266 R HA -0.134 4.205 4.340 -0.001 0.000 0.239 266 R C 2.324 178.643 176.300 0.031 0.000 1.135 266 R CA 1.247 57.374 56.100 0.045 0.000 0.967 266 R CB -0.269 30.059 30.300 0.046 0.000 0.861 266 R HN 0.036 nan 8.270 nan 0.000 0.442 267 R N 1.366 121.873 120.500 0.012 0.000 2.070 267 R HA -0.116 4.223 4.340 -0.001 0.000 0.233 267 R C 1.963 178.272 176.300 0.014 0.000 1.137 267 R CA 1.410 57.516 56.100 0.009 0.000 0.945 267 R CB -0.832 29.466 30.300 -0.002 0.000 0.845 267 R HN 0.068 nan 8.270 nan 0.000 0.430 268 L N 0.425 121.655 121.223 0.012 0.000 2.081 268 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 268 L C 2.130 179.012 176.870 0.020 0.000 1.080 268 L CA 1.644 56.492 54.840 0.013 0.000 0.754 268 L CB -0.717 41.348 42.059 0.010 0.000 0.893 268 L HN 0.270 nan 8.230 nan 0.000 0.433 269 L N -2.399 118.841 121.223 0.028 0.000 2.375 269 L HA -0.052 4.288 4.340 -0.001 0.000 0.215 269 L C 2.245 179.138 176.870 0.039 0.000 1.108 269 L CA 0.131 54.992 54.840 0.035 0.000 0.830 269 L CB -0.252 41.834 42.059 0.045 0.000 0.959 269 L HN 0.185 nan 8.230 nan 0.000 0.457 270 L N -0.233 121.013 121.223 0.038 0.000 2.156 270 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 270 L C 1.981 178.869 176.870 0.029 0.000 1.095 270 L CA 0.961 55.824 54.840 0.038 0.000 0.770 270 L CB -0.275 41.806 42.059 0.036 0.000 0.914 270 L HN 0.234 nan 8.230 nan 0.000 0.439 271 D N -0.891 119.522 120.400 0.023 0.000 2.183 271 D HA -0.084 4.555 4.640 -0.001 0.000 0.205 271 D C 0.473 176.784 176.300 0.019 0.000 0.962 271 D CA 1.083 55.094 54.000 0.018 0.000 0.849 271 D CB 0.116 40.923 40.800 0.013 0.000 0.978 271 D HN 0.108 nan 8.370 nan 0.000 0.488 272 D N -0.788 119.624 120.400 0.020 0.000 2.400 272 D HA 0.179 4.819 4.640 -0.001 0.000 0.272 272 D C -2.176 174.138 176.300 0.024 0.000 1.220 272 D CA -1.986 52.026 54.000 0.020 0.000 0.897 272 D CB 1.484 42.294 40.800 0.016 0.000 1.134 272 D HN -0.191 nan 8.370 nan 0.000 0.507 273 P HA -0.043 nan 4.420 nan 0.000 0.228 273 P C 0.719 178.037 177.300 0.029 0.000 1.151 273 P CA 0.626 63.745 63.100 0.031 0.000 0.770 273 P CB 0.502 32.221 31.700 0.032 0.000 0.786 274 E N -0.838 119.377 120.200 0.025 0.000 2.481 274 E HA 0.056 4.406 4.350 -0.001 0.000 0.195 274 E C 2.024 178.639 176.600 0.024 0.000 1.047 274 E CA 0.528 56.943 56.400 0.024 0.000 0.867 274 E CB -1.128 28.585 29.700 0.021 0.000 0.858 274 E HN 0.192 nan 8.360 nan 0.000 0.513 275 G N -0.057 108.758 108.800 0.024 0.000 2.920 275 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.208 275 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.208 275 G C 1.335 176.250 174.900 0.025 0.000 1.159 275 G CA -0.084 45.029 45.100 0.022 0.000 0.784 275 G HN 0.203 nan 8.290 nan 0.000 0.535 276 I N 0.993 121.581 120.570 0.029 0.000 2.202 276 I HA -0.070 4.100 4.170 -0.001 0.000 0.242 276 I C -0.139 175.997 176.117 0.032 0.000 1.091 276 I CA 0.762 62.081 61.300 0.032 0.000 1.368 276 I CB -0.673 37.349 38.000 0.036 0.000 1.058 276 I HN 0.062 nan 8.210 nan 0.000 0.410 277 P HA -0.187 nan 4.420 nan 0.000 0.216 277 P C 1.030 178.352 177.300 0.036 0.000 1.153 277 P CA 1.570 64.692 63.100 0.037 0.000 0.858 277 P CB -0.037 31.685 31.700 0.038 0.000 0.789 278 D N -1.273 119.145 120.400 0.029 0.000 2.178 278 D HA -0.073 4.567 4.640 -0.001 0.000 0.202 278 D C 1.920 178.229 176.300 0.016 0.000 0.974 278 D CA 1.270 55.285 54.000 0.024 0.000 0.841 278 D CB -0.442 40.369 40.800 0.018 0.000 0.953 278 D HN 0.069 nan 8.370 nan 0.000 0.478 279 A N 0.715 123.545 122.820 0.017 0.000 1.930 279 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 279 A C 2.514 180.102 177.584 0.007 0.000 1.175 279 A CA 0.827 52.871 52.037 0.011 0.000 0.627 279 A CB -0.633 18.380 19.000 0.021 0.000 0.815 279 A HN 0.120 nan 8.150 nan 0.000 0.443 280 V N 0.547 120.472 119.914 0.018 0.000 2.392 280 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 280 V C 2.525 178.628 176.094 0.016 0.000 1.059 280 V CA 2.188 64.500 62.300 0.020 0.000 1.051 280 V CB -0.688 31.159 31.823 0.039 0.000 0.658 280 V HN 0.535 nan 8.190 nan 0.000 0.455 281 E N -0.150 120.064 120.200 0.022 0.000 2.106 281 E HA -0.222 4.128 4.350 -0.001 0.000 0.192 281 E C 2.185 178.760 176.600 -0.041 0.000 0.984 281 E CA 1.226 57.634 56.400 0.013 0.000 0.806 281 E CB -0.187 29.533 29.700 0.032 0.000 0.750 281 E HN 0.680 nan 8.360 nan 0.000 0.458 282 E N 1.079 121.250 120.200 -0.048 0.000 2.077 282 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 282 E C 2.147 178.690 176.600 -0.096 0.000 0.989 282 E CA 0.727 57.075 56.400 -0.087 0.000 0.800 282 E CB -0.255 29.405 29.700 -0.066 0.000 0.746 282 E HN 0.180 nan 8.360 nan 0.000 0.452 283 L N -0.140 121.047 121.223 -0.061 0.000 2.093 283 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 283 L C 2.471 179.291 176.870 -0.082 0.000 1.085 283 L CA 0.770 