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 3cfd_1_B DATA FIRST_RESID 1 DATA SEQUENCE EVQLQESGPG LVKPSQSLSL TcTVTGYSIT SDYANWLRQL PGNKLEWMGY DATA SEQUENCE ISYSGRIRYN PSLKRRISIT RDTSKNQFFL QVTTEDTATY YcARSDYGNG DATA SEQUENCE DYWGQGTSVT VSSAKTTPPS VYPLAPGCGD XXTTGSSVTS GcLVKGYFPE DATA SEQUENCE SVTVXTWXXX XNSGSLSSSX VHTFPALLQS XXGLYTMSSS VTVPSSXTWP DATA SEQUENCE XSETVTXcSV AHPASSTTVD KKLXXEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1 E C 0.000 176.517 176.600 -0.138 0.000 1.382 1 E CA 0.000 56.379 56.400 -0.035 0.000 0.976 1 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 2 V N 2.339 122.038 119.914 -0.358 0.000 2.585 2 V HA 0.220 4.499 4.120 0.265 0.000 0.296 2 V C 0.046 175.897 176.094 -0.406 0.000 1.035 2 V CA 0.656 62.618 62.300 -0.564 0.000 1.084 2 V CB 1.074 32.145 31.823 -1.253 0.000 0.953 2 V HN 0.243 8.433 8.190 0.000 0.000 0.483 3 Q N 3.705 123.380 119.800 -0.208 0.000 2.315 3 Q HA 0.666 5.165 4.340 0.265 0.000 0.273 3 Q C -1.802 174.167 176.000 -0.052 0.000 1.053 3 Q CA -0.796 54.959 55.803 -0.080 0.000 0.817 3 Q CB 2.615 31.334 28.738 -0.031 0.000 1.326 3 Q HN 0.542 8.812 8.270 0.000 0.000 0.423 4 L N 2.376 123.594 121.223 -0.008 0.000 2.362 4 L HA 0.512 5.011 4.340 0.265 0.000 0.271 4 L C -0.917 175.950 176.870 -0.005 0.000 1.002 4 L CA -0.364 54.465 54.840 -0.019 0.000 0.818 4 L CB 1.989 44.040 42.059 -0.013 0.000 1.298 4 L HN 0.546 8.776 8.230 0.000 0.000 0.420 5 Q N 1.895 121.671 119.800 -0.041 0.000 2.284 5 Q HA 0.508 5.007 4.340 0.265 0.000 0.269 5 Q C -1.633 174.346 176.000 -0.034 0.000 1.026 5 Q CA -0.916 54.877 55.803 -0.016 0.000 0.831 5 Q CB 2.668 31.407 28.738 0.002 0.000 1.322 5 Q HN 0.563 8.833 8.270 0.000 0.000 0.419 6 E N 2.125 122.331 120.200 0.010 0.000 2.277 6 E HA 0.580 5.089 4.350 0.265 0.000 0.274 6 E C -0.745 175.889 176.600 0.057 0.000 1.022 6 E CA -0.493 55.952 56.400 0.075 0.000 0.853 6 E CB 1.754 31.581 29.700 0.211 0.000 1.086 6 E HN 0.732 9.092 8.360 0.000 0.000 0.397 7 S N 0.071 115.808 115.700 0.062 0.000 2.638 7 S HA 0.898 5.527 4.470 0.265 0.000 0.274 7 S C -0.048 174.556 174.600 0.007 0.000 1.157 7 S CA -0.308 57.905 58.200 0.022 0.000 0.826 7 S CB 1.865 65.073 63.200 0.014 0.000 1.139 7 S HN 1.240 9.550 8.310 0.000 0.000 0.474 8 G N 0.284 109.071 108.800 -0.022 0.000 2.339 8 G HA2 0.396 4.515 3.960 0.265 0.000 0.381 8 G HA3 0.396 4.515 3.960 0.265 0.000 0.381 8 G C -3.564 171.294 174.900 -0.071 0.000 1.400 8 G CA -0.879 44.189 45.100 -0.053 0.000 1.002 8 G HN 0.768 9.058 8.290 0.000 0.000 0.633 9 P HA 0.377 4.797 4.420 0.000 0.000 0.268 9 P C 1.054 178.301 177.300 -0.088 0.000 1.205 9 P CA 0.604 63.657 63.100 -0.078 0.000 0.771 9 P CB 1.030 32.686 31.700 -0.073 0.000 0.858 10 G N 1.316 110.070 108.800 -0.078 0.000 2.880 10 G HA2 0.176 4.295 3.960 0.265 0.000 0.209 10 G HA3 0.176 4.295 3.960 0.265 0.000 0.209 10 G C -0.228 174.630 174.900 -0.070 0.000 1.157 10 G CA 0.286 45.339 45.100 -0.078 0.000 0.779 10 G HN 0.436 8.726 8.290 0.000 0.000 0.539 11 L N 1.187 122.377 121.223 -0.056 0.000 2.439 11 L HA 0.662 5.161 4.340 0.265 0.000 0.270 11 L C -1.024 175.843 176.870 -0.005 0.000 0.972 11 L CA -1.014 53.815 54.840 -0.018 0.000 0.836 11 L CB 2.291 44.350 42.059 -0.000 0.000 1.255 11 L HN -0.121 8.109 8.230 0.000 0.000 0.404 12 V N 2.988 122.906 119.914 0.007 0.000 2.735 12 V HA 0.567 4.847 4.120 0.265 0.000 0.310 12 V C -0.206 175.904 176.094 0.026 0.000 1.061 12 V CA -1.083 61.215 62.300 -0.004 0.000 0.913 12 V CB 1.796 33.594 31.823 -0.042 0.000 1.005 12 V HN 0.636 8.826 8.190 0.000 0.000 0.428 13 K N 2.904 123.314 120.400 0.018 0.000 2.218 13 K HA 0.414 4.893 4.320 0.265 0.000 0.276 13 K C -2.601 174.007 176.600 0.013 0.000 1.022 13 K CA -1.556 54.745 56.287 0.025 0.000 0.946 13 K CB 0.762 33.272 32.500 0.017 0.000 1.000 13 K HN 0.409 8.659 8.250 0.000 0.000 0.468 14 P HA -0.157 4.263 4.420 0.000 0.000 0.263 14 P C 0.272 177.571 177.300 -0.001 0.000 1.175 14 P CA 0.815 63.921 63.100 0.010 0.000 0.761 14 P CB 0.716 32.423 31.700 0.012 0.000 0.794 15 S N 0.199 115.896 115.700 -0.006 0.000 2.427 15 S HA -0.208 4.421 4.470 0.265 0.000 0.253 15 S C 0.377 174.964 174.600 -0.021 0.000 1.246 15 S CA 1.228 59.421 58.200 -0.012 0.000 1.421 15 S CB -1.696 61.498 63.200 -0.010 0.000 1.769 15 S HN 0.625 8.935 8.310 0.000 0.000 0.620 16 Q N 1.323 121.109 119.800 -0.023 0.000 2.222 16 Q HA 0.609 5.109 4.340 0.265 0.000 0.211 16 Q C 0.181 176.151 176.000 -0.049 0.000 1.013 16 Q CA 0.032 55.815 55.803 -0.034 0.000 0.993 16 Q CB 1.186 29.905 28.738 -0.032 0.000 1.151 16 Q HN 0.622 8.892 8.270 0.000 0.000 0.544 17 S N 0.096 115.758 115.700 -0.063 0.000 2.541 17 S HA 0.518 5.147 4.470 0.265 0.000 0.283 17 S C -0.608 173.927 174.600 -0.109 0.000 1.196 17 S CA -0.899 57.249 58.200 -0.086 0.000 1.062 17 S CB 0.775 63.922 63.200 -0.089 0.000 1.009 17 S HN 0.536 8.846 8.310 0.000 0.000 0.502 18 L N 2.203 123.338 121.223 -0.146 0.000 2.289 18 L HA 0.598 5.097 4.340 0.265 0.000 0.285 18 L C -0.615 176.110 176.870 -0.242 0.000 1.049 18 L CA -0.007 54.709 54.840 -0.207 0.000 0.804 18 L CB 1.412 43.306 42.059 -0.275 0.000 1.195 18 L HN 0.783 9.013 8.230 0.000 0.000 0.428 19 S N 5.555 121.116 115.700 -0.232 0.000 2.532 19 S HA 0.731 5.360 4.470 0.265 0.000 0.299 19 S C -0.844 173.616 174.600 -0.233 0.000 1.105 19 S CA -0.518 57.550 58.200 -0.219 0.000 1.018 19 S CB 1.543 64.655 63.200 -0.147 0.000 1.021 19 S HN 0.496 8.806 8.310 0.000 0.000 0.483 20 L N 1.898 122.952 121.223 -0.282 0.000 2.393 20 L HA 0.659 5.158 4.340 0.265 0.000 0.260 20 L C -0.489 176.367 176.870 -0.023 0.000 1.002 20 L CA -0.704 53.996 54.840 -0.233 0.000 0.818 20 L CB 2.693 44.476 42.059 -0.461 0.000 1.369 20 L HN 0.488 8.718 8.230 0.000 0.000 0.412 21 T N -0.020 114.608 114.554 0.124 0.000 2.885 21 T HA 0.357 4.866 4.350 0.265 0.000 0.285 21 T C -1.170 173.592 174.700 0.104 0.000 1.019 21 T CA -0.383 61.814 62.100 0.161 0.000 1.010 21 T CB 1.876 70.854 68.868 0.185 0.000 1.022 21 T HN 0.591 8.831 8.240 0.000 0.000 0.466 22 c N 3.179 121.656 118.600 -0.206 0.000 2.319 22 c HA 0.672 5.401 4.570 0.265 0.000 0.323 22 c C 0.221 174.055 174.090 -0.427 0.000 1.277 22 c CA -0.267 55.779 56.329 -0.473 0.000 1.517 22 c CB -0.504 41.256 42.510 -1.249 0.000 2.206 22 c HN 0.927 9.157 8.230 0.000 0.000 0.486 23 T N 5.518 119.942 114.554 -0.216 0.000 2.744 23 T HA 0.457 4.966 4.350 0.265 0.000 0.291 23 T C -0.219 174.430 174.700 -0.086 0.000 0.957 23 T CA -0.194 61.829 62.100 -0.128 0.000 1.002 23 T CB 1.043 69.873 68.868 -0.064 0.000 0.919 23 T HN 0.569 8.809 8.240 0.000 0.000 0.468 24 V N 4.639 124.529 119.914 -0.040 0.000 2.435 24 V HA 0.682 4.962 4.120 0.265 0.000 0.290 24 V C 0.537 176.626 176.094 -0.007 0.000 1.030 24 V CA -0.721 61.579 62.300 -0.001 0.000 