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 1ezo_1_A DATA FIRST_RESID 1 DATA SEQUENCE KTEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 4.355 4.320 0.058 0.000 0.191 1 K C 0.000 176.627 176.600 0.046 0.000 0.988 1 K CA 0.000 56.316 56.287 0.049 0.000 0.838 1 K CB 0.000 32.520 32.500 0.034 0.000 1.064 2 T N 1.673 116.256 114.554 0.047 0.000 2.910 2 T HA 0.207 4.574 4.350 0.028 0.000 0.279 2 T C -0.235 174.465 174.700 0.000 0.000 0.989 2 T CA -0.928 61.188 62.100 0.027 0.000 0.968 2 T CB 0.902 69.787 68.868 0.029 0.000 1.135 2 T HN 0.157 8.431 8.240 0.057 0.000 0.562 3 E N 1.124 121.311 120.200 -0.022 0.000 2.256 3 E HA 0.221 4.556 4.350 -0.025 0.000 0.268 3 E C -0.252 176.312 176.600 -0.060 0.000 0.877 3 E CA -0.338 56.043 56.400 -0.032 0.000 0.757 3 E CB 1.753 31.440 29.700 -0.023 0.000 1.183 3 E HN 0.226 8.571 8.360 -0.026 0.000 0.418 4 E N 4.827 124.990 120.200 -0.062 0.000 4.072 4 E HA -0.504 3.803 4.350 -0.072 0.000 0.199 4 E C 0.395 176.917 176.600 -0.129 0.000 1.247 4 E CA 1.182 57.532 56.400 -0.084 0.000 2.229 4 E CB -0.530 29.122 29.700 -0.081 0.000 1.859 4 E HN 0.918 9.250 8.360 -0.047 0.000 0.321 5 G N 0.304 109.003 108.800 -0.169 0.000 2.323 5 G HA2 -0.439 3.338 3.960 -0.305 0.000 0.292 5 G HA3 -0.439 3.479 3.960 -0.308 -0.142 0.292 5 G C -1.421 173.294 174.900 -0.308 0.000 1.040 5 G CA 0.362 45.295 45.100 -0.278 0.000 0.942 5 G HN 0.041 8.212 8.290 -0.142 0.034 0.506 6 K N -0.533 119.722 120.400 -0.242 0.000 2.182 6 K HA 0.788 5.227 4.320 -0.235 -0.260 0.262 6 K C -1.397 175.052 176.600 -0.251 0.000 0.957 6 K CA -1.057 55.096 56.287 -0.222 0.000 0.842 6 K CB 2.624 35.035 32.500 -0.148 0.000 1.099 6 K HN -0.377 7.869 8.250 -0.201 -0.117 0.438 7 L N 1.946 123.012 121.223 -0.262 0.000 2.393 7 L HA 0.423 4.636 4.340 -0.212 0.000 0.260 7 L C -2.359 174.399 176.870 -0.186 0.000 1.002 7 L CA -1.311 53.377 54.840 -0.253 0.000 0.818 7 L CB 4.740 46.555 42.059 -0.406 0.000 1.369 7 L HN -0.158 7.927 8.230 -0.242 0.000 0.412 8 V N -1.501 118.328 119.914 -0.143 0.000 2.357 8 V HA 0.462 4.550 4.120 -0.269 -0.129 0.281 8 V C -1.683 174.293 176.094 -0.197 0.000 1.015 8 V CA -1.362 60.811 62.300 -0.211 0.000 0.827 8 V CB 0.231 31.950 31.823 -0.174 0.000 1.018 8 V HN 0.300 8.431 8.190 -0.099 0.000 0.432 9 I N 6.184 126.627 120.570 -0.212 0.000 2.304 9 I HA 0.409 4.825 4.170 0.076 -0.200 0.291 9 I C -0.842 175.197 176.117 -0.130 0.000 1.018 9 I CA -1.030 60.234 61.300 -0.060 0.000 1.260 9 I CB 0.531 38.544 38.000 0.021 0.000 1.390 9 I HN 0.563 8.638 8.210 -0.225 0.000 0.475 10 W N 8.406 129.787 121.300 0.136 0.000 2.342 10 W HA 0.585 5.549 4.660 0.107 -0.240 0.310 10 W C -1.037 175.570 176.519 0.146 0.000 1.128 10 W CA -1.057 56.369 57.345 0.134 0.000 1.322 10 W CB 0.822 30.378 29.460 0.159 0.000 1.251 10 W HN 1.002 9.328 8.180 0.426 0.110 0.439 11 I N 1.728 122.490 120.570 0.319 0.000 2.827 11 I HA 0.371 4.718 4.170 0.294 0.000 0.298 11 I C -3.017 173.250 176.117 0.250 0.000 1.235 11 I CA -0.949 60.527 61.300 0.293 0.000 1.021 11 I CB 4.123 42.287 38.000 0.274 0.000 1.259 11 I HN 0.566 8.935 8.210 0.266 0.000 0.427 12 N N 7.539 126.345 118.700 0.178 0.000 2.697 12 N HA 0.083 4.928 4.740 0.174 0.000 0.271 12 N C -1.371 174.176 175.510 0.062 0.000 1.149 12 N CA 1.150 54.280 53.050 0.132 0.000 0.939 12 N CB 1.332 39.901 38.487 0.136 0.000 1.534 12 N HN 0.459 8.933 8.380 0.158 0.000 0.556 13 G N 2.663 111.513 108.800 0.083 0.000 3.355 13 G HA2 0.018 3.992 3.960 0.023 0.000 0.198 13 G HA3 0.018 4.034 3.960 0.092 0.000 0.198 13 G C -0.632 174.290 174.900 0.036 0.000 1.540 13 G CA 0.643 45.777 45.100 0.056 0.000 0.796 13 G HN 0.405 8.758 8.290 0.106 0.000 0.900 14 D N -2.137 118.284 120.400 0.035 0.000 1.367 14 D HA -0.010 4.646 4.640 0.026 0.000 0.758 14 D C -1.704 174.578 176.300 -0.030 0.000 0.713 14 D CA 0.798 54.803 54.000 0.009 0.000 1.249 14 D CB 0.776 41.565 40.800 -0.019 0.000 1.531 14 D HN -0.185 8.213 8.370 0.048 0.000 0.449 15 K N -1.645 118.675 120.400 -0.134 0.000 2.428 15 K HA 0.243 4.145 4.320 -0.698 0.000 0.279 15 K C -1.677 174.684 176.600 -0.399 0.000 1.041 15 K CA -0.656 55.387 56.287 -0.407 0.000 0.887 15 K CB 2.130 34.431 32.500 -0.333 0.000 1.535 15 K HN -0.476 7.717 8.250 -0.094 0.000 0.417 16 G N -2.996 105.480 108.800 -0.539 0.000 2.481 16 G HA2 -0.174 3.639 3.960 -0.245 0.000 0.200 16 G HA3 -0.174 3.660 3.960 -0.210 0.000 0.200 16 G C 0.203 174.964 174.900 -0.232 0.000 1.012 16 G CA 0.209 45.127 45.100 -0.303 0.000 0.676 16 G HN 0.365 8.217 8.290 -0.730 0.000 0.488 17 Y N 0.291 120.584 120.300 -0.010 0.000 2.274 17 Y HA -0.316 4.230 4.550 -0.007 0.000 0.290 17 Y C 1.124 177.020 175.900 -0.008 0.000 1.145 17 Y CA 1.919 60.015 58.100 -0.006 0.000 1.203 17 Y CB -1.226 37.233 38.460 -0.001 0.000 0.984 17 Y HN -0.154 7.636 8.280 -0.719 0.059 0.533 18 N N 0.833 119.524 118.700 -0.015 0.000 2.188 18 N HA -0.262 4.602 4.740 0.207 0.000 0.184 18 N C 2.445 177.957 175.510 0.003 0.000 1.018 18 N CA 2.625 55.717 53.050 0.069 0.000 0.858 18 N CB -1.001 37.474 38.487 -0.019 0.000 0.989 18 N HN 0.061 8.033 8.380 -0.652 0.017 0.426 19 G N 0.054 108.816 108.800 -0.064 0.000 2.408 19 G HA2 -0.140 3.804 3.960 -0.027 0.000 0.215 19 G HA3 -0.140 3.779 3.960 -0.069 0.000 0.215 19 G C 1.532 176.431 174.900 -0.002 0.000 1.156 19 G CA 1.664 46.740 45.100 -0.041 0.000 0.793 19 G HN -0.431 7.670 8.290 -0.143 0.103 0.535 20 L N 0.707 121.936 121.223 0.009 0.000 2.141 20 L HA -0.240 4.127 4.340 0.045 0.000 0.209 20 L C 1.881 178.789 176.870 0.063 0.000 1.094 20 L CA 1.801 56.667 54.840 0.044 0.000 0.763 20 L CB -1.200 40.891 42.059 0.052 0.000 0.908 20 L HN 0.098 8.323 8.230 -0.009 0.000 0.437 21 A N -1.025 121.834 122.820 0.065 0.000 1.902 21 A HA -0.408 3.946 4.320 0.056 0.000 0.217 21 A C 1.554 179.172 177.584 0.057 0.000 1.181 21 A CA 3.600 55.675 52.037 0.062 0.000 0.623 21 A CB -0.887 18.157 19.000 0.072 0.000 0.818 21 A HN -0.299 7.872 8.150 0.069 0.021 0.443 22 E N -1.802 118.429 120.200 0.051 0.000 2.153 22 E HA -0.301 4.077 4.350 0.046 0.000 0.194 22 E C 2.111 178.751 176.600 0.067 0.000 0.988 22 E CA 3.236 59.666 56.400 0.049 0.000 0.811 22 E CB -0.642 29.079 29.700 0.035 0.000 0.746 22 E HN -0.149 8.238 8.360 0.046 0.000 0.466 23 V N -1.879 118.083 119.914 0.079 0.000 2.548 23 V HA -0.212 3.991 4.120 0.138 0.000 0.249 23 V C 2.051 178.206 176.094 0.102 0.000 1.055 23 V CA 2.942 65.308 62.300 0.109 0.000 1.065 23 V CB -1.036 30.858 31.823 0.119 0.000 0.681 23 V HN -0.861 7.253 8.190 0.069 0.118 0.462 24 G N -0.478 108.383 108.800 0.101 0.000 2.395 24 G HA2 -0.261 3.788 3.960 0.149 0.000 0.214 24 G HA3 -0.261 3.741 3.960 0.071 0.000 0.214 24 G C 0.879 175.841 174.900 0.103 0.000 1.177 24 G CA 1.728 46.892 45.100 0.106 0.000 0.794 24 G HN -0.827 7.385 8.290 0.086 0.129 0.532 25 K N 1.014 121.459 120.400 0.075 0.000 2.211 25 K HA -0.360 4.200 4.320 0.055 -0.207 0.204 25 K C 2.297 178.945 176.600 0.080 0.000 1.047 25 K CA 3.220 59.545 56.287 0.064 0.000 0.935 25 K CB -0.127 32.402 32.500 0.048 0.000 0.728 25 K HN -0.068 8.222 8.250 0.066 0.000 0.452 26 K N -2.298 118.158 120.400 0.094 0.000 2.116 26 K HA -0.168 4.195 4.320 0.071 0.000 0.203 26 K C 1.589 178.263 176.600 0.124 0.000 1.052 26 K CA 1.654 57.995 56.287 0.090 0.000 0.952 26 K CB -0.427 32.124 32.500 0.085 0.000 0.729 26 K HN -0.843 7.435 8.250 0.095 0.029 0.446 27 F N -0.607 119.344 119.950 0.002 0.000 2.060 27 F HA -0.236 4.311 4.527 0.033 0.000 0.295 27 F C 2.352 178.152 175.800 0.000 0.000 1.120 27 F CA 2.106 60.090 58.000 -0.026 0.000 1.205 27 F CB 0.359 39.267 39.000 -0.154 0.000 0.986 27 F HN -0.752 7.582 8.300 0.211 0.093 0.470 28 E N -2.595 117.746 120.200 0.235 0.000 2.219 28 E HA -0.499 4.001 4.350 0.087 -0.098 0.198 28 E C 2.261 178.926 176.600 0.107 0.000 0.998 28 E CA 2.897 59.365 56.400 0.113 0.000 0.818 28 E CB -1.106 28.623 29.700 0.049 0.000 0.741 28 E HN 0.436 8.922 8.360 0.210 0.000 0.477 29 K N -1.222 119.246 120.400 0.113 0.000 2.173 29 K HA -0.311 4.046 4.320 0.061 0.000 0.207 29 K C 1.266 177.915 176.600 0.082 0.000 1.046 29 K CA 2.283 58.619 