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 2fvu_1_A DATA FIRST_RESID -2 DATA SEQUENCE HMTMAKTLKD LDGWQVIITD XXXXXXXXXX XXXXXXXXXX NVFLKRISDG DATA SEQUENCE LSFGKGESVI FNDNVTETYS VYLIHEIRLX XXXXXVEIWV FSYLRWFELK DATA SEQUENCE PKLYYEQFRP DLIKEDHPLE FYKDKFFNEV NKSELYLTAE LSEIWLKDFI DATA SEQUENCE AVGQILPESQ WNDSSIDKIE DRDFLVRYAC EPTAEKFVPI DIFQIIRRVK DATA SEQUENCE EMEPKQSDEY LKRVSV 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 -2 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 -2 H C 0.000 175.325 175.328 -0.006 0.000 0.993 -2 H CA 0.000 56.038 56.048 -0.016 0.000 1.023 -2 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 -1 M N 0.489 119.978 119.600 -0.186 0.000 1.921 -1 M HA 0.374 4.854 4.480 0.001 0.000 0.243 -1 M C 1.062 177.160 176.300 -0.337 0.000 1.280 -1 M CA 0.652 55.828 55.300 -0.206 0.000 0.988 -1 M CB 0.680 33.241 32.600 -0.064 0.000 1.336 -1 M HN 0.826 9.116 8.290 -0.000 0.000 0.496 0 T N -3.634 110.822 114.554 -0.162 0.000 3.098 0 T HA 0.404 4.755 4.350 0.001 0.000 0.256 0 T C 0.135 174.812 174.700 -0.038 0.000 0.921 0 T CA -0.406 61.628 62.100 -0.110 0.000 0.916 0 T CB 0.476 69.288 68.868 -0.094 0.000 1.246 0 T HN 0.632 8.872 8.240 -0.000 0.000 0.511 1 M N 1.131 120.715 119.600 -0.026 0.000 2.484 1 M HA 0.701 5.182 4.480 0.001 0.000 0.289 1 M C -2.293 174.009 176.300 0.004 0.000 1.206 1 M CA -0.818 54.480 55.300 -0.004 0.000 0.892 1 M CB 2.336 34.937 32.600 0.001 0.000 1.712 1 M HN 0.219 8.509 8.290 -0.000 0.000 0.462 2 A N 4.115 126.940 122.820 0.008 0.000 2.741 2 A HA 0.558 4.878 4.320 0.001 0.000 0.298 2 A C -1.618 175.973 177.584 0.012 0.000 1.153 2 A CA -0.767 51.277 52.037 0.010 0.000 0.816 2 A CB 0.724 19.727 19.000 0.005 0.000 1.396 2 A HN 0.604 8.754 8.150 -0.000 0.000 0.407 3 K N 0.866 121.276 120.400 0.017 0.000 2.203 3 K HA 0.674 4.994 4.320 0.001 0.000 0.251 3 K C -0.077 176.538 176.600 0.026 0.000 0.944 3 K CA -0.349 55.949 56.287 0.019 0.000 0.829 3 K CB 1.874 34.386 32.500 0.020 0.000 1.125 3 K HN 0.559 8.809 8.250 -0.000 0.000 0.430 4 T N 1.790 116.360 114.554 0.026 0.000 2.904 4 T HA 0.322 4.672 4.350 0.001 0.000 0.290 4 T C 0.511 175.240 174.700 0.048 0.000 1.018 4 T CA -0.560 61.562 62.100 0.036 0.000 1.075 4 T CB 0.502 69.385 68.868 0.026 0.000 0.986 4 T HN 0.219 8.459 8.240 -0.000 0.000 0.523 5 L N 3.529 124.794 121.223 0.071 0.000 2.325 5 L HA 0.230 4.571 4.340 0.001 0.000 0.284 5 L C 1.645 178.557 176.870 0.070 0.000 1.089 5 L CA -0.353 54.530 54.840 0.072 0.000 0.836 5 L CB 0.654 42.765 42.059 0.087 0.000 1.184 5 L HN 0.725 8.955 8.230 -0.000 0.000 0.444 6 K N 1.819 122.255 120.400 0.060 0.000 2.032 6 K HA -0.183 4.138 4.320 0.001 0.000 0.209 6 K C 0.768 177.413 176.600 0.075 0.000 1.048 6 K CA 1.859 58.181 56.287 0.059 0.000 0.927 6 K CB 0.092 32.623 32.500 0.050 0.000 0.712 6 K HN 0.642 8.892 8.250 -0.000 0.000 0.441 7 D N 0.043 120.499 120.400 0.093 0.000 2.271 7 D HA 0.022 4.663 4.640 0.001 0.000 0.206 7 D C 0.275 176.658 176.300 0.137 0.000 0.967 7 D CA 0.667 54.746 54.000 0.132 0.000 0.867 7 D CB 0.257 41.159 40.800 0.169 0.000 0.960 7 D HN 0.028 8.398 8.370 -0.000 0.000 0.509 8 L N 1.164 122.443 121.223 0.093 0.000 2.719 8 L HA 0.215 4.555 4.340 0.001 0.000 0.236 8 L C 0.715 177.663 176.870 0.130 0.000 1.221 8 L CA -0.448 54.424 54.840 0.053 0.000 1.048 8 L CB 0.920 42.948 42.059 -0.051 0.000 1.364 8 L HN -0.189 8.041 8.230 -0.000 0.000 0.447 9 D N 2.610 123.073 120.400 0.105 0.000 2.421 9 D HA -0.256 4.385 4.640 0.001 0.000 0.195 9 D C 2.022 178.373 176.300 0.085 0.000 1.022 9 D CA 2.302 56.353 54.000 0.085 0.000 0.871 9 D CB 0.137 40.974 40.800 0.062 0.000 1.026 9 D HN 0.504 8.874 8.370 -0.000 0.000 0.462 10 G N -1.696 107.151 108.800 0.079 0.000 2.601 10 G HA2 -0.103 3.858 3.960 0.001 0.000 0.214 10 G HA3 -0.103 3.858 3.960 0.001 0.000 0.214 10 G C -0.016 174.775 174.900 -0.183 0.000 1.132 10 G CA 0.507 45.572 45.100 -0.057 0.000 0.761 10 G HN 0.242 8.532 8.290 -0.000 0.000 0.550 11 W N -1.708 119.544 121.300 -0.080 0.000 2.804 11 W HA 0.727 5.388 4.660 0.001 0.000 0.352 11 W C 0.217 176.689 176.519 -0.077 0.000 1.153 11 W CA -0.895 56.391 57.345 -0.098 0.000 1.119 11 W CB 1.245 30.628 29.460 -0.128 0.000 1.448 11 W HN -0.146 8.034 8.180 -0.000 0.000 0.600 12 Q N 0.279 120.192 119.800 0.189 0.000 2.416 12 Q HA 0.631 4.971 4.340 0.001 0.000 0.281 12 Q C -1.778 174.269 176.000 0.080 0.000 1.067 12 Q CA -0.719 55.137 55.803 0.088 0.000 0.809 12 Q CB 2.709 31.462 28.738 0.025 0.000 1.418 12 Q HN 0.306 8.576 8.270 -0.000 0.000 0.411 13 V N 3.867 123.810 119.914 0.049 0.000 2.483 13 V HA 0.550 4.670 4.120 0.001 0.000 0.295 13 V C -0.319 175.802 176.094 0.045 0.000 1.035 13 V CA -0.461 61.861 62.300 0.037 0.000 0.896 13 V CB 1.513 33.349 31.823 0.021 0.000 0.986 13 V HN 0.637 8.827 8.190 -0.000 0.000 0.447 14 I N 5.148 125.765 120.570 0.079 0.000 2.569 14 I HA 0.573 4.744 4.170 0.001 0.000 0.296 14 I C -0.804 175.404 176.117 0.152 0.000 1.028 14 I CA -0.592 60.767 61.300 0.099 0.000 1.082 14 I CB 2.241 40.299 38.000 0.097 0.000 1.264 14 I HN 0.392 8.602 8.210 -0.000 0.000 0.429 15 I N 4.026 124.654 120.570 0.097 0.000 2.533 15 I HA 0.408 4.579 4.170 0.001 0.000 0.290 15 I C -0.241 175.909 176.117 0.054 0.000 1.056 15 I CA -0.343 61.011 61.300 0.091 0.000 1.057 15 I CB 2.390 40.407 38.000 0.027 0.000 1.240 15 I HN 0.625 8.835 8.210 -0.000 0.000 0.423 16 T N 0.425 115.038 114.554 0.098 0.000 2.907 16 T HA 0.731 5.081 4.350 0.001 0.000 0.290 16 T C -0.966 173.737 174.700 0.005 0.000 1.066 16 T CA -0.655 61.453 62.100 0.013 0.000 1.012 16 T CB 2.811 71.701 68.868 0.037 0.000 1.184 16 T HN 0.454 8.694 8.240 -0.000 0.000 0.522 39 V N 1.656 121.361 119.914 -0.348 0.000 2.581 39 V HA 0.721 4.841 4.120 0.001 0.000 0.303 39 V C -0.985 174.746 176.094 -0.605 0.000 1.041 39 V CA -0.338 61.809 62.300 -0.255 0.000 0.907 39 V CB 0.907 32.632 31.823 -0.165 0.000 0.994 39 V HN 0.574 8.764 8.190 -0.000 0.000 0.442 40 F N 2.742 122.658 119.950 -0.057 0.000 2.626 40 F HA 0.685 5.212 4.527 0.001 0.000 0.311 40 F C -0.455 175.246 175.800 -0.165 0.000 1.088 40 F CA -0.774 57.163 58.000 -0.104 0.000 0.949 40 F CB 1.784 40.740 39.000 -0.073 0.000 1.322 40 F HN 0.153 8.453 8.300 -0.000 0.000 0.461 41 L N 1.918 123.055 121.223 -0.143 0.000 2.346 41 L HA 0.608 4.949 4.340 0.001 0.000 0.276 41 L C -0.733 176.090 176.870 -0.079 0.000 1.006 41 L CA -0.714 54.012 54.840 -0.190 0.000 0.817 41 L CB 2.206 43.960 42.059 -0.508 0.000 1.272 41 L HN 0.545 8.775 8.230 -0.000 0.000 0.421 42 K N 3.204 123.660 120.400 0.094 0.000 2.443 42 K HA 0.387 4.707 4.320 0.001 0.000 0.252 