0.881 24 V CB 1.668 33.532 31.823 0.068 0.000 0.983 24 V HN 1.106 9.296 8.190 0.000 0.000 0.445 25 T N 0.212 114.754 114.554 -0.020 0.000 2.906 25 T HA 0.693 5.202 4.350 0.265 0.000 0.295 25 T C 0.791 175.475 174.700 -0.026 0.000 1.075 25 T CA 0.037 62.125 62.100 -0.020 0.000 1.005 25 T CB 1.780 70.635 68.868 -0.022 0.000 1.136 25 T HN 1.660 9.900 8.240 0.000 0.000 0.498 26 G N -0.022 108.768 108.800 -0.015 0.000 2.184 26 G HA2 -0.234 3.885 3.960 0.265 0.000 0.264 26 G HA3 -0.234 3.885 3.960 0.265 0.000 0.264 26 G C -0.242 174.692 174.900 0.056 0.000 0.975 26 G CA 0.753 45.848 45.100 -0.008 0.000 0.642 26 G HN 1.263 9.553 8.290 0.000 0.000 0.536 27 Y N 0.071 120.308 120.300 -0.105 0.000 2.552 27 Y HA 0.585 5.294 4.550 0.265 0.000 0.337 27 Y C -0.322 175.543 175.900 -0.058 0.000 1.094 27 Y CA -0.407 57.636 58.100 -0.094 0.000 1.028 27 Y CB 1.682 40.047 38.460 -0.158 0.000 1.321 27 Y HN 0.506 8.786 8.280 0.000 0.000 0.456 28 S N 4.741 120.087 115.700 -0.589 0.000 2.480 28 S HA 0.320 4.949 4.470 0.265 0.000 0.286 28 S C 0.889 175.392 174.600 -0.162 0.000 1.180 28 S CA -0.479 57.543 58.200 -0.296 0.000 1.075 28 S CB 0.291 63.316 63.200 -0.292 0.000 0.996 28 S HN 0.736 9.046 8.310 0.000 0.000 0.487 29 I N 2.625 123.192 120.570 -0.005 0.000 3.334 29 I HA 0.094 4.423 4.170 0.265 0.000 0.282 29 I C 1.126 177.277 176.117 0.056 0.000 1.313 29 I CA 0.687 62.024 61.300 0.061 0.000 1.396 29 I CB -0.564 37.464 38.000 0.047 0.000 1.054 29 I HN 0.597 8.807 8.210 0.000 0.000 0.495 30 T N -1.492 113.071 114.554 0.015 0.000 3.065 30 T HA 0.165 4.674 4.350 0.265 0.000 0.252 30 T C 1.834 176.560 174.700 0.044 0.000 1.099 30 T CA 0.665 62.794 62.100 0.048 0.000 1.063 30 T CB 0.138 69.011 68.868 0.009 0.000 0.948 30 T HN 0.337 8.577 8.240 0.000 0.000 0.506 31 S N 1.009 116.669 115.700 -0.067 0.000 2.362 31 S HA 0.086 4.715 4.470 0.265 0.000 0.221 31 S C 0.598 175.069 174.600 -0.214 0.000 1.032 31 S CA 0.728 58.840 58.200 -0.147 0.000 0.973 31 S CB -0.017 62.990 63.200 -0.321 0.000 0.849 31 S HN 0.568 8.878 8.310 0.000 0.000 0.465 32 D N -2.626 117.729 120.400 -0.075 0.000 2.769 32 D HA 0.400 5.199 4.640 0.265 0.000 0.309 32 D C -1.732 174.626 176.300 0.098 0.000 1.315 32 D CA -0.505 53.259 54.000 -0.394 0.000 0.780 32 D CB 0.319 40.894 40.800 -0.375 0.000 1.312 32 D HN -0.003 8.367 8.370 0.000 0.000 0.437 33 Y N -2.198 118.104 120.300 0.003 0.000 2.503 33 Y HA 0.078 4.788 4.550 0.266 0.000 0.156 33 Y C 0.229 176.102 175.900 -0.046 0.000 1.697 33 Y CA 0.383 58.493 58.100 0.016 0.000 1.422 33 Y CB -1.355 37.078 38.460 -0.046 0.000 2.067 33 Y HN 0.545 8.825 8.280 0.000 0.000 0.255 34 A N 0.598 123.441 122.820 0.038 0.000 3.200 34 A HA 0.947 5.426 4.320 0.265 0.000 0.208 34 A C -0.544 176.914 177.584 -0.211 0.000 1.360 34 A CA -0.157 51.737 52.037 -0.238 0.000 0.892 34 A CB 1.457 20.197 19.000 -0.434 0.000 1.600 34 A HN 0.767 8.917 8.150 0.000 0.000 0.501 35 N N -2.370 116.197 118.700 -0.221 0.000 3.340 35 N HA 0.141 5.040 4.740 0.265 0.000 0.234 35 N C -2.316 173.147 175.510 -0.079 0.000 1.196 35 N CA -0.192 52.876 53.050 0.030 0.000 0.958 35 N CB 0.751 39.343 38.487 0.175 0.000 1.608 35 N HN 0.631 9.011 8.380 0.000 0.000 0.515 36 W N 1.776 123.150 121.300 0.123 0.000 2.529 36 W HA 0.663 5.481 4.660 0.265 0.000 0.321 36 W C -0.453 176.063 176.519 -0.004 0.000 1.047 36 W CA -0.426 56.985 57.345 0.110 0.000 1.216 36 W CB 1.113 30.644 29.460 0.119 0.000 1.357 36 W HN 0.297 8.477 8.180 0.000 0.000 0.489 37 L N 3.369 124.814 121.223 0.370 0.000 2.327 37 L HA 0.733 5.232 4.340 0.265 0.000 0.258 37 L C -0.323 176.728 176.870 0.302 0.000 1.024 37 L CA -1.293 53.721 54.840 0.290 0.000 0.825 37 L CB 1.978 44.209 42.059 0.287 0.000 1.386 37 L HN 0.436 8.666 8.230 0.000 0.000 0.417 38 R N 0.661 121.255 120.500 0.156 0.000 2.668 38 R HA 0.654 5.153 4.340 0.265 0.000 0.272 38 R C -1.623 174.700 176.300 0.039 0.000 1.019 38 R CA -0.865 55.198 56.100 -0.061 0.000 0.894 38 R CB 1.930 31.892 30.300 -0.563 0.000 1.228 38 R HN 0.650 8.920 8.270 0.000 0.000 0.460 39 Q N 3.169 122.996 119.800 0.045 0.000 2.339 39 Q HA 0.352 4.851 4.340 0.265 0.000 0.268 39 Q C -1.464 174.554 176.000 0.031 0.000 1.027 39 Q CA -0.764 55.097 55.803 0.098 0.000 0.759 39 Q CB 1.504 30.375 28.738 0.222 0.000 1.244 39 Q HN 0.622 8.892 8.270 0.000 0.000 0.464 40 L N 4.756 125.994 121.223 0.025 0.000 2.454 40 L HA 0.509 5.008 4.340 0.265 0.000 0.256 40 L C -2.022 174.876 176.870 0.047 0.000 1.136 40 L CA -1.951 52.904 54.840 0.025 0.000 0.804 40 L CB 0.118 42.193 42.059 0.026 0.000 1.181 40 L HN 0.615 8.845 8.230 0.000 0.000 0.469 41 P HA 0.047 4.467 4.420 0.000 0.000 0.257 41 P C 0.621 177.951 177.300 0.049 0.000 1.162 41 P CA 1.241 64.375 63.100 0.056 0.000 0.762 41 P CB 0.162 31.898 31.700 0.060 0.000 0.753 42 G N 3.320 112.149 108.800 0.048 0.000 2.184 42 G HA2 -0.239 3.881 3.960 0.265 0.000 0.206 42 G HA3 -0.239 3.881 3.960 0.265 0.000 0.206 42 G C 0.634 175.559 174.900 0.041 0.000 0.995 42 G CA 0.038 45.163 45.100 0.042 0.000 0.651 42 G HN 0.593 8.883 8.290 0.000 0.000 0.511 43 N N -0.626 118.102 118.700 0.048 0.000 2.800 43 N HA -0.163 4.736 4.740 0.265 0.000 0.250 43 N C 0.353 175.891 175.510 0.047 0.000 1.078 43 N CA 1.723 54.802 53.050 0.048 0.000 0.804 43 N CB -0.672 37.836 38.487 0.036 0.000 1.135 43 N HN 0.931 9.311 8.380 0.000 0.000 0.565 44 K N 0.944 121.374 120.400 0.050 0.000 2.273 44 K HA 0.360 4.839 4.320 0.265 0.000 0.287 44 K C 0.003 176.644 176.600 0.069 0.000 1.089 44 K CA -0.509 55.810 56.287 0.053 0.000 0.909 44 K CB 1.285 33.814 32.500 0.048 0.000 1.123 44 K HN 0.010 8.260 8.250 0.000 0.000 0.473 45 L N 2.591 123.861 121.223 0.079 0.000 2.331 45 L HA 0.204 4.703 4.340 0.265 0.000 0.278 45 L C -0.405 176.549 176.870 0.140 0.000 1.106 45 L CA 0.290 55.198 54.840 0.113 0.000 0.824 45 L CB 0.826 42.950 42.059 0.108 0.000 1.142 45 L HN 0.852 9.082 8.230 0.000 0.000 0.443 46 E N 4.573 124.871 120.200 0.163 0.000 2.241 46 E HA 0.156 4.665 4.350 0.265 0.000 0.263 46 E C -1.787 174.969 176.600 0.261 0.000 0.882 46 E CA -0.793 55.719 56.400 0.187 0.000 0.769 46 E CB 0.738 30.512 29.700 0.123 0.000 1.185 46 E HN 0.641 9.001 8.360 0.000 0.000 0.415 47 W N 6.721 128.091 121.300 0.116 0.000 2.266 47 W HA 0.181 5.000 4.660 0.265 0.000 0.317 47 W C 0.212 176.821 176.519 0.150 0.000 1.310 47 W CA -0.023 57.403 57.345 0.135 0.000 1.207 47 W CB 0.815 30.344 29.460 0.115 0.000 1.199 47 W HN 0.718 8.898 8.180 0.000 0.000 0.544 48 M N 4.324 123.692 119.600 -0.385 0.000 2.718 48 M HA 0.349 4.988 4.480 0.265 0.000 0.259 48 M C 0.965 176.761 176.300 -0.841 0.000 1.240 48 M CA 1.083 56.160 55.300 -0.373 0.000 1.210 48 M CB 0.107 32.667 32.600 -0.067 0.000 1.281 48 M HN 0.558 8.848 8.290 0.000 0.000 0.515 49 G N -0.481 107.510 