56.287 0.081 0.000 0.929 29 K CB -0.326 32.216 32.500 0.071 0.000 0.720 29 K HN -0.559 7.632 8.250 0.131 0.138 0.453 30 D N -2.719 117.752 120.400 0.118 0.000 2.078 30 D HA -0.188 4.502 4.640 0.083 0.000 0.193 30 D C -0.037 176.310 176.300 0.079 0.000 0.990 30 D CA 2.377 56.441 54.000 0.107 0.000 0.827 30 D CB 0.697 41.594 40.800 0.162 0.000 0.975 30 D HN 0.105 8.438 8.370 0.167 0.137 0.451 31 T N -7.235 107.366 114.554 0.078 0.000 5.420 31 T HA 0.011 4.383 4.350 0.038 0.000 0.275 31 T C -1.135 173.583 174.700 0.029 0.000 0.910 31 T CA -0.512 61.615 62.100 0.045 0.000 0.379 31 T CB -1.049 67.842 68.868 0.038 0.000 0.453 31 T HN -0.812 7.489 8.240 0.101 0.000 0.190 32 G N -0.313 108.501 108.800 0.023 0.000 3.715 32 G HA2 -0.049 3.895 3.960 -0.027 0.000 0.228 32 G HA3 -0.049 3.898 3.960 -0.021 0.000 0.228 32 G C -2.988 171.865 174.900 -0.077 0.000 1.825 32 G CA 0.618 45.706 45.100 -0.021 0.000 1.134 32 G HN -0.576 7.742 8.290 0.046 0.000 0.556 33 I N -1.209 119.314 120.570 -0.078 0.000 2.560 33 I HA 0.345 4.543 4.170 -0.298 -0.207 0.278 33 I C -2.049 173.983 176.117 -0.142 0.000 1.089 33 I CA -1.164 60.003 61.300 -0.221 0.000 1.086 33 I CB 1.334 39.076 38.000 -0.430 0.000 1.202 33 I HN -0.563 7.638 8.210 -0.016 0.000 0.471 34 K N 5.836 126.144 120.400 -0.153 0.000 2.345 34 K HA 0.386 4.669 4.320 -0.061 0.000 0.255 34 K C -2.100 174.418 176.600 -0.138 0.000 0.934 34 K CA -2.020 54.206 56.287 -0.102 0.000 0.801 34 K CB 3.785 36.241 32.500 -0.073 0.000 1.137 34 K HN -0.241 7.901 8.250 -0.180 0.000 0.424 35 V N 2.025 121.879 119.914 -0.100 0.000 2.630 35 V HA 0.672 4.811 4.120 -0.168 -0.121 0.305 35 V C -0.417 175.620 176.094 -0.096 0.000 1.046 35 V CA -3.239 58.993 62.300 -0.113 0.000 0.934 35 V CB 1.414 33.204 31.823 -0.055 0.000 1.003 35 V HN 0.255 8.412 8.190 -0.055 0.000 0.451 36 T N 5.909 120.383 114.554 -0.134 0.000 2.823 36 T HA 0.370 4.647 4.350 -0.120 0.000 0.279 36 T C -1.508 173.081 174.700 -0.184 0.000 0.998 36 T CA -0.925 61.081 62.100 -0.157 0.000 0.994 36 T CB 1.517 70.265 68.868 -0.201 0.000 0.960 36 T HN 0.670 8.816 8.240 -0.157 0.000 0.448 37 V N 0.659 120.483 119.914 -0.149 0.000 2.350 37 V HA 0.714 4.921 4.120 -0.145 -0.174 0.285 37 V C -0.821 175.175 176.094 -0.163 0.000 1.014 37 V CA -1.693 60.537 62.300 -0.117 0.000 0.831 37 V CB 1.514 33.351 31.823 0.023 0.000 1.000 37 V HN 0.355 8.472 8.190 -0.123 0.000 0.433 38 E N 6.882 126.912 120.200 -0.284 0.000 2.416 38 E HA 0.457 4.738 4.350 -0.115 0.000 0.273 38 E C -1.960 174.628 176.600 -0.020 0.000 0.935 38 E CA -2.005 54.230 56.400 -0.275 0.000 0.784 38 E CB 4.455 33.783 29.700 -0.620 0.000 1.301 38 E HN 0.170 8.307 8.360 -0.372 0.000 0.454 39 H N -0.897 118.266 119.070 0.156 0.000 2.467 39 H HA 0.578 5.471 4.556 0.286 -0.166 0.331 39 H C -1.670 173.969 175.328 0.518 0.000 1.120 39 H CA -3.617 52.603 56.048 0.288 0.000 1.270 39 H CB 0.009 29.866 29.762 0.158 0.000 1.466 39 H HN 0.198 8.331 8.280 -0.246 0.000 0.504 40 P HA -0.005 4.423 4.420 0.014 0.000 0.276 40 P C -1.692 175.702 177.300 0.157 0.000 1.230 40 P CA 0.085 63.316 63.100 0.217 0.000 0.776 40 P CB 0.780 32.579 31.700 0.165 0.000 0.888 41 D N 2.247 122.663 120.400 0.026 0.000 2.001 41 D HA -0.057 4.631 4.640 0.081 0.000 0.337 41 D C -0.161 176.121 176.300 -0.029 0.000 1.148 41 D CA 0.812 54.844 54.000 0.053 0.000 1.057 41 D CB 0.152 41.025 40.800 0.121 0.000 1.884 41 D HN 0.452 8.754 8.370 -0.113 0.000 0.529 42 K N -1.243 119.108 120.400 -0.081 0.000 2.402 42 K HA 0.180 4.457 4.320 -0.072 0.000 0.204 42 K C 1.171 177.674 176.600 -0.162 0.000 1.056 42 K CA -0.212 56.021 56.287 -0.090 0.000 1.069 42 K CB 0.120 32.596 32.500 -0.041 0.000 0.888 42 K HN -0.251 7.941 8.250 -0.097 0.000 0.546 43 L N 2.534 123.575 121.223 -0.304 0.000 2.187 43 L HA -0.327 3.821 4.340 -0.321 0.000 0.213 43 L C 1.346 178.073 176.870 -0.239 0.000 1.100 43 L CA 2.471 57.082 54.840 -0.381 0.000 0.765 43 L CB -0.352 41.271 42.059 -0.726 0.000 0.904 43 L HN 0.030 8.054 8.230 -0.342 0.000 0.437 44 E N -1.361 118.691 120.200 -0.247 0.000 2.160 44 E HA -0.342 3.784 4.350 -0.374 0.000 0.195 44 E C 1.288 177.811 176.600 -0.129 0.000 0.991 44 E CA 2.770 59.021 56.400 -0.247 0.000 0.810 44 E CB -0.400 29.166 29.700 -0.223 0.000 0.742 44 E HN 0.322 8.504 8.360 -0.232 0.039 0.466 45 E N -2.630 117.519 120.200 -0.086 0.000 2.307 45 E HA 0.022 4.352 4.350 -0.034 0.000 0.195 45 E C 1.261 177.855 176.600 -0.010 0.000 0.975 45 E CA 0.549 56.925 56.400 -0.040 0.000 0.878 45 E CB 0.678 30.354 29.700 -0.040 0.000 0.845 45 E HN -0.500 7.662 8.360 -0.104 0.136 0.488 46 K N 0.121 120.511 120.400 -0.017 0.000 2.288 46 K HA -0.182 4.138 4.320 0.000 0.000 0.201 46 K C 1.728 178.358 176.600 0.049 0.000 1.048 46 K CA 2.238 58.526 56.287 0.002 0.000 0.956 46 K CB -0.068 32.417 32.500 -0.024 0.000 0.746 46 K HN -0.608 7.519 8.250 -0.056 0.089 0.461 47 F N 1.885 121.752 119.950 -0.139 0.000 2.043 47 F HA -0.223 4.230 4.527 -0.123 0.000 0.297 47 F C -1.125 174.624 175.800 -0.085 0.000 1.118 47 F CA 5.159 63.082 58.000 -0.128 0.000 1.202 47 F CB -2.464 36.436 39.000 -0.168 0.000 0.965 47 F HN 0.543 8.811 8.300 0.155 0.125 0.482 48 P HA -0.192 4.202 4.420 -0.043 0.000 0.225 48 P C 0.535 177.809 177.300 -0.042 0.000 1.148 48 P CA 2.384 65.476 63.100 -0.014 0.000 0.779 48 P CB -0.719 30.988 31.700 0.012 0.000 0.780 49 Q N -3.558 116.223 119.800 -0.032 0.000 2.204 49 Q HA -0.061 4.261 4.340 -0.030 0.000 0.198 49 Q C 1.966 177.937 176.000 -0.047 0.000 0.946 49 Q CA 2.492 58.276 55.803 -0.031 0.000 0.859 49 Q CB 0.937 29.667 28.738 -0.013 0.000 0.946 49 Q HN -0.505 7.579 8.270 -0.011 0.179 0.474 50 V N -0.469 119.404 119.914 -0.069 0.000 3.235 50 V HA -0.230 3.942 4.120 -0.046 -0.079 0.259 50 V C 0.655 176.662 176.094 -0.145 0.000 1.133 50 V CA 1.513 63.764 62.300 -0.080 0.000 1.128 50 V CB -0.612 31.180 31.823 -0.052 0.000 0.757 50 V HN 0.482 8.438 8.190 -0.068 0.194 0.469 51 A N -0.507 122.184 122.820 -0.216 0.000 1.948 51 A HA -0.312 3.809 4.320 -0.331 0.000 0.220 51 A C 1.340 178.842 177.584 -0.137 0.000 1.177 51 A CA 2.775 54.664 52.037 -0.246 0.000 0.636 51 A CB -0.278 18.573 19.000 -0.248 0.000 0.815 51 A HN -0.055 7.847 8.150 -0.205 0.125 0.449 52 A N -4.570 118.193 122.820 -0.094 0.000 1.903 52 A HA -0.166 4.119 4.320 -0.059 0.000 0.213 52 A C 0.173 177.727 177.584 -0.050 0.000 1.185 52 A CA 1.914 53.914 52.037 -0.062 0.000 0.628 52 A CB 0.491 19.463 19.000 -0.047 0.000 0.830 52 A HN 0.286 8.369 8.150 -0.093 0.011 0.446 53 T N -7.587 106.937 114.554 -0.049 0.000 3.709 53 T HA -0.055 4.274 4.350 -0.035 0.000 0.211 53 T C 1.347 176.031 174.700 -0.027 0.000 0.778 53 T CA 0.509 62.589 62.100 -0.035 0.000 1.032 53 T CB 0.392 69.245 68.868 -0.025 0.000 0.952 53 T HN -0.700 7.439 8.240 -0.056 0.067 0.338 54 G N 3.515 112.303 108.800 -0.020 0.000 5.260 54 G HA2 -0.479 3.478 3.960 -0.005 0.000 0.276 54 G HA3 -0.479 3.479 3.960 -0.003 0.000 0.276 54 G C -0.665 174.237 174.900 0.003 0.000 1.357 54 G CA 2.215 47.312 45.100 -0.006 0.000 1.008 54 G HN 0.074 8.351 8.290 -0.022 0.000 0.777 55 D N 2.376 122.780 120.400 0.007 0.000 3.001 55 D HA 0.195 4.835 4.640 0.001 0.000 0.183 55 D C 0.410 176.706 176.300 -0.006 0.000 1.502 55 D CA 0.340 54.343 54.000 0.006 0.000 1.490 55 D CB 2.965 43.780 40.800 0.024 0.000 1.274 55 D HN 0.265 8.600 8.370 0.007 0.039 0.269 56 G N -0.012 108.786 108.800 -0.003 0.000 3.249 56 G HA2 0.193 4.141 3.960 -0.021 0.000 0.124 56 G HA3 0.193 4.135 3.960 -0.031 0.000 0.124 56 G C -2.667 172.226 174.900 -0.012 0.000 1.128 56 G CA 0.721 45.810 45.100 -0.018 0.000 1.461 56 G HN 0.167 8.466 8.290 0.015 0.000 0.683 57 P HA 0.005 4.410 4.420 -0.026 0.000 0.280 57 P C -1.942 175.397 177.300 0.066 0.000 1.278 57 P CA -0.167 62.925 63.100 -0.013 0.000 0.787 57 P CB 0.955 32.614 31.700 -0.069 0.000 1.163 58 D N -3.757 116.710 120.400 0.112 0.000 2.211 58 D HA 0.098 4.958 4.640 0.366 0.000 0.130 58 D C -2.183 174.292 176.300 0.291 0.000 1.065 58 D CA 0.567 54.717 54.000 0.249 0.000 1.156 58 D CB 1.443 42.353 40.800 0.184 0.000 2.851 58 D HN -0.073 8.337 8.370 0.067 