55.575 54.840 -0.058 0.000 0.755 283 L CB -0.358 41.682 42.059 -0.033 0.000 0.904 283 L HN 0.213 nan 8.230 nan 0.000 0.435 284 L N -0.568 120.603 121.223 -0.088 0.000 2.083 284 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 284 L C 2.847 179.613 176.870 -0.174 0.000 1.083 284 L CA 1.090 55.844 54.840 -0.144 0.000 0.752 284 L CB -0.459 41.505 42.059 -0.158 0.000 0.899 284 L HN 0.254 nan 8.230 nan 0.000 0.433 285 R N 0.511 120.913 120.500 -0.164 0.000 2.083 285 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 285 R C 2.233 178.411 176.300 -0.203 0.000 1.137 285 R CA 1.601 57.578 56.100 -0.204 0.000 0.951 285 R CB -0.170 29.954 30.300 -0.293 0.000 0.851 285 R HN 0.311 nan 8.270 nan 0.000 0.434 286 L N -0.238 120.863 121.223 -0.202 0.000 2.209 286 L HA -0.035 4.305 4.340 -0.001 0.000 0.207 286 L C 2.570 179.332 176.870 -0.180 0.000 1.094 286 L CA 1.332 56.022 54.840 -0.251 0.000 0.790 286 L CB -0.217 41.700 42.059 -0.236 0.000 0.932 286 L HN 0.418 nan 8.230 nan 0.000 0.447 287 T N -4.575 109.928 114.554 -0.084 0.000 2.937 287 T HA -0.087 4.263 4.350 -0.001 0.000 0.260 287 T C 1.271 175.987 174.700 0.027 0.000 1.051 287 T CA 0.573 62.676 62.100 0.006 0.000 1.141 287 T CB -0.196 68.676 68.868 0.007 0.000 0.879 287 T HN 0.146 nan 8.240 nan 0.000 0.459 288 S N 2.952 118.630 115.700 -0.037 0.000 3.280 288 S HA -0.083 4.386 4.470 -0.001 0.000 0.349 288 S C -1.372 173.237 174.600 0.015 0.000 0.936 288 S CA 0.321 58.507 58.200 -0.024 0.000 1.301 288 S CB -0.961 62.279 63.200 0.067 0.000 0.907 288 S HN 0.444 nan 8.310 nan 0.000 0.516 289 P HA -0.071 nan 4.420 nan 0.000 0.216 289 P C 0.433 177.734 177.300 0.001 0.000 1.153 289 P CA 0.850 63.932 63.100 -0.030 0.000 0.858 289 P CB 0.070 31.751 31.700 -0.031 0.000 0.789 290 V N 2.059 122.007 119.914 0.057 0.000 2.352 290 V HA 0.005 4.124 4.120 -0.001 0.000 0.253 290 V C 1.604 177.845 176.094 0.244 0.000 1.083 290 V CA 0.467 62.865 62.300 0.163 0.000 0.993 290 V CB 0.177 32.128 31.823 0.213 0.000 1.111 290 V HN 0.114 nan 8.190 nan 0.000 0.490 291 Q N 3.028 122.966 119.800 0.229 0.000 2.187 291 Q HA 0.131 4.471 4.340 -0.001 0.000 0.199 291 Q C 1.010 177.149 176.000 0.230 0.000 0.957 291 Q CA 1.009 56.992 55.803 0.301 0.000 0.857 291 Q CB 0.690 29.688 28.738 0.434 0.000 0.929 291 Q HN 0.857 nan 8.270 nan 0.000 0.453 292 G N -0.445 108.480 108.800 0.209 0.000 2.720 292 G HA2 0.610 4.569 3.960 -0.001 0.000 0.295 292 G HA3 0.610 4.569 3.960 -0.001 0.000 0.295 292 G C -1.654 173.296 174.900 0.084 0.000 1.437 292 G CA -0.565 44.543 45.100 0.013 0.000 0.886 292 G HN 0.033 nan 8.290 nan 0.000 0.509 293 L N 0.154 121.253 121.223 -0.206 0.000 2.424 293 L HA 0.791 5.131 4.340 -0.001 0.000 0.258 293 L C 0.325 177.087 176.870 -0.180 0.000 0.995 293 L CA -1.124 53.639 54.840 -0.128 0.000 0.821 293 L CB 2.329 44.337 42.059 -0.084 0.000 1.383 293 L HN 0.809 nan 8.230 nan 0.000 0.410 294 A N 1.834 124.554 122.820 -0.166 0.000 2.269 294 A HA 0.942 5.261 4.320 -0.001 0.000 0.319 294 A C -0.688 176.828 177.584 -0.114 0.000 1.110 294 A CA -0.535 51.422 52.037 -0.133 0.000 0.847 294 A CB 1.072 19.978 19.000 -0.158 0.000 1.161 294 A HN 0.659 nan 8.150 nan 0.000 0.497 295 R N -0.613 119.859 120.500 -0.047 0.000 2.855 295 R HA 0.660 4.999 4.340 -0.001 0.000 0.266 295 R C -1.439 174.891 176.300 0.049 0.000 1.034 295 R CA -0.545 55.566 56.100 0.019 0.000 0.944 295 R CB 1.520 31.897 30.300 0.129 0.000 1.219 295 R HN 0.683 nan 8.270 nan 0.000 0.474 296 T N 1.313 115.897 114.554 0.050 0.000 2.786 296 T HA 0.226 4.575 4.350 -0.001 0.000 0.283 296 T C -0.085 174.626 174.700 0.017 0.000 0.992 296 T CA -0.637 61.483 62.100 0.034 0.000 0.954 296 T CB 1.399 70.268 68.868 0.002 0.000 0.934 296 T HN 0.639 nan 8.240 nan 0.000 0.440 297 T N 0.319 114.865 114.554 -0.014 0.000 2.928 297 T HA 0.134 4.484 4.350 -0.001 0.000 0.305 297 T C 1.408 176.026 174.700 -0.137 0.000 1.035 297 T CA -0.093 61.898 62.100 -0.182 0.000 1.145 297 T CB 0.566 69.310 68.868 -0.207 0.000 0.963 297 T HN 0.689 nan 8.240 nan 0.000 0.545 298 T N -0.285 114.159 114.554 -0.183 0.000 3.040 298 T HA 0.278 4.628 4.350 -0.001 0.000 0.250 298 T C 0.531 175.159 174.700 -0.120 0.000 1.058 298 T CA -0.573 61.457 62.100 -0.116 0.000 0.988 298 T CB -0.180 68.627 68.868 -0.102 0.000 0.993 298 T HN 1.002 nan 8.240 nan 0.000 0.519 299 R N -0.629 119.772 120.500 -0.165 0.000 2.733 299 R HA 0.576 4.916 4.340 -0.001 0.000 0.272 299 R C -2.159 174.042 176.300 -0.166 0.000 1.029 299 R CA -1.086 54.931 56.100 -0.138 0.000 0.888 299 R CB -0.185 30.038 30.300 -0.129 0.000 1.251 299 R HN -0.199 nan 8.270 nan 0.000 0.464 300 D N 0.565 120.887 120.400 -0.130 0.000 2.525 300 D HA 0.235 4.874 4.640 -0.001 0.000 0.235 300 D C -0.767 175.442 176.300 -0.152 0.000 1.137 300 D CA 0.360 54.280 54.000 -0.134 0.000 0.868 300 D CB 1.281 42.023 40.800 -0.096 0.000 1.180 300 D HN 0.370 nan 8.370 nan 0.000 0.465 301 V N 2.049 121.865 119.914 -0.163 0.000 2.760 301 V HA 0.459 4.578 4.120 -0.001 0.000 0.309 301 V C -0.843 175.199 176.094 -0.086 0.000 1.077 301 V CA -0.415 61.806 62.300 -0.131 0.000 0.910 301 V CB 2.457 34.169 31.823 -0.184 0.000 1.008 301 V HN 0.528 nan 8.190 nan 0.000 0.424 302 T N 8.194 122.721 114.554 -0.044 0.000 2.772 302 T HA 0.592 4.942 4.350 -0.001 0.000 0.288 302 T C -0.335 174.370 174.700 0.009 0.000 0.994 302 T CA -0.037 62.046 62.100 -0.028 0.000 0.951 302 T CB 0.516 69.370 68.868 -0.024 0.000 0.933 302 T HN 0.528 nan 8.240 nan 0.000 0.447 303 I N 3.342 123.922 120.570 0.017 0.000 2.355 303 I HA 0.455 4.624 4.170 -0.001 0.000 0.288 303 I C 1.305 177.444 176.117 0.036 0.000 0.999 303 I CA -0.289 61.036 61.300 0.042 0.000 1.163 303 I CB 1.104 39.141 38.000 0.061 0.000 1.316 303 I HN 0.883 nan 8.210 nan 0.000 0.454 304 G N 4.859 113.681 108.800 0.036 0.000 2.677 304 G HA2 -0.426 3.534 3.960 -0.001 0.000 0.321 304 G HA3 -0.426 3.534 3.960 -0.001 0.000 0.321 304 G C 0.374 175.290 174.900 0.027 0.000 1.181 304 G CA 0.784 45.904 45.100 0.033 0.000 0.965 304 G HN 0.728 nan 8.290 nan 0.000 0.548 305 D N -0.369 120.050 120.400 0.031 0.000 2.650 305 D HA 0.582 5.221 4.640 -0.001 0.000 0.265 305 D C 0.444 176.760 176.300 0.026 0.000 1.339 305 D CA 1.148 55.163 54.000 0.025 0.000 0.816 305 D CB 0.374 41.191 40.800 0.028 0.000 1.091 305 D HN 0.687 nan 8.370 nan 0.000 0.483 306 T N 0.189 114.758 114.554 0.025 0.000 2.807 306 T HA 0.540 4.890 4.350 -0.001 0.000 0.279 306 T C -0.184 174.497 174.700 -0.031 0.000 0.993 306 T CA -0.257 61.854 62.100 0.019 0.000 0.970 306 T CB 1.752 70.654 68.868 0.057 0.000 0.950 306 T HN 0.114 nan 8.240 nan 0.000 0.441 307 T N 4.009 118.526 114.554 -0.060 0.000 2.753 307 T HA 0.453 4.802 4.350 -0.001 0.000 0.297 307 T C 0.395 174.951 174.700 -0.239 0.000 0.981 307 T CA -0.418 61.614 62.100 -0.113 0.000 0.956 307 T CB -0.076 68.745 68.868 -0.078 0.000 0.936 307 T HN 0.404 nan 8.240 nan 0.000 0.463 308 I N 6.330 126.694 120.570 -0.344 0.000 2.416 308 I HA 0.254 4.423 4.170 -0.001 0.000 0.288 308 I C -2.044 173.876 176.117 -0.329 0.000 1.051 308 I CA -2.351 58.591 61.300 -0.597 0.000 1.375 308 I CB 0.824 38.451 38.000 -0.622 0.000 1.407 308 I HN 0.297 nan 8.210 nan 0.000 0.516 309 P HA 0.104 nan 4.420 nan 0.000 0.272 309 P C -0.522 176.708 177.300 -0.118 0.000 1.223 309 P CA -0.414 62.603 63.100 -0.137 0.000 0.784 309 P CB 0.602 32.259 31.700 -0.071 0.000 0.923 310 A N 2.370 125.132 122.820 -0.097 0.000 2.584 310 A HA 0.350 4.670 4.320 -0.001 0.000 0.239 310 A C 1.496 179.058 177.584 -0.036 0.000 1.043 310 A CA 1.008 52.998 52.037 -0.079 0.000 0.756 310 A CB -1.604 17.354 19.000 -0.070 0.000 0.963 310 A HN 0.913 nan 8.150 nan 0.000 0.511 311 G N 1.646 110.436 108.800 -0.017 0.000 2.157 311 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.248 311 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.248 311 G C 0.265 175.240 174.900 0.125 0.000 0.979 311 G CA 0.288 45.409 45.100 0.034 0.000 0.650 311 G HN 0.825 nan 8.290 nan 0.000 0.529 312 R N 0.234 120.814 120.500 0.133 0.000 2.604 312 R HA 0.523 4.862 4.340 -0.001 0.000 0.287 312 R C 0.579 177.024 176.300 0.241 0.000 0.970 312 R CA -0.850 55.422 56.100 0.287 0.000 0.946 312 R CB 0.754 31.224 30.300 0.284 0.000 1.127 312 R HN 0.232 nan 8.270 nan 0.000 0.473 313 R N 0.875 121.516 120.500 0.235 0.000 2.543 313 R HA 0.283 4.623 4.340 -0.001 0.000 0.277 313 R C -0.345 176.078 176.300 0.206 0.000 1.074 313 R CA -0.356 55.761 56.100 0.029 0.000 1.076 313 R CB 0.584 30.683 30.300 -0.335 0.000 0.993 313 R HN 0.216 nan 8.270 nan 0.000 0.459 314 V N 4.309 124.314 119.914 0.152 0.000 2.443 314 V HA 0.157 4.277 4.120 -0.001 0.000 0.293 314 V C -0.416 175.724 176.094 0.076 0.000 1.021 314 V CA -0.947 61.469 62.300 0.193 0.000 0.848 314 V CB 1.700 33.653 31.823 0.217 0.000 0.998 314 V HN 0.489 nan 8.190 nan 0.000 0.424 315 L N 6.555 127.842 121.223 0.107 0.000 2.315 315 L HA 0.406 4.746 4.340 -0.001 0.000 0.283 315 L C -0.221 176.609 176.870 -0.066 0.000 1.089 315 L CA 0.391 55.250 54.840 0.031 0.000 0.833 315 L CB 0.430 42.569 42.059 0.134 0.000 1.170 315 L HN 0.528 nan 8.230 nan 0.000 0.442 316 L N 7.235 128.339 121.223 -0.200 0.000 2.282 316 L HA 0.230 4.570 4.340 -0.001 0.000 0.287 316 L C -0.047 176.566 176.870 -0.428 0.000 1.075 316 L CA -0.325 54.315 54.840 -0.332 0.000 0.839 316 L CB 0.322 42.101 42.059 -0.466 0.000 1.219 316 L HN 0.558 nan 8.230 nan 0.000 0.434 317 L N 4.578 125.663 121.223 -0.232 0.000 2.382 317 L HA 0.019 4.358 4.340 -0.001 0.000 0.259 317 L C 0.908 177.719 176.870 -0.099 0.000 1.291 317 L CA -0.298 54.417 54.840 -0.208 0.000 1.176 317 L CB -0.390 41.501 42.059 -0.280 0.000 1.373 317 L HN 0.565 nan 8.230 nan 0.000 0.426 318 Y