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 3c6y_1_A DATA FIRST_RESID 2 DATA SEQUENCE AFAHFVLIHT ICHGAWIWHK LKPLLEALGH KVTALDLAAS GVDPRQIEEI DATA SEQUENCE GSFDEYSEPL LTFLEALPPG EKVILVGESC GGLNIAIAAD KYCEKIAAAV DATA SEQUENCE FHNSVLPDTE HCPSYVVDKL MEVFPDWKDT TYFTYTKDGK EITGLKLGFT DATA SEQUENCE LLRENLYTLC GPEEYELAKM LTRKGSLFQN ILAKRPFFTK EGYGSIKKIY DATA SEQUENCE VWTDQDEIFL PEFQLWQIEN YKPDKVYKVE GGDHKLQLTK TKEIAEILQE DATA SEQUENCE VADTYN 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 A HA 0.000 4.081 4.320 -0.398 0.000 0.244 2 A C 0.000 177.566 177.584 -0.029 0.000 1.274 2 A CA 0.000 51.915 52.037 -0.204 0.000 0.836 2 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 3 F N -1.793 118.218 119.950 0.102 0.000 2.470 3 F HA 0.142 4.856 4.527 0.312 0.000 0.329 3 F C -0.589 175.305 175.800 0.156 0.000 1.072 3 F CA -2.034 56.072 58.000 0.176 0.000 0.989 3 F CB 2.012 41.037 39.000 0.041 0.000 1.193 3 F HN -0.079 8.138 8.300 -0.138 0.000 0.481 4 A N -0.091 122.943 122.820 0.355 0.000 2.527 4 A HA 0.337 4.649 4.320 -0.013 0.000 0.293 4 A C -3.115 174.438 177.584 -0.053 0.000 1.117 4 A CA -1.494 50.507 52.037 -0.060 0.000 0.723 4 A CB 3.223 21.878 19.000 -0.575 0.000 1.313 4 A HN 0.183 8.744 8.150 0.684 0.000 0.411 5 H N 1.345 120.265 119.070 -0.251 0.000 2.623 5 H HA 0.653 5.620 4.556 -0.052 -0.442 0.299 5 H C -1.180 173.965 175.328 -0.306 0.000 1.052 5 H CA -3.032 52.925 56.048 -0.151 0.000 1.231 5 H CB 1.028 30.771 29.762 -0.032 0.000 1.389 5 H HN 0.468 8.707 8.280 -0.069 0.000 0.469 6 F N 7.099 127.130 119.950 0.134 0.000 2.394 6 F HA 0.425 5.063 4.527 -0.133 -0.192 0.340 6 F C -0.946 174.761 175.800 -0.156 0.000 1.105 6 F CA -0.887 57.061 58.000 -0.087 0.000 1.124 6 F CB 1.548 40.438 39.000 -0.184 0.000 1.145 6 F HN 0.591 9.058 8.300 0.278 0.000 0.505 7 V N 3.042 122.871 119.914 -0.142 0.000 2.334 7 V HA 0.497 4.588 4.120 -0.376 -0.198 0.281 7 V C -1.182 174.660 176.094 -0.421 0.000 1.016 7 V CA -1.230 60.854 62.300 -0.360 0.000 0.832 7 V CB 0.304 31.835 31.823 -0.488 0.000 0.999 7 V HN 0.597 8.717 8.190 -0.116 0.000 0.439 8 L N 7.674 128.548 121.223 -0.580 0.000 2.276 8 L HA 0.463 4.352 4.340 -1.011 -0.155 0.286 8 L C -1.045 175.462 176.870 -0.604 0.000 1.061 8 L CA -0.659 53.576 54.840 -1.008 0.000 0.807 8 L CB 0.842 41.838 42.059 -1.772 0.000 1.177 8 L HN 0.593 8.509 8.230 -0.524 0.000 0.429 9 I N 1.284 121.667 120.570 -0.312 0.000 2.420 9 I HA 0.367 4.467 4.170 -0.116 0.000 0.282 9 I C -1.374 174.879 176.117 0.227 0.000 1.019 9 I CA -1.722 59.538 61.300 -0.066 0.000 1.130 9 I CB 1.615 39.519 38.000 -0.160 0.000 1.262 9 I HN 0.503 8.480 8.210 -0.390 0.000 0.454 10 H N 5.677 124.955 119.070 0.347 0.000 2.660 10 H HA 0.028 4.688 4.556 0.005 -0.101 0.374 10 H C -0.954 174.430 175.328 0.093 0.000 1.291 10 H CA -0.806 55.309 56.048 0.112 0.000 1.437 10 H CB 0.763 30.496 29.762 -0.047 0.000 1.509 10 H HN 0.317 8.677 8.280 0.134 0.000 0.614 11 T N -1.520 113.141 114.554 0.179 0.000 2.862 11 T HA 0.160 4.682 4.350 0.287 0.000 0.276 11 T C -0.123 174.885 174.700 0.514 0.000 0.974 11 T CA -1.640 60.616 62.100 0.260 0.000 0.966 11 T CB 1.563 70.460 68.868 0.048 0.000 1.072 11 T HN -0.058 8.507 8.240 0.023 -0.311 0.538 12 I N -3.612 117.245 120.570 0.478 0.000 2.872 12 I HA -0.142 4.298 4.170 0.450 0.000 0.291 12 I C 0.571 176.971 176.117 0.471 0.000 1.216 12 I CA 1.495 63.044 61.300 0.415 0.000 1.424 12 I CB 0.323 38.468 38.000 0.243 0.000 1.351 12 I HN 0.221 8.699 8.210 0.447 0.000 0.592 13 C N -2.228 117.286 119.300 0.357 0.000 4.784 13 C HA -0.341 4.352 4.460 0.211 -0.106 0.261 13 C C -0.177 174.944 174.990 0.218 0.000 1.492 13 C CA 1.470 60.656 59.018 0.281 0.000 1.622 13 C CB -2.675 25.229 27.740 0.272 0.000 1.855 13 C HN 0.869 9.280 8.230 0.301 0.000 0.662 14 H N -0.664 118.502 119.070 0.160 0.000 2.960 14 H HA 0.224 4.906 4.556 0.211 0.000 0.302 14 H C -0.990 174.002 175.328 -0.561 0.000 1.515 14 H CA -0.001 56.004 56.048 -0.072 0.000 1.431 14 H CB 3.219 32.827 29.762 -0.257 0.000 1.890 14 H HN -0.683 7.787 8.280 0.463 0.088 0.762 15 G N -4.191 104.040 108.800 -0.949 0.000 2.663 15 G HA2 0.138 3.164 3.960 -1.556 0.000 0.299 15 G HA3 0.138 3.870 3.960 -0.381 0.000 0.299 15 G C -1.253 173.225 174.900 -0.703 0.000 1.372 15 G CA -0.434 44.087 45.100 -0.965 0.000 0.781 15 G HN -0.105 7.423 8.290 -1.269 0.000 0.491 16 A N 1.390 124.149 122.820 -0.102 0.000 1.986 16 A HA -0.155 4.393 4.320 0.380 0.000 0.220 16 A C 1.685 179.331 177.584 0.102 0.000 1.171 16 A CA 2.975 55.114 52.037 0.170 0.000 0.640 16 A CB -0.053 19.071 19.000 0.207 0.000 0.811 16 A HN 0.479 8.974 8.150 -0.017 -0.355 0.451 17 W N -5.196 116.165 121.300 0.101 0.000 2.321 17 W HA -0.333 4.392 4.660 0.108 0.000 0.285 17 W C 1.078 177.672 176.519 0.125 0.000 1.213 17 W CA 0.552 57.944 57.345 0.079 0.000 1.205 17 W CB -1.334 28.113 29.460 -0.023 0.000 1.134 17 W HN -0.196 8.013 8.180 0.107 0.036 0.549 18 I N 1.363 121.590 120.570 -0.571 0.000 2.567 18 I HA -0.247 3.827 4.170 -0.160 0.000 0.257 18 I C 0.509 176.406 176.117 -0.368 0.000 1.184 18 I CA 1.797 62.762 61.300 -0.559 0.000 1.451 18 I CB -0.097 37.278 38.000 -1.041 0.000 1.089 18 I HN -0.637 6.889 8.210 -1.079 0.036 0.441 19 W N -3.168 118.107 121.300 -0.041 0.000 3.388 19 W HA 0.049 4.638 4.660 -0.118 0.000 0.324 19 W C 0.325 176.847 176.519 0.005 0.000 1.250 19 W CA -0.847 56.461 57.345 -0.062 0.000 1.809 19 W CB -1.298 28.104 29.460 -0.097 0.000 1.083 19 W HN -0.410 7.581 8.180 -0.062 0.152 0.685 20 H N -2.268 116.909 119.070 0.179 0.000 2.491 20 H HA -0.194 4.455 4.556 0.156 0.000 0.290 20 H C 0.761 176.157 175.328 0.114 0.000 1.050 20 H CA 3.012 59.152 56.048 0.153 0.000 1.309 20 H CB -0.473 29.386 29.762 0.161 0.000 1.392 20 H HN -0.350 8.084 8.280 0.399 0.086 0.554 21 K N -1.552 118.619 120.400 -0.382 0.000 2.128 21 K HA -0.160 4.038 4.320 -0.202 0.000 0.202 21 K C 1.424 177.983 176.600 -0.067 0.000 1.050 21 K CA 2.029 58.166 56.287 -0.249 0.000 0.966 21 K CB 0.014 32.337 32.500 -0.295 0.000 0.759 21 K HN -0.172 7.784 8.250 -0.440 0.029 0.454 22 L N 0.118 121.339 121.223 -0.004 0.000 2.109 22 L HA -0.245 4.090 4.340 -0.008 0.000 0.207 22 L C 1.048 177.919 176.870 0.001 0.000 1.086 22 L CA 2.628 57.482 54.840 0.023 0.000 0.760 22 L CB -0.434 41.695 42.059 0.117 0.000 0.910 22 L HN -0.449 7.787 8.230 0.010 0.000 0.437 23 K N -0.570 119.853 120.400 0.038 0.000 2.009 23 K HA -0.221 4.080 4.320 -0.032 0.000 0.210 23 K C -1.071 175.536 176.600 0.012 0.000 1.049 23 K CA 5.784 62.078 56.287 0.012 0.000 0.929 23 K CB -1.818 30.711 32.500 0.049 0.000 0.714 23 K HN -0.083 8.220 8.250 0.089 0.000 0.440 24 P HA -0.077 4.524 4.420 0.014 -0.172 0.218 24 P C 1.455 178.758 177.300 0.005 0.000 1.149 24 P CA 2.189 65.298 63.100 0.015 0.000 0.817 24 P CB -0.362 31.352 31.700 0.024 0.000 0.785 25 L N -1.258 119.965 121.223 -0.001 0.000 2.056 25 L HA -0.279 4.061 4.340 0.000 0.000 0.207 25 L C 1.925 178.803 176.870 0.013 0.000 1.078 25 L CA 2.944 57.782 54.840 -0.002 0.000 0.749 25 L CB -0.305 41.746 42.059 -0.013 0.000 0.901 25 L HN -0.917 7.293 8.230 -0.004 0.017 0.433 26 L N -2.259 118.968 121.223 0.007 0.000 2.083 26 L HA -0.498 3.926 4.340 0.140 0.000 0.209 26 L C 2.568 179.513 176.870 0.124 0.000 1.083 26 L CA 3.284 58.174 54.840 0.083 0.000 0.752 26 L CB -0.547 41.489 42.059 -0.037 0.000 0.899 26 L HN -0.141 8.077 8.230 -0.019 0.000 0.433 27 E N -0.815 119.412 120.200 0.044 0.000 2.153 27 E HA -0.265 4.263 4.350 -0.011 -0.185 0.194 27 E C 2.964 179.531 176.600 -0.055 0.000 0.988 27 E CA 2.670 59.065 56.400 -0.009 0.000 0.811 27 E CB -0.194 29.497 29.700 -0.016 0.000 0.746 27 E HN -0.337 8.041 8.360 0.029 0.000 0.466 28 A N -0.730 122.075 122.820 -0.026 0.000 2.121 28 A HA -0.121 4.172 4.320 -0.045 0.000 0.218 28 A C 0.638 178.198 177.584 -0.040 0.000 1.154 28 A CA 2.338 54.356 52.037 -0.032 0.000 0.679 28 A CB -0.461 18.533 19.000 -0.010 0.000 0.795 28 A HN -0.167 7.871 8.150 -0.006 0.108 0.458 29 L N -4.904 116.295 121.223 -0.040 0.000 2.592 29 L HA 0.067 4.400 4.340 -0.011 0.000 0.227 29 L C 0.340 177.063 176.870 -0.245 0.000 1.127 29 L CA -0.546 54.259 54.840 -0.060 0.000 0.884 29 L CB 0.297 42.386 42.059 0.050 0.000 1.065 29 L HN -0.744 7.318 8.230 -0.011 0.162 0.457 30 G N -3.708 104.864 108.800 -0.380 0.000 2.179 30 G HA2 -0.334 3.221 3.960 -0.675 0.000 0.220 30 G HA3 -0.334 2.928 3.960 -1.163 0.000 0.220 30 G C -0.170 174.209 174.900 -0.869 0.000 0.990 30 G CA -0.298 44.313 45.100 -0.815 0.000 0.646 30 G HN -0.409 7.534 8.290 -0.257 0.193 0.517 31 H N 0.215 119.194 119.070 -0.151 0.000 2.547 31 H HA 0.088 4.703 4.556 -0.009 -0.064 0.362 31 H C -0.576 174.716 175.328 -0.060 0.000 1.181 31 H CA 0.276 56.324 56.048 -0.001 0.000 1.376 31 H CB 1.161 31.100 29.762 0.294 0.000 1.488 31 H HN -0.608 7.468 8.280 -0.340 0.000 0.583 32 K N 1.685 122.135 120.400 0.083 0.000 2.205 32 K HA 0.207 4.474 4.320 -0.088 0.000 0.279 32 K C -2.041 174.593 176.600 0.057 0.000 1.027 32 K CA -0.547 55.697 56.287 -0.071 0.000 0.932 32 K CB 1.171 33.464 32.500 -0.344 0.000 1.032 32 K HN -0.060 8.264 8.250 0.123 0.000 0.466 