0.000 0.616 59 I N 3.435 124.233 120.570 0.381 0.000 2.571 59 I HA 0.608 5.163 4.170 0.349 -0.176 0.286 59 I C -3.133 173.264 176.117 0.467 0.000 1.134 59 I CA -0.959 60.547 61.300 0.344 0.000 1.052 59 I CB 3.542 41.655 38.000 0.187 0.000 1.237 59 I HN -0.008 8.477 8.210 0.458 0.000 0.435 60 I N 8.341 129.227 120.570 0.527 0.000 2.569 60 I HA 0.539 5.208 4.170 0.551 -0.168 0.296 60 I C -1.785 174.578 176.117 0.410 0.000 1.028 60 I CA -1.772 59.868 61.300 0.568 0.000 1.082 60 I CB 3.291 41.707 38.000 0.694 0.000 1.264 60 I HN 0.313 8.851 8.210 0.546 0.000 0.429 61 F N 5.910 125.960 119.950 0.167 0.000 2.391 61 F HA 0.246 4.788 4.527 0.024 0.000 0.359 61 F C -1.990 173.782 175.800 -0.048 0.000 1.122 61 F CA -1.932 56.086 58.000 0.031 0.000 1.120 61 F CB 1.538 40.515 39.000 -0.037 0.000 1.142 61 F HN -0.354 8.162 8.300 0.360 0.000 0.483 62 W N 6.651 127.896 121.300 -0.091 0.000 3.038 62 W HA 0.220 4.520 4.660 -0.601 0.000 0.347 62 W C -1.349 175.184 176.519 0.022 0.000 1.219 62 W CA -0.873 56.353 57.345 -0.199 0.000 1.142 62 W CB 4.091 33.578 29.460 0.046 0.000 1.484 62 W HN -0.335 8.044 8.180 0.332 0.000 0.586 63 A N -1.092 121.983 122.820 0.426 0.000 2.250 63 A HA -0.156 4.335 4.320 0.285 0.000 0.284 63 A C 0.829 178.642 177.584 0.382 0.000 1.269 63 A CA 0.910 53.152 52.037 0.341 0.000 0.834 63 A CB 0.996 20.182 19.000 0.311 0.000 1.146 63 A HN 0.153 8.681 8.150 0.630 0.000 0.509 64 H N -0.902 118.307 119.070 0.231 0.000 2.294 64 H HA -0.208 4.491 4.556 0.238 0.000 0.306 64 H C 1.527 176.981 175.328 0.210 0.000 1.065 64 H CA 3.170 59.348 56.048 0.218 0.000 1.343 64 H CB 0.160 30.032 29.762 0.185 0.000 1.396 64 H HN 0.340 8.848 8.280 0.382 0.000 0.506 65 D N -1.700 118.852 120.400 0.253 0.000 2.234 65 D HA -0.183 4.586 4.640 0.095 -0.072 0.205 65 D C 1.846 178.259 176.300 0.188 0.000 0.962 65 D CA 2.604 56.691 54.000 0.144 0.000 0.855 65 D CB -0.424 40.418 40.800 0.070 0.000 0.951 65 D HN 0.348 8.871 8.370 0.254 0.000 0.500 66 R N -2.492 118.096 120.500 0.147 0.000 2.091 66 R HA -0.253 3.930 4.340 -0.261 0.000 0.238 66 R C 0.707 176.955 176.300 -0.087 0.000 1.136 66 R CA 2.709 58.760 56.100 -0.083 0.000 0.959 66 R CB -0.117 30.160 30.300 -0.038 0.000 0.856 66 R HN -0.128 8.238 8.270 0.198 0.023 0.437 67 F N -2.794 117.197 119.950 0.068 0.000 2.536 67 F HA 0.320 4.853 4.527 0.011 0.000 0.278 67 F C 1.477 177.380 175.800 0.172 0.000 0.945 67 F CA 2.045 60.112 58.000 0.113 0.000 1.244 67 F CB 1.658 40.793 39.000 0.225 0.000 1.118 67 F HN -0.744 7.790 8.300 0.403 0.007 0.725 68 G N -1.647 107.481 108.800 0.546 0.000 2.443 68 G HA2 -0.327 4.014 3.960 0.441 0.000 0.219 68 G HA3 -0.327 3.917 3.960 0.434 -0.024 0.219 68 G C 1.353 176.342 174.900 0.149 0.000 1.131 68 G CA 2.040 47.377 45.100 0.394 0.000 0.775 68 G HN 0.068 8.699 8.290 0.569 0.000 0.547 69 G N 0.227 109.097 108.800 0.116 0.000 2.494 69 G HA2 -0.036 3.815 3.960 -0.182 0.000 0.216 69 G HA3 -0.036 4.192 3.960 0.000 -0.267 0.216 69 G C -0.008 174.845 174.900 -0.078 0.000 1.140 69 G CA 0.713 45.791 45.100 -0.037 0.000 0.801 69 G HN -0.410 7.876 8.290 0.206 0.128 0.536 70 Y N 0.227 120.452 120.300 -0.125 0.000 2.301 70 Y HA 0.044 4.497 4.550 -0.161 0.000 0.295 70 Y C 1.975 177.790 175.900 -0.141 0.000 1.126 70 Y CA 2.512 60.509 58.100 -0.172 0.000 1.154 70 Y CB 0.911 39.212 38.460 -0.267 0.000 1.075 70 Y HN -0.803 7.521 8.280 0.226 0.091 0.534 71 A N -2.157 120.686 122.820 0.038 0.000 1.972 71 A HA -0.316 4.019 4.320 0.025 0.000 0.219 71 A C 2.010 179.620 177.584 0.043 0.000 1.169 71 A CA 3.295 55.358 52.037 0.043 0.000 0.635 71 A CB -0.966 18.121 19.000 0.144 0.000 0.810 71 A HN 0.717 8.782 8.150 0.058 0.120 0.446 72 Q N -2.014 117.784 119.800 -0.002 0.000 2.181 72 Q HA -0.242 4.093 4.340 -0.008 0.000 0.205 72 Q C 0.982 176.924 176.000 -0.098 0.000 0.980 72 Q CA 2.403 58.160 55.803 -0.076 0.000 0.862 72 Q CB -0.239 28.343 28.738 -0.259 0.000 0.905 72 Q HN -0.135 8.114 8.270 0.004 0.024 0.429 73 S N -1.358 114.271 115.700 -0.117 0.000 2.561 73 S HA 0.176 4.588 4.470 -0.096 0.000 0.245 73 S C -0.414 174.143 174.600 -0.071 0.000 1.001 73 S CA -0.575 57.556 58.200 -0.115 0.000 1.002 73 S CB 0.080 63.173 63.200 -0.179 0.000 0.805 73 S HN -0.452 7.643 8.310 -0.125 0.140 0.458 74 G N 1.212 109.993 108.800 -0.032 0.000 2.509 74 G HA2 0.323 4.272 3.960 -0.018 0.000 0.168 74 G HA3 0.323 4.292 3.960 0.015 0.000 0.168 74 G C -1.949 172.949 174.900 -0.005 0.000 1.415 74 G CA 0.163 45.258 45.100 -0.009 0.000 0.686 74 G HN 0.064 8.157 8.290 -0.023 0.183 0.677 75 L N -3.236 117.995 121.223 0.013 0.000 2.691 75 L HA 0.291 4.642 4.340 0.018 0.000 0.239 75 L C -2.508 174.397 176.870 0.059 0.000 1.062 75 L CA 0.730 55.578 54.840 0.014 0.000 1.002 75 L CB -0.153 41.889 42.059 -0.028 0.000 1.232 75 L HN -0.585 7.664 8.230 0.032 0.000 0.542 76 L N 1.000 122.283 121.223 0.101 0.000 2.334 76 L HA 0.355 4.825 4.340 0.216 0.000 0.276 76 L C -0.655 176.300 176.870 0.143 0.000 1.014 76 L CA -2.298 52.648 54.840 0.177 0.000 0.815 76 L CB 4.034 46.237 42.059 0.240 0.000 1.268 76 L HN -0.080 8.199 8.230 0.081 0.000 0.428 77 A N 3.822 126.733 122.820 0.152 0.000 2.898 77 A HA -0.120 4.253 4.320 0.088 0.000 0.288 77 A C -0.675 176.985 177.584 0.127 0.000 1.771 77 A CA 0.032 52.137 52.037 0.115 0.000 1.383 77 A CB -1.151 17.907 19.000 0.098 0.000 1.028 77 A HN 0.286 8.547 8.150 0.186 0.001 0.595 78 E N 3.302 123.569 120.200 0.111 0.000 2.059 78 E HA -0.203 4.496 4.350 0.143 -0.263 0.262 78 E C -0.236 176.420 176.600 0.095 0.000 1.230 78 E CA -0.591 55.876 56.400 0.112 0.000 0.951 78 E CB -1.083 28.669 29.700 0.088 0.000 1.038 78 E HN -0.334 8.065 8.360 0.094 0.018 0.425 79 I N 5.862 126.503 120.570 0.118 0.000 2.882 79 I HA -0.094 4.122 4.170 0.078 0.000 0.286 79 I C 0.115 176.257 176.117 0.042 0.000 1.139 79 I CA 0.317 61.672 61.300 0.092 0.000 1.379 79 I CB 0.733 38.821 38.000 0.146 0.000 1.410 79 I HN -0.391 7.916 8.210 0.161 0.000 0.594 80 T N -1.338 113.228 114.554 0.020 0.000 2.943 80 T HA 0.367 4.706 4.350 -0.018 0.000 0.284 80 T C -1.438 173.222 174.700 -0.066 0.000 1.015 80 T CA -3.292 58.801 62.100 -0.013 0.000 1.042 80 T CB 0.514 69.388 68.868 0.010 0.000 1.055 80 T HN -0.123 8.138 8.240 0.035 0.000 0.500 81 P HA 0.150 4.389 4.420 -0.301 0.000 0.260 81 P C -1.617 175.646 177.300 -0.063 0.000 1.651 81 P CA 0.327 63.319 63.100 -0.180 0.000 1.139 81 P CB -0.193 31.387 31.700 -0.201 0.000 1.756 82 D N 4.345 124.732 120.400 -0.023 0.000 2.954 82 D HA 0.028 4.796 4.640 0.214 0.000 0.266 82 D C 1.247 177.624 176.300 0.129 0.000 1.277 82 D CA 1.246 55.309 54.000 0.106 0.000 1.130 82 D CB 1.746 42.597 40.800 0.085 0.000 1.440 82 D HN -0.159 8.169 8.370 -0.070 0.000 0.427 83 K N 1.250 121.693 120.400 0.073 0.000 2.211 83 K HA -0.313 4.083 4.320 0.127 0.000 0.204 83 K C 1.206 177.867 176.600 0.101 0.000 1.047 83 K CA 2.830 59.181 56.287 0.106 0.000 0.935 83 K CB -0.970 31.605 32.500 0.126 0.000 0.728 83 K HN 0.367 8.643 8.250 0.043 0.000 0.452 84 A N -0.913 121.898 122.820 -0.014 0.000 2.076 84 A HA -0.185 4.197 4.320 0.104 0.000 0.220 84 A C 2.450 180.004 177.584 -0.050 0.000 1.160 84 A CA 2.498 54.498 52.037 -0.061 0.000 0.653 84 A CB -1.124 17.673 19.000 -0.339 0.000 0.801 84 A HN 0.042 8.099 8.150 -0.093 0.037 0.455 85 F N -1.421 118.537 119.950 0.013 0.000 2.094 85 F HA -0.318 4.217 4.527 0.013 0.000 0.291 85 F C 2.087 177.903 175.800 0.026 0.000 1.109 85 F CA 3.812 61.820 58.000 0.014 0.000 1.221 85 F CB 0.022 39.023 39.000 0.002 0.000 1.014 85 F HN -0.303 7.934 8.300 0.160 0.159 0.473 86 Q N -2.797 117.152 119.800 0.247 0.000 2.230 86 Q HA -0.275 4.146 4.340 0.134 0.000 0.202 86 Q C 1.549 177.622 176.000 0.121 0.000 0.963 86 Q CA 2.668 58.559 55.803 0.148 0.000 0.866 86 Q CB -0.309 28.496 28.738 0.113 0.000 0.931 86 Q HN -0.061 8.368 8.270 0.265 0.000 0.452 87 D N -2.417 118.064 120.400 0.135 0.000 2.162 87 D HA -0.006 4.705 4.640 0.119 0.000 0.203 87 D C 0.144 176.509 176.300 0.108 0.000 0.967 87 D CA 1.267 55.347 54.000 0.134 0.000 0.840 87 D CB 0.549 41.462 40.800 0.190 0.000 0.972 87 D HN 0.140 8.466 8.370 