N 1.607 121.906 120.300 -0.001 0.000 2.139 318 Y HA -0.246 4.303 4.550 -0.001 0.000 0.282 318 Y C 2.349 178.270 175.900 0.035 0.000 1.179 318 Y CA 1.264 59.378 58.100 0.024 0.000 1.161 318 Y CB -0.995 37.485 38.460 0.035 0.000 0.970 318 Y HN 0.540 nan 8.280 nan 0.000 0.511 319 G N -1.930 106.993 108.800 0.204 0.000 2.443 319 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.219 319 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.219 319 G C 1.967 176.986 174.900 0.197 0.000 1.131 319 G CA 1.180 46.440 45.100 0.266 0.000 0.775 319 G HN 0.449 nan 8.290 nan 0.000 0.547 320 S N 0.249 115.865 115.700 -0.141 0.000 2.404 320 S HA 0.269 4.738 4.470 -0.001 0.000 0.223 320 S C 2.746 177.406 174.600 0.100 0.000 1.040 320 S CA 1.230 59.359 58.200 -0.118 0.000 0.957 320 S CB -0.381 62.546 63.200 -0.455 0.000 0.826 320 S HN 0.468 nan 8.310 nan 0.000 0.491 321 A N 2.508 125.401 122.820 0.120 0.000 1.917 321 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 321 A C 1.943 179.791 177.584 0.439 0.000 1.182 321 A CA 2.017 54.204 52.037 0.250 0.000 0.633 321 A CB -1.021 18.100 19.000 0.202 0.000 0.819 321 A HN 0.616 nan 8.150 nan 0.000 0.448 322 N N -0.712 118.179 118.700 0.318 0.000 2.453 322 N HA -0.053 4.687 4.740 -0.001 0.000 0.183 322 N C 1.379 176.917 175.510 0.045 0.000 1.041 322 N CA 0.836 54.016 53.050 0.217 0.000 0.900 322 N CB -0.193 38.315 38.487 0.035 0.000 0.961 322 N HN 0.541 nan 8.380 nan 0.000 0.443 323 R N -0.062 120.529 120.500 0.151 0.000 2.472 323 R HA 0.097 4.437 4.340 -0.001 0.000 0.279 323 R C -0.360 176.065 176.300 0.207 0.000 0.953 323 R CA -0.318 55.842 56.100 0.100 0.000 1.088 323 R CB 0.441 30.774 30.300 0.055 0.000 1.197 323 R HN 0.006 nan 8.270 nan 0.000 0.536 324 D N 1.567 122.140 120.400 0.289 0.000 2.426 324 D HA -0.070 4.570 4.640 -0.001 0.000 0.261 324 D C 0.417 176.786 176.300 0.116 0.000 1.245 324 D CA 0.472 54.579 54.000 0.178 0.000 0.917 324 D CB 0.904 41.795 40.800 0.151 0.000 1.123 324 D HN 0.072 nan 8.370 nan 0.000 0.508 325 E N 2.680 122.925 120.200 0.075 0.000 2.171 325 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 325 E C 1.812 178.397 176.600 -0.025 0.000 0.997 325 E CA 1.176 57.597 56.400 0.036 0.000 0.810 325 E CB 0.120 29.837 29.700 0.028 0.000 0.738 325 E HN 0.474 nan 8.360 nan 0.000 0.467 326 R N -0.262 120.210 120.500 -0.046 0.000 2.189 326 R HA -0.121 4.218 4.340 -0.001 0.000 0.223 326 R C 2.127 178.305 176.300 -0.203 0.000 1.092 326 R CA 1.287 57.332 56.100 -0.091 0.000 0.989 326 R CB -0.028 30.236 30.300 -0.060 0.000 0.876 326 R HN 0.100 nan 8.270 nan 0.000 0.457 327 Q N -0.882 118.715 119.800 -0.339 0.000 2.390 327 Q HA 0.017 4.356 4.340 -0.001 0.000 0.216 327 Q C 0.576 176.097 176.000 -0.798 0.000 0.916 327 Q CA 1.116 56.478 55.803 -0.734 0.000 0.911 327 Q CB 0.398 28.340 28.738 -1.327 0.000 1.035 327 Q HN 0.423 nan 8.270 nan 0.000 0.541 328 Y N -0.567 119.634 120.300 -0.164 0.000 2.481 328 Y HA 0.550 5.099 4.550 -0.001 0.000 0.247 328 Y C 0.711 176.559 175.900 -0.087 0.000 1.151 328 Y CA -0.080 57.943 58.100 -0.127 0.000 1.238 328 Y CB 1.321 39.712 38.460 -0.114 0.000 1.179 328 Y HN 0.190 nan 8.280 nan 0.000 0.524 329 G N 0.845 109.654 108.800 0.016 0.000 2.712 329 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.683 329 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.683 329 G C -2.392 172.519 174.900 0.018 0.000 1.320 329 G CA -0.818 44.286 45.100 0.006 0.000 0.847 329 G HN -0.019 nan 8.290 nan 0.000 0.553 330 P HA 0.057 nan 4.420 nan 0.000 0.223 330 P C 1.127 178.433 177.300 0.011 0.000 1.151 330 P CA 1.627 64.733 63.100 0.011 0.000 0.787 330 P CB 0.029 31.734 31.700 0.007 0.000 0.788 331 D N -0.971 119.434 120.400 0.008 0.000 2.325 331 D HA 0.080 4.720 4.640 -0.001 0.000 0.234 331 D C 1.304 177.597 176.300 -0.012 0.000 1.122 331 D CA -0.106 53.892 54.000 -0.003 0.000 0.850 331 D CB -0.611 40.186 40.800 -0.006 0.000 0.921 331 D HN 0.034 nan 8.370 nan 0.000 0.513 332 A N 0.576 123.399 122.820 0.005 0.000 2.121 332 A HA 0.185 4.505 4.320 -0.001 0.000 0.218 332 A C 2.283 179.817 177.584 -0.083 0.000 1.154 332 A CA 1.060 53.095 52.037 -0.003 0.000 0.679 332 A CB -0.417 18.635 19.000 0.087 0.000 0.795 332 A HN 0.363 nan 8.150 nan 0.000 0.458 333 A N -0.546 122.230 122.820 -0.073 0.000 2.172 333 A HA 0.078 4.397 4.320 -0.001 0.000 0.216 333 A C 0.761 178.255 177.584 -0.150 0.000 1.154 333 A CA 0.566 52.526 52.037 -0.128 0.000 0.701 333 A CB -0.098 18.862 19.000 -0.067 0.000 0.789 333 A HN 0.605 nan 8.150 nan 0.000 0.465 334 E N -1.035 119.101 120.200 -0.107 0.000 2.207 334 E HA 0.461 4.811 4.350 -0.001 0.000 0.270 334 E C -1.164 175.383 176.600 -0.089 0.000 0.927 334 E CA -1.059 55.292 56.400 -0.081 0.000 0.799 334 E CB 1.786 31.458 29.700 -0.046 0.000 1.172 334 E HN 0.208 nan 8.360 nan 0.000 0.404 335 L N 2.914 124.096 