108.800 -1.348 0.000 2.328 49 G HA2 0.420 4.539 3.960 0.265 0.000 0.295 49 G HA3 0.420 4.539 3.960 0.265 0.000 0.295 49 G C -2.326 172.362 174.900 -0.353 0.000 1.413 49 G CA -0.780 43.685 45.100 -1.059 0.000 0.817 49 G HN 0.225 8.515 8.290 0.000 0.000 0.546 50 Y N -1.268 119.052 120.300 0.035 0.000 2.609 50 Y HA 0.869 5.578 4.550 0.265 0.000 0.342 50 Y C -1.172 174.734 175.900 0.009 0.000 1.058 50 Y CA -2.546 55.616 58.100 0.102 0.000 1.055 50 Y CB 1.631 40.233 38.460 0.237 0.000 1.292 50 Y HN 0.745 9.025 8.280 0.000 0.000 0.476 51 I N 3.130 123.857 120.570 0.261 0.000 2.418 51 I HA 0.504 4.833 4.170 0.265 0.000 0.287 51 I C -0.070 175.998 176.117 -0.081 0.000 1.008 51 I CA -0.472 60.900 61.300 0.120 0.000 1.104 51 I CB 1.296 39.320 38.000 0.040 0.000 1.264 51 I HN 0.947 9.157 8.210 0.000 0.000 0.438 52 S N 5.540 121.140 115.700 -0.167 0.000 2.596 52 S HA 0.027 4.656 4.470 0.265 0.000 0.260 52 S C 1.104 175.471 174.600 -0.389 0.000 1.336 52 S CA 0.181 58.068 58.200 -0.521 0.000 0.993 52 S CB 0.448 63.073 63.200 -0.960 0.000 0.923 52 S HN 0.733 9.043 8.310 0.000 0.000 0.567 53 Y N -0.050 120.054 120.300 -0.326 0.000 2.483 53 Y HA 0.073 4.782 4.550 0.265 0.000 0.291 53 Y C 1.803 177.611 175.900 -0.153 0.000 1.143 53 Y CA 0.735 58.727 58.100 -0.181 0.000 1.289 53 Y CB -0.959 37.428 38.460 -0.122 0.000 0.983 53 Y HN 0.631 8.911 8.280 0.000 0.000 0.556 54 S N -1.176 114.021 115.700 -0.839 0.000 2.540 54 S HA 0.483 5.112 4.470 0.265 0.000 0.218 54 S C 1.569 176.007 174.600 -0.269 0.000 0.977 54 S CA -0.001 57.892 58.200 -0.511 0.000 0.918 54 S CB -0.032 62.786 63.200 -0.636 0.000 0.806 54 S HN 1.004 9.314 8.310 0.000 0.000 0.496 55 G N 1.473 110.135 108.800 -0.230 0.000 2.175 55 G HA2 -0.253 3.866 3.960 0.265 0.000 0.244 55 G HA3 -0.253 3.866 3.960 0.265 0.000 0.244 55 G C 0.084 174.935 174.900 -0.082 0.000 0.982 55 G CA -0.317 44.718 45.100 -0.108 0.000 0.641 55 G HN 0.563 8.853 8.290 0.000 0.000 0.527 56 R N -0.276 120.150 120.500 -0.124 0.000 2.490 56 R HA 0.652 5.151 4.340 0.265 0.000 0.280 56 R C 0.224 176.564 176.300 0.067 0.000 1.077 56 R CA 0.126 56.212 56.100 -0.023 0.000 1.065 56 R CB 0.644 30.948 30.300 0.008 0.000 1.003 56 R HN 0.338 8.608 8.270 0.000 0.000 0.470 57 I N 2.433 123.002 120.570 -0.001 0.000 2.608 57 I HA 0.492 4.821 4.170 0.265 0.000 0.295 57 I C -0.171 175.709 176.117 -0.395 0.000 1.049 57 I CA -0.936 60.266 61.300 -0.162 0.000 1.063 57 I CB 1.806 39.658 38.000 -0.246 0.000 1.248 57 I HN 0.364 8.574 8.210 0.000 0.000 0.424 58 R N 4.278 124.372 120.500 -0.678 0.000 2.740 58 R HA 0.608 5.107 4.340 0.265 0.000 0.273 58 R C -1.889 174.074 176.300 -0.563 0.000 0.998 58 R CA -1.028 54.717 56.100 -0.591 0.000 0.900 58 R CB 2.451 32.447 30.300 -0.507 0.000 1.223 58 R HN 0.406 8.676 8.270 0.000 0.000 0.466 59 Y N -0.338 119.946 120.300 -0.028 0.000 2.512 59 Y HA 0.287 4.996 4.550 0.265 0.000 0.348 59 Y C 0.532 176.484 175.900 0.087 0.000 0.990 59 Y CA -1.263 56.766 58.100 -0.119 0.000 1.033 59 Y CB 1.297 39.711 38.460 -0.077 0.000 1.259 59 Y HN 0.436 8.716 8.280 0.000 0.000 0.461 60 N N 3.759 122.578 118.700 0.198 0.000 2.447 60 N HA 0.033 4.932 4.740 0.265 0.000 0.263 60 N C -1.910 173.718 175.510 0.197 0.000 1.226 60 N CA -1.065 52.175 53.050 0.317 0.000 0.906 60 N CB 1.233 39.867 38.487 0.245 0.000 1.060 60 N HN 0.314 8.694 8.380 0.000 0.000 0.468 61 P HA -0.123 4.297 4.420 0.000 0.000 0.219 61 P C 1.087 178.437 177.300 0.082 0.000 1.146 61 P CA 1.186 64.359 63.100 0.122 0.000 0.808 61 P CB -0.003 31.761 31.700 0.106 0.000 0.779 62 S N -1.664 114.087 115.700 0.084 0.000 2.515 62 S HA 0.003 4.633 4.470 0.265 0.000 0.231 62 S C 1.490 176.108 174.600 0.029 0.000 0.987 62 S CA 0.736 58.969 58.200 0.056 0.000 0.936 62 S CB -0.972 62.268 63.200 0.066 0.000 0.766 62 S HN 0.149 8.459 8.310 0.000 0.000 0.528 63 L N 0.256 121.488 121.223 0.015 0.000 3.217 63 L HA 0.288 4.787 4.340 0.265 0.000 0.288 63 L C 2.063 178.867 176.870 -0.110 0.000 1.202 63 L CA -0.008 54.807 54.840 -0.042 0.000 1.027 63 L CB 0.121 42.148 42.059 -0.053 0.000 1.427 63 L HN 0.285 8.515 8.230 0.000 0.000 0.600 64 K N 0.606 120.968 120.400 -0.062 0.000 2.152 64 K HA -0.216 4.263 4.320 0.265 0.000 0.206 64 K C 2.000 178.525 176.600 -0.125 0.000 1.048 64 K CA 1.337 57.565 56.287 -0.098 0.000 0.933 64 K CB -0.161 32.385 32.500 0.077 0.000 0.721 64 K HN 0.018 8.268 8.250 0.000 0.000 0.447 65 R N 1.373 121.832 120.500 -0.068 0.000 2.152 65 R HA -0.039 4.460 4.340 0.265 0.000 0.232 65 R C 1.296 177.541 176.300 -0.090 0.000 1.117 65 R CA 1.497 57.563 56.100 -0.057 0.000 0.981 65 R CB 0.063 30.346 30.300 -0.029 0.000 0.870 65 R HN 0.369 8.639 8.270 0.000 0.000 0.451 66 R N -1.513 118.912 120.500 -0.126 0.000 2.476 66 R HA 0.345 4.845 4.340 0.265 0.000 0.276 66 R C -0.048 176.140 176.300 -0.186 0.000 0.941 66 R CA -0.165 55.860 56.100 -0.125 0.000 1.088 66 R CB 0.723 30.970 30.300 -0.088 0.000 1.216 66 R HN 0.131 8.401 8.270 0.000 0.000 0.533 67 I N 0.373 120.756 120.570 -0.312 0.000 2.648 67 I HA 0.397 4.726 4.170 0.265 0.000 0.304 67 I C -1.019 174.791 176.117 -0.511 0.000 1.009 67 I CA -0.720 60.331 61.300 -0.415 0.000 1.114 67 I CB 2.042 39.717 38.000 -0.542 0.000 1.293 67 I HN -0.042 8.168 8.210 0.000 0.000 0.449 68 S N 7.424 122.949 115.700 -0.291 0.000 2.649 68 S HA 0.567 5.197 4.470 0.265 0.000 0.274 68 S C -1.202 173.461 174.600 0.105 0.000 1.176 68 S CA -0.655 57.508 58.200 -0.061 0.000 0.988 68 S CB 0.885 64.070 63.200 -0.025 0.000 1.071 68 S HN 0.474 8.784 8.310 0.000 0.000 0.478 69 I N 4.554 125.329 120.570 0.343 0.000 2.404 69 I HA 0.510 4.839 4.170 0.265 0.000 0.293 69 I C 0.396 176.711 176.117 0.330 0.000 0.992 69 I CA -0.466 61.056 61.300 0.370 0.000 1.149 69 I CB 2.237 40.523 38.000 0.478 0.000 1.315 69 I HN 0.827 9.037 8.210 0.000 0.000 0.446 70 T N 3.304 118.085 114.554 0.379 0.000 2.864 70 T HA 0.728 5.238 4.350 0.265 0.000 0.289 70 T C -0.602 174.382 174.700 0.474 0.000 1.082 70 T CA -1.015 61.299 62.100 0.356 0.000 1.009 70 T CB 2.471 71.515 68.868 0.293 0.000 1.234 70 T HN 0.749 8.989 8.240 0.000 0.000 0.526 71 R N 0.154 120.893 120.500 0.399 0.000 2.808 71 R HA 0.650 5.149 4.340 0.265 0.000 0.272 71 R C -2.189 174.335 176.300 0.373 0.000 0.995 71 R CA -0.701 55.604 56.100 0.341 0.000 0.917 71 R CB 2.025 32.440 30.300 0.192 0.000 1.217 71 R HN 0.693 8.963 8.270 0.000 0.000 0.471 72 D N 1.776 122.366 120.400 0.316 0.000 2.421 72 D HA 0.110 4.910 4.640 0.265 0.000 0.254 72 D C 0.463 176.852 176.300 0.149 0.000 1.238 72 D CA -0.375 53.794 54.000 0.280 0.000 0.919 72 D CB 1.951 43.008 40.800 0.429 0.000 1.152 72 D HN 0.665 9.035 8.370 0.000 0.000 0.552 73 T N -0.036 114.583 114.554 0.108 0.000 3.055 73 T HA -0.060 4.449 4.350 0.265 0.000 0.265 73 T C 1.708 176.439 174.700 