0.149 0.134 0.482 88 K N -4.115 116.342 120.400 0.095 0.000 3.117 88 K HA -0.436 3.952 4.320 0.022 -0.055 0.269 88 K C -0.905 175.701 176.600 0.010 0.000 1.098 88 K CA 0.328 56.638 56.287 0.037 0.000 0.785 88 K CB -2.193 30.317 32.500 0.017 0.000 1.242 88 K HN -0.355 7.852 8.250 0.105 0.107 0.491 89 L N -2.846 118.449 121.223 0.119 0.000 2.416 89 L HA -0.146 4.242 4.340 0.081 0.000 0.212 89 L C 0.774 177.657 176.870 0.021 0.000 1.200 89 L CA 1.043 55.959 54.840 0.127 0.000 0.841 89 L CB 0.862 43.089 42.059 0.280 0.000 1.299 89 L HN -0.769 7.566 8.230 0.197 0.013 0.538 90 Y N -2.251 118.059 120.300 0.015 0.000 2.352 90 Y HA 0.179 4.778 4.550 0.082 0.000 0.326 90 Y C -0.500 175.455 175.900 0.090 0.000 1.166 90 Y CA -1.309 56.816 58.100 0.042 0.000 1.182 90 Y CB 0.573 39.035 38.460 0.003 0.000 1.216 90 Y HN 0.146 8.517 8.280 0.151 0.000 0.474 91 P HA -0.106 4.524 4.420 0.349 0.000 0.220 91 P C 0.878 178.311 177.300 0.222 0.000 1.152 91 P CA 1.764 65.029 63.100 0.275 0.000 0.812 91 P CB 0.593 32.407 31.700 0.190 0.000 0.792 92 F N -1.057 118.970 119.950 0.129 0.000 2.216 92 F HA -0.207 4.363 4.527 0.072 0.000 0.300 92 F C 1.440 177.243 175.800 0.006 0.000 1.085 92 F CA 4.019 62.056 58.000 0.062 0.000 1.326 92 F CB -0.217 38.800 39.000 0.029 0.000 1.027 92 F HN 0.017 8.616 8.300 0.498 0.000 0.497 93 T N -0.321 114.289 114.554 0.094 0.000 2.904 93 T HA -0.295 4.023 4.350 -0.052 0.000 0.267 93 T C 0.970 175.546 174.700 -0.207 0.000 1.059 93 T CA 3.494 65.502 62.100 -0.153 0.000 1.137 93 T CB -0.737 67.891 68.868 -0.399 0.000 0.879 93 T HN -0.487 7.812 8.240 0.134 0.021 0.467 94 W N 0.355 121.689 121.300 0.057 0.000 2.525 94 W HA -0.177 4.490 4.660 0.013 0.000 0.288 94 W C 1.653 178.168 176.519 -0.006 0.000 1.200 94 W CA 1.496 58.850 57.345 0.015 0.000 1.349 94 W CB 0.290 29.749 29.460 -0.002 0.000 1.102 94 W HN -0.811 7.271 8.180 0.041 0.123 0.558 95 D N 0.001 120.506 120.400 0.175 0.000 2.178 95 D HA -0.287 4.373 4.640 0.034 0.000 0.201 95 D C 2.098 178.388 176.300 -0.016 0.000 0.980 95 D CA 3.655 57.664 54.000 0.015 0.000 0.842 95 D CB -0.483 40.234 40.800 -0.138 0.000 0.948 95 D HN 0.581 8.938 8.370 0.171 0.116 0.472 96 A N -2.027 120.808 122.820 0.025 0.000 1.972 96 A HA -0.106 4.223 4.320 0.016 0.000 0.219 96 A C 0.702 178.339 177.584 0.087 0.000 1.169 96 A CA 2.179 54.253 52.037 0.062 0.000 0.635 96 A CB 0.122 19.203 19.000 0.135 0.000 0.810 96 A HN -0.563 7.590 8.150 0.045 0.024 0.446 97 V N -7.219 112.784 119.914 0.147 0.000 2.446 97 V HA 0.275 4.475 4.120 0.133 0.000 0.257 97 V C -1.753 174.441 176.094 0.167 0.000 1.036 97 V CA -1.773 60.646 62.300 0.198 0.000 1.196 97 V CB -0.058 31.976 31.823 0.352 0.000 1.446 97 V HN -0.791 7.364 8.190 0.172 0.139 0.558 98 R N 2.498 122.996 120.500 -0.003 0.000 2.335 98 R HA 0.411 4.809 4.340 0.096 0.000 0.302 98 R C -1.031 175.201 176.300 -0.112 0.000 1.147 98 R CA -1.068 55.032 56.100 0.000 0.000 1.111 98 R CB 1.202 31.494 30.300 -0.014 0.000 1.122 98 R HN -0.603 7.598 8.270 -0.116 0.000 0.557 99 Y N 5.841 126.173 120.300 0.053 0.000 2.385 99 Y HA 0.051 4.619 4.550 0.031 0.000 0.341 99 Y C 0.316 176.234 175.900 0.030 0.000 0.965 99 Y CA 0.236 58.359 58.100 0.037 0.000 1.180 99 Y CB 0.437 38.920 38.460 0.038 0.000 1.139 99 Y HN 0.128 8.569 8.280 0.270 0.000 0.502 100 N N 4.386 123.168 118.700 0.136 0.000 3.078 100 N HA -0.433 4.345 4.740 0.063 0.000 0.221 100 N C -0.115 175.428 175.510 0.055 0.000 0.163 100 N CA 1.918 55.020 53.050 0.088 0.000 3.866 100 N CB -0.292 38.255 38.487 0.099 0.000 1.005 100 N HN 0.636 9.070 8.380 0.090 0.000 0.246 101 G N -0.944 107.897 108.800 0.068 0.000 4.783 101 G HA2 0.017 3.995 3.960 0.029 0.000 0.225 101 G HA3 0.017 3.995 3.960 0.030 0.000 0.225 101 G C -2.010 172.918 174.900 0.046 0.000 1.572 101 G CA 0.105 45.230 45.100 0.041 0.000 1.037 101 G HN 0.289 8.586 8.290 0.098 0.052 0.487 102 K N -1.630 118.816 120.400 0.077 0.000 2.499 102 K HA 0.439 4.788 4.320 0.049 0.000 0.277 102 K C -2.830 173.839 176.600 0.116 0.000 1.025 102 K CA -1.689 54.646 56.287 0.080 0.000 0.900 102 K CB 3.755 36.306 32.500 0.086 0.000 1.494 102 K HN -0.663 7.651 8.250 0.106 0.000 0.442 103 L N 2.507 123.801 121.223 0.119 0.000 2.335 103 L HA 0.435 4.900 4.340 0.208 0.000 0.268 103 L C -0.630 176.380 176.870 0.233 0.000 1.037 103 L CA -1.307 53.640 54.840 0.179 0.000 0.895 103 L CB 0.342 42.483 42.059 0.136 0.000 1.266 103 L HN 0.329 8.617 8.230 0.096 0.000 0.439 104 I N -1.605 119.118 120.570 0.255 0.000 3.376 104 I HA 0.254 4.577 4.170 0.255 0.000 0.347 104 I C -2.286 174.024 176.117 0.322 0.000 1.453 104 I CA -1.462 59.991 61.300 0.256 0.000 1.044 104 I CB -1.176 36.930 38.000 0.177 0.000 1.668 104 I HN -0.389 7.982 8.210 0.268 0.000 0.490 105 A N -0.034 123.014 122.820 0.379 0.000 2.534 105 A HA 0.099 4.669 4.320 0.417 0.000 0.300 105 A C -2.624 175.201 177.584 0.402 0.000 1.054 105 A CA 0.126 52.417 52.037 0.423 0.000 0.858 105 A CB 1.752 21.058 19.000 0.510 0.000 1.333 105 A HN -0.619 7.695 8.150 0.386 0.068 0.391 106 Y N 3.301 123.719 120.300 0.196 0.000 2.447 106 Y HA 0.305 4.970 4.550 0.193 0.000 0.325 106 Y C -2.460 173.466 175.900 0.044 0.000 0.976 106 Y CA -3.352 54.831 58.100 0.139 0.000 1.280 106 Y CB 3.288 41.817 38.460 0.116 0.000 1.104 106 Y HN -0.107 8.392 8.280 0.365 0.000 0.486 107 P HA 0.438 5.035 4.420 -0.085 -0.228 0.282 107 P C -1.510 175.759 177.300 -0.052 0.000 1.262 107 P CA -0.747 62.293 63.100 -0.100 0.000 0.773 107 P CB 0.785 32.354 31.700 -0.218 0.000 0.879 108 I N 1.996 122.551 120.570 -0.025 0.000 3.171 108 I HA 0.172 4.312 4.170 -0.049 0.000 0.329 108 I C -1.709 174.345 176.117 -0.104 0.000 1.522 108 I CA -1.202 60.075 61.300 -0.039 0.000 0.948 108 I CB -0.059 37.947 38.000 0.011 0.000 1.527 108 I HN 0.087 8.287 8.210 -0.017 0.000 0.547 109 A N -0.662 122.090 122.820 -0.113 0.000 2.045 109 A HA 0.108 4.330 4.320 -0.164 0.000 0.298 109 A C -1.964 175.541 177.584 -0.131 0.000 1.052 109 A CA -0.055 51.895 52.037 -0.146 0.000 0.961 109 A CB 1.304 20.195 19.000 -0.182 0.000 1.350 109 A HN -0.518 7.570 8.150 -0.104 0.000 0.352 110 V N 6.191 126.023 119.914 -0.136 0.000 2.372 110 V HA 0.024 4.196 4.120 -0.092 -0.108 0.261 110 V C -1.151 174.848 176.094 -0.157 0.000 1.055 110 V CA 0.252 62.482 62.300 -0.117 0.000 0.930 110 V CB -0.646 31.119 31.823 -0.096 0.000 1.031 110 V HN -0.197 7.909 8.190 -0.140 0.000 0.479 111 E N 6.166 126.261 120.200 -0.173 0.000 2.234 111 E HA 0.409 4.567 4.350 -0.321 0.000 0.266 111 E C -2.359 174.156 176.600 -0.141 0.000 0.877 111 E CA -1.948 54.273 56.400 -0.299 0.000 0.758 111 E CB 2.690 32.056 29.700 -0.555 0.000 1.170 111 E HN 0.281 8.448 8.360 -0.117 0.122 0.415 112 A N 2.296 125.105 122.820 -0.017 0.000 2.588 112 A HA 0.381 4.730 4.320 0.048 0.000 0.290 112 A C -2.366 175.402 177.584 0.307 0.000 1.136 112 A CA -0.616 51.477 52.037 0.094 0.000 0.681 112 A CB 2.553 21.567 19.000 0.022 0.000 1.282 112 A HN 0.210 8.357 8.150 -0.005 0.000 0.421 113 L N -5.336 115.996 121.223 0.183 0.000 2.387 113 L HA 0.605 5.101 4.340 0.259 0.000 0.266 113 L C -0.549 176.366 176.870 0.075 0.000 1.059 113 L CA -0.563 54.377 54.840 0.166 0.000 0.801 113 L CB 1.301 43.420 42.059 0.100 0.000 1.223 113 L HN 0.342 8.606 8.230 0.056 0.000 0.456 114 S N -2.749 112.976 115.700 0.041 0.000 2.703 114 S HA 0.255 4.722 4.470 -0.004 0.000 0.273 114 S C -2.305 172.279 174.600 -0.027 0.000 1.178 114 S CA -0.051 58.157 58.200 0.013 0.000 0.838 114 S CB 3.273 66.504 63.200 0.051 0.000 1.178 114 S HN -0.012 8.315 8.310 0.028 0.000 0.494 115 L N 1.101 122.315 121.223 -0.015 0.000 2.322 115 L HA 0.412 4.821 4.340 -0.086 -0.121 0.281 115 L C -1.826 175.073 176.870 0.047 0.000 1.014 115 L CA -0.731 54.090 54.840 -0.031 0.000 0.815 115 L CB 3.426 45.453 42.059 -0.054 0.000 1.247 115 L HN -0.270 7.965 8.230 0.009 0.000 0.421 116 I N 4.562 125.139 120.570 0.011 0.000 2.428 116 I HA 0.639 5.050 4.170 0.050 -0.211 0.296 116 I C -0.563 175.618 176.117 0.107 0.000 0.985 116 I CA -3.113 58.206 61.300 0.032 0.000 1.260 116 I CB 0.007 37.984 38.000 -0.039 0.000 1.389 116 I HN 0.159 