33 V N 5.309 125.241 119.914 0.029 0.000 2.638 33 V HA 0.708 5.134 4.120 0.191 -0.191 0.306 33 V C -0.358 175.763 176.094 0.045 0.000 1.052 33 V CA -2.032 60.323 62.300 0.091 0.000 0.885 33 V CB 2.745 34.591 31.823 0.039 0.000 0.999 33 V HN 0.243 8.416 8.190 -0.029 0.000 0.424 34 T N 7.698 122.281 114.554 0.050 0.000 2.792 34 T HA 0.262 4.598 4.350 -0.023 0.000 0.280 34 T C -1.615 172.958 174.700 -0.210 0.000 0.990 34 T CA -1.041 61.019 62.100 -0.067 0.000 0.960 34 T CB 1.789 70.561 68.868 -0.161 0.000 0.939 34 T HN 0.654 8.943 8.240 0.083 0.000 0.439 35 A N 7.916 130.650 122.820 -0.143 0.000 2.293 35 A HA 0.585 4.914 4.320 -0.255 -0.161 0.312 35 A C -1.135 176.429 177.584 -0.034 0.000 1.309 35 A CA -1.397 50.564 52.037 -0.127 0.000 0.839 35 A CB 1.334 20.334 19.000 -0.000 0.000 1.155 35 A HN 0.309 8.412 8.150 -0.077 0.000 0.501 36 L N 2.929 124.114 121.223 -0.063 0.000 2.379 36 L HA 0.097 4.434 4.340 -0.004 0.000 0.269 36 L C -0.521 176.448 176.870 0.165 0.000 1.084 36 L CA -0.806 54.031 54.840 -0.005 0.000 0.802 36 L CB 1.006 42.998 42.059 -0.112 0.000 1.175 36 L HN -0.488 7.663 8.230 -0.131 0.000 0.448 37 D N 1.061 121.560 120.400 0.165 0.000 2.280 37 D HA 0.092 4.958 4.640 0.376 0.000 0.243 37 D C -0.373 176.071 176.300 0.240 0.000 1.129 37 D CA -0.325 53.828 54.000 0.256 0.000 0.848 37 D CB 0.400 41.302 40.800 0.169 0.000 1.107 37 D HN -0.055 8.385 8.370 0.117 0.000 0.471 38 L N 1.762 123.216 121.223 0.386 0.000 2.470 38 L HA -0.052 4.269 4.340 -0.032 0.000 0.243 38 L C 0.117 177.090 176.870 0.173 0.000 1.227 38 L CA -0.184 54.691 54.840 0.059 0.000 0.824 38 L CB 0.594 42.430 42.059 -0.372 0.000 1.175 38 L HN 0.067 8.866 8.230 0.949 0.000 0.503 39 A N -2.162 120.735 122.820 0.129 0.000 2.540 39 A HA -0.270 4.266 4.320 0.165 -0.116 0.239 39 A C -0.037 177.740 177.584 0.321 0.000 1.061 39 A CA 0.918 53.088 52.037 0.221 0.000 0.758 39 A CB -0.254 18.875 19.000 0.215 0.000 0.991 39 A HN -0.290 7.859 8.150 -0.003 0.000 0.502 40 A N 1.205 124.157 122.820 0.219 0.000 2.816 40 A HA -0.396 4.246 4.320 0.139 -0.239 0.270 40 A C -1.283 176.427 177.584 0.210 0.000 1.413 40 A CA 0.876 53.025 52.037 0.188 0.000 0.866 40 A CB -1.490 17.614 19.000 0.174 0.000 1.032 40 A HN 0.415 8.994 8.150 0.175 -0.323 0.642 41 S N -2.049 113.791 115.700 0.234 0.000 2.568 41 S HA 0.212 4.798 4.470 0.193 0.000 0.293 41 S C 0.140 174.822 174.600 0.137 0.000 1.089 41 S CA -0.856 57.469 58.200 0.209 0.000 0.945 41 S CB 2.524 65.924 63.200 0.334 0.000 1.077 41 S HN -0.892 7.514 8.310 0.230 0.042 0.485 42 G N 3.530 112.407 108.800 0.130 0.000 2.660 42 G HA2 -0.398 3.745 3.960 0.305 0.000 0.321 42 G HA3 -0.398 3.881 3.960 0.183 -0.209 0.321 42 G C 0.164 175.140 174.900 0.127 0.000 1.246 42 G CA 1.735 46.951 45.100 0.193 0.000 1.000 42 G HN 0.218 8.592 8.290 0.139 0.000 0.550 43 V N 0.880 120.862 119.914 0.114 0.000 3.249 43 V HA 0.270 4.424 4.120 0.057 0.000 0.338 43 V C -0.716 175.423 176.094 0.074 0.000 1.363 43 V CA -1.787 60.557 62.300 0.074 0.000 1.205 43 V CB -0.890 30.968 31.823 0.058 0.000 1.164 43 V HN -0.443 8.088 8.190 0.131 -0.262 0.458 44 D N 2.753 123.209 120.400 0.094 0.000 2.424 44 D HA 0.094 4.783 4.640 0.083 0.000 0.244 44 D C -0.089 176.255 176.300 0.073 0.000 1.134 44 D CA -0.953 53.102 54.000 0.091 0.000 0.881 44 D CB 2.447 43.318 40.800 0.119 0.000 1.191 44 D HN -0.378 7.983 8.370 0.109 0.074 0.445 45 P HA 0.038 4.481 4.420 0.038 0.000 0.236 45 P C -0.286 177.040 177.300 0.045 0.000 1.177 45 P CA 0.371 63.498 63.100 0.045 0.000 0.773 45 P CB 0.418 32.141 31.700 0.038 0.000 0.878 46 R N -1.214 119.322 120.500 0.060 0.000 2.615 46 R HA 0.007 4.502 4.340 0.044 -0.128 0.270 46 R C -0.625 175.706 176.300 0.051 0.000 1.081 46 R CA -0.003 56.131 56.100 0.058 0.000 1.154 46 R CB 1.012 31.359 30.300 0.079 0.000 1.063 46 R HN -0.595 7.933 8.270 0.072 -0.215 0.519 47 Q N 0.075 119.891 119.800 0.026 0.000 2.215 47 Q HA 0.302 4.651 4.340 0.015 0.000 0.256 47 Q C 1.041 177.036 176.000 -0.007 0.000 0.972 47 Q CA -2.063 53.740 55.803 0.001 0.000 0.889 47 Q CB 1.832 30.545 28.738 -0.041 0.000 1.281 47 Q HN 0.005 8.619 8.270 0.019 -0.333 0.456 48 I N 3.424 123.983 120.570 -0.019 0.000 2.335 48 I HA -0.438 3.777 4.170 0.075 0.000 0.251 48 I C 1.504 177.473 176.117 -0.248 0.000 1.129 48 I CA 2.632 63.920 61.300 -0.021 0.000 1.402 48 I CB 0.185 38.206 38.000 0.035 0.000 1.069 48 I HN 0.656 8.859 8.210 -0.012 0.000 0.424 49 E N -2.197 117.722 120.200 -0.468 0.000 2.409 49 E HA -0.235 2.899 4.350 -2.027 0.000 0.198 49 E C 0.701 177.155 176.600 -0.243 0.000 1.024 49 E CA 2.433 58.333 56.400 -0.834 0.000 0.861 49 E CB -1.072 28.340 29.700 -0.481 0.000 0.788 49 E HN 0.369 8.507 8.360 -0.314 0.033 0.521 50 E N -4.040 116.120 120.200 -0.066 0.000 2.435 50 E HA -0.096 4.291 4.350 0.061 0.000 0.195 50 E C -0.218 176.463 176.600 0.136 0.000 1.029 50 E CA 0.924 57.355 56.400 0.052 0.000 0.865 50 E CB 0.664 30.392 29.700 0.046 0.000 0.833 50 E HN -0.688 7.568 8.360 -0.083 0.054 0.510 51 I N -0.595 120.100 120.570 0.209 0.000 2.354 51 I HA 0.199 4.621 4.170 0.186 -0.141 0.292 51 I C -0.057 176.311 176.117 0.418 0.000 0.989 51 I CA -3.069 58.394 61.300 0.272 0.000 1.188 51 I CB -0.138 38.056 38.000 0.324 0.000 1.342 51 I HN -0.336 7.809 8.210 0.178 0.172 0.457 52 G N 3.877 112.807 108.800 0.218 0.000 3.126 52 G HA2 0.048 4.216 3.960 0.346 0.000 0.224 52 G HA3 0.048 4.101 3.960 0.154 0.000 0.224 52 G C -1.487 173.433 174.900 0.033 0.000 1.142 52 G CA -0.546 44.678 45.100 0.207 0.000 0.759 52 G HN 0.059 9.040 8.290 0.127 -0.614 0.550 53 S N -4.834 110.622 115.700 -0.407 0.000 2.595 53 S HA 0.101 4.296 4.470 -0.459 0.000 0.270 53 S C -0.376 173.631 174.600 -0.988 0.000 1.145 53 S CA -1.720 56.139 58.200 -0.568 0.000 0.825 53 S CB 1.784 64.901 63.200 -0.138 0.000 1.107 53 S HN -1.098 6.936 8.310 -0.460 0.000 0.461 54 F N 2.061 121.619 119.950 -0.654 0.000 2.269 54 F HA -0.311 4.086 4.527 -0.217 0.000 0.301 54 F C 1.056 176.846 175.800 -0.017 0.000 1.082 54 F CA 4.783 62.664 58.000 -0.198 0.000 1.360 54 F CB 0.198 39.273 39.000 0.125 0.000 1.041 54 F HN 0.803 9.017 8.300 -0.144 0.000 0.512 55 D N -2.402 118.079 120.400 0.135 0.000 2.097 55 D HA -0.337 4.407 4.640 0.173 0.000 0.197 55 D C 1.075 177.407 176.300 0.053 0.000 0.984 55 D CA 3.660 57.730 54.000 0.117 0.000 0.826 55 D CB -0.628 40.225 40.800 0.090 0.000 0.973 55 D HN -0.006 8.395 8.370 0.092 0.024 0.460 56 E N -1.855 118.339 120.200 -0.010 0.000 2.077 56 E HA -0.293 4.078 4.350 0.035 0.000 0.193 56 E C 2.461 179.086 176.600 0.042 0.000 0.989 56 E CA 2.519 58.927 56.400 0.012 0.000 0.800 56 E CB 0.209 29.911 29.700 0.003 0.000 0.746 56 E HN -0.540 7.788 8.360 -0.054 0.000 0.452 57 Y N 1.215 121.411 120.300 -0.172 0.000 2.241 57 Y HA -0.387 4.139 4.550 -0.039 0.000 0.286 57 Y C 1.080 176.959 175.900 -0.035 0.000 1.166 57 Y CA 2.228 60.255 58.100 -0.122 0.000 1.203 57 Y CB -0.182 38.089 38.460 -0.315 0.000 0.977 57 Y HN -0.254 7.990 8.280 -0.060 0.000 0.529 58 S N -2.352 113.274 115.700 -0.124 0.000 2.607 58 S HA -0.243 4.056 4.470 -0.285 0.000 0.224 58 S C 1.192 175.765 174.600 -0.045 0.000 0.969 58 S CA 2.787 60.909 58.200 -0.129 0.000 0.927 58 S CB -0.856 62.363 63.200 0.032 0.000 0.772 58 S HN -0.457 7.691 8.310 -0.004 0.160 0.533 59 E N 2.655 122.853 120.200 -0.003 0.000 2.065 59 E HA -0.278 4.108 4.350 0.060 0.000 0.201 59 E C -0.547 176.076 176.600 0.038 0.000 1.016 59 E CA 4.811 61.234 56.400 0.039 0.000 0.818 59 E CB -1.802 27.929 29.700 0.052 0.000 0.749 59 E HN -0.140 8.036 8.360 -0.003 0.182 0.453 60 P HA -0.189 4.267 4.420 0.059 0.000 0.218 60 P C 1.531 178.860 177.300 0.049 0.000 1.148 60 P CA 2.528 65.651 63.100 0.038 0.000 0.822 60 P CB -0.459 31.258 31.700 0.028 0.000 0.784 61 L N -1.766 119.460 121.223 0.005 0.000 2.072 61 L HA -0.216 4.135 4.340 0.019 0.000 0.205 61 L C 1.248 178.177 176.870 0.099 0.000 1.079 61 L CA 3.130 57.985 54.840 0.024 0.000 0.752 61 L CB -0.288 41.745 42.059 -0.044 0.000 0.906 61 L HN -0.644 7.543 8.230 -0.032 0.023 0.436 62 L N -2.327 118.958 121.223 0.103 0.000 2.046 62 L HA -0.479 3.987 4.340 0.210 0.000 0.208 62 L C 2.185 179.091 176.870 0.059 0.000 1.077 62 L CA 3.534 58.474 54.840 0.167 0.000 0.747 62 L CB -0.954 41.242 42.059 0.228 0.000 0.896 62 L HN -0.466 7.814 8.230 0.084 0.000 0.432 63 T N 0.899 115.494 114.554 0.068 0.000 2.746 63 T HA -0.309 4.054 4.350 0.021 0.000 0.267 63 T C 1.920 176.606 174.700 -0.023 0.000 1.039 63 T CA 4.447 66.565 62.100 0.030 0.000 1.142 63 T CB -0.251 68.652 68.868 0.057 0.000 0.866 63 T HN 0.002 8.292 8.240 0.084 0.000 0.444 64 F N 2.880 122.770 119.950 -0.100 0.000 2.043 64 F HA -0.424 4.052 4.527 -0.085 0.000 0.297 64 F C 1.090 176.764 175.800 -0.209 0.000 1.121 64 F CA 3.531 61.459 58.000 -0.120 0.000 1.199 64 F CB -0.037 38.901 39.000 -0.104 0.000 0.968 64 F HN -0.632 7.779 8.300 0.184 0.000 0.478 65 L N -3.005 118.008 121.223 -0.350 0.000 2.042 65 L HA -0.553 3.374 4.340 -0.687 0.000 0.210 65 L C 2.293 178.649 176.870 -0.858 0.000 1.076 65 L CA 2.815 57.258 54.840 -0.661 0.000 0.749 65 L CB -0.493 41.198 42.059 -0.614 