0.051 0.000 1.111 73 T CA 0.827 62.966 62.100 0.066 0.000 1.118 73 T CB 0.185 69.082 68.868 0.049 0.000 0.909 73 T HN 0.148 8.388 8.240 0.000 0.000 0.501 74 S N 1.287 117.025 115.700 0.064 0.000 2.383 74 S HA 0.029 4.658 4.470 0.265 0.000 0.227 74 S C 1.828 176.457 174.600 0.049 0.000 1.026 74 S CA 0.866 59.097 58.200 0.051 0.000 0.981 74 S CB -0.184 63.050 63.200 0.057 0.000 0.818 74 S HN 0.609 8.919 8.310 0.000 0.000 0.472 75 K N 0.486 120.927 120.400 0.069 0.000 2.358 75 K HA 0.237 4.717 4.320 0.265 0.000 0.197 75 K C 0.237 176.858 176.600 0.034 0.000 1.025 75 K CA 0.080 56.403 56.287 0.060 0.000 1.104 75 K CB 0.212 32.772 32.500 0.100 0.000 0.855 75 K HN 0.283 8.533 8.250 0.000 0.000 0.531 76 N N 2.449 121.169 118.700 0.034 0.000 2.727 76 N HA -0.196 4.703 4.740 0.265 0.000 0.251 76 N C -1.482 174.033 175.510 0.008 0.000 1.040 76 N CA 0.739 53.804 53.050 0.025 0.000 0.712 76 N CB -0.724 37.770 38.487 0.010 0.000 0.912 76 N HN 0.298 8.678 8.380 0.000 0.000 0.545 77 Q N 0.052 119.833 119.800 -0.032 0.000 2.397 77 Q HA 0.647 5.146 4.340 0.265 0.000 0.275 77 Q C -0.761 175.064 176.000 -0.292 0.000 1.090 77 Q CA -0.966 54.702 55.803 -0.225 0.000 0.809 77 Q CB 1.513 30.044 28.738 -0.346 0.000 1.362 77 Q HN 0.317 8.587 8.270 0.000 0.000 0.431 78 F N -0.878 118.755 119.950 -0.527 0.000 2.593 78 F HA 0.836 5.522 4.527 0.266 0.000 0.320 78 F C -1.493 174.087 175.800 -0.366 0.000 1.060 78 F CA -1.172 56.581 58.000 -0.413 0.000 0.940 78 F CB 1.036 39.997 39.000 -0.066 0.000 1.268 78 F HN 0.316 8.616 8.300 0.000 0.000 0.475 79 F N 1.885 122.113 119.950 0.463 0.000 2.577 79 F HA 0.707 5.393 4.527 0.265 0.000 0.318 79 F C -1.050 174.840 175.800 0.150 0.000 1.065 79 F CA -1.087 57.064 58.000 0.253 0.000 0.929 79 F CB 2.130 41.191 39.000 0.101 0.000 1.237 79 F HN 0.617 8.917 8.300 0.000 0.000 0.468 80 L N 2.473 123.603 121.223 -0.154 0.000 2.356 80 L HA 0.574 5.073 4.340 0.265 0.000 0.277 80 L C -0.934 175.739 176.870 -0.329 0.000 0.996 80 L CA -0.165 54.347 54.840 -0.546 0.000 0.822 80 L CB 1.691 42.828 42.059 -1.536 0.000 1.256 80 L HN 0.756 8.986 8.230 0.000 0.000 0.413 81 Q N 4.242 123.914 119.800 -0.213 0.000 2.387 81 Q HA 0.895 5.394 4.340 0.265 0.000 0.273 81 Q C -1.783 174.100 176.000 -0.195 0.000 1.089 81 Q CA -0.710 54.979 55.803 -0.190 0.000 0.824 81 Q CB 2.481 31.145 28.738 -0.124 0.000 1.367 81 Q HN 0.790 9.060 8.270 0.000 0.000 0.443 82 V N -1.397 118.504 119.914 -0.023 0.000 3.002 82 V HA 0.624 4.903 4.120 0.265 0.000 0.259 82 V C -0.938 175.160 176.094 0.007 0.000 1.748 82 V CA -0.256 62.040 62.300 -0.007 0.000 0.954 82 V CB 0.865 32.681 31.823 -0.013 0.000 1.323 82 V HN 0.994 9.184 8.190 0.000 0.000 0.458 83 T N -1.701 112.866 114.554 0.021 0.000 2.773 83 T HA 0.617 5.126 4.350 0.265 0.000 0.278 83 T C 1.283 176.009 174.700 0.044 0.000 1.011 83 T CA 0.222 62.338 62.100 0.027 0.000 1.014 83 T CB 1.388 70.269 68.868 0.022 0.000 1.293 83 T HN 2.108 10.348 8.240 0.000 0.000 0.554 84 T N -1.290 113.292 114.554 0.045 0.000 2.803 84 T HA -0.116 4.393 4.350 0.265 0.000 0.269 84 T C 1.439 176.178 174.700 0.065 0.000 1.052 84 T CA 1.658 63.794 62.100 0.060 0.000 1.136 84 T CB -0.890 68.009 68.868 0.053 0.000 0.864 84 T HN 0.763 9.003 8.240 0.000 0.000 0.467 85 E N 1.306 121.538 120.200 0.053 0.000 2.331 85 E HA -0.131 4.378 4.350 0.265 0.000 0.199 85 E C 1.313 177.954 176.600 0.069 0.000 1.008 85 E CA 1.153 57.585 56.400 0.054 0.000 0.843 85 E CB -0.118 29.607 29.700 0.042 0.000 0.761 85 E HN 0.654 9.014 8.360 0.000 0.000 0.507 86 D N 0.335 120.787 120.400 0.086 0.000 2.339 86 D HA -0.005 4.794 4.640 0.265 0.000 0.217 86 D C -0.074 176.343 176.300 0.195 0.000 1.050 86 D CA 0.304 54.386 54.000 0.136 0.000 0.856 86 D CB 0.330 41.205 40.800 0.124 0.000 0.922 86 D HN -0.026 8.344 8.370 0.000 0.000 0.518 87 T N 1.657 116.297 114.554 0.143 0.000 2.784 87 T HA 0.413 4.923 4.350 0.265 0.000 0.291 87 T C 0.230 175.012 174.700 0.137 0.000 0.942 87 T CA 0.018 62.211 62.100 0.156 0.000 1.161 87 T CB 0.932 69.875 68.868 0.125 0.000 0.885 87 T HN 0.138 8.378 8.240 0.000 0.000 0.534 88 A N 3.308 126.236 122.820 0.180 0.000 2.540 88 A HA 0.680 5.159 4.320 0.265 0.000 0.291 88 A C -0.356 177.274 177.584 0.077 0.000 1.083 88 A CA -1.021 51.038 52.037 0.038 0.000 0.650 88 A CB 0.896 19.773 19.000 -0.204 0.000 1.292 88 A HN 0.530 8.680 8.150 0.000 0.000 0.435 89 T N 1.429 115.974 114.554 -0.014 0.000 2.771 89 T HA 0.544 5.053 4.350 0.265 0.000 0.291 89 T C -1.196 173.433 174.700 -0.118 0.000 0.954 89 T CA 0.626 62.714 62.100 -0.021 0.000 1.045 89 T CB -0.195 68.642 68.868 -0.052 0.000 0.917 89 T HN 0.317 8.557 8.240 0.000 0.000 0.484 90 Y N 2.179 122.446 120.300 -0.056 0.000 2.330 90 Y HA 0.496 5.205 4.550 0.265 0.000 0.336 90 Y C -0.327 175.604 175.900 0.051 0.000 1.036 90 Y CA -0.949 57.205 58.100 0.090 0.000 1.125 90 Y CB 0.970 39.492 38.460 0.104 0.000 1.194 90 Y HN 0.577 8.857 8.280 0.000 0.000 0.469 91 Y N 1.662 122.212 120.300 0.417 0.000 2.446 91 Y HA 0.534 5.244 4.550 0.266 0.000 0.345 91 Y C 0.008 176.007 175.900 0.164 0.000 0.984 91 Y CA -1.303 56.983 58.100 0.310 0.000 1.058 91 Y CB 1.465 40.130 38.460 0.341 0.000 1.220 91 Y HN 0.737 9.017 8.280 0.000 0.000 0.455 92 c N 0.946 119.558 118.600 0.021 0.000 2.365 92 c HA 1.025 5.754 4.570 0.265 0.000 0.349 92 c C -0.146 173.823 174.090 -0.202 0.000 1.191 92 c CA -0.719 55.358 56.329 -0.419 0.000 2.114 92 c CB 0.316 42.208 42.510 -1.029 0.000 2.367 92 c HN 1.029 9.259 8.230 0.000 0.000 0.530 93 A N 2.422 125.072 122.820 -0.283 0.000 2.566 93 A HA 0.783 5.262 4.320 0.265 0.000 0.297 93 A C -0.803 176.611 177.584 -0.283 0.000 1.059 93 A CA -0.602 51.170 52.037 -0.443 0.000 0.691 93 A CB 1.102 19.414 19.000 -1.147 0.000 1.282 93 A HN 1.069 9.219 8.150 0.000 0.000 0.401 94 R N 0.940 121.303 120.500 -0.229 0.000 2.349 94 R HA 0.648 5.147 4.340 0.265 0.000 0.299 94 R C -0.076 176.129 176.300 -0.159 0.000 1.027 94 R CA 0.573 56.564 56.100 -0.182 0.000 0.958 94 R CB 0.870 31.049 30.300 -0.201 0.000 1.047 94 R HN 1.059 9.329 8.270 0.000 0.000 0.468 95 S N 2.076 117.739 115.700 -0.062 0.000 2.627 95 S HA 0.302 4.931 4.470 0.265 0.000 0.283 95 S C -1.097 173.625 174.600 0.202 0.000 1.127 95 S CA -1.173 57.043 58.200 0.026 0.000 0.863 95 S CB 1.597 64.800 63.200 0.004 0.000 1.121 95 S HN 0.564 8.874 8.310 0.000 0.000 0.479 96 D N 1.318 121.830 120.400 0.187 0.000 2.506 96 D HA 0.010 4.809 4.640 0.265 0.000 0.234 96 D C -0.721 175.632 176.300 0.089 0.000 1.143 96 D CA 0.675 54.762 54.000 0.145 0.000 0.871 96 D CB 0.050 40.881 40.800 0.051 0.000 1.190 96 D HN 0.589 8.959 8.370 0.000 0.000 0.459 97 Y N 2.486 122.727 120.300 -0.098 0.000 2.636 97 Y HA 0.378 5.087 4.550 0.265 0.000 0.341 97 Y C 0.951 176.791 175.900 -0.100 0.000 1.169 97 Y CA 