42 K C -0.908 175.585 176.600 -0.178 0.000 0.933 42 K CA -0.815 55.461 56.287 -0.018 0.000 0.792 42 K CB 2.016 34.483 32.500 -0.055 0.000 1.185 42 K HN 0.506 8.756 8.250 -0.000 0.000 0.425 43 R N 5.904 126.016 120.500 -0.646 0.000 2.267 43 R HA 0.105 4.445 4.340 0.001 0.000 0.319 43 R C 0.988 176.956 176.300 -0.553 0.000 1.067 43 R CA -0.484 54.915 56.100 -1.168 0.000 0.936 43 R CB 0.429 29.844 30.300 -1.476 0.000 1.006 43 R HN 0.643 8.913 8.270 -0.000 0.000 0.452 44 I N 3.348 123.658 120.570 -0.433 0.000 2.208 44 I HA -0.299 3.872 4.170 0.001 0.000 0.245 44 I C 2.368 178.357 176.117 -0.213 0.000 1.097 44 I CA 1.683 62.837 61.300 -0.244 0.000 1.363 44 I CB -1.739 36.158 38.000 -0.173 0.000 1.051 44 I HN 0.761 8.971 8.210 -0.000 0.000 0.413 45 S N 2.345 117.897 115.700 -0.246 0.000 2.359 45 S HA -0.226 4.245 4.470 0.001 0.000 0.223 45 S C 1.337 175.851 174.600 -0.144 0.000 1.039 45 S CA 1.799 59.895 58.200 -0.174 0.000 1.042 45 S CB -0.661 62.436 63.200 -0.171 0.000 0.915 45 S HN 0.619 8.929 8.310 -0.000 0.000 0.439 46 D N -0.968 119.330 120.400 -0.169 0.000 2.469 46 D HA 0.339 4.979 4.640 0.001 0.000 0.213 46 D C 1.281 177.515 176.300 -0.110 0.000 1.135 46 D CA 0.418 54.349 54.000 -0.115 0.000 0.834 46 D CB -0.339 40.408 40.800 -0.088 0.000 1.009 46 D HN 0.720 9.090 8.370 -0.000 0.000 0.507 47 G N 0.981 109.691 108.800 -0.150 0.000 2.148 47 G HA2 -0.300 3.661 3.960 0.001 0.000 0.254 47 G HA3 -0.300 3.661 3.960 0.001 0.000 0.254 47 G C 0.048 174.884 174.900 -0.106 0.000 0.981 47 G CA 0.239 45.266 45.100 -0.123 0.000 0.670 47 G HN 0.544 8.834 8.290 -0.000 0.000 0.528 48 L N 1.617 122.760 121.223 -0.132 0.000 2.453 48 L HA 0.578 4.918 4.340 0.001 0.000 0.272 48 L C 0.665 177.514 176.870 -0.034 0.000 1.182 48 L CA 0.527 55.338 54.840 -0.047 0.000 0.858 48 L CB 0.856 42.901 42.059 -0.024 0.000 1.120 48 L HN 0.682 8.912 8.230 -0.000 0.000 0.474 49 S N 4.315 120.062 115.700 0.078 0.000 2.588 49 S HA 0.860 5.330 4.470 0.001 0.000 0.275 49 S C -0.865 173.896 174.600 0.269 0.000 1.130 49 S CA -0.700 57.547 58.200 0.078 0.000 0.855 49 S CB 2.012 65.213 63.200 0.001 0.000 1.116 49 S HN 0.739 9.049 8.310 -0.000 0.000 0.472 50 F N -1.429 118.682 119.950 0.268 0.000 2.741 50 F HA 0.948 5.475 4.527 0.001 0.000 0.311 50 F C -0.210 175.794 175.800 0.340 0.000 1.149 50 F CA -0.282 57.901 58.000 0.305 0.000 0.930 50 F CB 0.890 40.046 39.000 0.261 0.000 1.312 50 F HN 1.008 9.308 8.300 -0.000 0.000 0.450 51 G N 0.487 109.601 108.800 0.524 0.000 3.058 51 G HA2 0.528 4.488 3.960 0.001 0.000 0.282 51 G HA3 0.528 4.488 3.960 0.001 0.000 0.282 51 G C -1.691 173.306 174.900 0.161 0.000 1.248 51 G CA -0.992 44.164 45.100 0.094 0.000 0.822 51 G HN 0.967 9.257 8.290 -0.000 0.000 0.579 52 K N -1.150 119.225 120.400 -0.041 0.000 2.319 52 K HA 0.481 4.802 4.320 0.001 0.000 0.265 52 K C 1.001 177.662 176.600 0.102 0.000 1.000 52 K CA 0.570 56.873 56.287 0.027 0.000 0.943 52 K CB 0.938 33.396 32.500 -0.070 0.000 0.950 52 K HN 1.830 10.080 8.250 -0.000 0.000 0.485 53 G N 0.180 109.065 108.800 0.140 0.000 2.199 53 G HA2 -0.225 3.735 3.960 0.001 0.000 0.254 53 G HA3 -0.225 3.735 3.960 0.001 0.000 0.254 53 G C -0.371 174.639 174.900 0.184 0.000 0.982 53 G CA 0.105 45.303 45.100 0.164 0.000 0.632 53 G HN 0.672 8.962 8.290 -0.000 0.000 0.529 54 E N 0.789 121.110 120.200 0.202 0.000 2.266 54 E HA 0.535 4.885 4.350 0.001 0.000 0.277 54 E C -0.385 176.328 176.600 0.188 0.000 1.018 54 E CA -0.170 56.355 56.400 0.209 0.000 0.840 54 E CB 1.506 31.358 29.700 0.255 0.000 1.082 54 E HN 0.153 8.513 8.360 -0.000 0.000 0.395 55 S N 1.326 117.138 115.700 0.186 0.000 2.429 55 S HA 0.384 4.855 4.470 0.001 0.000 0.302 55 S C -0.002 174.679 174.600 0.136 0.000 1.115 55 S CA -0.760 57.564 58.200 0.207 0.000 1.095 55 S CB 0.873 64.183 63.200 0.183 0.000 0.987 55 S HN 0.381 8.691 8.310 -0.000 0.000 0.474 56 V N 1.524 121.526 119.914 0.147 0.000 2.960 56 V HA 0.713 4.833 4.120 0.001 0.000 0.315 56 V C -0.723 175.513 176.094 0.237 0.000 1.087 56 V CA -1.075 61.318 62.300 0.155 0.000 0.982 56 V CB 1.422 33.339 31.823 0.157 0.000 1.039 56 V HN 0.738 8.928 8.190 -0.000 0.000 0.437 57 I N 3.155 123.816 120.570 0.152 0.000 2.330 57 I HA 0.564 4.735 4.170 0.001 0.000 0.289 57 I C -1.031 175.185 176.117 0.164 0.000 1.001 57 I CA 0.057 61.422 61.300 0.108 0.000 1.193 57 I CB 1.166 39.075 38.000 -0.151 0.000 1.345 57 I HN 0.477 8.687 8.210 -0.000 0.000 0.461 58 F N 3.741 123.748 119.950 0.095 0.000 2.546 58 F HA 0.357 4.885 4.527 0.001 0.000 0.320 58 F C 0.383 176.294 175.800 0.185 0.000 1.076 58 F CA -1.221 56.849 58.000 0.117 0.000 0.928 58 F CB 1.509 40.635 39.000 0.211 0.000 1.189 58 F HN 0.390 8.690 8.300 -0.000 0.000 0.465 59 N N 1.393 120.238 118.700 0.242 0.000 2.497 59 N HA 0.124 4.865 4.740 0.001 0.000 0.268 59 N C -1.398 174.274 175.510 0.270 0.000 1.171 59 N CA 0.162 53.347 53.050 0.225 0.000 0.948 59 N CB 0.570 39.141 38.487 0.140 0.000 1.069 59 N HN 0.595 8.975 8.380 -0.000 0.000 0.460 60 D N 1.809 122.346 120.400 0.228 0.000 2.481 60 D HA 0.316 4.957 4.640 0.001 0.000 0.246 60 D C 0.141 176.517 176.300 0.126 0.000 1.109 60 D CA -0.570 53.547 54.000 0.194 0.000 0.845 60 D CB 0.600 41.512 40.800 0.186 0.000 1.160 60 D HN 0.466 8.836 8.370 -0.000 0.000 0.534 61 N N 2.568 121.334 118.700 0.111 0.000 2.409 61 N HA -0.068 4.672 4.740 0.001 0.000 0.179 61 N C 1.528 177.064 175.510 0.044 0.000 1.032 61 N CA 0.382 53.477 53.050 0.074 0.000 0.898 61 N CB 0.443 38.974 38.487 0.074 0.000 0.971 61 N HN 0.303 8.683 8.380 -0.000 0.000 0.441 62 V N 1.141 121.083 119.914 0.046 0.000 2.214 62 V HA -0.174 3.946 4.120 0.001 0.000 0.245 62 V C 1.574 177.664 176.094 -0.006 0.000 1.047 62 V CA 1.867 64.180 62.300 0.022 0.000 0.998 62 V CB -1.030 30.813 31.823 0.032 0.000 0.633 62 V HN 0.445 8.635 8.190 -0.000 0.000 0.446 63 T N -0.817 113.729 114.554 -0.013 0.000 2.899 63 T HA 0.135 4.486 4.350 0.001 0.000 0.295 63 T C 0.299 174.958 174.700 -0.068 0.000 1.033 63 T CA -0.357 61.687 62.100 -0.093 0.000 1.084 63 T CB 1.041 69.828 68.868 -0.134 0.000 0.979 63 T HN 0.501 8.741 8.240 -0.000 0.000 0.532 64 E N 1.321 121.460 120.200 -0.102 0.000 2.545 64 E HA 0.205 4.555 4.350 0.001 0.000 0.271 64 E C -0.026 176.547 176.600 -0.044 0.000 1.508 64 E CA -0.300 56.071 56.400 -0.048 0.000 1.774 64 E CB -0.282 29.391 29.700 -0.045 0.000 1.460 64 E HN 0.736 9.096 8.360 -0.000 0.000 0.449 65 T N -0.621 113.909 114.554 -0.039 0.000 2.665 65 T HA 0.264 4.615 4.350 0.001 0.000 0.303 65 T C -1.533 173.200 174.700 0.056 0.000 1.334 65 T CA -0.766 61.320 62.100 -0.023 0.000 1.011 65 T CB 0.339 69.102 