8.336 8.210 -0.055 0.000 0.484 117 Y N 1.637 121.940 120.300 0.006 0.000 2.705 117 Y HA 0.364 4.909 4.550 -0.008 0.000 0.332 117 Y C -2.801 173.120 175.900 0.035 0.000 1.157 117 Y CA -2.166 55.935 58.100 0.002 0.000 1.091 117 Y CB 1.827 40.274 38.460 -0.020 0.000 1.301 117 Y HN -0.207 7.915 8.280 -0.264 0.000 0.488 118 N N -2.374 116.423 118.700 0.163 0.000 2.831 118 N HA 0.309 5.125 4.740 -0.073 -0.120 0.276 118 N C -1.542 174.064 175.510 0.161 0.000 1.416 118 N CA -0.738 52.350 53.050 0.063 0.000 0.799 118 N CB 3.976 42.497 38.487 0.057 0.000 1.554 118 N HN 0.089 8.655 8.380 0.309 0.000 0.541 119 K N -0.990 119.459 120.400 0.081 0.000 2.758 119 K HA 0.231 4.614 4.320 0.105 0.000 0.208 119 K C -1.366 175.260 176.600 0.044 0.000 1.091 119 K CA -0.095 56.238 56.287 0.077 0.000 1.059 119 K CB 0.487 33.021 32.500 0.057 0.000 0.801 119 K HN 0.360 8.633 8.250 0.038 0.000 0.470 120 D N -1.048 119.378 120.400 0.044 0.000 3.118 120 D HA 0.028 4.683 4.640 0.025 0.000 0.222 120 D C -0.830 175.488 176.300 0.031 0.000 1.470 120 D CA 0.876 54.895 54.000 0.031 0.000 1.347 120 D CB 0.909 41.727 40.800 0.029 0.000 1.221 120 D HN 0.123 8.464 8.370 0.056 0.063 0.326 121 L N -2.621 118.623 121.223 0.036 0.000 3.291 121 L HA 0.373 4.729 4.340 0.026 0.000 0.307 121 L C -1.769 175.124 176.870 0.038 0.000 1.303 121 L CA -0.306 54.553 54.840 0.032 0.000 0.949 121 L CB 0.300 42.377 42.059 0.029 0.000 1.375 121 L HN -0.201 8.054 8.230 0.042 0.000 0.596 122 L N 0.786 122.038 121.223 0.048 0.000 2.490 122 L HA 0.416 4.780 4.340 0.040 0.000 0.256 122 L C -2.079 174.818 176.870 0.045 0.000 1.089 122 L CA -2.409 52.464 54.840 0.055 0.000 0.916 122 L CB 2.398 44.510 42.059 0.088 0.000 1.188 122 L HN -0.519 7.741 8.230 0.051 0.000 0.476 123 P HA -0.093 4.319 4.420 -0.013 0.000 0.265 123 P C -1.404 175.867 177.300 -0.047 0.000 1.187 123 P CA -0.173 62.917 63.100 -0.017 0.000 0.766 123 P CB 0.457 32.141 31.700 -0.026 0.000 0.820 124 N N 1.546 120.198 118.700 -0.080 0.000 2.354 124 N HA -0.005 4.617 4.740 -0.196 0.000 0.246 124 N C -1.362 174.055 175.510 -0.156 0.000 1.285 124 N CA -0.987 51.968 53.050 -0.157 0.000 0.925 124 N CB -0.372 38.004 38.487 -0.186 0.000 1.174 124 N HN -0.105 8.236 8.380 -0.064 0.000 0.478 125 P HA 0.288 4.589 4.420 -0.197 0.000 0.266 125 P C -1.619 175.590 177.300 -0.152 0.000 1.215 125 P CA -0.886 62.101 63.100 -0.188 0.000 0.763 125 P CB -0.062 31.514 31.700 -0.208 0.000 0.806 126 P HA -0.086 4.279 4.420 -0.092 0.000 0.214 126 P C 0.003 177.244 177.300 -0.099 0.000 1.162 126 P CA 1.458 64.494 63.100 -0.106 0.000 0.879 126 P CB 0.790 32.432 31.700 -0.096 0.000 0.786 127 K N -6.306 114.027 120.400 -0.112 0.000 3.069 127 K HA 0.053 4.321 4.320 -0.087 0.000 0.280 127 K C -0.642 175.898 176.600 -0.099 0.000 2.717 127 K CA 0.647 56.878 56.287 -0.092 0.000 1.549 127 K CB 0.397 32.855 32.500 -0.069 0.000 2.952 127 K HN -0.322 7.846 8.250 -0.137 0.000 0.391 128 T N -4.111 110.385 114.554 -0.097 0.000 2.804 128 T HA 0.318 4.632 4.350 -0.061 0.000 0.272 128 T C 0.701 175.333 174.700 -0.113 0.000 0.986 128 T CA -2.092 59.960 62.100 -0.080 0.000 0.999 128 T CB 1.748 70.577 68.868 -0.065 0.000 1.307 128 T HN -0.465 7.720 8.240 -0.092 0.000 0.586 129 W N -0.452 120.734 121.300 -0.189 0.000 2.436 129 W HA -0.255 4.353 4.660 -0.086 0.000 0.284 129 W C 1.921 178.308 176.519 -0.220 0.000 1.225 129 W CA 3.732 60.965 57.345 -0.187 0.000 1.271 129 W CB 0.423 29.750 29.460 -0.221 0.000 1.114 129 W HN 0.441 8.682 8.180 0.100 0.000 0.559 130 E N -1.257 118.900 120.200 -0.071 0.000 2.273 130 E HA -0.342 3.965 4.350 -0.072 0.000 0.198 130 E C 1.030 177.616 176.600 -0.023 0.000 1.002 130 E CA 2.776 59.130 56.400 -0.077 0.000 0.828 130 E CB -0.575 29.055 29.700 -0.116 0.000 0.747 130 E HN -0.500 7.754 8.360 -0.143 0.020 0.491 131 E N -3.479 116.693 120.200 -0.046 0.000 2.385 131 E HA -0.056 4.275 4.350 -0.032 0.000 0.194 131 E C 2.058 178.627 176.600 -0.051 0.000 1.013 131 E CA 0.721 57.091 56.400 -0.051 0.000 0.866 131 E CB 0.387 30.040 29.700 -0.078 0.000 0.832 131 E HN -0.709 7.565 8.360 -0.068 0.045 0.500 132 I N 1.811 122.347 120.570 -0.057 0.000 2.248 132 I HA -0.265 3.814 4.170 -0.151 0.000 0.248 132 I C -1.696 174.438 176.117 0.028 0.000 1.107 132 I CA 4.262 65.521 61.300 -0.068 0.000 1.373 132 I CB -1.710 36.241 38.000 -0.082 0.000 1.055 132 I HN 0.023 8.019 8.210 -0.044 0.188 0.418 133 P HA -0.094 4.386 4.420 0.100 0.000 0.221 133 P C 0.662 177.987 177.300 0.042 0.000 1.150 133 P CA 2.427 65.575 63.100 0.080 0.000 0.800 133 P CB -1.038 30.719 31.700 0.094 0.000 0.787 134 A N -3.180 119.650 122.820 0.018 0.000 2.014 134 A HA -0.129 4.198 4.320 0.012 0.000 0.218 134 A C 2.100 179.683 177.584 -0.001 0.000 1.163 134 A CA 2.703 54.743 52.037 0.005 0.000 0.652 134 A CB -0.620 18.375 19.000 -0.009 0.000 0.808 134 A HN -0.189 7.827 8.150 0.012 0.141 0.449 135 L N -2.409 118.808 121.223 -0.010 0.000 2.179 135 L HA -0.264 4.067 4.340 -0.016 0.000 0.208 135 L C 1.571 178.444 176.870 0.005 0.000 1.096 135 L CA 2.712 57.543 54.840 -0.015 0.000 0.779 135 L CB 0.153 42.188 42.059 -0.041 0.000 0.922 135 L HN -0.697 7.395 8.230 -0.015 0.129 0.443 136 D N -0.214 120.199 120.400 0.021 0.000 2.091 136 D HA -0.287 4.375 4.640 0.037 0.000 0.199 136 D C 1.806 178.125 176.300 0.032 0.000 0.980 136 D CA 4.104 58.126 54.000 0.037 0.000 0.831 136 D CB 0.125 40.961 40.800 0.061 0.000 0.987 136 D HN -0.496 7.798 8.370 0.024 0.090 0.460 137 K N -1.572 118.846 120.400 0.030 0.000 2.152 137 K HA -0.301 4.035 4.320 0.027 0.000 0.206 137 K C 2.694 179.305 176.600 0.017 0.000 1.048 137 K CA 2.892 59.193 56.287 0.024 0.000 0.933 137 K CB -0.568 31.945 32.500 0.023 0.000 0.721 137 K HN -0.452 7.817 8.250 0.032 0.000 0.447 138 E N -1.014 119.194 120.200 0.013 0.000 2.076 138 E HA -0.216 4.139 4.350 0.008 0.000 0.190 138 E C 1.670 178.277 176.600 0.011 0.000 0.979 138 E CA 2.418 58.824 56.400 0.009 0.000 0.807 138 E CB 0.188 29.890 29.700 0.002 0.000 0.761 138 E HN -0.794 7.548 8.360 0.013 0.025 0.454 139 L N -1.936 119.295 121.223 0.014 0.000 2.017 139 L HA -0.218 4.131 4.340 0.015 0.000 0.208 139 L C 2.443 179.325 176.870 0.020 0.000 1.073 139 L CA 2.716 57.567 54.840 0.017 0.000 0.745 139 L CB -0.182 41.890 42.059 0.022 0.000 0.894 139 L HN -0.025 8.107 8.230 0.014 0.106 0.432 140 K N -1.611 118.803 120.400 0.023 0.000 2.211 140 K HA -0.220 4.245 4.320 0.024 -0.130 0.204 140 K C 1.791 178.402 176.600 0.018 0.000 1.047 140 K CA 2.454 58.755 56.287 0.023 0.000 0.935 140 K CB -0.834 31.682 32.500 0.026 0.000 0.728 140 K HN 0.232 8.497 8.250 0.025 0.000 0.452 141 A N -1.590 121.239 122.820 0.015 0.000 2.076 141 A HA -0.159 4.168 4.320 0.012 0.000 0.220 141 A C 1.222 178.812 177.584 0.011 0.000 1.160 141 A CA 2.328 54.372 52.037 0.012 0.000 0.653 141 A CB -0.540 18.466 19.000 0.010 0.000 0.801 141 A HN -0.231 7.784 8.150 0.016 0.145 0.455 142 K N -3.767 116.641 120.400 0.012 0.000 2.313 142 K HA 0.128 4.454 4.320 0.010 0.000 0.215 142 K C 0.696 177.303 176.600 0.013 0.000 1.109 142 K CA 0.412 56.706 56.287 0.012 0.000 0.895 142 K CB 2.224 34.731 32.500 0.012 0.000 1.234 142 K HN -0.217 7.880 8.250 0.014 0.161 0.463 143 G N -3.169 105.641 108.800 0.016 0.000 4.445 143 G HA2 0.006 3.975 3.960 0.016 0.000 0.228 143 G HA3 0.006 3.974 3.960 0.015 0.000 0.228 143 G C -1.574 173.339 174.900 0.021 0.000 2.381 143 G CA 0.369 45.479 45.100 0.017 0.000 0.984 143 G HN -0.476 7.824 8.290 0.017 0.000 0.427 144 K N -0.948 119.466 120.400 0.024 0.000 2.428 144 K HA 0.382 4.721 4.320 0.032 0.000 0.279 144 K C -2.276 174.346 176.600 0.036 0.000 1.041 144 K CA -1.390 54.916 56.287 0.031 0.000 0.887 144 K CB 3.890 36.408 32.500 0.031 0.000 1.535 144 K HN -0.500 7.677 8.250 0.023 0.087 0.417 145 S N -2.564 113.163 115.700 0.044 0.000 2.732 145 S HA 0.238 4.736 4.470 0.046 0.000 0.293 145 S C -1.664 172.968 174.600 0.053 0.000 1.159 145 S CA -0.967 57.264 58.200 0.052 0.000 0.847 145 S CB 1.951 65.190 63.200 0.065 0.000 1.169 145 S HN 0.210 8.548 8.310 0.048 0.000 0.501 146 A N 2.226 125.079 122.820 0.056 0.000 2.806 146 