121.223 -0.069 0.000 2.477 335 L HA 0.123 4.463 4.340 -0.001 0.000 0.272 335 L C -0.802 176.041 176.870 -0.045 0.000 1.157 335 L CA 0.746 55.550 54.840 -0.059 0.000 0.889 335 L CB 0.145 42.186 42.059 -0.031 0.000 1.158 335 L HN 0.404 nan 8.230 nan 0.000 0.473 336 D N 3.294 123.664 120.400 -0.051 0.000 2.402 336 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 336 D C 0.659 176.940 176.300 -0.031 0.000 1.294 336 D CA -0.272 53.707 54.000 -0.035 0.000 0.948 336 D CB 1.352 42.132 40.800 -0.033 0.000 1.202 336 D HN 0.327 nan 8.370 nan 0.000 0.561 337 V N 2.045 121.948 119.914 -0.017 0.000 3.444 337 V HA 0.019 4.139 4.120 -0.001 0.000 0.271 337 V C 1.328 177.418 176.094 -0.007 0.000 1.188 337 V CA 1.830 64.124 62.300 -0.010 0.000 1.168 337 V CB -1.062 30.762 31.823 0.003 0.000 0.810 337 V HN 0.637 nan 8.190 nan 0.000 0.500 338 T N -3.414 111.135 114.554 -0.008 0.000 3.054 338 T HA 0.182 4.532 4.350 -0.001 0.000 0.255 338 T C 1.675 176.371 174.700 -0.006 0.000 1.035 338 T CA 0.402 62.500 62.100 -0.004 0.000 0.941 338 T CB -0.129 68.738 68.868 -0.001 0.000 1.026 338 T HN 0.474 nan 8.240 nan 0.000 0.533 339 R N 0.667 121.159 120.500 -0.014 0.000 2.096 339 R HA -0.085 4.254 4.340 -0.001 0.000 0.240 339 R C 0.360 176.661 176.300 0.001 0.000 1.139 339 R CA 1.475 57.569 56.100 -0.011 0.000 0.952 339 R CB -1.056 29.224 30.300 -0.033 0.000 0.854 339 R HN 0.519 nan 8.270 nan 0.000 0.436 340 C N 0.833 120.132 119.300 -0.002 0.000 3.442 340 C HA -0.065 4.395 4.460 -0.001 0.000 0.288 340 C C -2.133 172.871 174.990 0.023 0.000 1.238 340 C CA -0.723 58.301 59.018 0.010 0.000 2.320 340 C CB -1.905 25.842 27.740 0.013 0.000 1.459 340 C HN 0.478 nan 8.230 nan 0.000 0.544 341 P HA 0.474 nan 4.420 nan 0.000 0.272 341 P C 0.039 177.409 177.300 0.117 0.000 1.230 341 P CA 0.465 63.612 63.100 0.079 0.000 0.788 341 P CB 0.570 32.227 31.700 -0.073 0.000 0.949 342 R N 1.199 121.799 120.500 0.166 0.000 2.346 342 R HA 0.337 4.677 4.340 -0.001 0.000 0.311 342 R C 0.525 176.833 176.300 0.013 0.000 0.983 342 R CA -0.536 55.577 56.100 0.022 0.000 0.880 342 R CB -0.937 29.297 30.300 -0.110 0.000 1.100 342 R HN 0.593 nan 8.270 nan 0.000 0.453 343 N N 0.219 118.909 118.700 -0.016 0.000 2.756 343 N HA -0.144 4.595 4.740 -0.001 0.000 0.248 343 N C 0.275 175.912 175.510 0.211 0.000 1.062 343 N CA 1.275 54.247 53.050 -0.130 0.000 0.696 343 N CB -1.684 36.305 38.487 -0.831 0.000 0.946 343 N HN 0.954 nan 8.380 nan 0.000 0.548 344 I N -3.185 117.548 120.570 0.271 0.000 2.993 344 I HA 0.053 4.223 4.170 -0.001 0.000 0.286 344 I C 1.245 177.544 176.117 0.303 0.000 1.215 344 I CA -0.085 61.382 61.300 0.277 0.000 1.393 344 I CB 0.441 38.497 38.000 0.093 0.000 1.371 344 I HN 0.060 nan 8.210 nan 0.000 0.602 345 L N 3.207 124.544 121.223 0.191 0.000 2.769 345 L HA 0.108 4.448 4.340 -0.001 0.000 0.240 345 L C 1.844 178.562 176.870 -0.254 0.000 1.163 345 L CA 0.095 54.953 54.840 0.031 0.000 0.962 345 L CB -0.109 42.017 42.059 0.112 0.000 1.258 345 L HN 0.856 nan 8.230 nan 0.000 0.513 346 T N -0.024 114.379 114.554 -0.252 0.000 2.788 346 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 346 T C 0.899 175.206 174.700 -0.656 0.000 1.044 346 T CA 1.567 63.372 62.100 -0.492 0.000 1.139 346 T CB -0.181 68.267 68.868 -0.700 0.000 0.867 346 T HN 0.148 nan 8.240 nan 0.000 0.454 347 F N 1.261 121.108 119.950 -0.172 0.000 2.668 347 F HA 0.546 5.072 4.527 -0.001 0.000 0.297 347 F C 1.208 176.808 175.800 -0.334 0.000 1.124 347 F CA -0.678 57.149 58.000 -0.287 0.000 1.353 347 F CB -0.946 37.816 39.000 -0.397 0.000 0.992 347 F HN 0.022 nan 8.300 nan 0.000 0.524 348 S N 0.362 115.844 115.700 -0.363 0.000 3.443 348 S HA -0.296 4.173 4.470 -0.001 0.000 0.635 348 S C -0.844 173.758 174.600 0.003 0.000 2.555 348 S CA 0.815 58.758 58.200 -0.428 0.000 2.778 348 S CB -0.630 62.404 63.200 -0.277 0.000 0.331 348 S HN 0.742 nan 8.310 nan 0.000 1.765 349 H N 0.007 118.976 119.070 -0.169 0.000 3.085 349 H HA 0.580 5.136 4.556 -0.000 0.000 0.356 349 H C 0.004 175.209 175.328 -0.205 0.000 1.178 349 H CA 1.581 57.466 56.048 -0.271 0.000 1.214 349 H CB 0.861 30.102 29.762 -0.868 0.000 1.881 349 H HN 2.000 nan 8.280 nan 0.000 0.538 350 G N 1.711 110.156 108.800 -0.592 0.000 2.482 350 G HA2 0.089 4.048 3.960 -0.001 0.000 0.214 350 G HA3 0.089 4.048 3.960 -0.001 0.000 0.214 350 G C 1.097 175.891 174.900 -0.177 0.000 1.271 350 G CA 0.585 45.412 45.100 -0.454 0.000 0.944 350 G HN 1.390 nan 8.290 nan 0.000 0.568 351 A N -1.394 121.323 122.820 -0.171 0.000 1.927 351 A HA -0.101 4.219 4.320 -0.001 0.000 0.220 351 A C 1.752 179.148 177.584 -0.313 0.000 1.185 351 A CA 2.558 54.415 52.037 -0.301 0.000 0.639 351 A CB -0.678 17.932 19.000 -0.649 0.000 0.820 351 A HN 0.873 nan 8.150 nan 0.000 0.451 352 H N -1.857 117.147 119.070 -0.109 0.000 2.529 352 H HA 0.052 4.607 4.556 -0.001 