0.000 0.893 65 L HN -0.348 7.832 8.230 -0.083 0.000 0.432 66 E N -1.622 118.101 120.200 -0.796 0.000 2.130 66 E HA -0.449 3.627 4.350 -0.457 0.000 0.196 66 E C 1.470 177.898 176.600 -0.287 0.000 0.998 66 E CA 2.690 58.826 56.400 -0.439 0.000 0.806 66 E CB 0.009 29.639 29.700 -0.116 0.000 0.738 66 E HN -0.177 7.774 8.360 -0.681 0.000 0.459 67 A N -1.928 120.700 122.820 -0.320 0.000 2.209 67 A HA -0.123 4.095 4.320 -0.170 0.000 0.212 67 A C 0.143 177.552 177.584 -0.292 0.000 1.158 67 A CA 0.478 52.362 52.037 -0.255 0.000 0.742 67 A CB -0.078 18.788 19.000 -0.222 0.000 0.790 67 A HN -0.663 7.015 8.150 -0.381 0.243 0.472 68 L N 0.228 121.213 121.223 -0.397 0.000 2.410 68 L HA 0.127 4.298 4.340 -0.283 0.000 0.273 68 L C -1.880 174.891 176.870 -0.166 0.000 1.144 68 L CA -2.001 52.657 54.840 -0.304 0.000 0.863 68 L CB -0.143 41.710 42.059 -0.343 0.000 1.140 68 L HN -0.762 6.969 8.230 -0.487 0.207 0.463 69 P HA 0.199 4.584 4.420 -0.058 0.000 0.270 69 P C -2.240 175.033 177.300 -0.046 0.000 1.223 69 P CA -1.164 61.899 63.100 -0.062 0.000 0.785 69 P CB -0.352 31.322 31.700 -0.042 0.000 0.923 70 P HA -0.123 4.292 4.420 -0.009 0.000 0.264 70 P C 0.401 177.695 177.300 -0.009 0.000 1.183 70 P CA 1.458 64.551 63.100 -0.011 0.000 0.763 70 P CB -0.060 31.639 31.700 -0.002 0.000 0.807 71 G N 2.386 111.184 108.800 -0.004 0.000 2.241 71 G HA2 -0.390 3.573 3.960 0.005 0.000 0.244 71 G HA3 -0.390 3.571 3.960 0.002 0.000 0.244 71 G C -0.629 174.270 174.900 -0.001 0.000 0.998 71 G CA -0.136 44.965 45.100 0.001 0.000 0.621 71 G HN 0.224 8.513 8.290 -0.001 0.000 0.519 72 E N 2.763 122.956 120.200 -0.012 0.000 2.259 72 E HA -0.007 4.347 4.350 0.007 0.000 0.281 72 E C -0.901 175.687 176.600 -0.021 0.000 1.037 72 E CA -0.050 56.345 56.400 -0.008 0.000 0.854 72 E CB 0.823 30.515 29.700 -0.013 0.000 1.051 72 E HN -0.441 7.828 8.360 -0.020 0.080 0.409 73 K N 3.634 124.029 120.400 -0.009 0.000 2.267 73 K HA 0.600 5.082 4.320 -0.032 -0.180 0.246 73 K C -1.007 175.562 176.600 -0.051 0.000 0.954 73 K CA -1.307 54.964 56.287 -0.025 0.000 0.824 73 K CB 2.609 35.103 32.500 -0.010 0.000 1.167 73 K HN 0.228 8.480 8.250 0.004 0.000 0.431 74 V N -3.929 115.933 119.914 -0.087 0.000 3.074 74 V HA 0.758 4.890 4.120 -0.169 -0.113 0.314 74 V C -1.801 174.202 176.094 -0.151 0.000 1.117 74 V CA -3.564 58.641 62.300 -0.158 0.000 1.014 74 V CB 3.488 35.183 31.823 -0.214 0.000 1.057 74 V HN 0.480 8.629 8.190 -0.069 0.000 0.438 75 I N 1.019 121.452 120.570 -0.228 0.000 2.330 75 I HA 0.391 4.673 4.170 -0.121 -0.185 0.289 75 I C -0.542 175.510 176.117 -0.109 0.000 1.001 75 I CA -1.215 59.984 61.300 -0.168 0.000 1.193 75 I CB 0.929 38.789 38.000 -0.233 0.000 1.345 75 I HN 0.035 8.065 8.210 -0.301 0.000 0.461 76 L N 7.731 128.883 121.223 -0.117 0.000 2.371 76 L HA 0.329 4.708 4.340 -0.183 -0.149 0.272 76 L C -0.793 175.964 176.870 -0.187 0.000 1.124 76 L CA -0.326 54.416 54.840 -0.164 0.000 0.816 76 L CB 0.897 42.858 42.059 -0.164 0.000 1.129 76 L HN 0.077 8.241 8.230 -0.109 0.000 0.448 77 V N 1.834 121.597 119.914 -0.251 0.000 2.447 77 V HA 0.667 4.858 4.120 -0.232 -0.210 0.292 77 V C -1.175 174.758 176.094 -0.268 0.000 1.021 77 V CA -1.710 60.423 62.300 -0.278 0.000 0.850 77 V CB 1.623 33.227 31.823 -0.366 0.000 1.005 77 V HN 0.469 8.488 8.190 -0.285 0.000 0.426 78 G N 5.622 114.314 108.800 -0.179 0.000 2.470 78 G HA2 0.704 4.857 3.960 0.006 0.000 0.320 78 G HA3 0.704 4.609 3.960 -0.091 0.000 0.320 78 G C -2.823 172.130 174.900 0.088 0.000 1.245 78 G CA -1.536 43.539 45.100 -0.043 0.000 0.935 78 G HN 0.739 8.889 8.290 -0.234 0.000 0.476 79 E N 3.302 123.583 120.200 0.134 0.000 2.204 79 E HA 0.756 5.399 4.350 0.099 -0.234 0.276 79 E C 0.599 177.213 176.600 0.022 0.000 0.974 79 E CA -2.296 54.116 56.400 0.021 0.000 0.815 79 E CB 2.451 31.980 29.700 -0.286 0.000 1.119 79 E HN -0.290 8.186 8.360 0.193 0.000 0.393 80 S N 0.615 116.302 115.700 -0.023 0.000 4.149 80 S HA -0.625 3.951 4.470 -0.096 -0.164 0.539 80 S C 1.336 176.152 174.600 0.361 0.000 1.811 80 S CA 2.515 60.723 58.200 0.013 0.000 4.174 80 S CB -1.620 61.497 63.200 -0.138 0.000 0.756 80 S HN -0.048 8.221 8.310 -0.068 0.000 0.470 81 C N 3.376 122.911 119.300 0.390 0.000 2.491 81 C HA -0.012 4.751 4.460 0.504 0.000 0.277 81 C C 2.768 178.020 174.990 0.437 0.000 1.455 81 C CA 1.335 60.647 59.018 0.490 0.000 1.758 81 C CB -1.454 26.649 27.740 0.605 0.000 1.745 81 C HN 0.085 8.510 8.230 0.325 0.000 0.558 82 G N 0.463 109.449 108.800 0.311 0.000 2.479 82 G HA2 -0.331 4.007 3.960 0.238 0.000 0.220 82 G HA3 -0.331 3.710 3.960 0.134 0.000 0.220 82 G C 0.543 175.538 174.900 0.158 0.000 1.115 82 G CA 2.234 47.460 45.100 0.210 0.000 0.757 82 G HN 0.436 8.667 8.290 0.265 0.217 0.560 83 G N 1.091 110.034 108.800 0.240 0.000 2.462 83 G HA2 -0.288 3.786 3.960 0.189 0.000 0.220 83 G HA3 -0.288 4.212 3.960 0.517 -0.229 0.220 83 G C 1.061 176.037 174.900 0.128 0.000 1.121 83 G CA 1.514 46.794 45.100 0.300 0.000 0.758 83 G HN -0.482 7.950 8.290 0.303 0.040 0.559 84 L N 0.452 121.702 121.223 0.046 0.000 2.156 84 L HA -0.391 3.778 4.340 -0.286 0.000 0.208 84 L C 1.625 178.452 176.870 -0.072 0.000 1.095 84 L CA 2.873 57.602 54.840 -0.185 0.000 0.770 84 L CB -0.214 41.484 42.059 -0.601 0.000 0.914 84 L HN -0.471 7.818 8.230 0.127 0.016 0.439 85 N N -0.233 118.561 118.700 0.156 0.000 2.166 85 N HA -0.283 4.580 4.740 0.205 0.000 0.186 85 N C 2.302 177.810 175.510 -0.004 0.000 1.019 85 N CA 3.651 56.781 53.050 0.134 0.000 0.856 85 N CB -0.150 38.387 38.487 0.084 0.000 0.993 85 N HN -0.668 7.860 8.380 0.246 0.000 0.426 86 I N 0.084 120.621 120.570 -0.054 0.000 2.179 86 I HA -0.544 3.590 4.170 -0.059 0.000 0.242 86 I C 1.219 177.267 176.117 -0.115 0.000 1.088 86 I CA 4.290 65.545 61.300 -0.076 0.000 1.357 86 I CB -0.254 37.669 38.000 -0.128 0.000 1.051 86 I HN -0.228 7.962 8.210 -0.032 0.000 0.409 87 A N -0.342 122.227 122.820 -0.418 0.000 1.902 87 A HA -0.341 3.425 4.320 -0.924 0.000 0.217 87 A C 2.001 179.258 177.584 -0.545 0.000 1.181 87 A CA 3.162 54.580 52.037 -1.030 0.000 0.623 87 A CB -0.846 16.738 19.000 -2.360 0.000 0.818 87 A HN -0.571 7.341 8.150 -0.396 0.000 0.443 88 I N -1.796 118.630 120.570 -0.240 0.000 2.163 88 I HA -0.612 3.706 4.170 0.246 0.000 0.243 88 I C 1.888 178.063 176.117 0.096 0.000 1.085 88 I CA 3.921 65.285 61.300 0.106 0.000 1.347 88 I CB -0.069 38.048 38.000 0.194 0.000 1.044 88 I HN -0.520 7.524 8.210 -0.277 0.000 0.408 89 A N -1.818 121.049 122.820 0.079 0.000 1.933 89 A HA -0.336 4.108 4.320 0.206 0.000 0.218 89 A C 1.769 179.451 177.584 0.163 0.000 1.175 89 A CA 3.008 55.136 52.037 0.151 0.000 0.628 89 A CB -0.849 18.225 19.000 0.124 0.000 0.814 89 A HN -0.106 8.069 8.150 0.041 0.000 0.444 90 A N -2.908 119.989 122.820 0.129 0.000 2.015 90 A HA -0.207 4.211 4.320 0.162 0.000 0.219 90 A C 1.173 178.848 177.584 0.151 0.000 1.163 90 A CA 2.580 54.717 52.037 0.167 0.000 0.646 90 A CB -0.524 18.633 19.000 0.262 0.000 0.806 90 A HN -0.127 8.077 8.150 0.089 0.000 0.448 91 D N -5.071 115.414 120.400 0.142 0.000 2.347 91 D HA -0.063 4.658 4.640 0.135 0.000 0.215 91 D C 0.691 177.001 176.300 0.016 0.000 0.976 91 D CA 1.757 55.831 54.000 0.124 0.000 0.884 91 D CB 0.115 41.032 40.800 0.195 0.000 0.915 91 D HN -0.602 7.824 8.370 0.134 0.024 0.526 92 K N -1.748 118.617 120.400 -0.058 0.000 2.365 92 K HA 0.091 4.227 4.320 -0.307 0.000 0.195 92 K C 0.751 176.969 176.600 -0.637 0.000 1.079 92 K CA 0.823 56.895 56.287 -0.359 0.000 0.979 92 K CB 2.209 34.446 32.500 -0.439 0.000 0.929 92 K HN -0.540 7.557 8.250 0.012 0.160 0.523 93 Y N -2.856 117.473 120.300 0.048 0.000 2.734 93 Y HA 0.380 5.045 4.550 0.023 -0.101 0.251 93 Y C 1.508 177.427 175.900 0.032 0.000 1.049 93 Y CA -1.515 56.603 58.100 0.030 0.000 1.103 93 Y CB -1.551 36.920 38.460 0.018 0.000 1.201 93 Y HN -0.332 7.978 8.280 0.051 0.000 0.618 94 C N 3.794 123.166 119.300 0.120 0.000 2.396 94 C HA -0.256 4.205 4.460 0.001 0.000 0.277 94 C C 1.091 176.132 174.990 0.086 0.000 1.231 94 C CA 1.537 60.616 59.018 0.101 0.000 1.775 94 C CB -0.616 27.170 27.740 0.076 0.000 2.036 94 C HN 0.169 nan 8.230 nan 0.000 0.484 95 E N -1.125 119.125 120.200 0.084 0.000 2.418 95 E HA -0.253 4.128 4.350 0.051 0.000 0.197 95 E C -0.260 176.374 176.600 0.057 0.000 1.026 95 E CA 1.286 57.724 56.400 0.063 0.000 0.862 95 E CB -0.927 28.807 29.700 0.057 0.000 0.799 95 E HN 0.502 8.891 8.360 0.092 0.026 0.518 96 K N -3.517 116.928 120.400 0.075 0.000 2.374 96 K HA 0.164 4.494 4.320 0.016 0.000 0.196 96 K C -1.203 175.405 176.600 0.015 0.000 1.023 96 K CA -0.517 55.790 56.287 0.033 0.000 1.103 96 K CB 0.623 33.133 32.500 0.017 0.000 0.848 96 K HN -0.558 7.529 8.250 0.112 0.231 0.528 97 I N -0.480 120.108 120.570 0.031 0.000 2.354 97 I HA 0.267 4.584 4.170 -0.011 -0.153 0.286 97 I C -0.418 175.701 176.117 0.002 0.000 1.007 97 I CA -1.134 60.172 61.300 0.011 0.000 1.167 97 I CB 0.728 38.748 38.000 0.033 0.000 1.320 97 I HN -0.637 7.534 8.210 0.048 0.068 0.458 98 A N 8.167 130.978 122.820 -0.015 0.000 1.929 98 A HA -0.101 4.233 4.320 0.023 0.000 0.216 98 A C -1.022 176.554 177.584 -0.012 0.000 1.176 