0.379 58.387 58.100 -0.154 0.000 1.498 97 Y CB -0.274 38.118 38.460 -0.114 0.000 1.362 97 Y HN 0.654 8.934 8.280 0.000 0.000 0.494 98 G N 5.014 113.663 108.800 -0.252 0.000 2.498 98 G HA2 -0.430 3.689 3.960 0.265 0.000 0.251 98 G HA3 -0.430 3.689 3.960 0.265 0.000 0.251 98 G C 0.831 175.654 174.900 -0.129 0.000 1.170 98 G CA 0.828 45.783 45.100 -0.242 0.000 0.944 98 G HN 1.221 9.511 8.290 0.000 0.000 0.567 99 N N -1.353 117.276 118.700 -0.118 0.000 2.377 99 N HA -0.219 4.681 4.740 0.265 0.000 0.152 99 N C 1.265 176.740 175.510 -0.058 0.000 0.187 99 N CA 3.516 56.520 53.050 -0.076 0.000 2.138 99 N CB -1.271 37.179 38.487 -0.062 0.000 0.886 99 N HN 2.152 10.533 8.380 0.000 0.000 0.936 100 G N -0.435 108.419 108.800 0.090 0.000 2.522 100 G HA2 0.465 4.585 3.960 0.265 0.000 0.318 100 G HA3 0.465 4.585 3.960 0.265 0.000 0.318 100 G C -0.102 174.877 174.900 0.132 0.000 1.192 100 G CA 0.133 45.252 45.100 0.031 0.000 0.988 100 G HN 0.506 8.796 8.290 0.000 0.000 0.480 101 D N 0.663 121.053 120.400 -0.016 0.000 2.327 101 D HA 0.040 4.839 4.640 0.265 0.000 0.205 101 D C -0.216 175.878 176.300 -0.343 0.000 0.989 101 D CA 0.505 54.413 54.000 -0.153 0.000 0.873 101 D CB 0.125 40.783 40.800 -0.238 0.000 0.955 101 D HN 0.382 8.752 8.370 0.000 0.000 0.515 102 Y N -1.191 119.121 120.300 0.020 0.000 2.457 102 Y HA 0.464 5.173 4.550 0.265 0.000 0.343 102 Y C -1.095 174.863 175.900 0.096 0.000 0.994 102 Y CA -1.215 56.936 58.100 0.085 0.000 1.031 102 Y CB 1.583 40.006 38.460 -0.061 0.000 1.246 102 Y HN -0.237 8.043 8.280 0.000 0.000 0.449 103 W N 1.134 122.505 121.300 0.118 0.000 2.819 103 W HA 0.683 5.502 4.660 0.265 0.000 0.337 103 W C 0.343 176.939 176.519 0.128 0.000 1.077 103 W CA -1.345 56.059 57.345 0.099 0.000 1.226 103 W CB 1.564 31.050 29.460 0.044 0.000 1.419 103 W HN 0.712 8.892 8.180 0.000 0.000 0.502 104 G N 0.825 109.825 108.800 0.334 0.000 2.667 104 G HA2 0.189 4.308 3.960 0.265 0.000 0.250 104 G HA3 0.189 4.308 3.960 0.265 0.000 0.250 104 G C 0.649 175.772 174.900 0.372 0.000 1.212 104 G CA -0.309 44.949 45.100 0.263 0.000 0.874 104 G HN 0.684 8.974 8.290 0.000 0.000 0.561 105 Q N -0.521 119.413 119.800 0.223 0.000 2.378 105 Q HA 0.332 4.831 4.340 0.265 0.000 0.205 105 Q C 0.988 177.059 176.000 0.118 0.000 0.954 105 Q CA 0.530 56.452 55.803 0.197 0.000 0.901 105 Q CB 0.031 28.829 28.738 0.101 0.000 0.981 105 Q HN 1.530 9.800 8.270 0.000 0.000 0.483 106 G N -0.153 108.614 108.800 -0.054 0.000 2.907 106 G HA2 -0.108 4.012 3.960 0.265 0.000 0.686 106 G HA3 -0.108 4.012 3.960 0.265 0.000 0.686 106 G C -0.943 173.839 174.900 -0.197 0.000 1.115 106 G CA -0.249 44.551 45.100 -0.499 0.000 0.760 106 G HN 0.189 8.479 8.290 0.000 0.000 0.620 107 T N 0.154 114.631 114.554 -0.128 0.000 2.861 107 T HA 0.704 5.213 4.350 0.265 0.000 0.287 107 T C 0.372 175.083 174.700 0.019 0.000 1.003 107 T CA 0.506 62.589 62.100 -0.028 0.000 0.977 107 T CB 1.447 70.325 68.868 0.016 0.000 0.996 107 T HN 1.771 10.011 8.240 0.000 0.000 0.448 108 S N 3.663 119.366 115.700 0.005 0.000 2.465 108 S HA 0.595 5.224 4.470 0.265 0.000 0.279 108 S C -0.541 174.084 174.600 0.041 0.000 1.201 108 S CA -0.502 57.719 58.200 0.036 0.000 1.053 108 S CB 0.062 63.258 63.200 -0.007 0.000 0.953 108 S HN 0.545 8.855 8.310 0.000 0.000 0.488 109 V N 5.234 125.218 119.914 0.117 0.000 2.495 109 V HA 0.496 4.775 4.120 0.265 0.000 0.298 109 V C 0.103 176.246 176.094 0.082 0.000 1.031 109 V CA -0.667 61.659 62.300 0.044 0.000 0.871 109 V CB 1.950 33.720 31.823 -0.088 0.000 0.988 109 V HN 0.939 9.129 8.190 0.000 0.000 0.432 110 T N 4.046 118.621 114.554 0.034 0.000 2.807 110 T HA 0.529 5.038 4.350 0.265 0.000 0.279 110 T C -0.418 174.333 174.700 0.086 0.000 0.993 110 T CA -0.362 61.780 62.100 0.070 0.000 0.970 110 T CB 1.628 70.513 68.868 0.028 0.000 0.950 110 T HN 0.344 8.584 8.240 0.000 0.000 0.441 111 V N 3.322 123.303 119.914 0.112 0.000 2.311 111 V HA 0.707 4.986 4.120 0.265 0.000 0.275 111 V C 0.040 176.210 176.094 0.127 0.000 1.022 111 V CA -0.303 62.054 62.300 0.097 0.000 0.830 111 V CB 0.933 32.799 31.823 0.071 0.000 1.012 111 V HN 0.914 9.104 8.190 0.000 0.000 0.452 112 S N 2.504 118.295 115.700 0.151 0.000 2.565 112 S HA 0.392 5.021 4.470 0.265 0.000 0.269 112 S C 0.759 175.420 174.600 0.102 0.000 1.153 112 S CA 0.159 58.446 58.200 0.145 0.000 0.835 112 S CB 2.216 65.575 63.200 0.265 0.000 1.122 112 S HN 0.860 9.170 8.310 0.000 0.000 0.462 113 S N 1.824 117.542 115.700 0.030 0.000 2.593 113 S HA 0.424 5.053 4.470 0.265 0.000 0.217 113 S C 0.855 175.440 174.600 -0.025 0.000 0.966 113 S CA 0.278 58.483 58.200 0.009 0.000 0.914 113 S CB -0.267 62.926 63.200 -0.012 0.000 0.776 113 S HN 1.100 9.410 8.310 0.000 0.000 0.523 114 A N 1.663 124.422 122.820 -0.103 0.000 2.466 114 A HA 0.483 4.962 4.320 0.265 0.000 0.238 114 A C 0.174 177.707 177.584 -0.084 0.000 1.074 114 A CA -0.187 51.683 52.037 -0.279 0.000 0.774 114 A CB 0.070 18.537 19.000 -0.889 0.000 1.015 114 A HN 0.382 8.532 8.150 0.000 0.000 0.498 115 K N 0.538 120.896 120.400 -0.070 0.000 2.144 115 K HA 0.384 4.864 4.320 0.265 0.000 0.270 115 K C 0.490 177.224 176.600 0.223 0.000 1.005 115 K CA 0.090 56.420 56.287 0.072 0.000 0.932 115 K CB 1.077 33.596 32.500 0.033 0.000 1.021 115 K HN 0.653 8.903 8.250 0.000 0.000 0.462 116 T N 1.875 116.579 114.554 0.250 0.000 2.769 116 T HA 0.193 4.702 4.350 0.265 0.000 0.293 116 T C -0.604 174.251 174.700 0.259 0.000 0.931 116 T CA -0.103 62.182 62.100 0.309 0.000 1.139 116 T CB -0.283 68.705 68.868 0.200 0.000 0.881 116 T HN 0.484 8.724 8.240 0.000 0.000 0.532 117 T N 9.083 123.833 114.554 0.327 0.000 2.824 117 T HA 0.548 5.057 4.350 0.265 0.000 0.282 117 T C -2.640 172.187 174.700 0.213 0.000 0.993 117 T CA -1.186 61.051 62.100 0.227 0.000 0.967 117 T CB 1.890 70.866 68.868 0.179 0.000 0.960 117 T HN 0.485 8.725 8.240 0.000 0.000 0.441 118 P HA 0.347 4.767 4.420 0.000 0.000 0.274 118 P C -2.807 174.472 177.300 -0.036 0.000 1.237 118 P CA -1.748 61.386 63.100 0.057 0.000 0.793 118 P CB -0.207 31.537 31.700 0.073 0.000 0.977 119 P HA 0.191 4.611 4.420 0.000 0.000 0.281 119 P C -0.512 176.719 177.300 -0.116 0.000 1.249 119 P CA -0.288 62.751 63.100 -0.101 0.000 0.810 119 P CB 0.593 32.127 31.700 -0.278 0.000 1.008 120 S N 0.460 116.083 115.700 -0.128 0.000 2.525 120 S HA 0.379 5.008 4.470 0.265 0.000 0.278 120 S C -0.043 174.260 174.600 -0.495 0.000 1.234 120 S CA -0.523 57.484 58.200 -0.321 0.000 1.058 120 S CB 0.459 63.461 63.200 -0.330 0.000 0.983 120 S HN 0.193 8.503 8.310 0.000 0.000 0.495 121 V N 4.497 124.079 119.914 -0.554 0.000 2.378 121 V HA 0.425 4.704 4.120 0.265 0.000 0.288 121 V C -1.389 174.440 176.094 -0.441 0.000 1.016 121 V CA -0.686 61.367 62.300 -0.412 0.000 0.840 121 V CB 0.485 32.172 31.823 -0.227 0.000 