0.000 0.277 352 H C 0.233 175.562 175.328 0.001 0.000 1.004 352 H CA -0.121 55.898 56.048 -0.049 0.000 1.167 352 H CB -0.418 29.287 29.762 -0.094 0.000 1.445 352 H HN 0.662 nan 8.280 nan 0.000 0.554 353 H N 1.441 120.517 119.070 0.010 0.000 3.209 353 H HA -0.132 4.424 4.556 -0.001 0.000 0.297 353 H C 0.107 175.423 175.328 -0.019 0.000 0.936 353 H CA 0.274 56.326 56.048 0.006 0.000 1.392 353 H CB 0.412 30.170 29.762 -0.007 0.000 1.349 353 H HN 0.301 nan 8.280 nan 0.000 0.568 354 C N 7.054 126.060 119.300 -0.490 0.000 2.419 354 C HA -0.077 4.383 4.460 -0.001 0.000 0.398 354 C C 2.153 176.877 174.990 -0.444 0.000 1.498 354 C CA -0.271 58.522 59.018 -0.375 0.000 1.494 354 C CB -1.676 25.859 27.740 -0.342 0.000 2.485 354 C HN 0.889 nan 8.230 nan 0.000 0.608 355 L N 5.003 125.981 121.223 -0.408 0.000 2.291 355 L HA 0.071 4.410 4.340 -0.001 0.000 0.214 355 L C 2.415 178.945 176.870 -0.566 0.000 1.120 355 L CA 1.465 55.933 54.840 -0.620 0.000 0.799 355 L CB -0.382 40.989 42.059 -1.147 0.000 0.925 355 L HN 0.984 nan 8.230 nan 0.000 0.446 356 G N -1.333 107.204 108.800 -0.438 0.000 3.088 356 G HA2 0.121 4.080 3.960 -0.001 0.000 0.212 356 G HA3 0.121 4.080 3.960 -0.001 0.000 0.212 356 G C 1.605 176.260 174.900 -0.407 0.000 1.173 356 G CA 0.519 45.439 45.100 -0.301 0.000 0.779 356 G HN 0.365 nan 8.290 nan 0.000 0.540 357 A N 1.258 123.677 122.820 -0.668 0.000 1.927 357 A HA 0.053 4.373 4.320 -0.001 0.000 0.220 357 A C 2.743 180.011 177.584 -0.526 0.000 1.185 357 A CA 2.399 53.743 52.037 -1.154 0.000 0.639 357 A CB -0.625 17.641 19.000 -1.224 0.000 0.820 357 A HN 0.739 nan 8.150 nan 0.000 0.451 358 A N -0.666 122.021 122.820 -0.221 0.000 1.929 358 A HA 0.286 4.606 4.320 -0.001 0.000 0.216 358 A C 2.480 180.065 177.584 0.002 0.000 1.176 358 A CA 1.764 53.772 52.037 -0.047 0.000 0.628 358 A CB -0.897 18.129 19.000 0.043 0.000 0.816 358 A HN 1.064 nan 8.150 nan 0.000 0.444 359 A N 0.047 122.861 122.820 -0.009 0.000 1.902 359 A HA 0.170 4.489 4.320 -0.001 0.000 0.217 359 A C 2.486 180.073 177.584 0.004 0.000 1.181 359 A CA 2.026 54.083 52.037 0.033 0.000 0.623 359 A CB -0.958 17.992 19.000 -0.083 0.000 0.818 359 A HN 0.968 nan 8.150 nan 0.000 0.443 360 A N -0.255 122.539 122.820 -0.043 0.000 1.873 360 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 360 A C 2.232 179.860 177.584 0.074 0.000 1.186 360 A CA 1.499 53.556 52.037 0.034 0.000 0.616 360 A CB -0.493 18.577 19.000 0.116 0.000 0.823 360 A HN 0.528 nan 8.150 nan 0.000 0.442 361 R N -1.300 119.247 120.500 0.078 0.000 2.103 361 R HA -0.166 4.173 4.340 -0.001 0.000 0.242 361 R C 2.357 178.693 176.300 0.060 0.000 1.142 361 R CA 1.712 57.868 56.100 0.094 0.000 0.960 361 R CB -0.402 29.952 30.300 0.091 0.000 0.858 361 R HN 0.598 nan 8.270 nan 0.000 0.439 362 M N 1.176 120.807 119.600 0.052 0.000 2.086 362 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 362 M C 1.754 178.079 176.300 0.043 0.000 1.067 362 M CA 1.879 57.210 55.300 0.051 0.000 1.116 362 M CB -0.370 32.269 32.600 0.064 0.000 1.348 362 M HN 0.171 nan 8.290 nan 0.000 0.407 363 Q N -0.914 118.908 119.800 0.037 0.000 2.084 363 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 363 Q C 2.405 178.404 176.000 -0.001 0.000 0.978 363 Q CA 1.937 57.754 55.803 0.023 0.000 0.844 363 Q CB -0.469 28.276 28.738 0.012 0.000 0.898 363 Q HN 0.664 nan 8.270 nan 0.000 0.426 364 C N 0.745 120.039 119.300 -0.011 0.000 2.413 364 C HA -0.179 4.280 4.460 -0.001 0.000 0.276 364 C C 2.832 177.819 174.990 -0.004 0.000 1.236 364 C CA 1.156 60.153 59.018 -0.034 0.000 1.735 364 C CB -0.793 26.938 27.740 -0.014 0.000 2.031 364 C HN 0.497 nan 8.230 nan 0.000 0.474 365 R N -0.066 120.446 120.500 0.021 0.000 2.073 365 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 365 R C 1.999 178.318 176.300 0.033 0.000 1.134 365 R CA 2.359 58.477 56.100 0.030 0.000 0.952 365 R CB -0.376 29.947 30.300 0.038 0.000 0.850 365 R HN 0.442 nan 8.270 nan 0.000 0.433 366 V N 1.257 121.193 119.914 0.037 0.000 2.295 366 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 366 V C 2.574 178.697 176.094 0.049 0.000 1.049 366 V CA 1.930 64.257 62.300 0.045 0.000 1.024 366 V CB -0.874 30.981 31.823 0.054 0.000 0.648 366 V HN 0.582 nan 8.190 nan 0.000 0.447 367 A N 0.073 122.920 122.820 0.046 0.000 1.865 367 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 367 A C 2.186 179.800 177.584 0.050 0.000 1.191 367 A CA 2.265 54.339 52.037 0.062 0.000 0.623 367 A CB -0.672 18.347 19.000 0.031 0.000 0.826 367 A HN 0.462 nan 8.150 nan 0.000 0.444 368 L N -0.186 121.054 121.223 0.029 0.000 2.046 368 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 368 L C 2.379 179.285 176.870 0.059 0.000 1.077 368 L CA 2.896 57.761 54.840 0.042 0.000 0.747 368 L CB -1.269 40.810 42.059 0.033 0.000 0.896 368 L HN 0.375 nan 8.230 nan 0.000 0.432 369 T