68.868 -0.174 0.000 1.573 65 T HN 0.264 8.504 8.240 -0.000 0.000 0.492 66 Y N 0.206 120.582 120.300 0.128 0.000 2.326 66 Y HA 0.843 5.394 4.550 0.001 0.000 0.324 66 Y C -0.075 175.902 175.900 0.129 0.000 1.291 66 Y CA -0.816 57.365 58.100 0.134 0.000 1.348 66 Y CB 0.543 39.075 38.460 0.120 0.000 1.294 66 Y HN 0.367 8.647 8.280 -0.000 0.000 0.525 67 S N 0.759 116.665 115.700 0.344 0.000 2.536 67 S HA 0.724 5.195 4.470 0.001 0.000 0.298 67 S C -1.183 173.423 174.600 0.010 0.000 1.083 67 S CA -0.823 57.416 58.200 0.065 0.000 0.995 67 S CB 1.804 64.983 63.200 -0.035 0.000 1.058 67 S HN 0.586 8.896 8.310 -0.000 0.000 0.488 68 V N 2.684 122.430 119.914 -0.280 0.000 2.581 68 V HA 0.633 4.754 4.120 0.001 0.000 0.303 68 V C -1.489 174.411 176.094 -0.324 0.000 1.041 68 V CA -0.585 61.573 62.300 -0.236 0.000 0.907 68 V CB 1.071 32.606 31.823 -0.480 0.000 0.994 68 V HN 0.881 9.071 8.190 -0.000 0.000 0.442 69 Y N 2.672 123.095 120.300 0.205 0.000 2.562 69 Y HA 0.649 5.200 4.550 0.001 0.000 0.345 69 Y C -0.596 175.412 175.900 0.181 0.000 1.045 69 Y CA -0.979 57.207 58.100 0.143 0.000 1.028 69 Y CB 2.004 40.414 38.460 -0.084 0.000 1.297 69 Y HN 0.514 8.794 8.280 -0.000 0.000 0.463 70 L N 3.979 125.325 121.223 0.205 0.000 2.262 70 L HA 0.548 4.888 4.340 0.001 0.000 0.288 70 L C -0.777 176.201 176.870 0.180 0.000 1.035 70 L CA -0.396 54.563 54.840 0.199 0.000 0.820 70 L CB 0.065 42.167 42.059 0.071 0.000 1.204 70 L HN 0.512 8.742 8.230 -0.000 0.000 0.424 71 I N 5.414 126.074 120.570 0.150 0.000 2.598 71 I HA -0.031 4.140 4.170 0.001 0.000 0.284 71 I C 1.280 177.469 176.117 0.120 0.000 1.140 71 I CA 0.267 61.624 61.300 0.094 0.000 1.420 71 I CB 0.376 38.455 38.000 0.131 0.000 1.387 71 I HN 0.781 8.991 8.210 -0.000 0.000 0.553 72 H N 6.371 125.377 119.070 -0.107 0.000 2.439 72 H HA 0.236 4.792 4.556 0.001 0.000 0.299 72 H C 0.178 175.474 175.328 -0.054 0.000 1.033 72 H CA 0.402 56.365 56.048 -0.140 0.000 1.348 72 H CB 1.079 30.496 29.762 -0.575 0.000 1.449 72 H HN 0.756 9.036 8.280 -0.000 0.000 0.544 73 E N 0.553 120.695 120.200 -0.097 0.000 2.381 73 E HA 0.243 4.593 4.350 0.001 0.000 0.286 73 E C -1.777 174.831 176.600 0.013 0.000 0.960 73 E CA -0.524 55.799 56.400 -0.128 0.000 0.793 73 E CB 1.823 31.378 29.700 -0.242 0.000 1.225 73 E HN 0.210 8.570 8.360 -0.000 0.000 0.420 74 I N 4.418 124.966 120.570 -0.037 0.000 2.306 74 I HA 0.388 4.558 4.170 0.001 0.000 0.288 74 I C 0.130 176.249 176.117 0.004 0.000 1.036 74 I CA -0.586 60.708 61.300 -0.010 0.000 1.221 74 I CB 0.944 38.899 38.000 -0.074 0.000 1.385 74 I HN 0.329 8.539 8.210 -0.000 0.000 0.472 75 R N 6.258 126.807 120.500 0.082 0.000 2.404 75 R HA 0.719 5.060 4.340 0.001 0.000 0.291 75 R C -0.642 175.688 176.300 0.050 0.000 1.025 75 R CA -0.601 55.539 56.100 0.067 0.000 0.991 75 R CB 1.688 32.067 30.300 0.132 0.000 1.053 75 R HN 0.517 8.787 8.270 -0.000 0.000 0.479 84 E N 2.413 122.644 120.200 0.051 0.000 2.182 84 E HA 0.589 4.939 4.350 0.001 0.000 0.258 84 E C -1.111 175.457 176.600 -0.054 0.000 0.879 84 E CA -0.606 55.797 56.400 0.005 0.000 0.754 84 E CB 2.531 32.372 29.700 0.235 0.000 1.162 84 E HN 0.695 9.055 8.360 -0.000 0.000 0.419 85 I N 2.993 123.430 120.570 -0.222 0.000 2.281 85 I HA 0.200 4.371 4.170 0.001 0.000 0.293 85 I C -0.561 175.308 176.117 -0.414 0.000 1.085 85 I CA -0.491 60.688 61.300 -0.201 0.000 1.257 85 I CB 0.136 38.035 38.000 -0.168 0.000 1.430 85 I HN 0.370 8.580 8.210 -0.000 0.000 0.489 86 W N 7.007 128.226 121.300 -0.134 0.000 2.338 86 W HA 0.539 5.200 4.660 0.001 0.000 0.307 86 W C -0.035 176.349 176.519 -0.224 0.000 1.167 86 W CA -0.429 56.817 57.345 -0.166 0.000 1.208 86 W CB 1.342 30.736 29.460 -0.110 0.000 1.228 86 W HN 0.237 8.417 8.180 -0.000 0.000 0.499 87 V N 0.577 120.406 119.914 -0.140 0.000 3.159 87 V HA 0.635 4.756 4.120 0.001 0.000 0.308 87 V C -1.189 174.766 176.094 -0.233 0.000 1.190 87 V CA -1.905 60.264 62.300 -0.217 0.000 1.037 87 V CB 1.730 33.427 31.823 -0.210 0.000 1.060 87 V HN 0.333 8.523 8.190 -0.000 0.000 0.437 88 F N 0.775 120.746 119.950 0.034 0.000 2.399 88 F HA 0.709 5.236 4.527 0.001 0.000 0.334 88 F C 0.941 176.733 175.800 -0.015 0.000 1.097 88 F CA -0.281 57.694 58.000 -0.042 0.000 1.076 88 F CB 2.040 40.945 39.000 -0.159 0.000 1.162 88 F HN 0.567 8.867 8.300 -0.000 0.000 0.495 89 S N 1.592 117.403 115.700 0.185 0.000 2.585 89 S HA 0.435 4.905 4.470 0.001 0.000 0.277 89 S C -1.071 173.470 174.600 -0.098 0.000 1.241 89 S CA -0.498 57.735 58.200 0.056 0.000 1.041 89 S CB 0.586 63.835 63.200 0.083 0.000 0.987 89 S HN 0.371 8.681 8.310 -0.000 0.000 0.512 90 Y N 1.377 121.587 120.300 -0.151 0.000 2.361 90 Y HA 0.475 5.025 4.550 0.001 0.000 0.332 90 Y C 0.209 176.028 175.900 -0.135 0.000 1.101 90 Y CA -0.868 57.159 58.100 -0.120 0.000 1.137 90 Y CB 0.820 39.161 38.460 -0.198 0.000 1.207 90 Y HN 0.378 8.658 8.280 -0.000 0.000 0.463 91 L N 3.920 125.237 121.223 0.156 0.000 2.334 91 L HA 0.539 4.880 4.340 0.001 0.000 0.277 91 L C 0.035 176.933 176.870 0.046 0.000 1.075 91 L CA -0.742 54.127 54.840 0.048 0.000 0.804 91 L CB 1.157 43.268 42.059 0.087 0.000 1.174 91 L HN 0.591 8.821 8.230 -0.000 0.000 0.438 92 R N 1.594 121.923 120.500 -0.285 0.000 2.596 92 R HA 0.149 4.490 4.340 0.001 0.000 0.267 92 R C 1.054 177.104 176.300 -0.417 0.000 1.026 92 R CA -0.594 55.264 56.100 -0.404 0.000 1.087 92 R CB 1.170 30.946 30.300 -0.873 0.000 1.132 92 R HN 0.768 9.038 8.270 -0.000 0.000 0.531 93 W N 2.521 123.721 121.300 -0.167 0.000 2.290 93 W HA -0.303 4.358 4.660 0.001 0.000 0.318 93 W C 1.147 177.694 176.519 0.046 0.000 1.248 93 W CA 1.430 58.785 57.345 0.016 0.000 1.263 93 W CB -1.042 28.403 29.460 -0.025 0.000 1.147 93 W HN 0.653 8.833 8.180 -0.000 0.000 0.494 94 F N 1.295 120.631 119.950 -1.024 0.000 2.583 94 F HA 0.090 4.618 4.527 0.001 0.000 0.297 94 F C 1.658 177.237 175.800 -0.367 0.000 1.131 94 F CA 1.183 58.623 58.000 -0.933 0.000 1.467 94 F CB -1.380 36.785 39.000 -1.391 0.000 1.097 94 F HN -0.021 8.279 8.300 -0.000 0.000 0.586 95 E N 0.762 120.716 120.200 -0.410 0.000 2.479 95 E HA 0.205 4.555 4.350 0.001 0.000 0.193 95 E C 0.725 177.238 176.600 -0.145 0.000 1.049 95 E CA -0.154 56.133 56.400 -0.190 0.000 0.870 95 E CB 0.247 29.787 29.700 -0.266 0.000 0.944 95 E HN 0.419 8.779 8.360 -0.000 0.000 0.492 96 L N 0.807 121.936 121.223 -0.158 0.000 2.469 96 L HA 0.300 4.641 4.340 0.001 0.000 0.253 96 L C 0.220 176.946 176.870 -0.240 0.000 1.143 96 L CA -0.497 54.222 54.840 -0.202 0.000 0.804 96 L CB 0.760 42.634 42.059 -0.308 0.000 1.214 96 L HN -0.185 8.045 8.230 -0.000 0.000 0.476 97 K N 1.404 121.660 120.400 -0.240 