0.994 121 V HN 0.772 8.962 8.190 0.000 0.000 0.431 122 Y N 5.956 126.270 120.300 0.025 0.000 2.393 122 Y HA 0.594 5.297 4.550 0.254 0.000 0.341 122 Y C -2.213 173.720 175.900 0.054 0.000 0.988 122 Y CA -3.203 54.920 58.100 0.038 0.000 1.078 122 Y CB 2.003 40.489 38.460 0.042 0.000 1.203 122 Y HN 0.415 8.695 8.280 0.000 0.000 0.453 123 P HA 0.264 4.684 4.420 0.000 0.000 0.278 123 P C -0.982 176.419 177.300 0.169 0.000 1.238 123 P CA -0.216 62.993 63.100 0.183 0.000 0.794 123 P CB 1.395 33.196 31.700 0.168 0.000 0.955 124 L N 2.025 123.341 121.223 0.154 0.000 2.337 124 L HA 0.642 5.141 4.340 0.265 0.000 0.269 124 L C 0.265 177.165 176.870 0.051 0.000 1.018 124 L CA -0.602 54.298 54.840 0.101 0.000 0.876 124 L CB 1.214 43.330 42.059 0.096 0.000 1.236 124 L HN 0.363 8.593 8.230 0.000 0.000 0.436 125 A N 3.744 126.605 122.820 0.068 0.000 2.355 125 A HA 0.940 5.419 4.320 0.265 0.000 0.324 125 A C -2.432 175.197 177.584 0.076 0.000 1.117 125 A CA -1.417 50.660 52.037 0.067 0.000 0.785 125 A CB 0.727 19.856 19.000 0.216 0.000 1.254 125 A HN 0.448 8.598 8.150 0.000 0.000 0.453 126 P HA 0.312 4.732 4.420 0.000 0.000 0.267 126 P C 0.641 178.000 177.300 0.098 0.000 1.200 126 P CA 0.254 63.400 63.100 0.077 0.000 0.772 126 P CB 0.432 32.190 31.700 0.096 0.000 0.855 127 G N 0.369 109.208 108.800 0.065 0.000 2.664 127 G HA2 0.091 4.210 3.960 0.265 0.000 0.242 127 G HA3 0.091 4.210 3.960 0.265 0.000 0.242 127 G C 1.368 176.306 174.900 0.063 0.000 1.225 127 G CA -0.240 44.894 45.100 0.057 0.000 0.849 127 G HN 0.805 9.095 8.290 0.000 0.000 0.581 128 C N -0.290 119.040 119.300 0.051 0.000 2.432 128 C HA 0.068 4.687 4.460 0.265 0.000 0.277 128 C C 2.746 177.760 174.990 0.039 0.000 1.249 128 C CA 1.097 60.142 59.018 0.046 0.000 1.725 128 C CB -1.166 26.594 27.740 0.033 0.000 2.028 128 C HN 0.747 8.977 8.230 0.000 0.000 0.477 129 G N 0.526 109.345 108.800 0.031 0.000 2.848 129 G HA2 0.130 4.249 3.960 0.265 0.000 0.208 129 G HA3 0.130 4.249 3.960 0.265 0.000 0.208 129 G C 0.264 175.182 174.900 0.029 0.000 1.152 129 G CA 0.611 45.726 45.100 0.026 0.000 0.789 129 G HN 0.625 8.915 8.290 0.000 0.000 0.531 134 T N 0.822 115.406 114.554 0.049 0.000 2.849 134 T HA 0.966 5.476 4.350 0.265 0.000 0.272 134 T C 0.847 175.568 174.700 0.036 0.000 1.046 134 T CA -0.010 62.117 62.100 0.043 0.000 0.983 134 T CB 1.328 70.230 68.868 0.056 0.000 1.721 134 T HN 1.281 9.521 8.240 0.000 0.000 0.594 135 G N -0.579 108.240 108.800 0.032 0.000 3.366 135 G HA2 0.398 4.517 3.960 0.265 0.000 0.179 135 G HA3 0.398 4.517 3.960 0.265 0.000 0.179 135 G C 1.087 176.003 174.900 0.028 0.000 1.143 135 G CA 0.492 45.608 45.100 0.026 0.000 0.810 135 G HN 0.669 8.959 8.290 0.000 0.000 0.697 136 S N -0.556 115.156 115.700 0.020 0.000 2.368 136 S HA 0.055 4.684 4.470 0.265 0.000 0.225 136 S C 1.217 175.828 174.600 0.019 0.000 1.030 136 S CA 1.907 60.117 58.200 0.017 0.000 0.999 136 S CB -0.463 62.743 63.200 0.011 0.000 0.844 136 S HN 1.168 9.478 8.310 0.000 0.000 0.459 137 S N -1.164 114.544 115.700 0.013 0.000 2.685 137 S HA 0.765 5.395 4.470 0.265 0.000 0.282 137 S C -1.199 173.400 174.600 -0.002 0.000 1.159 137 S CA -0.843 57.361 58.200 0.006 0.000 0.833 137 S CB 2.041 65.233 63.200 -0.013 0.000 1.151 137 S HN 0.036 8.346 8.310 0.000 0.000 0.485 138 V N 1.092 120.988 119.914 -0.030 0.000 2.638 138 V HA 0.601 4.880 4.120 0.265 0.000 0.306 138 V C -0.601 175.393 176.094 -0.167 0.000 1.052 138 V CA -0.475 61.783 62.300 -0.070 0.000 0.885 138 V CB 1.984 33.785 31.823 -0.035 0.000 0.999 138 V HN 1.039 9.229 8.190 0.000 0.000 0.424 139 T N 3.386 117.840 114.554 -0.167 0.000 2.767 139 T HA 0.559 5.068 4.350 0.265 0.000 0.284 139 T C -0.054 174.486 174.700 -0.267 0.000 0.973 139 T CA -0.221 61.761 62.100 -0.198 0.000 0.996 139 T CB 1.299 70.105 68.868 -0.103 0.000 0.927 139 T HN 0.650 8.890 8.240 0.000 0.000 0.456 140 S N 1.202 116.686 115.700 -0.360 0.000 2.648 140 S HA 0.944 5.573 4.470 0.265 0.000 0.305 140 S C 0.196 174.665 174.600 -0.218 0.000 1.094 140 S CA -0.766 57.223 58.200 -0.352 0.000 0.983 140 S CB 1.957 64.836 63.200 -0.536 0.000 1.101 140 S HN 0.985 9.295 8.310 0.000 0.000 0.514 141 G N -0.394 108.410 108.800 0.005 0.000 2.687 141 G HA2 0.578 4.697 3.960 0.265 0.000 0.291 141 G HA3 0.578 4.697 3.960 0.265 0.000 0.291 141 G C -1.656 173.494 174.900 0.416 0.000 1.420 141 G CA -0.376 44.872 45.100 0.246 0.000 0.796 141 G HN 0.805 9.095 8.290 0.000 0.000 0.485 142 c N -0.516 118.346 118.600 0.437 0.000 2.563 142 c HA 0.728 5.457 4.570 0.265 0.000 0.314 142 c C -0.565 173.641 174.090 0.193 0.000 1.199 142 c CA -0.582 55.887 56.329 0.234 0.000 1.564 142 c CB 1.031 43.574 42.510 0.054 0.000 2.173 142 c HN 0.723 8.953 8.230 0.000 0.000 0.485 143 L N 3.578 124.904 121.223 0.173 0.000 2.280 143 L HA 0.662 5.162 4.340 0.265 0.000 0.287 143 L C -0.624 176.320 176.870 0.123 0.000 1.023 143 L CA 0.117 55.066 54.840 0.181 0.000 0.819 143 L CB 1.202 43.407 42.059 0.243 0.000 1.212 143 L HN 0.533 8.763 8.230 0.000 0.000 0.420 144 V N 5.999 125.978 119.914 0.108 0.000 2.304 144 V HA 0.436 4.715 4.120 0.265 0.000 0.269 144 V C 0.062 176.280 176.094 0.208 0.000 1.036 144 V CA -0.581 61.753 62.300 0.057 0.000 0.840 144 V CB 0.795 32.598 31.823 -0.033 0.000 1.036 144 V HN 0.736 8.926 8.190 0.000 0.000 0.466 145 K N 3.176 123.682 120.400 0.176 0.000 2.318 145 K HA 0.653 5.132 4.320 0.265 0.000 0.249 145 K C 0.633 177.356 176.600 0.204 0.000 0.942 145 K CA 0.086 56.505 56.287 0.221 0.000 0.808 145 K CB 1.833 34.474 32.500 0.234 0.000 1.189 145 K HN 0.836 9.086 8.250 0.000 0.000 0.428 146 G N 2.925 111.814 108.800 0.147 0.000 2.256 146 G HA2 -0.261 3.858 3.960 0.265 0.000 0.272 146 G HA3 -0.261 3.858 3.960 0.265 0.000 0.272 146 G C -0.826 174.151 174.900 0.128 0.000 1.076 146 G CA 0.877 46.030 45.100 0.089 0.000 0.882 146 G HN 0.646 8.936 8.290 0.000 0.000 0.497 147 Y N -2.235 118.105 120.300 0.067 0.000 2.621 147 Y HA 0.901 5.611 4.550 0.268 0.000 0.334 147 Y C -0.543 175.532 175.900 0.290 0.000 1.074 147 Y CA -3.194 54.919 58.100 0.023 0.000 1.149 147 Y CB 1.520 39.809 38.460 -0.285 0.000 1.302 147 Y HN 0.465 8.745 8.280 0.000 0.000 0.501 148 F N 2.389 122.482 119.950 0.239 0.000 2.672 148 F HA 0.572 5.258 4.527 0.264 0.000 0.311 148 F C -2.953 173.092 175.800 0.409 0.000 1.113 148 F CA -2.045 56.138 58.000 0.306 0.000 0.996 148 F CB 2.183 41.286 39.000 0.171 0.000 1.286 148 F HN 0.452 8.752 8.300 0.000 0.000 0.441 149 P HA 0.194 4.614 4.420 0.000 0.000 0.293 149 P C -0.968 176.275 177.300 -0.095 0.000 1.304 149 P CA -0.215 62.458 63.100 -0.711 0.000 0.767 149 P CB 0.803 32.078 31.700 -0.709 0.000 1.247 150 E N -0.594 119.374 120.200 -0.387 0.000 2.390 150 E HA 0.242 4.752 4.350 0.265 0.000 0.261 150 E C -0.264 176.271 176.600 -0.109 