98 A CA 1.803 53.843 52.037 0.005 0.000 0.628 98 A CB 1.026 20.029 19.000 0.004 0.000 0.816 98 A HN 0.537 8.668 8.150 -0.033 0.000 0.444 99 A N -7.174 115.612 122.820 -0.056 0.000 2.586 99 A HA 0.272 4.615 4.320 -0.145 -0.109 0.291 99 A C -2.880 174.649 177.584 -0.092 0.000 1.062 99 A CA -0.268 51.695 52.037 -0.124 0.000 0.666 99 A CB 2.654 21.521 19.000 -0.222 0.000 1.281 99 A HN -0.964 7.154 8.150 -0.055 0.000 0.421 100 A N -1.115 121.652 122.820 -0.088 0.000 2.343 100 A HA 0.912 5.304 4.320 -0.168 -0.173 0.316 100 A C -2.183 175.323 177.584 -0.129 0.000 1.104 100 A CA -2.021 49.930 52.037 -0.144 0.000 0.768 100 A CB 3.262 22.167 19.000 -0.159 0.000 1.213 100 A HN 0.498 8.597 8.150 -0.085 0.000 0.456 101 V N 2.539 122.327 119.914 -0.209 0.000 2.384 101 V HA 0.694 5.066 4.120 0.094 -0.196 0.287 101 V C -1.330 174.619 176.094 -0.242 0.000 1.020 101 V CA -2.304 59.955 62.300 -0.068 0.000 0.850 101 V CB 1.369 33.195 31.823 0.006 0.000 0.987 101 V HN 0.677 8.720 8.190 -0.245 0.000 0.436 102 F N 6.517 126.498 119.950 0.053 0.000 2.405 102 F HA 0.309 4.995 4.527 0.062 -0.123 0.355 102 F C -1.161 174.613 175.800 -0.044 0.000 1.121 102 F CA -0.797 57.208 58.000 0.010 0.000 1.112 102 F CB 1.509 40.500 39.000 -0.015 0.000 1.126 102 F HN 0.713 9.246 8.300 0.388 0.000 0.481 103 H N 5.732 124.812 119.070 0.016 0.000 2.786 103 H HA 0.394 5.035 4.556 -0.038 -0.108 0.284 103 H C -0.387 174.885 175.328 -0.092 0.000 1.104 103 H CA -1.350 54.678 56.048 -0.033 0.000 1.339 103 H CB 0.616 30.392 29.762 0.023 0.000 1.427 103 H HN 0.491 8.906 8.280 0.225 0.000 0.497 104 N N 7.319 125.962 118.700 -0.094 0.000 2.699 104 N HA -0.481 4.515 4.740 0.136 -0.174 0.256 104 N C -1.656 173.919 175.510 0.109 0.000 0.993 104 N CA 1.800 54.857 53.050 0.011 0.000 0.759 104 N CB -1.357 37.048 38.487 -0.137 0.000 0.906 104 N HN 0.302 8.592 8.380 -0.149 0.000 0.541 105 S N -3.472 112.379 115.700 0.251 0.000 2.568 105 S HA 0.349 5.415 4.470 0.465 -0.317 0.302 105 S C -0.632 174.381 174.600 0.688 0.000 1.082 105 S CA -1.845 56.638 58.200 0.471 0.000 1.009 105 S CB 2.435 65.889 63.200 0.422 0.000 1.069 105 S HN -0.495 7.866 8.310 0.085 0.000 0.500 106 V N -1.585 118.788 119.914 0.765 0.000 2.872 106 V HA -0.102 4.545 4.120 0.582 -0.178 0.307 106 V C -1.423 174.933 176.094 0.435 0.000 1.072 106 V CA 0.359 63.004 62.300 0.576 0.000 1.148 106 V CB 0.359 32.470 31.823 0.480 0.000 0.954 106 V HN 0.307 8.873 8.190 0.802 0.105 0.490 107 L N 5.337 126.720 121.223 0.267 0.000 2.457 107 L HA 0.607 4.924 4.340 -0.038 0.000 0.252 107 L C -2.520 174.423 176.870 0.122 0.000 1.132 107 L CA -3.355 51.522 54.840 0.062 0.000 0.938 107 L CB 0.410 42.437 42.059 -0.054 0.000 1.246 107 L HN 0.108 8.836 8.230 0.268 -0.337 0.476 108 P HA 0.063 4.572 4.420 0.148 0.000 0.271 108 P C -1.666 175.668 177.300 0.056 0.000 1.233 108 P CA -0.570 62.586 63.100 0.094 0.000 0.789 108 P CB 0.901 32.530 31.700 -0.118 0.000 0.951 109 D N -1.616 118.749 120.400 -0.058 0.000 2.727 109 D HA 0.279 4.307 4.640 -1.018 0.000 0.264 109 D C -0.384 175.832 176.300 -0.139 0.000 1.101 109 D CA -1.262 52.423 54.000 -0.525 0.000 1.122 109 D CB 2.496 42.886 40.800 -0.682 0.000 1.390 109 D HN -0.057 8.345 8.370 0.053 0.000 0.606 110 T N -8.310 106.111 114.554 -0.223 0.000 3.010 110 T HA 0.118 4.657 4.350 0.149 -0.099 0.257 110 T C -0.194 174.521 174.700 0.025 0.000 1.020 110 T CA 0.406 62.529 62.100 0.037 0.000 0.938 110 T CB 1.228 70.163 68.868 0.113 0.000 1.049 110 T HN -0.095 7.872 8.240 -0.454 0.000 0.522 111 E N -0.626 119.483 120.200 -0.152 0.000 2.415 111 E HA 0.072 4.383 4.350 -0.065 0.000 0.197 111 E C -0.172 176.166 176.600 -0.436 0.000 1.007 111 E CA 0.478 56.730 56.400 -0.246 0.000 0.890 111 E CB 0.712 30.165 29.700 -0.412 0.000 0.891 111 E HN 0.164 8.504 8.360 -0.221 -0.113 0.496 112 H N -0.971 117.873 119.070 -0.377 0.000 2.737 112 H HA 0.125 4.429 4.556 -0.421 0.000 0.358 112 H C -1.580 173.036 175.328 -1.186 0.000 1.187 112 H CA -1.082 54.578 56.048 -0.647 0.000 1.221 112 H CB 2.853 31.981 29.762 -1.056 0.000 1.799 112 H HN -0.411 7.910 8.280 -0.366 -0.260 0.568 113 C N 0.189 118.955 119.300 -0.890 0.000 2.705 113 C HA 0.136 3.261 4.460 -2.226 0.000 0.382 113 C C 0.542 175.235 174.990 -0.494 0.000 1.322 113 C CA -2.550 55.818 59.018 -1.084 0.000 2.290 113 C CB -0.652 26.868 27.740 -0.367 0.000 2.650 113 C HN 0.341 8.315 8.230 -0.427 0.000 0.695 114 P HA -0.206 4.131 4.420 -0.139 0.000 0.219 114 P C 0.050 177.342 177.300 -0.012 0.000 1.146 114 P CA 2.404 65.363 63.100 -0.236 0.000 0.808 114 P CB 0.150 31.576 31.700 -0.457 0.000 0.779 115 S N -3.981 111.715 115.700 -0.008 0.000 2.561 115 S HA -0.204 4.299 4.470 0.055 0.000 0.225 115 S C 0.861 175.527 174.600 0.110 0.000 0.977 115 S CA 1.277 59.508 58.200 0.053 0.000 0.926 115 S CB -0.463 62.761 63.200 0.040 0.000 0.769 115 S HN -0.642 7.606 8.310 -0.051 0.031 0.533 116 Y N 4.106 124.401 120.300 -0.008 0.000 2.102 116 Y HA -0.377 4.175 4.550 0.004 0.000 0.280 116 Y C 1.481 177.451 175.900 0.116 0.000 1.178 116 Y CA 3.826 61.942 58.100 0.026 0.000 1.146 116 Y CB 0.108 38.569 38.460 0.001 0.000 0.968 116 Y HN -0.306 8.028 8.280 0.202 0.067 0.504 117 V N -6.406 113.631 119.914 0.206 0.000 2.871 117 V HA -0.227 4.025 4.120 0.221 0.000 0.256 117 V C 1.375 177.561 176.094 0.153 0.000 1.082 117 V CA 2.983 65.438 62.300 0.259 0.000 1.105 117 V CB -0.203 31.872 31.823 0.419 0.000 0.713 117 V HN -0.272 8.082 8.190 0.274 0.000 0.473 118 V N 2.439 122.403 119.914 0.082 0.000 2.379 118 V HA -0.455 3.663 4.120 -0.004 0.000 0.245 118 V C 1.834 177.882 176.094 -0.077 0.000 1.044 118 V CA 3.672 65.979 62.300 0.012 0.000 1.036 118 V CB -0.969 30.891 31.823 0.061 0.000 0.664 118 V HN -0.786 7.448 8.190 0.106 0.020 0.453 119 D N 0.213 120.564 120.400 -0.082 0.000 2.116 119 D HA -0.358 4.217 4.640 -0.107 0.000 0.193 119 D C 2.452 178.615 176.300 -0.228 0.000 0.998 119 D CA 3.627 57.549 54.000 -0.130 0.000 0.836 119 D CB -0.749 39.991 40.800 -0.101 0.000 0.951 119 D HN -0.049 8.295 8.370 -0.043 0.000 0.449 120 K N -0.413 119.783 120.400 -0.341 0.000 2.057 120 K HA -0.225 3.789 4.320 -0.510 0.000 0.206 120 K C 2.026 178.363 176.600 -0.438 0.000 1.050 120 K CA 2.124 58.101 56.287 -0.517 0.000 0.935 120 K CB -0.308 31.581 32.500 -1.020 0.000 0.715 120 K HN -0.738 7.320 8.250 -0.320 0.000 0.439 121 L N 0.300 121.215 121.223 -0.512 0.000 2.043 121 L HA -0.366 3.177 4.340 -1.329 0.000 0.212 121 L C 1.467 178.141 176.870 -0.327 0.000 1.075 121 L CA 3.434 57.762 54.840 -0.853 0.000 0.752 121 L CB -0.235 41.255 42.059 -0.949 0.000 0.891 121 L HN -0.186 7.820 8.230 -0.372 0.000 0.432 122 M N -4.839 114.668 119.600 -0.155 0.000 2.374 122 M HA -0.250 4.321 4.480 0.151 0.000 0.264 122 M C 2.227 178.497 176.300 -0.051 0.000 1.067 122 M CA 0.774 56.068 55.300 -0.009 0.000 1.103 122 M CB -1.650 30.916 32.600 -0.057 0.000 1.402 122 M HN -0.281 7.897 8.290 -0.186 0.000 0.444 123 E N 0.281 120.399 120.200 -0.138 0.000 2.072 123 E HA -0.233 4.054 4.350 -0.105 0.000 0.190 123 E C 1.824 178.358 176.600 -0.111 0.000 0.982 123 E CA 2.656 58.975 56.400 -0.134 0.000 0.803 123 E CB 0.049 29.636 29.700 -0.189 0.000 0.755 123 E HN -0.774 7.343 8.360 -0.191 0.130 0.453 124 V N -1.969 117.866 119.914 -0.132 0.000 2.453 124 V HA -0.231 3.853 4.120 -0.061 0.000 0.247 124 V C 0.303 176.415 176.094 0.029 0.000 1.048 124 V CA 3.135 65.394 62.300 -0.067 0.000 1.049 124 V CB 0.721 32.497 31.823 -0.079 0.000 0.672 124 V HN -0.578 7.497 8.190 -0.193 0.000 0.457 125 F N -0.405 119.476 119.950 -0.115 0.000 2.660 125 F HA 0.562 5.055 4.527 -0.057 0.000 0.352 125 F C -2.714 173.157 175.800 0.118 0.000 1.257 125 F CA -3.172 54.792 58.000 -0.060 0.000 1.200 125 F CB 2.080 40.976 39.000 -0.173 0.000 1.473 125 F HN -0.177 8.161 8.300 0.063 0.000 0.561 126 P HA 0.188 4.914 4.420 0.132 -0.227 0.227 126 P C -0.967 176.396 177.300 0.104 0.000 1.161 126 P CA 0.776 63.902 63.100 0.043 0.000 0.788 126 P CB 0.232 31.901 31.700 -0.052 0.000 0.822 127 D N -1.004 119.313 120.400 -0.139 0.000 2.460 127 D HA -0.014 4.685 4.640 0.098 0.000 0.232 127 D C -0.871 175.460 176.300 0.052 0.000 1.079 127 D CA -1.169 52.807 54.000 -0.041 0.000 0.864 127 D CB -0.483 40.220 40.800 -0.162 0.000 1.048 127 D HN -0.349 7.683 8.370 -0.487 0.046 0.523 128 W N 4.153 125.481 121.300 0.046 0.000 3.391 128 W HA 0.050 4.916 4.660 0.344 0.000 0.372 128 W C -0.451 176.161 176.519 0.156 0.000 1.171 128 W CA -1.465 56.011 57.345 0.218 0.000 1.862 128 W CB -0.476 29.159 29.460 0.292 0.000 1.048 128 W HN 0.322 8.852 8.180 0.584 0.000 0.726 129 K N -1.310 119.240 120.400 0.249 0.000 1.979 129 K HA -0.428 4.029 4.320 0.116 -0.067 0.143 129 K C -0.570 176.124 176.600 0.157 0.000 1.185 129 K CA 2.154 58.537 56.287 0.161 0.000 0.336 129 K CB -1.730 30.858 32.500 0.146 0.000 0.680 129 K HN -0.102 8.479 8.250 0.207 -0.206 0.783 130 D N -1.894 118.586 120.400 0.134 0.000 2.328 130 D HA 0.021 4.706 4.640 0.074 0.000 0.226 130 D C 0.526 176.858 176.300 0.054 0.000 1.066 130 D CA -0.145 53.905 54.000 0.083 0.000 0.861 130 D CB -0.488 40.350 40.800 0.064 0.000 0.912 