0.000 2.404 97 K HA 0.249 4.569 4.320 0.001 0.000 0.257 97 K C -1.948 174.449 176.600 -0.338 0.000 1.026 97 K CA -1.524 54.636 56.287 -0.212 0.000 0.951 97 K CB 1.522 33.950 32.500 -0.120 0.000 1.203 97 K HN 0.180 8.430 8.250 -0.000 0.000 0.446 98 P HA -0.291 4.129 4.420 -0.000 0.000 0.217 98 P C 1.031 178.177 177.300 -0.257 0.000 1.158 98 P CA 1.344 64.045 63.100 -0.664 0.000 0.887 98 P CB 0.321 31.843 31.700 -0.296 0.000 0.792 99 K N -0.384 119.955 120.400 -0.102 0.000 2.097 99 K HA -0.091 4.230 4.320 0.001 0.000 0.205 99 K C 1.930 178.455 176.600 -0.126 0.000 1.050 99 K CA 1.058 57.241 56.287 -0.175 0.000 0.938 99 K CB -0.479 31.888 32.500 -0.222 0.000 0.718 99 K HN 0.098 8.348 8.250 -0.000 0.000 0.442 100 L N -0.137 121.033 121.223 -0.088 0.000 2.217 100 L HA -0.131 4.210 4.340 0.001 0.000 0.211 100 L C 2.288 179.168 176.870 0.017 0.000 1.107 100 L CA 0.727 55.537 54.840 -0.049 0.000 0.783 100 L CB -0.449 41.581 42.059 -0.048 0.000 0.919 100 L HN 0.251 8.481 8.230 -0.000 0.000 0.442 101 Y N 0.031 120.245 120.300 -0.143 0.000 2.133 101 Y HA -0.273 4.278 4.550 0.001 0.000 0.287 101 Y C 2.404 178.258 175.900 -0.078 0.000 1.134 101 Y CA 1.561 59.570 58.100 -0.151 0.000 1.133 101 Y CB -0.435 37.762 38.460 -0.438 0.000 0.987 101 Y HN 0.004 8.284 8.280 -0.000 0.000 0.502 102 Y N 0.523 120.936 120.300 0.189 0.000 2.352 102 Y HA -0.177 4.374 4.550 0.001 0.000 0.292 102 Y C 2.301 178.178 175.900 -0.039 0.000 1.136 102 Y CA 1.052 59.221 58.100 0.116 0.000 1.227 102 Y CB -0.097 38.462 38.460 0.166 0.000 0.991 102 Y HN 0.250 8.530 8.280 -0.000 0.000 0.545 103 E N 0.021 120.237 120.200 0.026 0.000 2.204 103 E HA -0.254 4.096 4.350 0.001 0.000 0.194 103 E C 1.992 178.520 176.600 -0.121 0.000 0.989 103 E CA 1.012 57.386 56.400 -0.044 0.000 0.824 103 E CB -0.025 29.630 29.700 -0.075 0.000 0.756 103 E HN 0.575 8.935 8.360 -0.000 0.000 0.477 104 Q N -0.314 119.319 119.800 -0.278 0.000 2.165 104 Q HA -0.038 4.302 4.340 0.001 0.000 0.197 104 Q C 1.484 177.152 176.000 -0.554 0.000 0.952 104 Q CA 0.738 56.237 55.803 -0.506 0.000 0.848 104 Q CB 0.173 28.407 28.738 -0.839 0.000 0.931 104 Q HN 0.237 8.507 8.270 -0.000 0.000 0.470 105 F N -0.307 119.516 119.950 -0.211 0.000 2.698 105 F HA 0.271 4.798 4.527 0.001 0.000 0.295 105 F C 0.894 176.694 175.800 0.000 0.000 1.124 105 F CA 0.126 58.022 58.000 -0.172 0.000 1.426 105 F CB 0.719 39.472 39.000 -0.411 0.000 1.120 105 F HN -0.195 8.105 8.300 -0.000 0.000 0.583 106 R N 0.023 120.647 120.500 0.207 0.000 2.684 106 R HA 0.183 4.524 4.340 0.001 0.000 0.252 106 R C -2.373 174.007 176.300 0.133 0.000 1.628 106 R CA -1.035 55.178 56.100 0.187 0.000 1.622 106 R CB 0.475 30.912 30.300 0.230 0.000 1.418 106 R HN -0.036 8.234 8.270 -0.000 0.000 0.697 107 P HA -0.210 4.210 4.420 -0.000 0.000 0.222 107 P C 0.826 178.172 177.300 0.076 0.000 1.142 107 P CA 1.429 64.561 63.100 0.053 0.000 0.788 107 P CB 0.270 31.984 31.700 0.024 0.000 0.767 108 D N -0.486 119.969 120.400 0.092 0.000 2.091 108 D HA -0.151 4.489 4.640 0.001 0.000 0.199 108 D C 1.840 178.227 176.300 0.145 0.000 0.980 108 D CA 0.975 55.035 54.000 0.099 0.000 0.831 108 D CB -1.151 39.702 40.800 0.088 0.000 0.987 108 D HN 0.063 8.433 8.370 -0.000 0.000 0.460 109 L N 0.037 121.364 121.223 0.173 0.000 2.129 109 L HA -0.140 4.201 4.340 0.001 0.000 0.212 109 L C 2.309 179.410 176.870 0.384 0.000 1.087 109 L CA 0.544 55.545 54.840 0.268 0.000 0.757 109 L CB -0.420 41.784 42.059 0.242 0.000 0.896 109 L HN 0.253 8.483 8.230 -0.000 0.000 0.434 110 I N -0.103 120.619 120.570 0.253 0.000 2.394 110 I HA -0.221 3.949 4.170 0.001 0.000 0.251 110 I C 2.356 178.576 176.117 0.172 0.000 1.136 110 I CA 1.444 62.855 61.300 0.186 0.000 1.425 110 I CB -0.829 37.201 38.000 0.050 0.000 1.079 110 I HN 0.294 8.504 8.210 -0.000 0.000 0.425 111 K N 0.655 121.137 120.400 0.135 0.000 2.167 111 K HA -0.033 4.287 4.320 0.001 0.000 0.203 111 K C 0.614 177.264 176.600 0.085 0.000 1.052 111 K CA 0.272 56.612 56.287 0.089 0.000 0.956 111 K CB 0.048 32.584 32.500 0.061 0.000 0.735 111 K HN 0.449 8.699 8.250 -0.000 0.000 0.451 112 E N 1.530 121.806 120.200 0.127 0.000 2.408 112 E HA -0.049 4.301 4.350 0.001 0.000 0.259 112 E C -0.447 176.120 176.600 -0.054 0.000 1.110 112 E CA -0.169 56.246 56.400 0.025 0.000 0.929 112 E CB 0.424 30.203 29.700 0.133 0.000 0.971 112 E HN 0.011 8.371 8.360 -0.000 0.000 0.438 113 D N 1.136 121.345 120.400 -0.318 0.000 2.347 113 D HA 0.168 4.809 4.640 0.001 0.000 0.235 113 D C -1.342 174.604 176.300 -0.589 0.000 1.149 113 D CA -0.067 53.761 54.000 -0.287 0.000 0.850 113 D CB 0.198 40.879 40.800 -0.199 0.000 1.061 113 D HN 0.341 8.711 8.370 -0.000 0.000 0.487 114 H N 1.899 120.910 119.070 -0.098 0.000 2.980 114 H HA 0.524 5.080 4.556 0.001 0.000 0.367 114 H C -2.075 173.237 175.328 -0.027 0.000 1.206 114 H CA -1.573 54.332 56.048 -0.238 0.000 1.126 114 H CB 1.518 30.869 29.762 -0.685 0.000 1.838 114 H HN 0.303 8.583 8.280 -0.000 0.000 0.552 115 P HA 0.045 4.465 4.420 -0.000 0.000 0.281 115 P C 0.718 178.149 177.300 0.219 0.000 1.249 115 P CA -0.615 62.572 63.100 0.144 0.000 0.810 115 P CB 1.678 33.435 31.700 0.095 0.000 1.008 116 L N 1.925 123.306 121.223 0.262 0.000 2.137 116 L HA -0.215 4.125 4.340 0.001 0.000 0.213 116 L C 2.363 179.398 176.870 0.275 0.000 1.085 116 L CA 1.993 57.039 54.840 0.342 0.000 0.760 116 L CB -0.998 41.192 42.059 0.218 0.000 0.893 116 L HN 0.574 8.804 8.230 -0.000 0.000 0.434 117 E N -1.479 118.828 120.200 0.178 0.000 2.153 117 E HA -0.298 4.052 4.350 0.001 0.000 0.194 117 E C 2.114 178.787 176.600 0.121 0.000 0.988 117 E CA 1.186 57.667 56.400 0.134 0.000 0.811 117 E CB -0.323 29.436 29.700 0.098 0.000 0.746 117 E HN 0.557 8.917 8.360 -0.000 0.000 0.466 118 F N 0.346 120.239 119.950 -0.095 0.000 2.095 118 F HA -0.242 4.285 4.527 0.001 0.000 0.298 118 F C 1.516 177.175 175.800 -0.234 0.000 1.104 118 F CA 1.736 59.584 58.000 -0.252 0.000 1.232 118 F CB -0.475 38.223 39.000 -0.503 0.000 0.987 118 F HN 0.086 8.386 8.300 -0.000 0.000 0.475 119 Y N 0.194 120.569 120.300 0.124 0.000 2.263 119 Y HA -0.149 4.401 4.550 0.001 0.000 0.292 119 Y C 2.593 178.621 175.900 0.214 0.000 1.130 119 Y CA 1.451 59.641 58.100 0.150 0.000 1.179 119 Y CB -0.654 37.993 38.460 0.311 0.000 0.998 119 Y HN 0.041 8.321 8.280 -0.000 0.000 0.532 120 K N 0.704 121.275 120.400 0.285 0.000 1.991 120 K HA -0.216 4.104 4.320 0.001 0.000 0.212 120 K C 1.438 178.203 176.600 0.275 0.000 1.049 120 K CA 2.187 58.630 56.287 0.260 0.000 0.932 120 K CB -0.224 32.383 32.500 0.177 0.000 0.717 120 K HN 0.221 8.471 8.250 -0.000 0.000 0.441 121 D N 0.631 