0.000 1.076 150 E CA 0.094 56.359 56.400 -0.226 0.000 0.905 150 E CB 0.354 29.750 29.700 -0.505 0.000 0.984 150 E HN 0.298 8.658 8.360 0.000 0.000 0.427 151 S N 0.693 116.361 115.700 -0.053 0.000 2.759 151 S HA 0.647 5.276 4.470 0.265 0.000 0.310 151 S C -1.145 173.453 174.600 -0.003 0.000 1.123 151 S CA -0.822 57.365 58.200 -0.023 0.000 0.959 151 S CB 1.847 65.014 63.200 -0.053 0.000 1.172 151 S HN 0.307 8.617 8.310 0.000 0.000 0.539 152 V N 1.240 121.110 119.914 -0.074 0.000 2.841 152 V HA 0.568 4.847 4.120 0.265 0.000 0.310 152 V C -0.833 175.197 176.094 -0.106 0.000 1.090 152 V CA -0.543 61.664 62.300 -0.154 0.000 0.930 152 V CB 2.379 33.957 31.823 -0.408 0.000 1.014 152 V HN 0.964 9.154 8.190 0.000 0.000 0.425 153 T N 3.665 118.156 114.554 -0.106 0.000 2.807 153 T HA 0.721 5.231 4.350 0.265 0.000 0.279 153 T C -0.316 174.310 174.700 -0.123 0.000 0.993 153 T CA -0.370 61.677 62.100 -0.089 0.000 0.970 153 T CB 1.678 70.502 68.868 -0.073 0.000 0.950 153 T HN 0.369 8.609 8.240 0.000 0.000 0.441 163 S N -0.467 115.311 115.700 0.131 0.000 3.552 163 S HA 0.479 5.108 4.470 0.265 0.000 0.251 163 S C 1.044 175.700 174.600 0.093 0.000 1.119 163 S CA 0.736 59.009 58.200 0.122 0.000 0.830 163 S CB 1.585 64.840 63.200 0.092 0.000 0.946 163 S HN 0.904 9.214 8.310 0.000 0.000 0.470 164 G N 1.626 110.466 108.800 0.067 0.000 3.134 164 G HA2 -0.021 4.098 3.960 0.265 0.000 0.195 164 G HA3 -0.021 4.098 3.960 0.265 0.000 0.195 164 G C 0.048 174.970 174.900 0.036 0.000 1.054 164 G CA 0.115 45.246 45.100 0.052 0.000 0.828 164 G HN 1.476 9.766 8.290 0.000 0.000 0.462 165 S N 0.781 116.499 115.700 0.031 0.000 2.437 165 S HA 0.699 5.329 4.470 0.265 0.000 0.305 165 S C 0.773 175.376 174.600 0.004 0.000 1.109 165 S CA -0.663 57.547 58.200 0.017 0.000 1.099 165 S CB 1.722 64.931 63.200 0.015 0.000 1.004 165 S HN 0.386 8.696 8.310 0.000 0.000 0.475 166 L N 2.837 124.061 121.223 0.002 0.000 2.693 166 L HA 0.084 4.584 4.340 0.265 0.000 0.242 166 L C 1.035 177.894 176.870 -0.019 0.000 1.157 166 L CA -0.086 54.751 54.840 -0.006 0.000 0.929 166 L CB -0.586 41.471 42.059 -0.002 0.000 1.103 166 L HN 0.873 9.103 8.230 0.000 0.000 0.430 167 S N -1.813 113.874 115.700 -0.023 0.000 2.577 167 S HA 0.160 4.789 4.470 0.265 0.000 0.239 167 S C 0.499 175.065 174.600 -0.058 0.000 1.236 167 S CA -0.696 57.483 58.200 -0.034 0.000 1.233 167 S CB -0.082 63.103 63.200 -0.024 0.000 0.908 167 S HN 0.292 8.602 8.310 0.000 0.000 0.493 168 S N 1.279 116.937 115.700 -0.071 0.000 2.420 168 S HA 0.606 5.235 4.470 0.265 0.000 0.313 168 S C 0.244 174.755 174.600 -0.148 0.000 1.079 168 S CA -0.585 57.544 58.200 -0.118 0.000 1.104 168 S CB 0.797 63.929 63.200 -0.113 0.000 0.969 168 S HN 0.506 8.816 8.310 0.000 0.000 0.471 172 H N 1.633 120.606 119.070 -0.162 0.000 2.529 172 H HA 0.638 5.353 4.556 0.264 0.000 0.348 172 H C -0.759 174.342 175.328 -0.378 0.000 1.079 172 H CA -0.381 55.467 56.048 -0.333 0.000 1.198 172 H CB 2.416 31.888 29.762 -0.483 0.000 1.521 172 H HN 0.605 8.885 8.280 0.000 0.000 0.514 173 T N 4.828 119.222 114.554 -0.266 0.000 2.809 173 T HA 0.310 4.819 4.350 0.265 0.000 0.296 173 T C -0.080 174.473 174.700 -0.245 0.000 1.015 173 T CA -0.559 61.453 62.100 -0.146 0.000 0.954 173 T CB -0.122 68.736 68.868 -0.017 0.000 0.950 173 T HN 0.183 8.423 8.240 0.000 0.000 0.450 174 F N 3.915 123.933 119.950 0.113 0.000 2.404 174 F HA 0.419 5.101 4.527 0.258 0.000 0.345 174 F C -1.796 174.057 175.800 0.088 0.000 1.110 174 F CA -2.614 55.438 58.000 0.087 0.000 1.130 174 F CB 0.251 39.298 39.000 0.078 0.000 1.129 174 F HN 0.312 8.612 8.300 0.000 0.000 0.500 175 P HA 0.161 4.581 4.420 0.000 0.000 0.268 175 P C -0.673 176.744 177.300 0.195 0.000 1.205 175 P CA -0.320 62.880 63.100 0.166 0.000 0.771 175 P CB 0.538 32.316 31.700 0.130 0.000 0.858 176 A N 3.220 126.152 122.820 0.187 0.000 2.425 176 A HA 0.444 4.923 4.320 0.265 0.000 0.242 176 A C -0.251 177.485 177.584 0.253 0.000 1.077 176 A CA 0.050 52.230 52.037 0.239 0.000 0.781 176 A CB -0.323 18.827 19.000 0.249 0.000 1.020 176 A HN 0.534 8.684 8.150 0.000 0.000 0.494 177 L N 0.810 122.180 121.223 0.244 0.000 2.354 177 L HA 0.420 4.919 4.340 0.265 0.000 0.264 177 L C -0.641 176.272 176.870 0.071 0.000 1.008 177 L CA -0.634 54.307 54.840 0.168 0.000 0.819 177 L CB 1.922 44.037 42.059 0.093 0.000 1.339 177 L HN 0.590 8.820 8.230 0.000 0.000 0.420 178 L N 2.405 123.587 121.223 -0.068 0.000 2.283 178 L HA 0.252 4.751 4.340 0.265 0.000 0.287 178 L C 0.094 176.871 176.870 -0.155 0.000 1.073 178 L CA 0.182 54.853 54.840 -0.281 0.000 0.822 178 L CB 0.779 42.651 42.059 -0.313 0.000 1.186 178 L HN 0.582 8.812 8.230 0.000 0.000 0.436 179 Q N 4.523 124.235 119.800 -0.146 0.000 2.569 179 Q HA 0.266 4.766 4.340 0.265 0.000 0.226 179 Q C 0.045 175.984 176.000 -0.102 0.000 1.136 179 Q CA -0.164 55.587 55.803 -0.087 0.000 0.947 179 Q CB 0.595 29.307 28.738 -0.044 0.000 1.218 179 Q HN 0.868 9.138 8.270 0.000 0.000 0.547 184 L N 0.661 121.733 121.223 -0.251 0.000 2.333 184 L HA 0.670 5.169 4.340 0.265 0.000 0.263 184 L C -0.856 175.826 176.870 -0.313 0.000 1.014 184 L CA -1.461 53.252 54.840 -0.211 0.000 0.820 184 L CB 1.986 43.984 42.059 -0.100 0.000 1.352 184 L HN 0.043 8.273 8.230 0.000 0.000 0.421 185 Y N -0.165 119.951 120.300 -0.307 0.000 2.310 185 Y HA 0.468 5.176 4.550 0.264 0.000 0.326 185 Y C 0.195 175.845 175.900 -0.417 0.000 1.151 185 Y CA -0.250 57.550 58.100 -0.500 0.000 1.195 185 Y CB 1.904 39.778 38.460 -0.977 0.000 1.210 185 Y HN 0.347 8.627 8.280 0.000 0.000 0.483 186 T N 4.900 119.494 114.554 0.065 0.000 2.921 186 T HA 0.621 5.130 4.350 0.265 0.000 0.297 186 T C -0.651 174.202 174.700 0.256 0.000 1.013 186 T CA -0.797 61.415 62.100 0.187 0.000 0.990 186 T CB 0.936 69.875 68.868 0.118 0.000 1.023 186 T HN 0.609 8.849 8.240 0.000 0.000 0.447 187 M N 0.901 120.690 119.600 0.314 0.000 2.846 187 M HA 0.944 5.584 4.480 0.265 0.000 0.282 187 M C -0.826 175.609 176.300 0.225 0.000 1.266 187 M CA -0.727 54.732 55.300 0.264 0.000 0.766 187 M CB 1.920 34.690 32.600 0.283 0.000 1.739 187 M HN 0.509 8.799 8.290 0.000 0.000 0.442 188 S N -0.674 115.185 115.700 0.264 0.000 2.587 188 S HA 0.845 5.474 4.470 0.265 0.000 0.269 188 S C -1.231 173.635 174.600 0.444 0.000 1.154 188 S CA -0.268 58.102 58.200 0.283 0.000 0.824 188 S CB 1.240 64.555 63.200 0.192 0.000 1.118 188 S HN 1.416 9.726 8.310 0.000 0.000 0.462 189 S N 0.510 116.476 115.700 0.444 0.000 2.541 189 S HA 0.823 5.452 4.470 0.265 0.000 0.271 189 S C -0.942 173.972 174.600 0.522 0.000 1.133 189 S CA 0.011 58.515 58.200 0.506 0.000 0.876 189 S CB 1.461 64.942 63.200 0.469 0.000 1.105 189 S HN 1.882 10.192 8.310 0.000 0.000 0.470 190 S N 2.139 118.061 115.700 0.370 0.000 2.566 190 S HA 0.882 5.511 4.470 0.265 0.000 0.298 