130 D HN 0.107 8.564 8.370 0.144 0.000 0.521 131 T N 4.316 118.927 114.554 0.096 0.000 2.946 131 T HA -0.150 4.400 4.350 -0.029 -0.218 0.311 131 T C 0.416 174.981 174.700 -0.225 0.000 1.063 131 T CA 2.641 64.721 62.100 -0.035 0.000 1.139 131 T CB 0.446 69.353 68.868 0.065 0.000 0.994 131 T HN -0.461 7.812 8.240 0.173 0.071 0.547 132 T N 3.572 117.941 114.554 -0.307 0.000 2.925 132 T HA 0.308 4.573 4.350 -0.141 0.000 0.285 132 T C -1.632 172.800 174.700 -0.446 0.000 1.021 132 T CA -1.876 60.080 62.100 -0.241 0.000 1.042 132 T CB 2.315 71.144 68.868 -0.066 0.000 1.037 132 T HN 0.243 8.335 8.240 -0.246 0.000 0.481 133 Y N 0.091 120.436 120.300 0.075 0.000 2.570 133 Y HA 0.707 5.413 4.550 -0.027 -0.172 0.345 133 Y C -0.429 175.561 175.900 0.150 0.000 1.014 133 Y CA -1.771 56.340 58.100 0.020 0.000 1.063 133 Y CB 3.960 42.368 38.460 -0.088 0.000 1.272 133 Y HN 0.017 8.386 8.280 0.149 0.000 0.477 134 F N -2.213 117.822 119.950 0.142 0.000 2.711 134 F HA 0.544 5.119 4.527 0.080 0.000 0.313 134 F C -2.394 173.458 175.800 0.085 0.000 1.141 134 F CA -1.602 56.453 58.000 0.092 0.000 0.941 134 F CB 2.527 41.569 39.000 0.069 0.000 1.349 134 F HN 0.403 8.567 8.300 -0.227 0.000 0.464 135 T N -1.640 113.041 114.554 0.212 0.000 2.887 135 T HA 0.810 5.280 4.350 -0.122 -0.193 0.288 135 T C -1.531 173.341 174.700 0.287 0.000 1.021 135 T CA -1.860 60.278 62.100 0.062 0.000 1.000 135 T CB 2.424 71.289 68.868 -0.006 0.000 1.034 135 T HN 0.031 8.461 8.240 0.317 0.000 0.467 136 Y N -0.815 119.534 120.300 0.081 0.000 2.644 136 Y HA 0.385 5.006 4.550 0.118 0.000 0.338 136 Y C -2.362 173.578 175.900 0.067 0.000 1.119 136 Y CA -2.039 56.130 58.100 0.115 0.000 1.060 136 Y CB 2.031 40.598 38.460 0.178 0.000 1.294 136 Y HN 0.482 8.627 8.280 -0.225 0.000 0.472 137 T N 2.408 117.089 114.554 0.210 0.000 2.797 137 T HA 0.750 5.290 4.350 -0.020 -0.203 0.279 137 T C -0.517 174.303 174.700 0.199 0.000 0.991 137 T CA -0.490 61.667 62.100 0.095 0.000 0.979 137 T CB 1.257 70.172 68.868 0.079 0.000 0.943 137 T HN -0.019 8.409 8.240 0.313 0.000 0.444 138 K N 5.694 126.176 120.400 0.137 0.000 2.535 138 K HA 0.224 4.650 4.320 0.177 0.000 0.251 138 K C -1.079 175.587 176.600 0.110 0.000 0.942 138 K CA -0.699 55.697 56.287 0.182 0.000 0.798 138 K CB 2.447 35.135 32.500 0.312 0.000 1.267 138 K HN 0.421 8.704 8.250 0.055 0.000 0.434 139 D N 5.807 126.263 120.400 0.094 0.000 2.708 139 D HA -0.295 4.382 4.640 0.062 0.000 0.236 139 D C -0.046 176.284 176.300 0.050 0.000 1.146 139 D CA 1.106 55.146 54.000 0.067 0.000 0.662 139 D CB -1.376 39.465 40.800 0.067 0.000 1.059 139 D HN 0.678 9.109 8.370 0.101 0.000 0.428 140 G N -5.462 103.366 108.800 0.046 0.000 2.184 140 G HA2 -0.470 3.509 3.960 0.031 0.000 0.264 140 G HA3 -0.470 3.507 3.960 0.028 0.000 0.264 140 G C -0.929 173.982 174.900 0.019 0.000 0.975 140 G CA 0.048 45.167 45.100 0.031 0.000 0.642 140 G HN 0.066 8.363 8.290 0.055 0.026 0.536 141 K N 0.814 121.223 120.400 0.015 0.000 2.259 141 K HA 0.314 4.628 4.320 -0.010 0.000 0.249 141 K C -1.716 174.853 176.600 -0.052 0.000 0.942 141 K CA -2.047 54.234 56.287 -0.009 0.000 0.816 141 K CB 2.039 34.540 32.500 0.002 0.000 1.155 141 K HN -0.590 7.614 8.250 0.028 0.063 0.428 142 E N 3.828 123.983 120.200 -0.075 0.000 2.194 142 E HA 0.303 4.721 4.350 -0.146 -0.155 0.284 142 E C -0.604 175.867 176.600 -0.216 0.000 1.035 142 E CA -0.496 55.825 56.400 -0.132 0.000 0.836 142 E CB 0.711 30.355 29.700 -0.093 0.000 1.070 142 E HN 0.300 8.626 8.360 -0.056 0.000 0.401 143 I N 8.151 128.473 120.570 -0.412 0.000 2.441 143 I HA 0.239 4.201 4.170 -0.346 0.000 0.295 143 I C -0.977 174.802 176.117 -0.562 0.000 0.994 143 I CA -1.025 59.950 61.300 -0.543 0.000 1.144 143 I CB 3.372 40.870 38.000 -0.836 0.000 1.314 143 I HN 0.776 8.695 8.210 -0.485 0.000 0.445 144 T N 8.819 123.119 114.554 -0.423 0.000 2.728 144 T HA 0.410 4.691 4.350 -0.385 -0.162 0.296 144 T C -0.077 174.321 174.700 -0.502 0.000 0.940 144 T CA 0.252 62.115 62.100 -0.395 0.000 1.013 144 T CB 0.174 68.869 68.868 -0.288 0.000 0.912 144 T HN 0.356 8.378 8.240 -0.363 0.000 0.484 145 G N 4.124 112.439 108.800 -0.809 0.000 2.451 145 G HA2 0.794 4.526 3.960 -0.616 0.000 0.303 145 G HA3 0.794 3.628 3.960 -1.875 0.000 0.303 145 G C -2.323 172.120 174.900 -0.763 0.000 1.166 145 G CA -1.635 42.822 45.100 -1.071 0.000 0.884 145 G HN 0.473 8.213 8.290 -0.918 0.000 0.514 146 L N -6.503 114.529 121.223 -0.318 0.000 2.424 146 L HA 1.047 5.438 4.340 -0.210 -0.177 0.258 146 L C -2.457 174.446 176.870 0.055 0.000 0.995 146 L CA -1.577 53.167 54.840 -0.161 0.000 0.821 146 L CB 4.242 46.157 42.059 -0.239 0.000 1.383 146 L HN 0.462 8.552 8.230 -0.234 0.000 0.410 147 K N 0.860 121.261 120.400 0.001 0.000 2.502 147 K HA 0.429 4.805 4.320 0.093 0.000 0.254 147 K C -1.319 175.292 176.600 0.020 0.000 0.947 147 K CA -1.851 54.465 56.287 0.048 0.000 0.834 147 K CB 2.990 35.510 32.500 0.033 0.000 1.112 147 K HN 0.126 8.307 8.250 -0.115 0.000 0.427 148 L N 6.219 127.518 121.223 0.126 0.000 2.499 148 L HA -0.144 4.330 4.340 0.224 0.000 0.273 148 L C 0.890 177.871 176.870 0.185 0.000 1.195 148 L CA 0.317 55.283 54.840 0.209 0.000 0.882 148 L CB -0.041 42.199 42.059 0.301 0.000 1.133 148 L HN 0.415 8.735 8.230 0.150 0.000 0.483 149 G N 1.047 109.952 108.800 0.175 0.000 2.442 149 G HA2 0.035 4.006 3.960 0.019 0.000 0.249 149 G HA3 0.035 4.226 3.960 0.130 -0.153 0.249 149 G C 0.370 175.467 174.900 0.328 0.000 1.263 149 G CA -0.654 44.531 45.100 0.142 0.000 0.846 149 G HN -0.148 8.260 8.290 0.197 0.000 0.555 150 F N 3.005 123.015 119.950 0.100 0.000 2.234 150 F HA -0.167 4.454 4.527 0.156 0.000 0.299 150 F C 1.827 177.749 175.800 0.203 0.000 1.087 150 F CA 0.522 58.611 58.000 0.148 0.000 1.340 150 F CB -0.620 38.440 39.000 0.099 0.000 1.031 150 F HN 0.336 8.767 8.300 0.166 -0.031 0.500 151 T N 2.637 117.381 114.554 0.317 0.000 2.777 151 T HA -0.299 4.158 4.350 0.178 0.000 0.266 151 T C 1.534 176.339 174.700 0.175 0.000 1.040 151 T CA 4.600 66.819 62.100 0.198 0.000 1.141 151 T CB 0.105 69.057 68.868 0.139 0.000 0.868 151 T HN -0.053 8.818 8.240 0.281 -0.462 0.444 152 L N 2.796 124.140 121.223 0.202 0.000 2.012 152 L HA -0.255 4.180 4.340 0.158 0.000 0.210 152 L C 1.913 178.904 176.870 0.201 0.000 1.073 152 L CA 3.200 58.151 54.840 0.186 0.000 0.748 152 L CB -0.305 41.878 42.059 0.207 0.000 0.891 152 L HN -0.511 8.116 8.230 0.211 -0.270 0.431 153 L N -2.500 118.901 121.223 0.297 0.000 2.012 153 L HA -0.541 4.068 4.340 0.449 0.000 0.210 153 L C 2.006 179.078 176.870 0.336 0.000 1.073 153 L CA 3.306 58.388 54.840 0.403 0.000 0.748 153 L CB -0.736 41.571 42.059 0.413 0.000 0.891 153 L HN 0.001 8.424 8.230 0.322 0.000 0.431 154 R N -1.872 118.710 120.500 0.137 0.000 2.075 154 R HA -0.346 3.629 4.340 -0.608 0.000 0.232 154 R C 2.001 178.238 176.300 -0.105 0.000 1.126 154 R CA 2.843 58.761 56.100 -0.303 0.000 0.963 154 R CB -0.386 29.627 30.300 -0.479 0.000 0.858 154 R HN -0.351 8.048 8.270 0.214 0.000 0.435 155 E N -4.076 116.123 120.200 -0.003 0.000 2.216 155 E HA -0.099 4.240 4.350 -0.019 0.000 0.192 155 E C 1.794 178.411 176.600 0.029 0.000 0.973 155 E CA 2.479 58.884 56.400 0.008 0.000 0.851 155 E CB 0.645 30.364 29.700 0.032 0.000 0.804 155 E HN -0.119 8.266 8.360 0.040 0.000 0.477 156 N N -1.616 117.108 118.700 0.040 0.000 2.460 156 N HA 0.082 4.810 4.740 -0.021 0.000 0.193 156 N C 0.758 176.215 175.510 -0.089 0.000 1.080 156 N CA 2.423 55.456 53.050 -0.028 0.000 0.869 156 N CB 1.590 40.039 38.487 -0.063 0.000 1.201 156 N HN -0.168 8.252 8.380 0.067 0.000 0.457 157 L N -1.152 120.078 121.223 0.011 0.000 2.286 157 L HA -0.032 4.233 4.340 -0.125 0.000 0.203 157 L C -0.138 176.683 176.870 -0.081 0.000 1.068 157 L CA 2.402 57.231 54.840 -0.019 0.000 0.811 157 L CB 1.164 43.297 42.059 0.124 0.000 0.989 157 L HN -0.698 7.595 8.230 0.104 0.000 0.467 158 Y N -5.359 114.987 120.300 0.077 0.000 2.720 158 Y HA 0.387 4.985 4.550 0.080 0.000 0.277 158 Y C 0.809 176.708 175.900 -0.001 0.000 1.144 158 Y CA -1.299 56.844 58.100 0.072 0.000 1.221 158 Y CB -1.306 37.247 38.460 0.156 0.000 1.163 158 Y HN -0.109 8.381 8.280 0.350 0.000 0.537 159 T N 2.292 116.891 114.554 0.075 0.000 2.649 159 T HA -0.286 4.230 4.350 0.005 -0.163 0.268 159 T C 0.765 175.474 174.700 0.014 0.000 1.036 159 T CA 4.517 66.630 62.100 0.022 0.000 1.157 159 T CB -0.223 68.651 68.868 0.011 0.000 0.861 159 T HN -0.025 8.170 8.240 0.055 0.078 0.445 160 L N -2.778 118.460 121.223 0.024 0.000 2.857 160 L HA 0.219 4.566 4.340 0.011 0.000 0.249 160 L C -0.371 176.523 176.870 0.040 0.000 1.172 160 L CA -0.829 54.022 54.840 0.019 0.000 0.980 160 L CB 0.864 42.925 42.059 0.003 0.000 1.299 160 L HN -0.425 8.158 8.230 0.025 -0.338 0.535 161 C N 0.137 119.487 119.300 0.084 0.000 2.604 161 C HA 0.073 4.593 4.460 0.101 0.000 0.396 161 C C 0.943 176.001 174.990 0.112 0.000 1.282 161 C CA 0.885 59.982 59.018 0.132 0.000 2.292 161 C CB 0.915 28.822 27.740 0.278 0.000 2.633 161 C HN -0.549 7.563 8.230 0.099 0.177 0.620 162 G N 0.107 108.972 108.800 0.109 0.000 2.606 162 G HA2 0.252 4.249 3.960 0.063 0.000 0.252 162 G HA3 