121.112 120.400 0.136 0.000 2.097 121 D HA -0.179 4.462 4.640 0.001 0.000 0.195 121 D C 1.895 178.273 176.300 0.130 0.000 0.989 121 D CA 1.166 55.233 54.000 0.112 0.000 0.827 121 D CB -0.193 40.613 40.800 0.009 0.000 0.966 121 D HN 0.174 8.544 8.370 -0.000 0.000 0.456 122 K N 0.673 121.056 120.400 -0.028 0.000 2.020 122 K HA -0.201 4.119 4.320 0.001 0.000 0.212 122 K C 2.000 178.737 176.600 0.228 0.000 1.050 122 K CA 1.013 57.259 56.287 -0.068 0.000 0.929 122 K CB -0.820 31.449 32.500 -0.385 0.000 0.714 122 K HN 0.045 8.295 8.250 -0.000 0.000 0.443 123 F N 0.098 120.203 119.950 0.258 0.000 2.102 123 F HA -0.115 4.412 4.527 0.001 0.000 0.298 123 F C 1.975 177.820 175.800 0.075 0.000 1.105 123 F CA 1.598 59.696 58.000 0.162 0.000 1.239 123 F CB -0.705 38.340 39.000 0.076 0.000 0.991 123 F HN 0.155 8.455 8.300 -0.000 0.000 0.474 124 F N 1.479 121.493 119.950 0.106 0.000 2.069 124 F HA -0.293 4.235 4.527 0.001 0.000 0.298 124 F C 2.200 177.867 175.800 -0.221 0.000 1.113 124 F CA 2.216 60.187 58.000 -0.050 0.000 1.214 124 F CB -0.652 38.406 39.000 0.098 0.000 0.978 124 F HN -0.051 8.249 8.300 -0.000 0.000 0.474 125 N N 0.095 118.817 118.700 0.036 0.000 2.494 125 N HA -0.063 4.677 4.740 0.001 0.000 0.182 125 N C 1.184 176.582 175.510 -0.187 0.000 1.076 125 N CA 1.052 54.053 53.050 -0.082 0.000 0.908 125 N CB -0.056 38.462 38.487 0.051 0.000 0.967 125 N HN 0.585 8.965 8.380 -0.000 0.000 0.449 126 E N -0.306 119.765 120.200 -0.215 0.000 2.391 126 E HA 0.098 4.449 4.350 0.001 0.000 0.206 126 E C 0.256 176.667 176.600 -0.314 0.000 0.851 126 E CA -0.175 56.108 56.400 -0.196 0.000 1.059 126 E CB 0.934 30.604 29.700 -0.050 0.000 1.065 126 E HN -0.096 8.264 8.360 -0.000 0.000 0.512 127 V N 2.506 122.075 119.914 -0.574 0.000 2.999 127 V HA -0.030 4.091 4.120 0.001 0.000 0.307 127 V C 0.037 175.806 176.094 -0.542 0.000 1.084 127 V CA 0.010 61.880 62.300 -0.716 0.000 1.155 127 V CB 0.860 31.808 31.823 -1.458 0.000 0.975 127 V HN 0.181 8.371 8.190 -0.000 0.000 0.490 128 N N 4.526 123.001 118.700 -0.376 0.000 2.415 128 N HA 0.159 4.900 4.740 0.001 0.000 0.250 128 N C 0.599 175.922 175.510 -0.310 0.000 1.127 128 N CA 0.176 53.054 53.050 -0.285 0.000 0.945 128 N CB 0.567 38.919 38.487 -0.224 0.000 1.196 128 N HN 0.654 9.034 8.380 -0.000 0.000 0.499 129 K N 1.178 121.335 120.400 -0.405 0.000 2.589 129 K HA 0.065 4.385 4.320 0.001 0.000 0.192 129 K C 0.335 176.921 176.600 -0.023 0.000 1.029 129 K CA 0.350 56.395 56.287 -0.402 0.000 1.031 129 K CB 0.288 32.349 32.500 -0.733 0.000 0.821 129 K HN 0.352 8.602 8.250 -0.000 0.000 0.502 130 S N 0.156 115.820 115.700 -0.060 0.000 2.603 130 S HA 0.048 4.518 4.470 0.001 0.000 0.232 130 S C -0.005 174.505 174.600 -0.150 0.000 1.016 130 S CA -0.357 57.837 58.200 -0.009 0.000 0.976 130 S CB 0.510 63.722 63.200 0.021 0.000 0.921 130 S HN 0.283 8.593 8.310 -0.000 0.000 0.516 131 E N 1.582 121.646 120.200 -0.227 0.000 2.266 131 E HA 0.488 4.839 4.350 0.001 0.000 0.277 131 E C -1.042 175.347 176.600 -0.352 0.000 1.018 131 E CA -0.278 55.893 56.400 -0.382 0.000 0.840 131 E CB 0.668 30.123 29.700 -0.409 0.000 1.082 131 E HN 0.233 8.593 8.360 -0.000 0.000 0.395 132 L N 3.248 124.167 121.223 -0.506 0.000 2.303 132 L HA 0.494 4.835 4.340 0.001 0.000 0.266 132 L C -1.226 175.252 176.870 -0.654 0.000 1.011 132 L CA -1.112 53.458 54.840 -0.451 0.000 0.818 132 L CB 1.282 43.039 42.059 -0.504 0.000 1.326 132 L HN 0.576 8.806 8.230 -0.000 0.000 0.435 133 Y N 1.087 121.501 120.300 0.191 0.000 2.338 133 Y HA 0.426 4.976 4.550 0.001 0.000 0.333 133 Y C -0.405 175.637 175.900 0.237 0.000 0.968 133 Y CA -0.752 57.509 58.100 0.269 0.000 1.123 133 Y CB 1.739 40.396 38.460 0.327 0.000 1.165 133 Y HN 0.240 8.520 8.280 -0.000 0.000 0.452 134 L N 4.534 125.913 121.223 0.260 0.000 2.331 134 L HA 0.575 4.916 4.340 0.001 0.000 0.278 134 L C 0.337 177.178 176.870 -0.048 0.000 1.106 134 L CA 0.294 55.130 54.840 -0.006 0.000 0.824 134 L CB 0.511 42.503 42.059 -0.112 0.000 1.142 134 L HN 0.825 9.055 8.230 -0.000 0.000 0.443 135 T N 1.544 116.028 114.554 -0.116 0.000 2.926 135 T HA 0.743 5.093 4.350 0.001 0.000 0.289 135 T C 0.345 174.957 174.700 -0.147 0.000 1.054 135 T CA -0.271 61.772 62.100 -0.095 0.000 1.015 135 T CB 1.596 70.442 68.868 -0.037 0.000 1.167 135 T HN 0.667 8.907 8.240 -0.000 0.000 0.526 136 A N -0.055 122.697 122.820 -0.114 0.000 2.423 136 A HA 0.344 4.665 4.320 0.001 0.000 0.246 136 A C 0.653 178.316 177.584 0.133 0.000 1.278 136 A CA -0.314 51.668 52.037 -0.090 0.000 0.903 136 A CB -0.757 18.154 19.000 -0.148 0.000 0.997 136 A HN 0.896 9.046 8.150 -0.000 0.000 0.510 137 E N 0.471 120.743 120.200 0.120 0.000 2.351 137 E HA 0.271 4.622 4.350 0.001 0.000 0.266 137 E C -1.044 175.678 176.600 0.202 0.000 1.031 137 E CA -0.268 56.208 56.400 0.127 0.000 0.911 137 E CB 0.305 30.054 29.700 0.083 0.000 0.986 137 E HN 0.281 8.641 8.360 -0.000 0.000 0.446 138 L N 5.290 126.607 121.223 0.157 0.000 2.294 138 L HA 0.376 4.717 4.340 0.001 0.000 0.283 138 L C -0.920 176.083 176.870 0.222 0.000 1.015 138 L CA -0.014 54.877 54.840 0.086 0.000 0.831 138 L CB 1.229 43.272 42.059 -0.028 0.000 1.217 138 L HN 0.654 8.884 8.230 -0.000 0.000 0.420 139 S N 2.243 118.024 115.700 0.134 0.000 2.697 139 S HA 0.648 5.119 4.470 0.001 0.000 0.289 139 S C -0.740 173.563 174.600 -0.496 0.000 1.149 139 S CA -0.888 57.303 58.200 -0.016 0.000 0.850 139 S CB 1.563 64.728 63.200 -0.058 0.000 1.151 139 S HN 0.638 8.948 8.310 -0.000 0.000 0.491 140 E N 0.264 119.913 120.200 -0.918 0.000 2.242 140 E HA 0.634 4.984 4.350 0.001 0.000 0.275 140 E C -0.681 175.548 176.600 -0.619 0.000 1.002 140 E CA -0.966 54.771 56.400 -1.105 0.000 0.841 140 E CB 0.929 29.835 29.700 -1.323 0.000 1.109 140 E HN 0.688 9.048 8.360 -0.000 0.000 0.394 141 I N -0.164 120.073 120.570 -0.555 0.000 2.892 141 I HA 0.478 4.648 4.170 0.001 0.000 0.306 141 I C -0.895 175.174 176.117 -0.079 0.000 1.078 141 I CA -1.206 59.856 61.300 -0.397 0.000 1.032 141 I CB 1.643 39.171 38.000 -0.787 0.000 1.229 141 I HN 0.662 8.872 8.210 -0.000 0.000 0.435 142 W N 5.639 126.859 121.300 -0.132 0.000 2.387 142 W HA 0.227 4.888 4.660 0.001 0.000 0.310 142 W C 0.515 177.126 176.519 0.154 0.000 1.181 142 W CA -1.000 56.338 57.345 -0.012 0.000 1.333 142 W CB 1.482 30.952 29.460 0.016 0.000 1.286 142 W HN 0.678 8.858 8.180 -0.000 0.000 0.455 143 L N 6.250 127.444 121.223 -0.047 0.000 2.261 143 L HA -0.222 4.118 4.340 0.001 0.000 0.216 143 L C 2.365 178.891 176.870 -0.574 0.000 1.114 143 L CA 1.934 56.605 54.840 -0.282 0.000 0.777 143 L CB -0.685 41.041 42.059 -0.555 0.000 0.910 143 L HN 0.588 8.818 