A HA 0.422 4.846 4.320 0.034 -0.083 0.266 146 A C -1.939 175.683 177.584 0.063 0.000 0.926 146 A CA -1.139 50.922 52.037 0.039 0.000 1.068 146 A CB 0.778 19.783 19.000 0.008 0.000 1.189 146 A HN 0.707 9.366 8.150 0.065 -0.471 0.481 147 L N -1.200 120.088 121.223 0.109 0.000 3.586 147 L HA 0.119 4.559 4.340 0.167 0.000 0.267 147 L C -2.804 174.188 176.870 0.202 0.000 0.980 147 L CA 0.786 55.728 54.840 0.170 0.000 1.199 147 L CB 2.858 45.042 42.059 0.208 0.000 1.946 147 L HN -0.649 7.646 8.230 0.109 0.000 0.595 148 M N 4.458 124.219 119.600 0.268 0.000 2.272 148 M HA 0.241 4.872 4.480 0.250 0.000 0.240 148 M C -2.498 174.125 176.300 0.538 0.000 0.991 148 M CA -0.311 55.183 55.300 0.324 0.000 1.008 148 M CB 1.651 34.433 32.600 0.304 0.000 2.221 148 M HN 0.015 8.466 8.290 0.270 0.000 0.469 149 F N 0.753 120.818 119.950 0.191 0.000 2.926 149 F HA 0.062 4.753 4.527 0.272 0.000 0.321 149 F C -1.295 174.520 175.800 0.026 0.000 1.168 149 F CA -0.517 57.569 58.000 0.144 0.000 0.890 149 F CB 2.936 41.988 39.000 0.087 0.000 1.357 149 F HN -0.278 8.215 8.300 0.321 0.000 0.468 150 N N -0.648 117.885 118.700 -0.279 0.000 2.263 150 N HA -0.016 4.625 4.740 -0.164 0.000 0.239 150 N C -0.893 174.614 175.510 -0.004 0.000 1.317 150 N CA 0.283 53.212 53.050 -0.202 0.000 0.909 150 N CB 0.512 38.784 38.487 -0.358 0.000 1.171 150 N HN 0.276 8.068 8.380 -0.980 0.000 0.492 151 L N -0.565 120.655 121.223 -0.005 0.000 2.658 151 L HA 0.198 4.603 4.340 0.109 0.000 0.222 151 L C -0.611 176.291 176.870 0.053 0.000 1.033 151 L CA 1.521 56.395 54.840 0.057 0.000 0.949 151 L CB 0.361 42.451 42.059 0.051 0.000 1.698 151 L HN 0.244 8.449 8.230 -0.042 0.000 0.498 152 Q N -1.791 118.024 119.800 0.026 0.000 2.399 152 Q HA 0.077 4.445 4.340 0.045 0.000 0.307 152 Q C -1.028 174.997 176.000 0.041 0.000 0.933 152 Q CA -0.311 55.513 55.803 0.035 0.000 0.995 152 Q CB 0.016 28.769 28.738 0.026 0.000 1.191 152 Q HN -0.076 8.197 8.270 0.006 0.000 0.426 153 E N 0.258 120.485 120.200 0.044 0.000 2.277 153 E HA 0.410 4.792 4.350 0.054 0.000 0.274 153 E C -1.796 174.898 176.600 0.158 0.000 1.022 153 E CA -2.259 54.177 56.400 0.059 0.000 0.853 153 E CB 0.724 30.387 29.700 -0.062 0.000 1.086 153 E HN -0.200 8.091 8.360 0.046 0.096 0.397 154 P HA 0.128 4.588 4.420 0.067 0.000 0.276 154 P C -1.325 176.221 177.300 0.410 0.000 1.244 154 P CA -0.042 63.182 63.100 0.207 0.000 0.801 154 P CB 0.547 32.409 31.700 0.271 0.000 1.006 155 Y N -7.121 113.274 120.300 0.157 0.000 4.409 155 Y HA -0.294 4.319 4.550 0.105 0.000 0.228 155 Y C -1.250 174.814 175.900 0.275 0.000 1.108 155 Y CA 1.181 59.393 58.100 0.187 0.000 1.955 155 Y CB -2.229 36.362 38.460 0.219 0.000 1.615 155 Y HN 0.305 8.437 8.280 -0.247 0.000 0.665 156 F N -3.510 116.554 119.950 0.189 0.000 2.463 156 F HA 0.146 4.758 4.527 0.142 0.000 0.271 156 F C 0.909 176.740 175.800 0.051 0.000 0.888 156 F CA 0.767 58.850 58.000 0.139 0.000 1.149 156 F CB 2.454 41.557 39.000 0.172 0.000 1.071 156 F HN -0.767 7.709 8.300 0.375 0.049 0.802 157 T N 1.274 115.959 114.554 0.220 0.000 2.904 157 T HA -0.307 4.034 4.350 -0.014 0.000 0.267 157 T C 1.169 175.820 174.700 -0.081 0.000 1.059 157 T CA 3.053 65.174 62.100 0.035 0.000 1.137 157 T CB -0.246 68.645 68.868 0.037 0.000 0.879 157 T HN -0.618 7.792 8.240 0.284 0.000 0.467 158 W N 1.481 122.647 121.300 -0.224 0.000 2.353 158 W HA -0.113 4.266 4.660 -0.468 0.000 0.319 158 W C -1.675 174.639 176.519 -0.341 0.000 1.207 158 W CA 4.201 61.331 57.345 -0.359 0.000 1.291 158 W CB -1.193 28.041 29.460 -0.376 0.000 1.159 158 W HN 0.256 8.517 8.180 0.168 0.019 0.478 159 P HA -0.300 4.187 4.420 0.111 0.000 0.220 159 P C 0.661 177.817 177.300 -0.240 0.000 1.148 159 P CA 2.289 65.428 63.100 0.066 0.000 0.803 159 P CB -0.321 31.469 31.700 0.151 0.000 0.782 160 L N -2.037 119.007 121.223 -0.299 0.000 1.988 160 L HA -0.256 3.844 4.340 -0.399 0.000 0.207 160 L C 2.026 178.592 176.870 -0.507 0.000 1.071 160 L CA 3.162 57.751 54.840 -0.420 0.000 0.744 160 L CB 0.196 41.993 42.059 -0.437 0.000 0.893 160 L HN -0.865 7.200 8.230 -0.227 0.029 0.433 161 I N -4.116 116.146 120.570 -0.513 0.000 3.444 161 I HA -0.352 3.536 4.170 -0.470 0.000 0.287 161 I C 0.607 176.366 176.117 -0.598 0.000 1.302 161 I CA 1.741 62.734 61.300 -0.511 0.000 1.368 161 I CB -0.440 37.294 38.000 -0.445 0.000 1.048 161 I HN -0.393 7.536 8.210 -0.468 0.000 0.487 162 A N 0.515 122.883 122.820 -0.754 0.000 1.855 162 A HA -0.162 3.578 4.320 -0.966 0.000 0.213 162 A C -0.088 177.209 177.584 -0.478 0.000 1.195 162 A CA 2.231 53.740 52.037 -0.881 0.000 0.610 162 A CB -0.017 18.174 19.000 -1.348 0.000 0.837 162 A HN -0.444 7.181 8.150 -0.687 0.113 0.444 163 A N -5.871 116.739 122.820 -0.350 0.000 2.833 163 A HA 0.035 4.254 4.320 -0.168 0.000 0.293 163 A C -1.605 175.888 177.584 -0.151 0.000 1.338 163 A CA -0.515 51.404 52.037 -0.196 0.000 0.959 163 A CB -0.311 18.610 19.000 -0.132 0.000 1.094 163 A HN -0.666 7.261 8.150 -0.373 0.000 0.569 164 D N -2.602 117.681 120.400 -0.196 0.000 2.431 164 D HA 0.106 4.701 4.640 -0.075 0.000 0.227 164 D C 0.445 176.711 176.300 -0.056 0.000 1.030 164 D CA 1.216 55.129 54.000 -0.146 0.000 0.897 164 D CB 1.874 42.491 40.800 -0.305 0.000 1.058 164 D HN -0.470 7.658 8.370 -0.250 0.092 0.500 165 G N -4.178 104.581 108.800 -0.068 0.000 3.851 165 G HA2 0.218 4.183 3.960 0.008 0.000 0.194 165 G HA3 0.218 4.172 3.960 -0.010 0.000 0.194 165 G C -0.977 173.917 174.900 -0.010 0.000 1.402 165 G CA -0.255 44.835 45.100 -0.017 0.000 0.901 165 G HN -0.523 7.697 8.290 -0.116 0.000 0.685 166 G N -1.542 107.237 108.800 -0.036 0.000 2.355 166 G HA2 0.127 4.073 3.960 -0.023 0.000 0.296 166 G HA3 0.127 4.094 3.960 0.012 0.000 0.296 166 G C -3.191 171.726 174.900 0.029 0.000 1.507 166 G CA 0.264 45.357 45.100 -0.012 0.000 0.823 166 G HN -0.947 7.300 8.290 -0.070 0.000 0.569 167 Y N -2.971 117.224 120.300 -0.175 0.000 2.980 167 Y HA -0.122 4.362 4.550 -0.109 0.000 0.142 167 Y C -1.591 174.266 175.900 -0.072 0.000 0.999 167 Y CA 2.301 60.298 58.100 -0.172 0.000 1.833 167 Y CB 1.211 39.449 38.460 -0.370 0.000 1.290 167 Y HN 0.246 8.521 8.280 -0.009 0.000 0.258 168 A N -0.845 121.926 122.820 -0.081 0.000 1.938 168 A HA 0.101 4.392 4.320 -0.049 0.000 0.207 168 A C -1.834 175.730 177.584 -0.032 0.000 1.292 168 A CA 1.039 52.991 52.037 -0.142 0.000 0.700 168 A CB 1.393 20.223 19.000 -0.283 0.000 0.947 168 A HN 0.357 8.411 8.150 -0.160 0.000 0.476 169 F N -6.628 113.393 119.950 0.117 0.000 2.711 169 F HA 0.713 5.305 4.527 0.108 0.000 0.313 169 F C -1.680 174.218 175.800 0.164 0.000 1.141 169 F CA -2.806 55.277 58.000 0.138 0.000 0.941 169 F CB 1.919 41.028 39.000 0.182 0.000 1.349 169 F HN -0.855 7.029 8.300 -0.693 0.000 0.464 170 K N 0.011 120.705 120.400 0.490 0.000 2.156 170 K HA 0.308 4.815 4.320 0.312 0.000 0.271 170 K C -1.179 175.705 176.600 0.475 0.000 0.995 170 K CA -0.780 55.728 56.287 0.369 0.000 0.890 170 K CB 1.406 34.030 32.500 0.206 0.000 1.073 170 K HN 0.482 8.990 8.250 0.430 0.000 0.454 171 Y N 4.474 124.925 120.300 0.252 0.000 2.353 171 Y HA 0.387 5.295 4.550 0.202 -0.237 0.340 171 Y C -0.128 175.838 175.900 0.111 0.000 0.972 171 Y CA -1.011 57.213 58.100 0.207 0.000 1.157 171 Y CB 1.068 39.672 38.460 0.239 0.000 1.157 171 Y HN 0.325 8.872 8.280 0.444 0.000 0.495 172 E N 7.014 127.185 120.200 -0.049 0.000 2.207 172 E HA 0.067 4.437 4.350 0.033 0.000 0.250 172 E C -0.887 175.646 176.600 -0.112 0.000 0.890 172 E CA -0.920 55.457 56.400 -0.038 0.000 0.749 172 E CB 0.903 30.584 29.700 -0.033 0.000 1.193 172 E HN 0.024 8.258 8.360 -0.210 0.000 0.423 173 N N 3.442 122.115 118.700 -0.044 0.000 2.747 173 N HA -0.302 4.444 4.740 0.010 0.000 0.249 173 N C -1.399 174.040 175.510 -0.119 0.000 1.107 173 N CA 0.497 53.520 53.050 -0.046 0.000 0.707 173 N CB -0.459 37.999 38.487 -0.048 0.000 1.054 173 N HN 0.826 9.219 8.380 0.023 0.000 0.555 174 G N -4.529 104.127 108.800 -0.241 0.000 2.370 174 G HA2 -0.306 3.321 3.960 -0.555 0.000 0.268 174 G HA3 -0.306 3.570 3.960 -0.141 0.000 0.268 174 G C -1.897 172.608 174.900 -0.657 0.000 1.122 174 G CA -0.231 44.619 