N -0.288 114.296 114.554 0.051 0.000 2.684 369 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 369 T C 1.721 176.456 174.700 0.058 0.000 1.036 369 T CA 1.683 63.815 62.100 0.053 0.000 1.148 369 T CB -0.204 68.691 68.868 0.045 0.000 0.863 369 T HN 0.351 nan 8.240 nan 0.000 0.436 370 E N 0.759 120.991 120.200 0.054 0.000 2.152 370 E HA 0.034 4.384 4.350 -0.001 0.000 0.192 370 E C 2.178 178.814 176.600 0.059 0.000 0.983 370 E CA 0.318 56.748 56.400 0.050 0.000 0.818 370 E CB -0.587 29.137 29.700 0.040 0.000 0.758 370 E HN 0.324 nan 8.360 nan 0.000 0.467 371 L N 0.707 121.967 121.223 0.061 0.000 2.012 371 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 371 L C 2.157 179.113 176.870 0.144 0.000 1.073 371 L CA 1.579 56.464 54.840 0.074 0.000 0.748 371 L CB -0.500 41.579 42.059 0.034 0.000 0.891 371 L HN 0.072 nan 8.230 nan 0.000 0.431 372 L N -0.859 120.446 121.223 0.137 0.000 2.109 372 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 372 L C 2.645 179.583 176.870 0.114 0.000 1.086 372 L CA 0.945 55.875 54.840 0.150 0.000 0.760 372 L CB -0.839 41.293 42.059 0.122 0.000 0.910 372 L HN 0.392 nan 8.230 nan 0.000 0.437 373 A N 0.177 123.049 122.820 0.087 0.000 1.930 373 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 373 A C 2.342 179.969 177.584 0.071 0.000 1.175 373 A CA 1.520 53.598 52.037 0.068 0.000 0.627 373 A CB -0.225 18.807 19.000 0.053 0.000 0.815 373 A HN 0.365 nan 8.150 nan 0.000 0.443 374 R N -2.896 117.653 120.500 0.083 0.000 2.257 374 R HA 0.187 4.527 4.340 -0.001 0.000 0.195 374 R C -0.031 176.334 176.300 0.108 0.000 0.921 374 R CA 0.667 56.813 56.100 0.077 0.000 1.069 374 R CB 0.420 30.754 30.300 0.057 0.000 1.115 374 R HN 0.394 nan 8.270 nan 0.000 0.571 375 C N 1.926 121.324 119.300 0.163 0.000 2.814 375 C HA 0.303 4.763 4.460 -0.001 0.000 0.242 375 C C -1.655 173.545 174.990 0.349 0.000 1.704 375 C CA -1.154 58.008 59.018 0.239 0.000 1.608 375 C CB 0.813 28.752 27.740 0.332 0.000 2.939 375 C HN 0.282 nan 8.230 nan 0.000 0.512 376 P HA -0.003 nan 4.420 nan 0.000 0.217 376 P C 0.294 177.690 177.300 0.160 0.000 1.151 376 P CA 1.826 65.068 63.100 0.237 0.000 0.828 376 P CB 0.098 31.872 31.700 0.124 0.000 0.788 377 D N 0.826 121.282 120.400 0.094 0.000 2.441 377 D HA 0.434 5.074 4.640 -0.001 0.000 0.221 377 D C -0.308 176.007 176.300 0.025 0.000 1.156 377 D CA -0.663 53.334 54.000 -0.005 0.000 0.896 377 D CB -1.158 39.634 40.800 -0.013 0.000 1.028 377 D HN 0.251 nan 8.370 nan 0.000 0.509 378 F N -1.701 118.235 119.950 -0.022 0.000 2.613 378 F HA 0.791 5.317 4.527 -0.001 0.000 0.310 378 F C -0.605 175.142 175.800 -0.089 0.000 1.085 378 F CA -1.242 56.653 58.000 -0.175 0.000 0.945 378 F CB 1.829 40.739 39.000 -0.150 0.000 1.298 378 F HN 0.162 nan 8.300 nan 0.000 0.455 379 E N 1.589 121.779 120.200 -0.018 0.000 2.288 379 E HA 0.721 5.070 4.350 -0.001 0.000 0.268 379 E C -1.675 174.820 176.600 -0.175 0.000 0.885 379 E CA -1.261 55.014 56.400 -0.209 0.000 0.767 379 E CB 3.252 32.861 29.700 -0.152 0.000 1.220 379 E HN 0.552 nan 8.360 nan 0.000 0.427 380 V N 1.120 120.720 119.914 -0.524 0.000 2.841 380 V HA 0.626 4.746 4.120 -0.001 0.000 0.310 380 V C -1.115 174.857 176.094 -0.203 0.000 1.090 380 V CA -0.695 61.501 62.300 -0.174 0.000 0.930 380 V CB 1.982 33.843 31.823 0.065 0.000 1.014 380 V HN 0.779 nan 8.190 nan 0.000 0.425 381 A N 2.611 125.401 122.820 -0.050 0.000 2.256 381 A HA 0.566 4.886 4.320 -0.001 0.000 0.317 381 A C 0.789 178.408 177.584 0.058 0.000 1.318 381 A CA -0.429 51.615 52.037 0.012 0.000 0.894 381 A CB 0.402 19.410 19.000 0.013 0.000 1.165 381 A HN 0.931 nan 8.150 nan 0.000 0.525 382 E N 2.378 122.643 120.200 0.109 0.000 2.097 382 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 382 E C 2.392 179.079 176.600 0.145 0.000 1.000 382 E CA 1.581 58.074 56.400 0.156 0.000 0.804 382 E CB -0.164 29.654 29.700 0.197 0.000 0.740 382 E HN 0.916 nan 8.360 nan 0.000 0.454 383 S N 1.321 117.088 115.700 0.112 0.000 2.423 383 S HA -0.185 4.284 4.470 -0.001 0.000 0.238 383 S C 2.001 176.646 174.600 0.074 0.000 1.028 383 S CA 1.425 59.681 58.200 0.094 0.000 1.000 383 S CB -0.344 62.897 63.200 0.069 0.000 0.797 383 S HN 0.085 nan 8.310 nan 0.000 0.487 384 R N -0.287 120.243 120.500 0.051 0.000 2.362 384 R HA 0.375 4.715 4.340 -0.001 0.000 0.227 384 R C -0.360 175.933 176.300 -0.012 0.000 0.905 384 R CA -0.253 55.861 56.100 0.022 0.000 1.067 384 R CB 0.222 30.528 30.300 0.010 0.000 1.078 384 R HN 0.433 nan 8.270 nan 0.000 0.516 385 I N 1.686 122.244 120.570 -0.020 0.000 2.556 385 I HA 0.030 4.200 4.170 -0.001 0.000 0.284 385 I C -0.014 175.984 176.117 -0.199 0.000 1.114 385 I CA -0.106 61.092 61.300 -0.170 0.000 1.418 385 I CB 1.169 39.019 38.000 -0.249 0.000 1.394 385 I HN -0.246 nan 8.210 nan 0.000 0.552 386 V N 6.072 125.823 119.914 -0.272 0.000 2.417 386 V