8.230 -0.000 0.000 0.440 144 K N -0.980 118.750 120.400 -1.117 0.000 2.362 144 K HA -0.137 4.183 4.320 0.001 0.000 0.200 144 K C 0.888 177.254 176.600 -0.390 0.000 1.046 144 K CA 1.155 56.926 56.287 -0.859 0.000 0.952 144 K CB -0.021 31.723 32.500 -1.260 0.000 0.753 144 K HN 0.341 8.591 8.250 -0.000 0.000 0.466 145 D N 0.258 120.512 120.400 -0.245 0.000 2.340 145 D HA -0.050 4.590 4.640 0.001 0.000 0.220 145 D C -0.085 175.945 176.300 -0.449 0.000 1.039 145 D CA 0.066 54.045 54.000 -0.036 0.000 0.866 145 D CB -0.171 40.840 40.800 0.352 0.000 0.913 145 D HN 0.128 8.498 8.370 -0.000 0.000 0.523 146 F N 1.088 120.504 119.950 -0.890 0.000 2.607 146 F HA 0.013 4.541 4.527 0.001 0.000 0.374 146 F C 1.142 176.625 175.800 -0.529 0.000 1.104 146 F CA 0.535 57.804 58.000 -1.218 0.000 1.296 146 F CB 0.520 39.163 39.000 -0.596 0.000 1.085 146 F HN -0.191 8.109 8.300 -0.000 0.000 0.584 147 I N 3.192 122.866 120.570 -1.494 0.000 4.046 147 I HA 0.417 4.587 4.170 0.001 0.000 0.285 147 I C 0.247 175.691 176.117 -1.122 0.000 1.183 147 I CA 0.257 61.018 61.300 -0.898 0.000 1.337 147 I CB 0.287 38.011 38.000 -0.460 0.000 1.478 147 I HN 0.661 8.871 8.210 -0.000 0.000 0.452 148 A N 0.318 122.285 122.820 -1.421 0.000 2.549 148 A HA 0.575 4.895 4.320 0.001 0.000 0.291 148 A C -1.555 175.905 177.584 -0.207 0.000 1.034 148 A CA -0.387 51.273 52.037 -0.629 0.000 0.655 148 A CB 0.958 19.813 19.000 -0.242 0.000 1.299 148 A HN -0.189 7.961 8.150 -0.000 0.000 0.427 149 V N 1.782 121.796 119.914 0.166 0.000 2.385 149 V HA 0.577 4.697 4.120 0.001 0.000 0.269 149 V C 1.137 177.314 176.094 0.138 0.000 1.043 149 V CA 0.501 62.914 62.300 0.189 0.000 0.906 149 V CB 0.759 32.747 31.823 0.275 0.000 0.995 149 V HN 1.327 9.518 8.190 -0.000 0.000 0.467 150 G N 3.593 112.477 108.800 0.140 0.000 2.537 150 G HA2 0.544 4.504 3.960 0.001 0.000 0.297 150 G HA3 0.544 4.504 3.960 0.001 0.000 0.297 150 G C -0.759 174.265 174.900 0.207 0.000 1.310 150 G CA -0.353 44.871 45.100 0.206 0.000 1.027 150 G HN 0.600 8.890 8.290 -0.000 0.000 0.505 151 Q N -0.814 119.136 119.800 0.250 0.000 2.323 151 Q HA 0.475 4.816 4.340 0.001 0.000 0.271 151 Q C -1.109 175.046 176.000 0.259 0.000 1.048 151 Q CA -0.626 55.308 55.803 0.219 0.000 0.792 151 Q CB 1.549 30.392 28.738 0.174 0.000 1.280 151 Q HN 0.265 8.535 8.270 -0.000 0.000 0.441 152 I N 5.465 126.158 120.570 0.205 0.000 2.331 152 I HA 0.395 4.566 4.170 0.001 0.000 0.292 152 I C -0.501 175.779 176.117 0.272 0.000 0.998 152 I CA -0.434 60.953 61.300 0.145 0.000 1.267 152 I CB 0.661 38.639 38.000 -0.037 0.000 1.386 152 I HN 0.690 8.900 8.210 -0.000 0.000 0.476 153 L N 8.128 129.539 121.223 0.314 0.000 2.362 153 L HA 0.602 4.942 4.340 0.001 0.000 0.271 153 L C -2.437 174.675 176.870 0.404 0.000 1.002 153 L CA -1.697 53.415 54.840 0.455 0.000 0.818 153 L CB 2.577 44.912 42.059 0.459 0.000 1.298 153 L HN 0.337 8.567 8.230 -0.000 0.000 0.420 154 P HA 0.236 4.656 4.420 -0.000 0.000 0.283 154 P C -0.086 177.349 177.300 0.225 0.000 1.271 154 P CA -0.509 62.802 63.100 0.352 0.000 0.841 154 P CB 1.417 33.396 31.700 0.464 0.000 1.122 155 E N 0.328 120.605 120.200 0.129 0.000 2.108 155 E HA -0.213 4.138 4.350 0.001 0.000 0.203 155 E C 2.081 178.773 176.600 0.152 0.000 1.022 155 E CA 2.172 58.649 56.400 0.128 0.000 0.823 155 E CB -0.589 29.139 29.700 0.048 0.000 0.744 155 E HN 0.406 8.766 8.360 -0.000 0.000 0.456 156 S N 0.671 116.430 115.700 0.099 0.000 2.369 156 S HA -0.240 4.230 4.470 0.001 0.000 0.225 156 S C 1.879 176.520 174.600 0.068 0.000 1.043 156 S CA 1.414 59.650 58.200 0.060 0.000 1.074 156 S CB -0.278 62.932 63.200 0.017 0.000 0.962 156 S HN 0.263 8.573 8.310 -0.000 0.000 0.433 157 Q N -0.420 119.434 119.800 0.090 0.000 2.230 157 Q HA -0.003 4.337 4.340 0.001 0.000 0.202 157 Q C 1.789 177.844 176.000 0.092 0.000 0.963 157 Q CA 0.628 56.477 55.803 0.077 0.000 0.866 157 Q CB -0.447 28.348 28.738 0.094 0.000 0.931 157 Q HN 0.725 8.995 8.270 -0.000 0.000 0.452 158 W N 1.778 123.077 121.300 -0.001 0.000 2.465 158 W HA -0.049 4.612 4.660 0.001 0.000 0.268 158 W C 0.201 176.704 176.519 -0.027 0.000 1.242 158 W CA 0.836 58.172 57.345 -0.016 0.000 1.248 158 W CB 0.319 29.768 29.460 -0.017 0.000 1.118 158 W HN 0.173 8.353 8.180 -0.000 0.000 0.587 159 N N 0.756 119.498 118.700 0.070 0.000 2.238 159 N HA -0.019 4.722 4.740 0.001 0.000 0.222 159 N C -0.821 174.665 175.510 -0.040 0.000 1.133 159 N CA 0.316 53.370 53.050 0.007 0.000 0.854 159 N CB 0.020 38.546 38.487 0.064 0.000 1.041 159 N HN -0.029 8.351 8.380 -0.000 0.000 0.510 160 D N 0.303 120.662 120.400 -0.068 0.000 2.317 160 D HA 0.194 4.835 4.640 0.001 0.000 0.234 160 D C 0.443 176.683 176.300 -0.100 0.000 1.112 160 D CA -0.143 53.817 54.000 -0.066 0.000 0.840 160 D CB 1.136 41.906 40.800 -0.051 0.000 1.078 160 D HN -0.129 8.241 8.370 -0.000 0.000 0.486 161 S N 1.479 117.130 115.700 -0.082 0.000 2.595 161 S HA -0.061 4.409 4.470 0.001 0.000 0.235 161 S C 1.697 176.248 174.600 -0.082 0.000 0.974 161 S CA 0.289 58.436 58.200 -0.088 0.000 0.942 161 S CB 0.214 63.374 63.200 -0.067 0.000 0.766 161 S HN 0.392 8.702 8.310 -0.000 0.000 0.536 162 S N 0.823 116.479 115.700 -0.073 0.000 2.501 162 S HA 0.279 4.749 4.470 0.001 0.000 0.220 162 S C 0.567 175.123 174.600 -0.073 0.000 0.997 162 S CA 0.192 58.355 58.200 -0.062 0.000 0.919 162 S CB 0.118 63.290 63.200 -0.047 0.000 0.778 162 S HN 0.412 8.722 8.310 -0.000 0.000 0.523 163 I N 3.069 123.582 120.570 -0.096 0.000 2.306 163 I HA 0.208 4.379 4.170 0.001 0.000 0.288 163 I C -0.967 175.054 176.117 -0.160 0.000 1.036 163 I CA -0.630 60.604 61.300 -0.110 0.000 1.221 163 I CB 0.870 38.808 38.000 -0.103 0.000 1.385 163 I HN -0.081 8.129 8.210 -0.000 0.000 0.472 164 D N 7.080 127.398 120.400 -0.137 0.000 2.383 164 D HA 0.118 4.758 4.640 0.001 0.000 0.252 164 D C -0.000 176.179 176.300 -0.201 0.000 1.166 164 D CA 0.019 53.923 54.000 -0.160 0.000 0.879 164 D CB 0.965 41.697 40.800 -0.113 0.000 1.164 164 D HN 0.223 8.593 8.370 -0.000 0.000 0.462 165 K N 1.757 121.982 120.400 -0.292 0.000 2.172 165 K HA 0.428 4.749 4.320 0.001 0.000 0.276 165 K C 0.061 176.524 176.600 -0.228 0.000 1.013 165 K CA -0.304 55.773 56.287 -0.350 0.000 0.913 165 K CB 1.238 33.326 32.500 -0.687 0.000 1.055 165 K HN 0.315 8.565 8.250 -0.000 0.000 0.461 166 I N 2.399 122.863 120.570 -0.176 0.000 2.312 166 I HA 0.096 4.266 4.170 0.001 0.000 0.290 166 I C 0.501 176.524 176.117 -0.155 0.000 1.008 166 I CA -0.742 60.477 61.300 -0.135 0.000 1.226 166 I CB 1.282 39.220 38.000 -0.103 0.000 1.371 166 I HN 0.644 8.854 8.210 -0.000 0.000 0.468 167 E N 7.044 127.174 120.200 -0.118 