45.100 -0.417 0.000 0.963 174 G HN -0.171 7.975 8.290 -0.202 0.023 0.500 175 K N -1.038 118.796 120.400 -0.943 0.000 2.535 175 K HA 0.338 4.179 4.320 -0.798 0.000 0.250 175 K C -1.860 174.337 176.600 -0.672 0.000 0.948 175 K CA -1.069 54.776 56.287 -0.737 0.000 0.796 175 K CB 2.841 35.076 32.500 -0.441 0.000 1.216 175 K HN -0.443 7.133 8.250 -1.124 0.000 0.432 176 Y N -0.544 119.490 120.300 -0.443 0.000 2.419 176 Y HA 0.519 4.858 4.550 -0.351 0.000 0.328 176 Y C -0.495 175.213 175.900 -0.320 0.000 1.162 176 Y CA -2.369 55.433 58.100 -0.497 0.000 1.174 176 Y CB 1.189 39.095 38.460 -0.923 0.000 1.228 176 Y HN 0.038 7.454 8.280 -1.439 0.000 0.473 177 D N 1.706 122.098 120.400 -0.013 0.000 2.423 177 D HA 0.059 4.701 4.640 0.004 0.000 0.255 177 D C -0.466 175.896 176.300 0.103 0.000 1.174 177 D CA 0.075 54.112 54.000 0.062 0.000 1.008 177 D CB 1.125 42.005 40.800 0.134 0.000 1.101 177 D HN -0.147 8.231 8.370 0.013 0.000 0.516 178 I N -0.685 119.938 120.570 0.087 0.000 3.523 178 I HA -0.037 4.190 4.170 0.094 0.000 0.244 178 I C 0.278 176.444 176.117 0.081 0.000 1.110 178 I CA 1.184 62.534 61.300 0.084 0.000 1.517 178 I CB 0.551 38.587 38.000 0.060 0.000 1.505 178 I HN 0.139 8.388 8.210 0.065 0.000 0.460 179 K N -1.599 118.841 120.400 0.067 0.000 2.681 179 K HA 0.085 4.445 4.320 0.068 0.000 0.211 179 K C -1.505 175.137 176.600 0.070 0.000 1.075 179 K CA -0.156 56.169 56.287 0.063 0.000 1.141 179 K CB 0.618 33.145 32.500 0.045 0.000 0.896 179 K HN -0.094 8.190 8.250 0.056 0.000 0.470 180 D N 0.412 120.867 120.400 0.093 0.000 2.420 180 D HA 0.140 4.826 4.640 0.077 0.000 0.255 180 D C -1.710 174.667 176.300 0.129 0.000 1.185 180 D CA -0.722 53.336 54.000 0.096 0.000 0.904 180 D CB 1.123 41.975 40.800 0.086 0.000 1.102 180 D HN -0.472 7.880 8.370 0.110 0.084 0.534 181 V N 3.728 123.706 119.914 0.108 0.000 2.743 181 V HA 0.257 4.716 4.120 0.140 -0.256 0.301 181 V C 0.851 176.992 176.094 0.078 0.000 1.057 181 V CA -1.612 60.753 62.300 0.108 0.000 1.006 181 V CB 0.890 32.774 31.823 0.101 0.000 1.024 181 V HN 0.103 8.346 8.190 0.088 0.000 0.473 182 G N 3.796 112.633 108.800 0.062 0.000 4.637 182 G HA2 0.273 4.257 3.960 0.039 0.000 0.294 182 G HA3 0.273 4.267 3.960 0.056 0.000 0.294 182 G C -0.446 174.453 174.900 -0.001 0.000 1.215 182 G CA 0.040 45.164 45.100 0.040 0.000 0.943 182 G HN -0.055 8.272 8.290 0.061 0.000 0.572 183 V N 0.881 120.774 119.914 -0.035 0.000 2.535 183 V HA -0.178 3.866 4.120 -0.126 0.000 0.246 183 V C -0.633 175.425 176.094 -0.061 0.000 1.045 183 V CA 1.578 63.815 62.300 -0.106 0.000 1.058 183 V CB 0.247 31.954 31.823 -0.194 0.000 0.689 183 V HN -0.080 8.101 8.190 -0.014 0.000 0.461 184 D N -0.288 120.092 120.400 -0.033 0.000 2.994 184 D HA 0.052 4.676 4.640 -0.026 0.000 0.240 184 D C -1.142 175.156 176.300 -0.003 0.000 1.195 184 D CA -0.536 53.453 54.000 -0.019 0.000 0.957 184 D CB -2.161 38.631 40.800 -0.013 0.000 1.105 184 D HN 0.186 8.542 8.370 -0.023 0.000 0.477 185 N N -0.774 117.926 118.700 -0.000 0.000 2.405 185 N HA 0.112 4.859 4.740 0.012 0.000 0.285 185 N C -0.013 175.505 175.510 0.013 0.000 1.262 185 N CA -0.623 52.434 53.050 0.011 0.000 0.773 185 N CB 3.169 41.666 38.487 0.017 0.000 1.490 185 N HN -0.573 7.721 8.380 -0.006 0.081 0.486 186 A N 1.128 123.959 122.820 0.018 0.000 1.972 186 A HA -0.151 4.182 4.320 0.022 0.000 0.219 186 A C 1.461 179.061 177.584 0.027 0.000 1.169 186 A CA 2.990 55.041 52.037 0.023 0.000 0.635 186 A CB 0.009 19.024 19.000 0.026 0.000 0.810 186 A HN 0.559 8.721 8.150 0.019 0.000 0.446 187 G N -1.176 107.638 108.800 0.023 0.000 2.453 187 G HA2 -0.387 3.588 3.960 0.025 0.000 0.215 187 G HA3 -0.387 3.581 3.960 0.013 0.000 0.215 187 G C 0.766 175.666 174.900 0.001 0.000 1.201 187 G CA 1.506 46.616 45.100 0.016 0.000 0.784 187 G HN 0.012 8.294 8.290 0.022 0.022 0.545 188 A N 1.143 123.968 122.820 0.007 0.000 1.972 188 A HA -0.229 4.150 4.320 -0.001 -0.060 0.219 188 A C 1.764 179.360 177.584 0.021 0.000 1.169 188 A CA 2.539 54.590 52.037 0.023 0.000 0.635 188 A CB -0.727 18.308 19.000 0.057 0.000 0.810 188 A HN 0.197 8.354 8.150 0.012 0.000 0.446 189 K N -1.324 119.087 120.400 0.019 0.000 2.031 189 K HA -0.241 4.091 4.320 0.020 0.000 0.205 189 K C 1.997 178.617 176.600 0.033 0.000 1.049 189 K CA 2.704 59.003 56.287 0.021 0.000 0.939 189 K CB 0.059 32.569 32.500 0.018 0.000 0.717 189 K HN -0.463 7.778 8.250 0.018 0.020 0.438 190 A N -1.760 121.088 122.820 0.046 0.000 1.978 190 A HA -0.076 4.308 4.320 0.105 0.000 0.220 190 A C 2.544 180.193 177.584 0.109 0.000 1.170 190 A CA 2.707 54.800 52.037 0.093 0.000 0.636 190 A CB -0.550 18.512 19.000 0.103 0.000 0.810 190 A HN 0.362 8.420 8.150 0.037 0.114 0.448 191 G N -1.075 107.732 108.800 0.011 0.000 2.454 191 G HA2 -0.214 3.677 3.960 -0.116 0.000 0.214 191 G HA3 -0.214 3.644 3.960 -0.170 0.000 0.214 191 G C 0.860 175.733 174.900 -0.045 0.000 1.217 191 G CA 1.607 46.657 45.100 -0.084 0.000 0.799 191 G HN -0.450 7.812 8.290 -0.005 0.025 0.538 192 L N 1.413 122.610 121.223 -0.043 0.000 2.127 192 L HA -0.204 4.100 4.340 -0.060 0.000 0.211 192 L C 2.201 179.077 176.870 0.009 0.000 1.089 192 L CA 2.533 57.356 54.840 -0.027 0.000 0.757 192 L CB -0.575 41.483 42.059 -0.002 0.000 0.899 192 L HN -0.480 7.726 8.230 -0.040 0.000 0.434 193 T N -2.444 112.130 114.554 0.033 0.000 2.951 193 T HA -0.297 4.055 4.350 0.003 0.000 0.268 193 T C 2.009 176.726 174.700 0.028 0.000 1.073 193 T CA 3.777 65.892 62.100 0.025 0.000 1.134 193 T CB -0.211 68.672 68.868 0.026 0.000 0.884 193 T HN 0.044 8.282 8.240 0.038 0.025 0.479 194 F N 3.683 123.607 119.950 -0.043 0.000 2.118 194 F HA -0.043 4.724 4.527 -0.006 -0.243 0.293 194 F C 1.409 177.176 175.800 -0.055 0.000 1.102 194 F CA 3.070 61.050 58.000 -0.033 0.000 1.247 194 F CB 0.726 39.711 39.000 -0.024 0.000 1.017 194 F HN -0.518 7.757 8.300 0.206 0.148 0.475 195 L N -3.016 118.299 121.223 0.154 0.000 2.201 195 L HA -0.316 4.079 4.340 0.092 0.000 0.212 195 L C 1.652 178.542 176.870 0.033 0.000 1.105 195 L CA 2.365 57.240 54.840 0.058 0.000 0.775 195 L CB -0.046 41.993 42.059 -0.033 0.000 0.913 195 L HN -0.135 8.163 8.230 0.114 0.000 0.440 196 V N -1.192 118.731 119.914 0.015 0.000 2.346 196 V HA -0.304 3.821 4.120 0.008 0.000 0.244 196 V C 0.917 177.003 176.094 -0.012 0.000 1.037 196 V CA 2.989 65.290 62.300 0.002 0.000 1.029 196 V CB 0.172 31.993 31.823 -0.004 0.000 0.663 196 V HN -0.524 7.652 8.190 0.020 0.025 0.454 197 D N -0.181 120.193 120.400 -0.043 0.000 2.218 197 D HA -0.318 4.290 4.640 -0.052 0.000 0.204 197 D C 2.312 178.577 176.300 -0.058 0.000 0.976 197 D CA 2.883 56.839 54.000 -0.074 0.000 0.853 197 D CB -0.823 39.888 40.800 -0.148 0.000 0.939 197 D HN -0.560 7.781 8.370 -0.048 0.000 0.481 198 L N -1.820 119.383 121.223 -0.032 0.000 2.127 198 L HA -0.299 4.039 4.340 -0.005 0.000 0.211 198 L C 0.776 177.662 176.870 0.028 0.000 1.089 198 L CA 2.772 57.620 54.840 0.013 0.000 0.757 198 L CB 0.119 42.220 42.059 0.071 0.000 0.899 198 L HN -0.805 7.381 8.230 -0.023 0.030 0.434 199 I N -4.482 116.102 120.570 0.024 0.000 2.206 199 I HA -0.355 3.842 4.170 0.046 0.000 0.239 199 I C 1.462 177.597 176.117 0.029 0.000 1.078 199 I CA 3.216 64.536 61.300 0.033 0.000 1.367 199 I CB 0.494 38.511 38.000 0.028 0.000 1.078 199 I HN -0.728 7.358 8.210 0.015 0.134 0.413 200 K N -1.363 119.044 120.400 0.011 0.000 2.283 200 K HA -0.265 4.066 4.320 0.018 0.000 0.202 200 K C 1.177 177.775 176.600 -0.004 0.000 1.048 200 K CA 2.708 58.998 56.287 0.006 0.000 0.948 200 K CB -0.422 32.075 32.500 -0.005 0.000 0.742 200 K HN -0.707 7.545 8.250 0.003 0.000 0.458 201 N N -2.392 116.301 118.700 -0.012 0.000 2.313 201 N HA -0.034 4.689 4.740 -0.027 0.000 0.207 201 N C -0.645 174.861 175.510 -0.007 0.000 1.141 201 N CA 0.755 53.792 53.050 -0.023 0.000 0.830 201 N CB 0.752 39.211 38.487 -0.047 0.000 1.008 201 N HN 0.070 8.309 8.380 -0.011 0.134 0.481 202 K N -1.251 119.158 120.400 0.015 0.000 2.506 202 K HA 0.080 4.409 4.320 0.015 0.000 0.237 202 K C 0.634 177.246 176.600 0.020 0.000 1.276 202 K CA 1.263 57.569 56.287 0.033 0.000 0.753 202 K CB 1.531 