190 S C -1.028 173.395 174.600 -0.295 0.000 1.083 190 S CA -0.700 57.562 58.200 0.104 0.000 0.978 190 S CB 1.541 64.885 63.200 0.239 0.000 1.073 190 S HN 1.339 9.649 8.310 0.000 0.000 0.491 191 V N 1.407 120.960 119.914 -0.602 0.000 2.808 191 V HA 0.724 5.003 4.120 0.265 0.000 0.308 191 V C -1.191 174.624 176.094 -0.465 0.000 1.099 191 V CA -0.140 61.716 62.300 -0.741 0.000 0.920 191 V CB 2.288 33.257 31.823 -1.423 0.000 1.014 191 V HN 1.142 9.332 8.190 0.000 0.000 0.425 192 T N 6.055 120.415 114.554 -0.323 0.000 2.786 192 T HA 0.685 5.194 4.350 0.265 0.000 0.283 192 T C -0.537 174.053 174.700 -0.183 0.000 0.992 192 T CA -0.299 61.671 62.100 -0.216 0.000 0.954 192 T CB 1.263 70.054 68.868 -0.128 0.000 0.934 192 T HN 1.111 9.351 8.240 0.000 0.000 0.440 193 V N 1.634 121.454 119.914 -0.157 0.000 3.001 193 V HA 0.820 5.099 4.120 0.265 0.000 0.314 193 V C -3.049 173.025 176.094 -0.034 0.000 1.099 193 V CA -3.409 58.838 62.300 -0.089 0.000 0.989 193 V CB 1.669 33.447 31.823 -0.075 0.000 1.040 193 V HN 0.462 8.652 8.190 0.000 0.000 0.434 194 P HA 0.177 4.597 4.420 0.000 0.000 0.269 194 P C 0.990 178.326 177.300 0.061 0.000 1.209 194 P CA 0.408 63.520 63.100 0.022 0.000 0.776 194 P CB 0.835 32.549 31.700 0.023 0.000 0.876 195 S N 0.538 116.277 115.700 0.064 0.000 2.442 195 S HA -0.078 4.551 4.470 0.265 0.000 0.236 195 S C 0.944 175.607 174.600 0.105 0.000 1.007 195 S CA 0.754 59.016 58.200 0.105 0.000 0.965 195 S CB -0.971 62.277 63.200 0.080 0.000 0.773 195 S HN 0.594 8.904 8.310 0.000 0.000 0.504 199 W N 3.236 124.538 121.300 0.003 0.000 2.957 199 W HA 0.703 5.430 4.660 0.112 0.000 0.336 199 W C -2.954 173.570 176.519 0.009 0.000 1.087 199 W CA -1.614 55.736 57.345 0.008 0.000 1.235 199 W CB 2.071 31.534 29.460 0.005 0.000 1.399 199 W HN -0.052 8.128 8.180 0.000 0.000 0.480 203 E N 3.196 123.411 120.200 0.026 0.000 2.200 203 E HA 0.407 4.916 4.350 0.265 0.000 0.283 203 E C -0.260 176.421 176.600 0.136 0.000 1.015 203 E CA -0.065 56.378 56.400 0.072 0.000 0.819 203 E CB 1.520 31.274 29.700 0.091 0.000 1.081 203 E HN 0.526 8.886 8.360 0.000 0.000 0.397 204 T N -0.380 114.241 114.554 0.112 0.000 2.933 204 T HA 0.105 4.614 4.350 0.265 0.000 0.306 204 T C 0.072 174.916 174.700 0.239 0.000 1.045 204 T CA -0.583 61.612 62.100 0.160 0.000 1.143 204 T CB 0.301 69.232 68.868 0.105 0.000 1.003 204 T HN 0.109 8.349 8.240 0.000 0.000 0.540 205 V N 3.814 123.927 119.914 0.331 0.000 2.531 205 V HA 0.721 5.000 4.120 0.265 0.000 0.301 205 V C 0.425 176.692 176.094 0.289 0.000 1.034 205 V CA -0.638 61.844 62.300 0.304 0.000 0.865 205 V CB 1.702 33.683 31.823 0.263 0.000 0.995 205 V HN 1.284 9.474 8.190 0.000 0.000 0.424 209 S N 1.486 116.924 115.700 -0.437 0.000 2.498 209 S HA 0.741 5.370 4.470 0.265 0.000 0.317 209 S C -0.487 173.953 174.600 -0.267 0.000 1.090 209 S CA -0.505 57.536 58.200 -0.265 0.000 1.089 209 S CB 1.508 64.598 63.200 -0.183 0.000 0.997 209 S HN 0.941 9.251 8.310 0.000 0.000 0.470 210 V N 3.006 122.794 119.914 -0.211 0.000 2.350 210 V HA 0.688 4.967 4.120 0.265 0.000 0.285 210 V C 0.110 176.120 176.094 -0.140 0.000 1.014 210 V CA -0.693 61.491 62.300 -0.194 0.000 0.831 210 V CB 1.067 32.765 31.823 -0.208 0.000 1.000 210 V HN 0.948 9.138 8.190 0.000 0.000 0.433 211 A N 3.497 126.245 122.820 -0.120 0.000 2.305 211 A HA 0.685 5.164 4.320 0.265 0.000 0.322 211 A C -0.375 177.184 177.584 -0.042 0.000 1.187 211 A CA -0.431 51.559 52.037 -0.077 0.000 0.825 211 A CB 0.508 19.462 19.000 -0.076 0.000 1.164 211 A HN 0.963 9.113 8.150 0.000 0.000 0.498 212 H N 4.379 123.364 119.070 -0.141 0.000 2.854 212 H HA 0.291 5.006 4.556 0.265 0.000 0.275 212 H C -2.378 172.897 175.328 -0.088 0.000 1.198 212 H CA -1.809 54.152 56.048 -0.144 0.000 1.489 212 H CB 1.788 31.454 29.762 -0.160 0.000 1.519 212 H HN 0.393 8.673 8.280 0.000 0.000 0.503 213 P HA -0.088 4.332 4.420 0.000 0.000 0.218 213 P C 1.425 178.543 177.300 -0.304 0.000 1.149 213 P CA 1.449 64.409 63.100 -0.234 0.000 0.817 213 P CB 0.236 31.834 31.700 -0.170 0.000 0.785 214 A N -0.266 122.244 122.820 -0.517 0.000 1.940 214 A HA -0.203 4.277 4.320 0.265 0.000 0.219 214 A C 2.394 179.833 177.584 -0.243 0.000 1.176 214 A CA 2.409 54.218 52.037 -0.380 0.000 0.631 214 A CB -1.480 17.269 19.000 -0.419 0.000 0.814 214 A HN 0.293 8.443 8.150 0.000 0.000 0.446 215 S N -0.245 115.280 115.700 -0.292 0.000 2.556 215 S HA 0.120 4.749 4.470 0.265 0.000 0.216 215 S C 0.762 175.351 174.600 -0.018 0.000 0.970 215 S CA 1.040 59.234 58.200 -0.010 0.000 0.912 215 S CB -0.828 62.529 63.200 0.263 0.000 0.790 215 S HN 1.604 9.914 8.310 0.000 0.000 0.504 216 S N 0.979 116.629 115.700 -0.082 0.000 3.410 216 S HA -0.164 4.465 4.470 0.265 0.000 0.369 216 S C 0.125 174.713 174.600 -0.020 0.000 0.961 216 S CA 0.798 58.965 58.200 -0.055 0.000 1.248 216 S CB -3.078 60.094 63.200 -0.046 0.000 0.914 216 S HN 0.900 9.210 8.310 0.000 0.000 0.497 217 T N -1.576 112.979 114.554 0.001 0.000 2.912 217 T HA 0.786 5.295 4.350 0.265 0.000 0.288 217 T C -0.375 174.318 174.700 -0.013 0.000 1.030 217 T CA -0.666 61.439 62.100 0.008 0.000 1.020 217 T CB 2.176 71.066 68.868 0.037 0.000 1.056 217 T HN 0.353 8.593 8.240 0.000 0.000 0.480 218 T N 1.577 116.114 114.554 -0.029 0.000 2.991 218 T HA 0.612 5.121 4.350 0.265 0.000 0.303 218 T C -0.507 174.159 174.700 -0.056 0.000 1.015 218 T CA -0.748 61.322 62.100 -0.050 0.000 1.007 218 T CB 1.355 70.193 68.868 -0.051 0.000 1.034 218 T HN 1.023 9.263 8.240 0.000 0.000 0.446 219 V N 0.171 120.038 119.914 -0.079 0.000 2.769 219 V HA 0.881 5.160 4.120 0.265 0.000 0.312 219 V C -1.482 174.553 176.094 -0.098 0.000 1.061 219 V CA -0.870 61.382 62.300 -0.080 0.000 0.931 219 V CB 2.395 34.164 31.823 -0.090 0.000 1.010 219 V HN 0.701 8.891 8.190 0.000 0.000 0.433 220 D N 2.889 123.243 120.400 -0.077 0.000 2.481 220 D HA 0.478 5.277 4.640 0.265 0.000 0.246 220 D C -0.728 175.540 176.300 -0.054 0.000 1.109 220 D CA -0.318 53.635 54.000 -0.079 0.000 0.845 220 D CB 1.954 42.723 40.800 -0.053 0.000 1.160 220 D HN 0.483 8.853 8.370 0.000 0.000 0.534 221 K N 1.677 122.039 120.400 -0.064 0.000 2.240 221 K HA 0.268 4.747 4.320 0.265 0.000 0.271 221 K C 0.062 176.683 176.600 0.036 0.000 1.018 221 K CA -0.572 55.709 56.287 -0.009 0.000 0.874 221 K CB 2.314 34.812 32.500 -0.004 0.000 1.098 221 K HN 0.276 8.526 8.250 0.000 0.000 0.458 222 K N 3.664 124.107 120.400 0.071 0.000 2.249 222 K HA 0.260 4.739 4.320 0.265 0.000 0.280 222 K C -0.111 176.593 176.600 0.174 0.000 1.033 222 K CA -0.358 56.002 56.287 0.122 0.000 0.946 222 K CB 0.632 33.194 32.500 0.103 0.000 1.005 222 K HN 0.414 8.665 8.250 0.000 0.000 0.469 227 P HA 0.000 4.420 4.420 0.000 0.000 0.216 227 P CA 0.000 63.136 63.100 0.060 0.000 0.800 227 P CB 0.000 31.537 31.700 -0.271 0.000 0.726