0.252 4.257 3.960 0.076 0.000 0.252 162 G C -1.408 173.555 174.900 0.105 0.000 1.206 162 G CA -1.704 43.447 45.100 0.085 0.000 0.861 162 G HN 0.397 8.756 8.290 0.113 0.000 0.561 163 P HA -0.201 4.311 4.420 0.155 0.000 0.220 163 P C 1.130 178.472 177.300 0.071 0.000 1.148 163 P CA 1.865 65.026 63.100 0.101 0.000 0.803 163 P CB 0.229 31.966 31.700 0.061 0.000 0.782 164 E N -2.834 117.395 120.200 0.048 0.000 2.208 164 E HA -0.186 4.150 4.350 -0.022 0.000 0.193 164 E C 2.422 179.033 176.600 0.018 0.000 0.988 164 E CA 3.341 59.749 56.400 0.014 0.000 0.828 164 E CB -0.866 28.850 29.700 0.027 0.000 0.763 164 E HN 0.676 9.030 8.360 0.057 0.040 0.478 165 E N 0.128 120.384 120.200 0.092 0.000 2.086 165 E HA -0.125 4.313 4.350 0.146 0.000 0.190 165 E C 1.787 178.412 176.600 0.042 0.000 0.975 165 E CA 1.697 58.188 56.400 0.151 0.000 0.813 165 E CB 0.026 29.890 29.700 0.273 0.000 0.768 165 E HN -0.557 7.750 8.360 0.112 0.121 0.457 166 Y N 1.058 121.293 120.300 -0.107 0.000 2.207 166 Y HA -0.444 3.746 4.550 -0.599 0.000 0.287 166 Y C 1.565 177.240 175.900 -0.376 0.000 1.156 166 Y CA 2.827 60.728 58.100 -0.332 0.000 1.182 166 Y CB 0.047 38.395 38.460 -0.187 0.000 0.979 166 Y HN -0.152 8.250 8.280 0.204 0.000 0.521 167 E N -0.425 119.542 120.200 -0.389 0.000 2.077 167 E HA -0.374 3.573 4.350 -0.673 0.000 0.193 167 E C 2.223 178.512 176.600 -0.519 0.000 0.989 167 E CA 2.964 59.068 56.400 -0.494 0.000 0.800 167 E CB -0.809 28.724 29.700 -0.278 0.000 0.746 167 E HN -0.392 7.857 8.360 -0.168 0.010 0.452 168 L N -1.652 119.321 121.223 -0.416 0.000 2.042 168 L HA -0.374 3.648 4.340 -0.529 0.000 0.210 168 L C 1.987 178.408 176.870 -0.750 0.000 1.076 168 L CA 3.167 57.691 54.840 -0.527 0.000 0.749 168 L CB -0.339 41.481 42.059 -0.399 0.000 0.893 168 L HN -0.733 7.314 8.230 -0.307 0.000 0.432 169 A N -1.574 120.864 122.820 -0.637 0.000 1.902 169 A HA -0.356 3.680 4.320 -0.472 0.000 0.217 169 A C 2.129 179.339 177.584 -0.622 0.000 1.181 169 A CA 3.073 54.767 52.037 -0.572 0.000 0.623 169 A CB -0.744 17.810 19.000 -0.743 0.000 0.818 169 A HN -0.447 7.282 8.150 -0.554 0.089 0.443 170 K N -2.458 117.427 120.400 -0.858 0.000 2.057 170 K HA -0.286 3.365 4.320 -1.115 0.000 0.207 170 K C 2.311 178.583 176.600 -0.546 0.000 1.049 170 K CA 2.644 58.321 56.287 -1.018 0.000 0.931 170 K CB -0.048 31.596 32.500 -1.428 0.000 0.714 170 K HN -0.521 7.151 8.250 -0.963 0.000 0.440 171 M N -2.734 116.558 119.600 -0.513 0.000 2.200 171 M HA -0.270 4.040 4.480 -0.283 0.000 0.265 171 M C 1.691 177.769 176.300 -0.371 0.000 1.066 171 M CA 3.151 58.224 55.300 -0.380 0.000 1.127 171 M CB 0.658 33.022 32.600 -0.392 0.000 1.379 171 M HN -0.437 7.499 8.290 -0.590 0.000 0.420 172 L N -5.996 114.898 121.223 -0.549 0.000 2.642 172 L HA 0.219 4.310 4.340 -0.416 0.000 0.233 172 L C 0.525 177.232 176.870 -0.272 0.000 1.077 172 L CA -0.370 54.121 54.840 -0.581 0.000 0.879 172 L CB 1.170 42.433 42.059 -1.328 0.000 1.151 172 L HN -0.342 7.496 8.230 -0.653 0.000 0.495 173 T N 0.413 114.857 114.554 -0.183 0.000 2.940 173 T HA -0.153 4.427 4.350 0.100 -0.170 0.309 173 T C -0.353 174.368 174.700 0.034 0.000 1.056 173 T CA 1.109 63.212 62.100 0.005 0.000 1.137 173 T CB 0.710 69.563 68.868 -0.026 0.000 0.976 173 T HN -0.473 7.591 8.240 -0.293 0.000 0.547 174 R N 1.350 121.897 120.500 0.079 0.000 2.912 174 R HA 0.312 4.680 4.340 0.046 0.000 0.262 174 R C -0.826 175.533 176.300 0.098 0.000 1.057 174 R CA -2.019 54.125 56.100 0.072 0.000 0.981 174 R CB 3.962 34.309 30.300 0.078 0.000 1.201 174 R HN -0.140 8.191 8.270 0.102 0.000 0.484 175 K N -0.525 119.929 120.400 0.091 0.000 2.485 175 K HA 0.016 4.635 4.320 0.183 -0.189 0.277 175 K C -0.047 176.640 176.600 0.146 0.000 0.990 175 K CA 0.337 56.722 56.287 0.163 0.000 0.994 175 K CB 0.168 32.775 32.500 0.178 0.000 0.906 175 K HN 0.143 8.427 8.250 0.057 0.000 0.488 176 G N 2.608 111.479 108.800 0.118 0.000 2.782 176 G HA2 0.315 4.271 3.960 -0.008 0.000 0.304 176 G HA3 0.315 4.276 3.960 0.000 0.000 0.304 176 G C -2.889 171.911 174.900 -0.166 0.000 1.315 176 G CA -1.010 44.086 45.100 -0.007 0.000 0.791 176 G HN 0.345 8.718 8.290 0.138 0.000 0.519 177 S N -1.871 113.599 115.700 -0.382 0.000 2.537 177 S HA 0.266 4.482 4.470 -0.424 0.000 0.271 177 S C -0.888 173.404 174.600 -0.513 0.000 1.148 177 S CA -0.663 57.165 58.200 -0.619 0.000 0.868 177 S CB 1.779 64.272 63.200 -1.179 0.000 1.115 177 S HN -0.036 8.038 8.310 -0.393 0.000 0.461 178 L N 2.054 123.139 121.223 -0.229 0.000 2.341 178 L HA 0.029 4.585 4.340 0.361 0.000 0.214 178 L C 0.467 177.568 176.870 0.385 0.000 1.115 178 L CA 1.085 56.017 54.840 0.153 0.000 0.820 178 L CB 0.832 42.959 42.059 0.115 0.000 0.944 178 L HN 0.720 8.801 8.230 -0.248 0.000 0.452 179 F N -5.863 114.165 119.950 0.130 0.000 3.074 179 F HA -0.489 4.052 4.527 0.023 0.000 0.287 179 F C 0.414 176.281 175.800 0.113 0.000 0.932 179 F CA 0.348 58.416 58.000 0.114 0.000 0.995 179 F CB -3.064 36.063 39.000 0.211 0.000 0.966 179 F HN -0.839 7.278 8.300 -0.306 0.000 0.721 180 Q N 0.353 120.239 119.800 0.143 0.000 2.084 180 Q HA -0.494 3.927 4.340 0.136 0.000 0.202 180 Q C 1.001 177.044 176.000 0.071 0.000 0.978 180 Q CA 3.997 59.858 55.803 0.096 0.000 0.844 180 Q CB 0.192 28.934 28.738 0.007 0.000 0.898 180 Q HN 0.363 8.662 8.270 0.050 0.000 0.426 181 N N -2.130 116.594 118.700 0.040 0.000 2.331 181 N HA -0.212 4.538 4.740 0.017 0.000 0.180 181 N C 1.396 176.940 175.510 0.057 0.000 1.019 181 N CA 2.488 55.554 53.050 0.025 0.000 0.881 181 N CB -1.361 37.119 38.487 -0.011 0.000 0.972 181 N HN 0.057 8.449 8.380 0.021 0.000 0.435 182 I N -0.058 120.578 120.570 0.110 0.000 2.333 182 I HA -0.231 3.987 4.170 0.080 0.000 0.246 182 I C 2.269 178.445 176.117 0.099 0.000 1.106 182 I CA 1.330 62.699 61.300 0.116 0.000 1.411 182 I CB -0.894 37.211 38.000 0.176 0.000 1.082 182 I HN -0.920 7.257 8.210 0.142 0.119 0.420 183 L N -0.037 121.264 121.223 0.130 0.000 2.081 183 L HA -0.438 3.927 4.340 0.041 0.000 0.212 183 L C 2.839 179.717 176.870 0.013 0.000 1.080 183 L CA 3.183 58.062 54.840 0.064 0.000 0.754 183 L CB -0.922 41.184 42.059 0.078 0.000 0.893 183 L HN 0.183 8.526 8.230 0.189 0.000 0.433 184 A N -2.671 120.170 122.820 0.034 0.000 2.019 184 A HA -0.193 4.138 4.320 0.018 0.000 0.219 184 A C 0.634 178.240 177.584 0.037 0.000 1.164 184 A CA 2.332 54.386 52.037 0.028 0.000 0.644 184 A CB -0.369 18.649 19.000 0.031 0.000 0.805 184 A HN -0.282 7.879 8.150 0.051 0.020 0.449 185 K N -4.674 115.748 120.400 0.036 0.000 2.358 185 K HA 0.095 4.446 4.320 0.052 0.000 0.197 185 K C -0.440 176.180 176.600 0.033 0.000 1.025 185 K CA -0.710 55.601 56.287 0.040 0.000 1.104 185 K CB 0.766 33.285 32.500 0.032 0.000 0.855 185 K HN -0.640 7.494 8.250 0.036 0.138 0.531 186 R N 1.873 122.379 120.500 0.009 0.000 2.543 186 R HA 0.101 4.436 4.340 -0.009 0.000 0.277 186 R C -2.179 174.119 176.300 -0.003 0.000 1.074 186 R CA -1.435 54.650 56.100 -0.024 0.000 1.076 186 R CB 0.205 30.454 30.300 -0.084 0.000 0.993 186 R HN -0.884 7.212 8.270 0.001 0.174 0.459 187 P HA -0.100 4.357 4.420 0.060 0.000 0.266 187 P C -1.223 176.090 177.300 0.022 0.000 1.193 187 P CA 0.122 63.238 63.100 0.026 0.000 0.770 187 P CB 0.454 32.146 31.700 -0.014 0.000 0.836 188 F N 0.147 119.970 119.950 -0.212 0.000 2.545 188 F HA -0.149 4.158 4.527 -0.366 0.000 0.348 188 F C 0.947 176.598 175.800 -0.249 0.000 1.163 188 F CA -0.840 57.005 58.000 -0.258 0.000 1.331 188 F CB 0.149 39.074 39.000 -0.125 0.000 1.138 188 F HN -0.318 8.174 8.300 0.320 0.000 0.602 189 F N 2.152 122.179 119.950 0.129 0.000 2.563 189 F HA -0.040 4.701 4.527 0.081 -0.166 0.363 189 F C 1.120 177.024 175.800 0.173 0.000 1.123 189 F CA 0.441 58.502 58.000 0.102 0.000 1.307 189 F CB 0.066 39.072 39.000 0.010 0.000 1.115 189 F HN 0.436 8.526 8.300 -0.350 0.000 0.592 190 T N -0.024 114.745 114.554 0.358 0.000 2.909 190 T HA 0.168 4.635 4.350 0.195 0.000 0.289 190 T C 0.952 175.787 174.700 0.225 0.000 1.005 190 T CA -1.070 61.169 62.100 0.232 0.000 1.084 190 T CB 2.285 71.248 68.868 0.158 0.000 0.975 190 T HN 0.189 9.135 8.240 0.394 -0.470 0.509 191 K N 3.573 124.062 120.400 0.148 0.000 2.097 191 K HA -0.290 4.108 4.320 0.129 0.000 0.205 191 K C 1.387 178.041 176.600 0.090 0.000 1.050 191 K CA 3.400 59.755 56.287 0.114 0.000 0.938 191 K CB -0.392 32.154 32.500 0.076 0.000 0.718 191 K HN 0.545 8.871 8.250 0.126 0.000 0.442 192 E N -2.968 117.281 120.200 0.082 0.000 2.208 192 E HA -0.140 4.240 4.350 0.049 0.000 0.193 192 E C 1.138 177.782 176.600 0.073 0.000 0.988 192 E CA 1.639 58.077 56.400 0.062 0.000 0.828 192 E CB -0.449 29.280 29.700 0.049 0.000 0.763 192 E HN -0.027 8.384 8.360 0.084 0.000 0.478 193 G N -1.361 107.506 108.800 0.111 0.000 2.548 193 G HA2 -0.016 4.002 3.960 0.096 0.000 0.221 193 G HA3 -0.016 4.167 3.960 0.144 -0.136 0.221 193 G C 0.046 175.045 174.900 0.165 0.000 1.796 193 G CA 0.214 45.390 45.100 0.128 0.000 0.889 193 G HN -0.504 7.834 8.290 0.131 0.031 0.599 194 Y N 4.900 125.257 120.300 0.095 0.000 2.114 194 Y HA -0.397 4.197 4.550 0.073 0.000 0.282 194 Y C 2.275 178.252 175.900 0.128 0.000 1.165 194 Y CA 