HA 0.273 4.393 4.120 -0.001 0.000 0.291 386 V C -0.643 175.285 176.094 -0.277 0.000 1.024 386 V CA -0.606 61.606 62.300 -0.148 0.000 0.861 386 V CB 1.198 32.985 31.823 -0.060 0.000 0.985 386 V HN 0.568 nan 8.190 nan 0.000 0.436 387 W N 2.224 123.564 121.300 0.067 0.000 2.438 387 W HA 0.560 5.220 4.660 -0.001 0.000 0.324 387 W C 0.938 177.514 176.519 0.095 0.000 1.119 387 W CA -0.173 57.218 57.345 0.077 0.000 1.221 387 W CB 1.397 30.949 29.460 0.154 0.000 1.253 387 W HN 0.552 nan 8.180 nan 0.000 0.555 388 S N 1.618 117.486 115.700 0.280 0.000 2.572 388 S HA 0.420 4.890 4.470 -0.001 0.000 0.279 388 S C 0.640 175.438 174.600 0.331 0.000 1.341 388 S CA -0.148 58.184 58.200 0.219 0.000 1.043 388 S CB 0.096 63.377 63.200 0.135 0.000 0.887 388 S HN 0.648 nan 8.310 nan 0.000 0.516 389 G N 1.285 110.233 108.800 0.246 0.000 2.667 389 G HA2 0.530 4.490 3.960 -0.001 0.000 0.250 389 G HA3 0.530 4.490 3.960 -0.001 0.000 0.250 389 G C 0.386 175.458 174.900 0.287 0.000 1.212 389 G CA -0.039 45.205 45.100 0.241 0.000 0.874 389 G HN 1.620 nan 8.290 nan 0.000 0.561 390 G N -1.628 107.325 108.800 0.255 0.000 2.885 390 G HA2 0.183 4.142 3.960 -0.001 0.000 0.685 390 G HA3 0.183 4.142 3.960 -0.001 0.000 0.685 390 G C 0.286 175.368 174.900 0.304 0.000 1.216 390 G CA 0.152 45.403 45.100 0.253 0.000 0.790 390 G HN 1.120 nan 8.290 nan 0.000 0.631 391 S N 0.683 116.399 115.700 0.028 0.000 2.593 391 S HA 0.204 4.673 4.470 -0.001 0.000 0.217 391 S C 1.167 175.569 174.600 -0.329 0.000 0.966 391 S CA 1.042 59.065 58.200 -0.296 0.000 0.914 391 S CB 0.000 62.853 63.200 -0.579 0.000 0.776 391 S HN 0.583 nan 8.310 nan 0.000 0.523 392 Y N 0.153 120.677 120.300 0.374 0.000 2.609 392 Y HA 0.373 4.923 4.550 -0.000 0.000 0.281 392 Y C 0.697 176.738 175.900 0.234 0.000 1.132 392 Y CA -0.255 58.009 58.100 0.273 0.000 1.264 392 Y CB 0.292 38.833 38.460 0.134 0.000 1.325 392 Y HN -0.035 nan 8.280 nan 0.000 0.514 393 V N 2.043 122.120 119.914 0.272 0.000 2.417 393 V HA 0.386 4.506 4.120 -0.001 0.000 0.291 393 V C -0.344 175.536 176.094 -0.357 0.000 1.024 393 V CA -1.044 61.267 62.300 0.019 0.000 0.861 393 V CB 1.687 33.547 31.823 0.062 0.000 0.985 393 V HN 0.090 nan 8.190 nan 0.000 0.436 394 R N 5.230 125.322 120.500 -0.680 0.000 2.215 394 R HA 0.661 5.000 4.340 -0.001 0.000 0.337 394 R C -0.505 175.610 176.300 -0.307 0.000 1.010 394 R CA -0.596 54.817 56.100 -1.146 0.000 0.871 394 R CB 0.516 30.019 30.300 -1.328 0.000 1.134 394 R HN 0.904 nan 8.270 nan 0.000 0.477 395 R N 3.386 123.856 120.500 -0.050 0.000 2.604 395 R HA 0.516 4.856 4.340 -0.001 0.000 0.270 395 R C -3.017 173.330 176.300 0.078 0.000 1.052 395 R CA -1.954 54.207 56.100 0.102 0.000 0.902 395 R CB 1.587 31.888 30.300 0.003 0.000 1.233 395 R HN 0.295 nan 8.270 nan 0.000 0.455 396 P HA 0.149 nan 4.420 nan 0.000 0.279 396 P C 0.039 177.213 177.300 -0.210 0.000 1.239 396 P CA -0.597 62.200 63.100 -0.504 0.000 0.789 396 P CB 1.221 32.465 31.700 -0.761 0.000 0.933 397 L N 0.789 121.909 121.223 -0.172 0.000 2.270 397 L HA 0.066 4.406 4.340 -0.001 0.000 0.210 397 L C 1.276 178.083 176.870 -0.106 0.000 1.104 397 L CA 1.190 55.977 54.840 -0.088 0.000 0.804 397 L CB -0.034 42.003 42.059 -0.037 0.000 0.937 397 L HN 0.459 nan 8.230 nan 0.000 0.450 398 S N -0.633 114.966 115.700 -0.168 0.000 2.572 398 S HA 0.517 4.987 4.470 -0.001 0.000 0.274 398 S C -1.057 173.434 174.600 -0.182 0.000 1.150 398 S CA -0.519 57.597 58.200 -0.139 0.000 0.944 398 S CB 1.888 65.030 63.200 -0.097 0.000 1.071 398 S HN -0.185 nan 8.310 nan 0.000 0.479 399 V N 6.350 126.179 119.914 -0.141 0.000 2.385 399 V HA 0.424 4.544 4.120 -0.001 0.000 0.277 399 V C -2.522 173.544 176.094 -0.047 0.000 1.012 399 V CA -1.800 60.434 62.300 -0.110 0.000 0.832 399 V CB 1.306 33.070 31.823 -0.097 0.000 1.028 399 V HN 0.714 nan 8.190 nan 0.000 0.436 400 P HA 0.132 nan 4.420 nan 0.000 0.264 400 P C -0.944 176.420 177.300 0.106 0.000 1.193 400 P CA 0.295 63.410 63.100 0.024 0.000 0.763 400 P CB 0.164 31.864 31.700 0.000 0.000 0.810 401 F N 2.707 122.606 119.950 -0.085 0.000 2.562 401 F HA 0.660 5.187 4.527 -0.001 0.000 0.319 401 F C -0.280 175.496 175.800 -0.041 0.000 1.154 401 F CA -0.562 57.393 58.000 -0.075 0.000 0.931 401 F CB 1.178 40.087 39.000 -0.151 0.000 1.198 401 F HN 0.189 nan 8.300 nan 0.000 0.444 402 R N 4.009 124.247 120.500 -0.436 0.000 2.562 402 R HA 0.963 5.302 4.340 -0.001 0.000 0.298 402 R C -1.976 174.000 176.300 -0.541 0.000 0.961 402 R CA -0.159 55.712 56.100 -0.381 0.000 0.881 402 R CB 1.382 31.574 30.300 -0.180 0.000 1.159 402 R HN 0.966 nan 8.270 nan 0.000 0.450 403 V N 0.000 119.681 119.914 -0.388 0.000 2.409 403 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 403 V CA 0.000 62.144 62.300 -0.260 0.000 1.235 403 V CB 0.000 31.657 31.823 -0.276 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556