0.000 2.465 167 E HA -0.116 4.234 4.350 0.001 0.000 0.260 167 E C -0.199 176.322 176.600 -0.131 0.000 0.980 167 E CA 0.227 56.568 56.400 -0.100 0.000 0.927 167 E CB 0.370 30.049 29.700 -0.036 0.000 0.934 167 E HN 0.647 9.007 8.360 -0.000 0.000 0.459 168 D N 2.397 122.680 120.400 -0.195 0.000 3.046 168 D HA -0.216 4.424 4.640 0.001 0.000 0.210 168 D C 0.750 176.858 176.300 -0.319 0.000 1.124 168 D CA 1.306 55.208 54.000 -0.163 0.000 0.986 168 D CB -0.571 40.221 40.800 -0.013 0.000 1.118 168 D HN 0.553 8.923 8.370 -0.000 0.000 0.416 169 R N -0.177 120.052 120.500 -0.451 0.000 2.444 169 R HA 0.120 4.461 4.340 0.001 0.000 0.201 169 R C -0.359 175.777 176.300 -0.274 0.000 0.861 169 R CA 0.429 56.393 56.100 -0.225 0.000 1.034 169 R CB 0.815 31.048 30.300 -0.112 0.000 1.347 169 R HN -0.040 8.230 8.270 -0.000 0.000 0.659 170 D N 0.009 120.160 120.400 -0.416 0.000 2.217 170 D HA 0.288 4.928 4.640 0.001 0.000 0.243 170 D C -0.926 175.206 176.300 -0.281 0.000 1.054 170 D CA 0.029 53.952 54.000 -0.128 0.000 0.838 170 D CB 1.576 42.389 40.800 0.022 0.000 1.162 170 D HN -0.092 8.278 8.370 -0.000 0.000 0.472 171 F N 0.766 120.823 119.950 0.178 0.000 2.588 171 F HA 0.373 4.900 4.527 0.001 0.000 0.314 171 F C -0.272 175.345 175.800 -0.306 0.000 1.069 171 F CA -1.186 56.740 58.000 -0.122 0.000 0.931 171 F CB 1.498 40.360 39.000 -0.229 0.000 1.260 171 F HN 0.068 8.368 8.300 -0.000 0.000 0.465 172 L N 2.567 123.457 121.223 -0.556 0.000 2.309 172 L HA 0.845 5.185 4.340 0.001 0.000 0.282 172 L C -1.187 175.448 176.870 -0.392 0.000 1.036 172 L CA -0.560 53.935 54.840 -0.575 0.000 0.806 172 L CB 1.501 42.889 42.059 -1.119 0.000 1.220 172 L HN 0.417 8.647 8.230 -0.000 0.000 0.429 173 V N 6.382 126.138 119.914 -0.264 0.000 2.531 173 V HA 0.552 4.673 4.120 0.001 0.000 0.301 173 V C 0.262 176.225 176.094 -0.219 0.000 1.034 173 V CA -0.414 61.745 62.300 -0.235 0.000 0.865 173 V CB 1.597 33.339 31.823 -0.134 0.000 0.995 173 V HN 0.873 9.063 8.190 -0.000 0.000 0.424 174 R N 2.209 122.539 120.500 -0.284 0.000 2.576 174 R HA 0.356 4.697 4.340 0.001 0.000 0.237 174 R C -0.766 175.194 176.300 -0.566 0.000 0.917 174 R CA 0.123 55.931 56.100 -0.486 0.000 1.002 174 R CB 0.886 30.724 30.300 -0.770 0.000 1.428 174 R HN 0.657 8.927 8.270 -0.000 0.000 0.603 175 Y N -0.541 119.821 120.300 0.104 0.000 2.638 175 Y HA 0.773 5.323 4.550 0.001 0.000 0.339 175 Y C -0.385 175.652 175.900 0.228 0.000 1.084 175 Y CA -1.582 56.660 58.100 0.237 0.000 1.068 175 Y CB 1.659 40.409 38.460 0.482 0.000 1.294 175 Y HN -0.122 8.158 8.280 -0.000 0.000 0.480 176 A N 0.387 123.432 122.820 0.375 0.000 2.423 176 A HA 0.946 5.267 4.320 0.001 0.000 0.304 176 A C -0.835 176.842 177.584 0.154 0.000 1.104 176 A CA -0.420 51.730 52.037 0.189 0.000 0.757 176 A CB 0.942 19.961 19.000 0.032 0.000 1.313 176 A HN 1.268 9.418 8.150 -0.000 0.000 0.423 177 C N -0.870 118.446 119.300 0.027 0.000 3.295 177 C HA 0.735 5.195 4.460 0.001 0.000 0.341 177 C C -0.625 174.280 174.990 -0.141 0.000 1.418 177 C CA -0.862 58.073 59.018 -0.138 0.000 1.240 177 C CB 0.348 27.866 27.740 -0.370 0.000 1.562 177 C HN 0.952 9.182 8.230 -0.000 0.000 0.457 178 E N 1.084 121.170 120.200 -0.191 0.000 2.345 178 E HA 0.260 4.610 4.350 0.001 0.000 0.259 178 E C -1.760 174.761 176.600 -0.133 0.000 1.117 178 E CA -1.228 55.086 56.400 -0.142 0.000 0.913 178 E CB 0.829 30.444 29.700 -0.142 0.000 1.057 178 E HN 0.457 8.817 8.360 -0.000 0.000 0.432 179 P HA -0.170 4.250 4.420 -0.000 0.000 0.219 179 P C 1.105 178.350 177.300 -0.093 0.000 1.146 179 P CA 1.465 64.523 63.100 -0.070 0.000 0.808 179 P CB 0.032 31.708 31.700 -0.040 0.000 0.779 180 T N -4.020 110.466 114.554 -0.113 0.000 3.085 180 T HA 0.238 4.588 4.350 0.001 0.000 0.263 180 T C 1.249 175.846 174.700 -0.171 0.000 1.127 180 T CA 0.401 62.428 62.100 -0.120 0.000 1.103 180 T CB -0.942 67.860 68.868 -0.109 0.000 0.921 180 T HN 0.154 8.394 8.240 -0.000 0.000 0.510 181 A N 1.115 123.789 122.820 -0.245 0.000 2.748 181 A HA -0.270 4.051 4.320 0.001 0.000 0.297 181 A C 1.183 178.512 177.584 -0.426 0.000 1.508 181 A CA 1.375 53.171 52.037 -0.401 0.000 0.799 181 A CB -2.440 16.411 19.000 -0.248 0.000 1.011 181 A HN 0.734 8.884 8.150 -0.000 0.000 0.500 182 E N -0.589 119.397 120.200 -0.358 0.000 2.112 182 E HA 0.024 4.374 4.350 0.001 0.000 0.190 182 E C 0.880 177.288 176.600 -0.321 0.000 0.979 182 E CA 1.069 57.311 56.400 -0.264 0.000 0.814 182 E CB 0.133 29.721 29.700 -0.186 0.000 0.762 182 E HN 0.743 9.103 8.360 -0.000 0.000 0.460 183 K N -0.013 120.104 120.400 -0.472 0.000 2.482 183 K HA 0.429 4.749 4.320 0.001 0.000 0.257 183 K C -1.321 174.876 176.600 -0.672 0.000 0.969 183 K CA -0.663 55.377 56.287 -0.411 0.000 0.842 183 K CB 1.747 34.111 32.500 -0.228 0.000 1.359 183 K HN -0.170 8.080 8.250 -0.000 0.000 0.441 184 F N 0.511 120.351 119.950 -0.183 0.000 2.508 184 F HA 0.419 4.947 4.527 0.001 0.000 0.325 184 F C -0.218 175.588 175.800 0.010 0.000 1.090 184 F CA -1.003 56.945 58.000 -0.087 0.000 0.945 184 F CB 1.793 40.674 39.000 -0.199 0.000 1.156 184 F HN -0.032 8.268 8.300 -0.000 0.000 0.463 185 V N 4.176 124.267 119.914 0.294 0.000 2.350 185 V HA 0.365 4.486 4.120 0.001 0.000 0.285 185 V C -2.260 174.068 176.094 0.390 0.000 1.014 185 V CA -2.076 60.374 62.300 0.250 0.000 0.831 185 V CB 1.403 33.284 31.823 0.097 0.000 1.000 185 V HN 0.486 8.676 8.190 -0.000 0.000 0.433 186 P HA 0.267 4.687 4.420 -0.000 0.000 0.267 186 P C -0.548 176.818 177.300 0.111 0.000 1.209 186 P CA 0.362 63.617 63.100 0.258 0.000 0.763 186 P CB 0.926 32.756 31.700 0.217 0.000 0.816 187 I N -0.903 119.690 120.570 0.039 0.000 3.239 187 I HA 0.611 4.781 4.170 0.001 0.000 0.314 187 I C -0.676 175.456 176.117 0.024 0.000 1.126 187 I CA -1.294 60.029 61.300 0.038 0.000 0.973 187 I CB 2.394 40.415 38.000 0.035 0.000 1.252 187 I HN 0.017 8.227 8.210 -0.000 0.000 0.463 188 D N 2.357 122.794 120.400 0.062 0.000 2.477 188 D HA 0.244 4.885 4.640 0.001 0.000 0.239 188 D C 0.497 176.842 176.300 0.075 0.000 1.102 188 D CA -0.489 53.569 54.000 0.097 0.000 0.901 188 D CB 1.118 41.991 40.800 0.122 0.000 1.026 188 D HN 0.638 9.008 8.370 -0.000 0.000 0.515 189 I N 3.342 123.906 120.570 -0.011 0.000 2.194 189 I HA -0.196 3.975 4.170 0.001 0.000 0.246 189 I C 1.411 177.401 176.117 -0.212 0.000 1.093 189 I CA 1.585 62.791 61.300 -0.158 0.000 1.355 189 I CB -0.278 37.529 38.000 -0.321 0.000 1.046 189 I HN 0.316 8.526 8.210 -0.000 0.000 0.413 190 F N -0.158 119.835 119.950 0.072 0.000 2.269 190 F HA -0.177 4.350 4.527 0.001 0.000 0.301 190 F C 2.514 178.354 175.800 0.066 0.000 1.082 190 F CA 1.225 59.270 58.000 