2.340 60.495 58.100 0.092 0.000 1.148 194 Y CB -0.012 38.484 38.460 0.060 0.000 0.972 194 Y HN 0.051 8.877 8.280 0.340 -0.343 0.504 195 G N -4.543 104.273 108.800 0.028 0.000 2.448 195 G HA2 -0.422 3.474 3.960 -0.106 0.000 0.219 195 G HA3 -0.422 3.644 3.960 0.059 -0.070 0.219 195 G C 1.077 175.938 174.900 -0.064 0.000 1.127 195 G CA 1.740 46.817 45.100 -0.038 0.000 0.766 195 G HN 0.190 8.584 8.290 0.174 0.000 0.552 196 S N 0.164 115.849 115.700 -0.024 0.000 2.496 196 S HA -0.136 4.321 4.470 -0.023 0.000 0.224 196 S C 0.663 175.239 174.600 -0.041 0.000 0.996 196 S CA 1.050 59.239 58.200 -0.019 0.000 0.927 196 S CB 0.227 63.435 63.200 0.013 0.000 0.774 196 S HN -0.487 7.682 8.310 0.010 0.146 0.524 197 I N -2.803 117.730 120.570 -0.061 0.000 2.720 197 I HA 0.105 4.259 4.170 -0.026 0.000 0.287 197 I C -0.604 175.457 176.117 -0.092 0.000 1.090 197 I CA 0.030 61.301 61.300 -0.047 0.000 1.384 197 I CB 1.097 39.097 38.000 0.000 0.000 1.420 197 I HN -0.920 7.194 8.210 -0.085 0.045 0.575 198 K N 4.447 124.780 120.400 -0.112 0.000 2.368 198 K HA -0.011 4.381 4.320 -0.175 -0.177 0.282 198 K C -0.305 176.194 176.600 -0.168 0.000 1.035 198 K CA -0.082 56.079 56.287 -0.211 0.000 0.973 198 K CB -0.257 31.985 32.500 -0.431 0.000 0.957 198 K HN 0.305 8.499 8.250 -0.092 0.000 0.474 199 K N 3.552 123.885 120.400 -0.112 0.000 2.502 199 K HA 0.665 5.320 4.320 0.252 -0.183 0.254 199 K C -1.319 175.344 176.600 0.105 0.000 0.947 199 K CA -0.992 55.358 56.287 0.105 0.000 0.834 199 K CB 2.451 34.986 32.500 0.059 0.000 1.112 199 K HN 0.201 8.680 8.250 -0.154 -0.322 0.427 200 I N 3.761 124.476 120.570 0.242 0.000 2.362 200 I HA 0.383 4.894 4.170 0.240 -0.197 0.289 200 I C -1.662 174.716 176.117 0.434 0.000 0.994 200 I CA -1.089 60.380 61.300 0.283 0.000 1.158 200 I CB 2.247 40.404 38.000 0.262 0.000 1.315 200 I HN 0.645 9.035 8.210 0.301 0.000 0.451 201 Y N 8.996 129.453 120.300 0.263 0.000 2.342 201 Y HA 0.218 4.977 4.550 0.349 0.000 0.338 201 Y C -2.207 173.901 175.900 0.346 0.000 0.965 201 Y CA -1.466 56.791 58.100 0.263 0.000 1.159 201 Y CB 2.257 40.753 38.460 0.059 0.000 1.157 201 Y HN 0.662 9.192 8.280 0.416 0.000 0.486 202 V N 8.431 128.424 119.914 0.133 0.000 2.459 202 V HA 0.880 5.472 4.120 0.386 -0.241 0.295 202 V C -1.325 174.864 176.094 0.158 0.000 1.029 202 V CA -1.846 60.580 62.300 0.210 0.000 0.874 202 V CB 2.155 34.025 31.823 0.080 0.000 0.985 202 V HN 0.676 8.834 8.190 -0.054 0.000 0.438 203 W N 3.896 125.188 121.300 -0.014 0.000 3.005 203 W HA 0.804 5.571 4.660 -0.108 -0.171 0.343 203 W C -2.952 173.576 176.519 0.016 0.000 1.243 203 W CA -1.839 55.501 57.345 -0.009 0.000 1.186 203 W CB 2.936 32.506 29.460 0.183 0.000 1.453 203 W HN 0.672 9.059 8.180 0.345 0.000 0.575 204 T N 0.793 115.272 114.554 -0.125 0.000 2.841 204 T HA 0.503 4.596 4.350 -0.619 -0.115 0.283 204 T C 0.245 174.781 174.700 -0.273 0.000 1.000 204 T CA -2.421 59.462 62.100 -0.363 0.000 0.977 204 T CB 2.635 71.388 68.868 -0.190 0.000 0.979 204 T HN -0.197 8.335 8.240 0.118 -0.221 0.446 205 D N 7.479 127.572 120.400 -0.511 0.000 2.363 205 D HA -0.098 4.622 4.640 0.133 0.000 0.226 205 D C 0.451 176.757 176.300 0.009 0.000 1.020 205 D CA 0.824 54.739 54.000 -0.142 0.000 0.892 205 D CB -1.256 39.436 40.800 -0.180 0.000 0.900 205 D HN 0.697 8.674 8.370 -0.656 0.000 0.531 206 Q N -2.567 117.217 119.800 -0.028 0.000 2.360 206 Q HA 0.012 4.365 4.340 0.022 0.000 0.202 206 Q C -0.063 175.965 176.000 0.047 0.000 0.915 206 Q CA 0.146 55.955 55.803 0.009 0.000 0.943 206 Q CB 0.393 29.117 28.738 -0.023 0.000 1.064 206 Q HN -0.565 7.588 8.270 -0.086 0.066 0.511 207 D N 2.340 122.797 120.400 0.096 0.000 2.434 207 D HA -0.170 4.524 4.640 0.090 0.000 0.252 207 D C 0.237 176.589 176.300 0.087 0.000 1.185 207 D CA 0.936 55.010 54.000 0.123 0.000 0.886 207 D CB 0.839 41.788 40.800 0.249 0.000 1.148 207 D HN -0.903 7.465 8.370 0.119 0.073 0.483 208 E N 4.987 125.193 120.200 0.010 0.000 2.465 208 E HA 0.049 4.427 4.350 0.046 0.000 0.191 208 E C -0.279 176.227 176.600 -0.157 0.000 1.053 208 E CA 0.812 57.206 56.400 -0.010 0.000 0.869 208 E CB -0.435 29.270 29.700 0.008 0.000 0.977 208 E HN 0.379 8.737 8.360 -0.002 0.000 0.483 209 I N -2.455 117.910 120.570 -0.342 0.000 4.046 209 I HA 0.026 3.423 4.170 -1.289 0.000 0.285 209 I C -0.934 174.965 176.117 -0.364 0.000 1.183 209 I CA 1.053 61.848 61.300 -0.842 0.000 1.337 209 I CB 2.776 40.101 38.000 -1.125 0.000 1.478 209 I HN -0.140 8.179 8.210 -0.239 -0.253 0.452 210 F N 1.570 121.326 119.950 -0.325 0.000 2.567 210 F HA 0.033 4.568 4.527 0.012 0.000 0.352 210 F C -0.776 175.145 175.800 0.203 0.000 1.229 210 F CA -1.399 56.635 58.000 0.058 0.000 1.228 210 F CB -2.029 37.143 39.000 0.286 0.000 1.568 210 F HN -0.552 8.045 8.300 0.043 -0.270 0.634 211 L N 1.233 122.625 121.223 0.281 0.000 2.476 211 L HA 0.139 4.792 4.340 0.249 -0.164 0.264 211 L C -0.140 176.927 176.870 0.329 0.000 1.224 211 L CA -1.523 53.478 54.840 0.268 0.000 0.821 211 L CB -0.675 41.510 42.059 0.211 0.000 1.101 211 L HN -0.772 7.552 8.230 0.189 0.019 0.488 212 P HA -0.298 4.416 4.420 0.491 0.000 0.216 212 P C 1.483 178.901 177.300 0.198 0.000 1.153 212 P CA 3.096 66.411 63.100 0.359 0.000 0.858 212 P CB 0.051 31.970 31.700 0.364 0.000 0.789 213 E N -2.996 117.311 120.200 0.179 0.000 2.085 213 E HA -0.283 4.136 4.350 0.115 0.000 0.194 213 E C 2.115 178.807 176.600 0.154 0.000 0.994 213 E CA 3.172 59.653 56.400 0.135 0.000 0.801 213 E CB -0.539 29.226 29.700 0.108 0.000 0.743 213 E HN 0.453 8.914 8.360 0.187 0.010 0.453 214 F N 0.494 120.460 119.950 0.026 0.000 2.113 214 F HA -0.283 4.224 4.527 -0.034 0.000 0.297 214 F C 1.705 177.555 175.800 0.082 0.000 1.103 214 F CA 2.865 60.867 58.000 0.003 0.000 1.248 214 F CB 0.158 39.099 39.000 -0.098 0.000 0.999 214 F HN -0.688 7.782 8.300 0.297 0.009 0.475 215 Q N -0.734 118.999 119.800 -0.111 0.000 2.079 215 Q HA -0.336 3.773 4.340 -0.384 0.000 0.200 215 Q C 2.724 178.379 176.000 -0.575 0.000 0.974 215 Q CA 3.241 58.846 55.803 -0.330 0.000 0.840 215 Q CB 0.180 28.833 28.738 -0.141 0.000 0.898 215 Q HN -0.247 8.096 8.270 0.121 0.000 0.430 216 L N -1.908 119.044 121.223 -0.450 0.000 2.141 216 L HA -0.279 3.725 4.340 -0.560 0.000 0.209 216 L C 2.039 178.763 176.870 -0.243 0.000 1.094 216 L CA 2.816 57.423 54.840 -0.388 0.000 0.763 216 L CB -0.464 41.489 42.059 -0.175 0.000 0.908 216 L HN -0.029 8.016 8.230 -0.308 0.000 0.437 217 W N -0.161 120.945 121.300 -0.324 0.000 2.381 217 W HA -0.465 4.076 4.660 -0.198 0.000 0.301 217 W C 1.398 177.711 176.519 -0.343 0.000 1.205 217 W CA 4.172 61.356 57.345 -0.268 0.000 1.285 217 W CB 0.008 29.346 29.460 -0.203 0.000 1.133 217 W HN -0.540 7.663 8.180 0.039 0.000 0.521 218 Q N -2.124 117.448 119.800 -0.380 0.000 2.084 218 Q HA -0.453 3.450 4.340 -0.729 0.000 0.202 218 Q C 2.713 178.336 176.000 -0.627 0.000 0.978 218 Q CA 3.575 59.028 55.803 -0.584 0.000 0.844 218 Q CB 0.035 28.471 28.738 -0.503 0.000 0.898 218 Q HN -0.328 7.770 8.270 -0.287 0.000 0.426 219 I N -0.510 119.635 120.570 -0.707 0.000 2.226 219 I HA -0.454 3.290 4.170 -0.709 0.000 0.245 219 I C 1.906 177.754 176.117 -0.448 0.000 1.100 219 I CA 4.211 65.115 61.300 -0.660 0.000 1.374 219 I CB -0.024 37.555 38.000 -0.702 0.000 1.057 219 I HN -0.305 7.469 8.210 -0.728 0.000 0.413 220 E N -0.915 119.034 120.200 -0.418 0.000 2.077 220 E HA -0.348 3.844 4.350 -0.262 0.000 0.193 220 E C 1.927 178.318 176.600 -0.347 0.000 0.989 220 E CA 2.756 58.957 56.400 -0.331 0.000 0.800 220 E CB -0.154 29.372 29.700 -0.289 0.000 0.746 220 E HN -0.510 7.584 8.360 -0.443 0.000 0.452 221 N N -1.885 116.505 118.700 -0.517 0.000 2.166 221 N HA -0.252 4.256 4.740 -0.387 0.000 0.186 221 N C -0.201 175.220 175.510 -0.148 0.000 1.019 221 N CA 2.206 54.979 53.050 -0.461 0.000 0.856 221 N CB 0.816 38.772 38.487 -0.884 0.000 0.993 221 N HN -0.505 7.400 8.380 -0.649 0.085 0.426 222 Y N -0.745 119.356 120.300 -0.331 0.000 2.359 222 Y HA 0.035 4.475 4.550 -0.184 0.000 0.336 222 Y C -2.142 173.604 175.900 -0.256 0.000 1.098 222 Y CA -1.468 56.492 58.100 -0.233 0.000 1.272 222 Y CB 1.162 39.510 38.460 -0.186 0.000 1.112 222 Y HN -0.629 7.515 8.280 -0.226 0.000 0.481 223 K N 8.594 128.787 120.400 -0.345 0.000 2.412 223 K HA 0.136 4.432 4.320 -0.309 -0.162 0.284 223 K C -1.508 174.845 176.600 -0.412 0.000 1.046 223 K CA -1.539 54.547 56.287 -0.334 0.000 0.999 223 K CB 0.123 32.481 32.500 -0.237 0.000 0.941 223 K HN -0.026 8.061 8.250 -0.272 0.000 0.474 224 P HA 0.031 4.265 4.420 -0.310 0.000 0.272 224 P C -0.963 176.237 177.300 -0.167 0.000 1.230 224 P CA -0.767 62.184 63.100 -0.247 0.000 0.788 224 P CB 0.777 32.405 31.700 -0.120 0.000 0.949 225 D N -0.017 120.313 120.400 -0.117 0.000 2.219 225 D HA -0.200 4.403 4.640 -0.062 0.000 0.205 225 D C 0.075 176.384 176.300 0.016 0.000 0.970 225 D CA 2.392 56.364 54.000 -0.046 0.000 0.851 225 D CB 0.705 41.487 40.800 -0.029 0.000 0.943 225 D HN 0.168 8.462 8.370 -0.127 0.000 0.488 226 K N -2.868 117.552 120.400 0.033 0.000 2.557 226 K HA 0.192 4.499 4.320 -0.023 0.000 0.261 226 K C -2.752 173.882 176.600 0.057 0.000 0.932 226 K CA -0.955 55.347 56.287 0.025 0.000 0.829 226 K CB 3.000 35.557 32.500 0.095 0.000 1.358 226 K HN -0.745 7.499 8.250 0.034 0.027 0.430 227 V N 4.055 123.962 119.914 -0.012 0.000 2.540 227 V HA 0.690 5.187 4.120 0.286 -0.205 0.302 227 V C -0.700 175.403 176.094 0.015 0.000 1.035 227 V CA -1.299 61.081 62.300 0.133 0.000 0.873 227 V CB 1.774 33.684 31.823 0.145 0.000 0.992 227 V HN 0.180 8.315 8.190 -0.090 0.000 0.428 228 Y N 6.490 126.949 120.300 0.264 0.000 2.331 228 Y HA 0.171 4.807 4.550 0.143 0.000 0.334 228 Y C -1.696 174.310 175.900 0.176 0.000 0.960 228 Y CA -1.341 56.866 58.100 0.179 0.000 1.130 228 Y CB 3.119 41.650 38.460 0.119 0.000 1.164 228 Y HN 0.619 9.215 8.280 0.527 0.000 0.458 229 K N 4.771 125.279 120.400 0.180 0.000 2.240 229 K HA 0.505 4.807 4.320 -0.347 -0.190 0.271 229 K C -0.869 175.648 176.600 -0.137 0.000 1.018 229 K CA -1.157 55.031 56.287 -0.166 0.000 0.874 229 K CB 1.552 33.887 32.500 -0.276 0.000 1.098 229 K HN 0.255 8.608 8.250 0.172 0.000 0.458 230 V N 8.608 128.397 119.914 -0.208 0.000 2.432 230 V HA 0.046 4.109 4.120 -0.095 0.000 0.275 230 V C -0.883 175.095 176.094 -0.193 0.000 1.043 230 V CA -1.122 61.087 62.300 -0.151 0.000 0.925 230 V CB 0.955 32.694 31.823 -0.141 0.000 0.985 230 V HN 0.824 8.845 8.190 -0.282 0.000 0.466 231 E N 7.000 127.120 120.200 -0.133 0.000 2.316 231 E HA -0.046 4.210 4.350 -0.157 0.000 0.275 231 E C 0.371 176.910 176.600 -0.101 0.000 1.029 231 E CA -0.075 56.252 56.400 -0.123 0.000 0.871 231 E CB 0.517 30.168 29.700 -0.081 0.000 1.022 231 E HN 0.291 8.591 8.360 -0.100 0.000 0.418 232 G N 2.935 111.676 108.800 -0.098 0.000 2.553 232 G HA2 -0.356 3.696 3.960 -0.062 0.000 0.242 232 G HA3 -0.356 3.569 3.960 -0.059 0.000 0.242 232 G C -0.974 173.880 174.900 -0.077 0.000 1.277 232 G CA -0.391 44.666 45.100 -0.072 0.000 0.910 232 G HN 0.120 8.343 8.290 -0.111 0.000 0.576 233 G N 0.580 109.345 108.800 -0.057 0.000 2.601 233 G HA2 -0.370 3.563 3.960 -0.045 0.000 0.252 233 G HA3 -0.370 3.547 3.960 -0.072 0.000 0.252 233 G C -1.639 173.232 174.900 -0.049 0.000 1.294 233 G CA 0.143 45.209 45.100 -0.057 0.000 0.912 233 G HN -0.031 8.231 8.290 -0.047 0.000 0.574 234 D N -2.032 118.334 120.400 -0.057 0.000 2.812 234 D HA 0.222 4.851 4.640 -0.017 0.000 0.318 234 D C -0.908 175.363 176.300 -0.049 0.000 1.234 234 D CA -1.831 52.148 54.000 -0.035 0.000 0.989 234 D CB 1.631 42.416 40.800 -0.024 0.000 1.442 234 D HN -0.590 7.735 8.370 -0.075 0.000 0.537 235 H N -1.587 117.393 119.070 -0.151 0.000 2.422 235 H HA -0.292 4.293 4.556 -0.171 -0.132 0.298 235 H C 1.148 176.330 175.328 -0.244 0.000 1.098 235 H CA 3.111 59.035 56.048 -0.207 0.000 1.315 235 H CB 0.423 30.026 29.762 -0.266 0.000 1.382 235 H HN 0.276 8.590 8.280 0.058 0.000 0.523 236 K N 0.520 120.728 120.400 -0.320 0.000 2.518 236 K HA 0.136 4.285 4.320 -0.445 -0.096 0.244 236 K C -0.401 176.087 176.600 -0.187 0.000 1.232 236 K CA -1.981 54.086 56.287 -0.366 0.000 1.189 236 K CB -2.118 30.098 32.500 -0.474 0.000 1.737 236 K HN -0.566 7.678 8.250 -0.225 -0.129 0.333 237 L N 0.659 121.791 121.223 -0.152 0.000 2.191 237 L HA -0.358 3.909 4.340 -0.122 0.000 0.212 237 L C 1.506 178.384 176.870 0.013 0.000 1.103 237 L CA 2.733 57.498 54.840 -0.125 0.000 0.769 237 L CB -0.067 41.802 42.059 -0.317 0.000 0.908 237 L HN -0.612 7.440 8.230 -0.209 0.052 0.438 238 Q N -3.477 116.390 119.800 0.112 0.000 2.488 238 Q HA -0.225 4.190 4.340 0.124 0.000 0.211 238 Q C -0.329 175.640 176.000 -0.051 0.000 0.967 238 Q CA 2.015 57.849 55.803 0.051 0.000 0.926 238 Q CB -1.270 27.419 28.738 -0.081 0.000 0.992 238 Q HN 0.215 8.547 8.270 0.154 0.031 0.506 239 L N -4.570 116.610 121.223 -0.072 0.000 2.362 239 L HA 0.362 4.667 4.340 -0.060 0.000 0.204 239 L C 2.153 179.008 176.870 -0.025 0.000 1.060 239 L CA 1.162 55.976 54.840 -0.045 0.000 0.827 239 L CB 1.458 43.520 42.059 0.006 0.000 1.027 239 L HN -0.229 7.781 8.230 -0.086 0.169 0.474 240 T N -4.517 110.017 114.554 -0.034 0.000 3.054 240 T HA -0.020 4.323 4.350 -0.012 0.000 0.259 240 T C 0.779 175.459 174.700 -0.034 0.000 1.092 240 T CA 1.966 64.050 62.100 -0.027 0.000 1.121 240 T CB 0.478 69.326 68.868 -0.033 0.000 0.912 240 T HN -0.196 8.013 8.240 -0.052 0.000 0.489 241 K N 1.501 121.876 120.400 -0.041 0.000 3.165 241 K HA 0.497 4.878 4.320 -0.038 -0.084 0.206 241 K C -0.597 175.984 176.600 -0.032 0.000 1.123 241 K CA -1.429 54.832 56.287 -0.044 0.000 0.978 241 K CB 0.190 32.650 32.500 -0.066 0.000 0.749 241 K HN -0.317 7.808 8.250 -0.042 0.099 0.454 242 T N 3.702 118.241 114.554 -0.024 0.000 2.720 242 T HA -0.430 3.920 4.350 0.000 0.000 0.268 242 T C 1.448 176.133 174.700 -0.024 0.000 1.037 242 T CA 5.094 67.184 62.100 -0.017 0.000 1.144 242 T CB -0.052 68.799 68.868 -0.029 0.000 0.864 242 T HN 0.384 8.608 8.240 -0.027 0.000 0.444 243 K N 0.906 121.290 120.400 -0.026 0.000 2.057 243 K HA -0.307 3.999 4.320 -0.024 0.000 0.207 243 K C 1.872 178.451 176.600 -0.034 0.000 1.049 243 K CA 3.304 59.576 56.287 -0.025 0.000 0.931 243 K CB -0.339 32.150 32.500 -0.018 0.000 0.714 243 K HN 0.015 8.251 8.250 -0.024 0.000 0.440 244 E N -0.791 119.385 120.200 -0.039 0.000 2.077 244 E HA -0.246 4.244 4.350 -0.046 -0.167 0.193 244 E C 2.789 179.342 176.600 -0.078 0.000 0.989 244 E CA 3.347 59.716 56.400 -0.052 0.000 0.800 244 E CB -0.939 28.729 29.700 -0.053 0.000 0.746 244 E HN -0.169 8.169 8.360 -0.037 0.000 0.452 245 I N -0.696 119.834 120.570 -0.067 0.000 2.226 245 I HA -0.413 3.698 4.170 -0.099 0.000 0.245 245 I C 1.975 178.022 176.117 -0.117 0.000 1.100 245 I CA 2.360 63.617 61.300 -0.072 0.000 1.374 245 I CB -1.323 36.690 38.000 0.023 0.000 1.057 245 I HN -0.160 8.020 8.210 -0.050 0.000 0.413 246 A N -0.923 121.838 122.820 -0.098 0.000 1.933 246 A HA -0.365 3.840 4.320 -0.192 0.000 0.218 246 A C 1.899 179.428 177.584 -0.091 0.000 1.175 246 A CA 3.500 55.465 52.037 -0.119 0.000 0.628 246 A CB -1.032 17.929 19.000 -0.064 0.000 0.814 246 A HN -0.026 8.082 8.150 -0.070 0.000 0.444 247 E N -0.696 119.464 120.200 -0.067 0.000 2.106 247 E HA -0.297 4.047 4.350 -0.009 0.000 0.192 247 E C 2.368 178.911 176.600 -0.096 0.000 0.984 247 E CA 2.828 59.201 56.400 -0.045 0.000 0.806 247 E CB -0.024 29.658 29.700 -0.029 0.000 0.750 247 E HN -0.465 7.856 8.360 -0.065 0.000 0.458 248 I N 0.021 120.473 120.570 -0.197 0.000 2.179 248 I HA -0.499 3.388 4.170 -0.473 0.000 0.242 248 I C 1.836 177.796 176.117 -0.262 0.000 1.088 248 I CA 4.412 65.472 61.300 -0.400 0.000 1.357 248 I CB 0.089 37.741 38.000 -0.581 0.000 1.051 248 I HN -0.369 7.733 8.210 -0.180 0.000 0.409 249 L N -1.828 119.273 121.223 -0.204 0.000 2.083 249 L HA -0.475 3.825 4.340 -0.066 0.000 0.209 249 L C 2.160 179.048 176.870 0.030 0.000 1.083 249 L CA 3.023 57.764 54.840 -0.165 0.000 0.752 249 L CB -0.747 40.968 42.059 -0.573 0.000 0.899 249 L HN -0.209 7.888 8.230 -0.222 0.000 0.433 250 Q N -0.315 119.504 119.800 0.031 0.000 2.096 250 Q HA -0.451 4.054 4.340 0.275 0.000 0.204 250 Q C 1.912 178.004 176.000 0.153 0.000 0.982 250 Q CA 3.118 59.028 55.803 0.177 0.000 0.850 250 Q CB -0.603 28.247 28.738 0.187 0.000 0.901 250 Q HN 0.091 8.342 8.270 -0.031 0.000 0.422 251 E N -0.453 119.801 120.200 0.090 0.000 2.077 251 E HA -0.323 4.092 4.350 0.108 0.000 0.193 251 E C 2.383 179.080 176.600 0.162 0.000 0.989 251 E CA 2.886 59.355 56.400 0.115 0.000 0.800 251 E CB -0.084 29.692 29.700 0.126 0.000 0.746 251 E HN -0.709 7.675 8.360 0.040 0.000 0.452 252 V N -0.001 120.029 119.914 0.194 0.000 2.332 252 V HA -0.486 3.881 4.120 0.413 0.000 0.248 252 V C 1.923 178.178 176.094 0.268 0.000 1.055 252 V CA 4.116 66.604 62.300 0.314 0.000 1.038 252 V CB -0.805 31.196 31.823 0.296 0.000 0.651 252 V HN -0.196 8.072 8.190 0.130 0.000 0.450 253 A N -1.909 121.042 122.820 0.219 0.000 1.972 253 A HA -0.216 4.149 4.320 0.074 0.000 0.219 253 A C 0.849 178.496 177.584 0.105 0.000 1.169 253 A CA 2.421 54.540 52.037 0.136 0.000 0.635 253 A CB -0.251 18.853 19.000 0.174 0.000 0.810 253 A HN -0.235 8.066 8.150 0.252 0.000 0.446 254 D N -3.991 116.469 120.400 0.100 0.000 2.355 254 D HA 0.019 4.675 4.640 0.027 0.000 0.218 254 D C 0.790 177.075 176.300 -0.024 0.000 1.004 254 D CA 1.742 55.764 54.000 0.038 0.000 0.880 254 D CB 0.227 41.052 40.800 0.042 0.000 0.911 254 D HN -0.434 7.885 8.370 0.127 0.128 0.528 255 T N -0.075 114.443 114.554 -0.059 0.000 3.038 255 T HA 0.028 4.225 4.350 -0.256 0.000 0.244 255 T C -0.176 174.256 174.700 -0.447 0.000 1.016 255 T CA 1.743 63.662 62.100 -0.301 0.000 1.098 255 T CB 2.311 70.903 68.868 -0.461 0.000 0.954 255 T HN -0.571 7.496 8.240 0.018 0.183 0.469 256 Y N -0.127 120.194 120.300 0.035 0.000 2.350 256 Y HA 0.010 4.571 4.550 0.019 0.000 0.338 256 Y C -1.991 173.909 175.900 -0.001 0.000 0.961 256 Y CA -0.157 57.956 58.100 0.020 0.000 1.100 256 Y CB 1.241 39.719 38.460 0.030 0.000 1.179 256 Y HN -0.290 8.033 8.280 0.072 0.000 0.454 257 N N 0.000 118.778 118.700 0.131 0.000 1.763 257 N HA 0.000 4.774 4.740 0.057 0.000 0.220 257 N CA 0.000 53.090 53.050 0.066 0.000 0.885 257 N CB 0.000 38.506 38.487 0.031 0.000 1.341 257 N HN 0.000 8.460 8.380 0.133 0.000 0.667