0.074 0.000 1.360 190 F CB -0.790 38.248 39.000 0.063 0.000 1.041 190 F HN 0.173 8.473 8.300 -0.000 0.000 0.512 191 Q N 0.562 120.480 119.800 0.196 0.000 2.187 191 Q HA -0.011 4.330 4.340 0.001 0.000 0.199 191 Q C 2.031 178.082 176.000 0.084 0.000 0.957 191 Q CA 1.242 57.120 55.803 0.125 0.000 0.857 191 Q CB -0.286 28.518 28.738 0.110 0.000 0.929 191 Q HN 0.471 8.741 8.270 -0.000 0.000 0.453 192 I N -0.461 120.167 120.570 0.095 0.000 2.286 192 I HA -0.220 3.951 4.170 0.001 0.000 0.245 192 I C 1.844 178.014 176.117 0.087 0.000 1.104 192 I CA 0.766 62.130 61.300 0.107 0.000 1.397 192 I CB -0.142 37.908 38.000 0.082 0.000 1.072 192 I HN 0.205 8.415 8.210 -0.000 0.000 0.417 193 I N 0.508 121.119 120.570 0.070 0.000 2.208 193 I HA -0.322 3.848 4.170 0.001 0.000 0.245 193 I C 2.669 178.852 176.117 0.111 0.000 1.097 193 I CA 1.495 62.854 61.300 0.097 0.000 1.363 193 I CB -0.378 37.672 38.000 0.082 0.000 1.051 193 I HN 0.164 8.374 8.210 -0.000 0.000 0.413 194 R N 0.300 120.863 120.500 0.105 0.000 2.105 194 R HA -0.178 4.162 4.340 0.001 0.000 0.239 194 R C 2.430 178.760 176.300 0.051 0.000 1.135 194 R CA 1.398 57.550 56.100 0.085 0.000 0.967 194 R CB -0.306 30.042 30.300 0.079 0.000 0.861 194 R HN 0.266 8.536 8.270 -0.000 0.000 0.442 195 R N -0.089 120.426 120.500 0.025 0.000 2.066 195 R HA -0.073 4.267 4.340 0.001 0.000 0.232 195 R C 2.240 178.577 176.300 0.061 0.000 1.131 195 R CA 1.183 57.276 56.100 -0.012 0.000 0.955 195 R CB -0.425 29.806 30.300 -0.114 0.000 0.851 195 R HN 0.026 8.296 8.270 -0.000 0.000 0.432 196 V N 1.249 121.239 119.914 0.127 0.000 2.407 196 V HA -0.274 3.847 4.120 0.001 0.000 0.248 196 V C 1.942 178.092 176.094 0.092 0.000 1.055 196 V CA 1.772 64.184 62.300 0.185 0.000 1.049 196 V CB -0.334 31.657 31.823 0.281 0.000 0.662 196 V HN 0.312 8.502 8.190 -0.000 0.000 0.455 197 K N -0.531 119.919 120.400 0.082 0.000 2.155 197 K HA -0.169 4.152 4.320 0.001 0.000 0.203 197 K C 2.162 178.782 176.600 0.033 0.000 1.052 197 K CA 1.484 57.805 56.287 0.057 0.000 0.948 197 K CB 0.043 32.594 32.500 0.084 0.000 0.728 197 K HN 0.608 8.858 8.250 -0.000 0.000 0.448 198 E N 0.243 120.462 120.200 0.032 0.000 2.132 198 E HA 0.032 4.383 4.350 0.001 0.000 0.193 198 E C 0.426 177.029 176.600 0.005 0.000 0.951 198 E CA -0.004 56.407 56.400 0.018 0.000 0.843 198 E CB 0.300 30.009 29.700 0.016 0.000 0.807 198 E HN 0.063 8.423 8.360 -0.000 0.000 0.467 199 M N 1.718 121.323 119.600 0.009 0.000 2.167 199 M HA 0.101 4.581 4.480 0.001 0.000 0.300 199 M C 0.273 176.576 176.300 0.004 0.000 1.171 199 M CA -0.095 55.212 55.300 0.010 0.000 1.171 199 M CB 0.397 33.013 32.600 0.026 0.000 1.396 199 M HN -0.086 8.204 8.290 -0.000 0.000 0.466 200 E N 2.110 122.313 120.200 0.006 0.000 2.366 200 E HA 0.109 4.460 4.350 0.001 0.000 0.266 200 E C -1.611 174.993 176.600 0.006 0.000 1.051 200 E CA -1.715 54.678 56.400 -0.013 0.000 0.884 200 E CB 0.265 29.961 29.700 -0.007 0.000 1.006 200 E HN 0.377 8.737 8.360 -0.000 0.000 0.417 201 P HA -0.247 4.173 4.420 -0.000 0.000 0.217 201 P C 0.920 178.358 177.300 0.230 0.000 1.162 201 P CA 1.561 64.628 63.100 -0.054 0.000 0.901 201 P CB 0.286 31.873 31.700 -0.188 0.000 0.793 202 K N 0.056 120.517 120.400 0.103 0.000 2.063 202 K HA -0.200 4.121 4.320 0.001 0.000 0.208 202 K C 2.381 179.048 176.600 0.111 0.000 1.048 202 K CA 1.428 57.766 56.287 0.086 0.000 0.928 202 K CB -0.871 31.643 32.500 0.023 0.000 0.713 202 K HN 0.337 8.587 8.250 -0.000 0.000 0.442 203 Q N 0.875 120.737 119.800 0.102 0.000 2.084 203 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 203 Q C 1.971 178.068 176.000 0.163 0.000 0.978 203 Q CA 2.167 58.032 55.803 0.102 0.000 0.844 203 Q CB 0.057 28.832 28.738 0.062 0.000 0.898 203 Q HN 0.376 8.646 8.270 -0.000 0.000 0.426 204 S N -0.360 115.480 115.700 0.234 0.000 2.436 204 S HA -0.120 4.350 4.470 0.001 0.000 0.228 204 S C 1.479 176.278 174.600 0.331 0.000 1.014 204 S CA 1.055 59.441 58.200 0.311 0.000 0.950 204 S CB -0.137 63.286 63.200 0.373 0.000 0.784 204 S HN 0.442 8.752 8.310 -0.000 0.000 0.504 205 D N 1.828 122.415 120.400 0.311 0.000 2.097 205 D HA -0.112 4.528 4.640 0.001 0.000 0.197 205 D C 1.901 178.252 176.300 0.086 0.000 0.984 205 D CA 1.495 55.592 54.000 0.162 0.000 0.826 205 D CB -0.391 40.443 40.800 0.057 0.000 0.973 205 D HN 0.571 8.941 8.370 -0.000 0.000 0.460 206 E N -1.314 118.941 120.200 0.093 0.000 2.153 206 E HA -0.195 4.155 4.350 0.001 0.000 0.194 206 E C 1.780 178.406 176.600 0.043 0.000 0.988 206 E CA 0.786 57.217 56.400 0.052 0.000 0.811 206 E CB -0.246 29.490 29.700 0.059 0.000 0.746 206 E HN 0.410 8.770 8.360 -0.000 0.000 0.466 207 Y N 1.110 121.405 120.300 -0.009 0.000 2.070 207 Y HA -0.251 4.299 4.550 0.001 0.000 0.279 207 Y C 2.146 178.000 175.900 -0.076 0.000 1.134 207 Y CA 1.440 59.523 58.100 -0.028 0.000 1.113 207 Y CB -0.606 37.848 38.460 -0.009 0.000 0.981 207 Y HN 0.052 8.332 8.280 -0.000 0.000 0.487 208 L N 1.282 122.348 121.223 -0.262 0.000 2.042 208 L HA -0.214 4.126 4.340 0.001 0.000 0.210 208 L C 2.449 179.104 176.870 -0.358 0.000 1.076 208 L CA 2.284 56.868 54.840 -0.427 0.000 0.749 208 L CB -1.037 40.674 42.059 -0.580 0.000 0.893 208 L HN 0.343 8.573 8.230 -0.000 0.000 0.432 209 K N -0.603 119.654 120.400 -0.237 0.000 2.063 209 K HA -0.251 4.070 4.320 0.001 0.000 0.208 209 K C 2.405 178.902 176.600 -0.171 0.000 1.048 209 K CA 1.761 57.950 56.287 -0.163 0.000 0.928 209 K CB -0.248 32.202 32.500 -0.084 0.000 0.713 209 K HN 0.432 8.682 8.250 -0.000 0.000 0.442 210 R N 0.800 121.183 120.500 -0.194 0.000 2.061 210 R HA -0.108 4.233 4.340 0.001 0.000 0.230 210 R C 2.069 178.240 176.300 -0.215 0.000 1.140 210 R CA 1.997 57.990 56.100 -0.177 0.000 0.940 210 R CB -0.677 29.531 30.300 -0.153 0.000 0.839 210 R HN 0.210 8.480 8.270 -0.000 0.000 0.429 211 V N 0.001 119.706 119.914 -0.348 0.000 2.759 211 V HA -0.081 4.040 4.120 0.001 0.000 0.256 211 V C 2.075 178.051 176.094 -0.197 0.000 1.080 211 V CA 1.765 63.884 62.300 -0.301 0.000 1.101 211 V CB -0.322 31.219 31.823 -0.470 0.000 0.698 211 V HN 0.546 8.736 8.190 -0.000 0.000 0.477 212 S N -1.213 114.367 115.700 -0.201 0.000 2.502 212 S HA 0.319 4.790 4.470 0.001 0.000 0.215 212 S C 0.644 175.169 174.600 -0.125 0.000 1.009 212 S CA 0.179 58.293 58.200 -0.143 0.000 0.908 212 S CB 0.127 63.230 63.200 -0.163 0.000 0.801 212 S HN 0.388 8.698 8.310 -0.000 0.000 0.505 213 V N 0.000 119.838 119.914 -0.126 0.000 2.409 213 V HA 0.000 4.120 4.120 0.001 0.000 0.244 213 V CA 0.000 62.234 62.300 -0.110 0.000 1.235 213 V CB 0.000 31.764 31.823 -0.099 0.000 1.184 213 V HN 0.000 8.190 8.190 -0.000 0.000 0.556