34.075 32.500 0.074 0.000 1.627 202 K HN -0.491 7.587 8.250 0.023 0.185 0.397 203 H N -2.192 116.879 119.070 0.001 0.000 3.058 203 H HA 0.256 4.811 4.556 -0.002 0.000 0.266 203 H C 0.085 175.411 175.328 -0.004 0.000 1.135 203 H CA -0.425 55.622 56.048 -0.002 0.000 1.174 203 H CB 1.509 31.270 29.762 -0.003 0.000 1.581 203 H HN -0.512 7.857 8.280 0.149 0.000 0.553 204 M N -2.816 116.845 119.600 0.101 0.000 2.436 204 M HA -0.498 4.008 4.480 0.043 0.000 0.197 204 M C -1.750 174.596 176.300 0.077 0.000 0.442 204 M CA 2.097 57.434 55.300 0.062 0.000 0.473 204 M CB -2.387 30.230 32.600 0.028 0.000 1.685 204 M HN -0.502 7.838 8.290 0.084 0.000 0.835 205 N N -0.352 118.406 118.700 0.097 0.000 2.354 205 N HA 0.012 4.778 4.740 0.043 0.000 0.253 205 N C -0.930 174.586 175.510 0.011 0.000 1.096 205 N CA 0.296 53.379 53.050 0.054 0.000 0.820 205 N CB 2.376 40.902 38.487 0.065 0.000 1.610 205 N HN -0.006 8.412 8.380 0.121 0.034 0.501 206 A N -0.668 122.153 122.820 0.003 0.000 2.381 206 A HA -0.193 4.119 4.320 -0.014 0.000 0.283 206 A C -1.079 176.473 177.584 -0.053 0.000 1.419 206 A CA 1.031 53.057 52.037 -0.018 0.000 0.727 206 A CB -1.794 17.206 19.000 0.000 0.000 1.152 206 A HN 0.179 8.348 8.150 0.032 0.000 0.366 207 D N -1.635 118.703 120.400 -0.104 0.000 2.559 207 D HA -0.011 4.576 4.640 -0.087 0.000 0.234 207 D C -0.766 175.461 176.300 -0.121 0.000 1.226 207 D CA -0.599 53.330 54.000 -0.119 0.000 0.830 207 D CB -0.200 40.499 40.800 -0.168 0.000 1.028 207 D HN 0.015 8.306 8.370 -0.132 0.000 0.492 208 T N 2.802 117.295 114.554 -0.100 0.000 2.756 208 T HA 0.131 4.399 4.350 -0.137 0.000 0.290 208 T C -0.960 173.672 174.700 -0.113 0.000 0.985 208 T CA -0.398 61.635 62.100 -0.113 0.000 0.955 208 T CB 1.243 70.056 68.868 -0.091 0.000 0.930 208 T HN -0.502 7.614 8.240 -0.078 0.077 0.451 209 D N 4.783 125.083 120.400 -0.166 0.000 2.469 209 D HA 0.084 4.677 4.640 -0.079 0.000 0.278 209 D C 1.569 177.744 176.300 -0.209 0.000 1.231 209 D CA -1.294 52.596 54.000 -0.182 0.000 1.075 209 D CB 2.359 42.969 40.800 -0.316 0.000 1.121 209 D HN 0.149 8.402 8.370 -0.195 0.000 0.571 210 Y N -3.293 116.915 120.300 -0.153 0.000 2.243 210 Y HA -0.124 4.271 4.550 -0.258 0.000 0.293 210 Y C 1.339 177.051 175.900 -0.314 0.000 1.124 210 Y CA 2.475 60.441 58.100 -0.222 0.000 1.159 210 Y CB 0.044 38.411 38.460 -0.156 0.000 1.008 210 Y HN 0.164 8.280 8.280 -0.274 0.000 0.527 211 S N 0.307 115.471 115.700 -0.894 0.000 2.461 211 S HA -0.164 3.993 4.470 -0.523 0.000 0.228 211 S C 1.580 175.887 174.600 -0.487 0.000 1.005 211 S CA 2.272 60.094 58.200 -0.630 0.000 0.942 211 S CB -0.148 62.678 63.200 -0.623 0.000 0.776 211 S HN -0.006 7.285 8.310 -1.697 0.000 0.514 212 I N 1.141 121.445 120.570 -0.443 0.000 2.270 212 I HA -0.295 3.694 4.170 -0.303 0.000 0.239 212 I C 0.779 176.710 176.117 -0.310 0.000 1.080 212 I CA 2.486 63.591 61.300 -0.325 0.000 1.383 212 I CB -0.211 37.635 38.000 -0.258 0.000 1.097 212 I HN -0.413 7.374 8.210 -0.505 0.121 0.420 213 A N -2.019 120.631 122.820 -0.284 0.000 1.978 213 A HA -0.345 3.870 4.320 -0.174 0.000 0.220 213 A C 1.976 179.358 177.584 -0.337 0.000 1.170 213 A CA 3.016 54.907 52.037 -0.243 0.000 0.636 213 A CB -0.742 18.134 19.000 -0.207 0.000 0.810 213 A HN -0.304 7.568 8.150 -0.279 0.110 0.448 214 E N -3.074 116.832 120.200 -0.490 0.000 2.170 214 E HA -0.236 3.800 4.350 -0.523 0.000 0.191 214 E C 1.542 177.439 176.600 -1.171 0.000 0.981 214 E CA 2.491 58.447 56.400 -0.740 0.000 0.830 214 E CB 0.056 29.357 29.700 -0.665 0.000 0.775 214 E HN -0.558 7.500 8.360 -0.458 0.028 0.470 215 A N -0.559 121.834 122.820 -0.711 0.000 2.015 215 A HA -0.155 3.786 4.320 -0.632 0.000 0.219 215 A C 1.678 178.962 177.584 -0.500 0.000 1.163 215 A CA 2.370 54.061 52.037 -0.576 0.000 0.646 215 A CB -1.042 17.742 19.000 -0.360 0.000 0.806 215 A HN -0.691 7.013 8.150 -0.551 0.116 0.448 216 A N -1.086 121.486 122.820 -0.414 0.000 1.859 216 A HA -0.296 3.936 4.320 -0.146 0.000 0.217 216 A C 1.400 178.903 177.584 -0.135 0.000 1.198 216 A CA 3.068 54.987 52.037 -0.197 0.000 0.629 216 A CB -0.769 18.190 19.000 -0.068 0.000 0.830 216 A HN -0.476 7.388 8.150 -0.421 0.033 0.446 217 F N -5.901 114.036 119.950 -0.021 0.000 2.293 217 F HA -0.169 4.372 4.527 0.022 0.000 0.297 217 F C 1.917 177.709 175.800 -0.013 0.000 1.089 217 F CA 0.869 58.876 58.000 0.012 0.000 1.377 217 F CB -0.644 38.397 39.000 0.069 0.000 1.051 217 F HN -0.855 7.221 8.300 -0.374 0.000 0.511 218 N N 0.268 118.602 118.700 -0.610 0.000 2.550 218 N HA -0.135 4.630 4.740 0.042 0.000 0.186 218 N C 1.224 176.638 175.510 -0.159 0.000 1.110 218 N CA 1.554 54.431 53.050 -0.288 0.000 0.912 218 N CB -0.588 37.588 38.487 -0.517 0.000 0.968 218 N HN -0.440 6.971 8.380 -1.514 0.062 0.448 219 K N -2.480 117.822 120.400 -0.163 0.000 2.288 219 K HA -0.019 4.241 4.320 -0.100 0.000 0.201 219 K C 0.052 176.633 176.600 -0.033 0.000 1.048 219 K CA 0.613 56.842 56.287 -0.095 0.000 0.956 219 K CB 0.363 32.805 32.500 -0.097 0.000 0.746 219 K HN -0.045 7.890 8.250 -0.214 0.186 0.461 220 G N -2.732 106.069 108.800 0.002 0.000 3.125 220 G HA2 0.096 4.066 3.960 0.016 0.000 0.136 220 G HA3 0.096 4.070 3.960 0.023 0.000 0.136 220 G C -2.153 172.780 174.900 0.056 0.000 1.411 220 G CA 1.043 46.158 45.100 0.025 0.000 1.130 220 G HN -0.735 7.531 8.290 0.011 0.031 0.701 221 E N 0.883 121.128 120.200 0.075 0.000 3.349 221 E HA 0.131 4.555 4.350 0.123 0.000 0.381 221 E C -1.777 174.875 176.600 0.086 0.000 1.019 221 E CA 0.362 56.816 56.400 0.090 0.000 0.717 221 E CB 0.829 30.569 29.700 0.066 0.000 1.362 221 E HN -0.059 8.342 8.360 0.068 0.000 0.458 222 T N 3.505 118.126 114.554 0.111 0.000 2.841 222 T HA 0.340 4.733 4.350 0.072 0.000 0.276 222 T C 0.074 174.818 174.700 0.073 0.000 1.003 222 T CA -2.159 59.997 62.100 0.092 0.000 0.995 222 T CB 2.080 71.017 68.868 0.115 0.000 1.260 222 T HN 0.265 8.596 8.240 0.152 0.000 0.581 223 A N 3.411 126.262 122.820 0.052 0.000 2.426 223 A HA 0.012 4.347 4.320 0.025 0.000 0.247 223 A C -1.496 176.087 177.584 -0.001 0.000 1.389 223 A CA 0.080 52.128 52.037 0.019 0.000 1.129 223 A CB -0.920 18.076 19.000 -0.006 0.000 0.928 223 A HN 0.063 8.246 8.150 0.054 0.000 0.557 224 M N -0.793 118.819 119.600 0.021 0.000 2.380 224 M HA 0.072 4.507 4.480 -0.075 0.000 0.202 224 M C -2.052 174.186 176.300 -0.103 0.000 0.975 224 M CA 0.676 55.965 55.300 -0.018 0.000 0.971 224 M CB 2.779 35.422 32.600 0.073 0.000 2.685 224 M HN -0.452 7.743 8.290 0.052 0.127 0.431 225 T N 6.553 120.970 114.554 -0.228 0.000 3.066 225 T HA 0.357 4.134 4.350 -0.955 0.000 0.318 225 T C -2.037 172.434 174.700 -0.381 0.000 0.979 225 T CA -0.489 61.341 62.100 -0.450 0.000 1.025 225 T CB 1.428 70.173 68.868 -0.204 0.000 1.002 225 T HN 0.343 8.482 8.240 -0.170 0.000 0.453 226 I N 5.564 125.861 120.570 -0.454 0.000 2.441 226 I HA 0.418 4.622 4.170 -0.206 -0.157 0.295 226 I C -0.770 175.274 176.117 -0.122 0.000 0.994 226 I CA -1.154 59.995 61.300 -0.251 0.000 1.144 226 I CB 2.441 40.214 38.000 -0.378 0.000 1.314 226 I HN 0.055 7.900 8.210 -0.609 0.000 0.445 227 N N 5.844 124.445 118.700 -0.164 0.000 2.487 227 N HA 0.206 4.808 4.740 -0.229 0.000 0.292 227 N C -0.612 174.618 175.510 -0.467 0.000 1.108 227 N CA 0.037 52.898 53.050 -0.315 0.000 0.956 227 N CB 1.917 40.141 38.487 -0.439 0.000 1.176 227 N HN -0.084 8.208 8.380 -0.147 0.000 0.484 228 G N -1.188 107.212 108.800 -0.666 0.000 2.753 228 G HA2 0.230 3.680 3.960 -0.850 0.000 0.303 228 G HA3 0.230 4.091 3.960 -0.164 0.000 0.303 228 G C -3.120 171.399 174.900 -0.634 0.000 1.242 228 G CA -0.144 44.559 45.100 -0.661 0.000 0.810 228 G HN -0.084 7.883 8.290 -0.538 0.000 0.515 229 P HA 0.055 4.877 4.420 0.670 0.000 0.252 229 P C -1.884 175.630 177.300 0.356 0.000 1.694 229 P CA 0.149 63.487 63.100 0.396 0.000 1.163 229 P CB -0.987 30.924 31.700 0.352 0.000 1.934 230 W N 4.323 125.645 121.300 0.036 0.000 5.194 230 W HA 0.033 4.720 4.660 0.045 0.000 0.160 230 W C -1.410 175.127 176.519 0.031 0.000 1.096 230 W CA 1.247 58.605 57.345 0.021 0.000 1.802 230 W CB 1.691 31.143 29.460 -0.012 0.000 0.525 230 W HN 0.287 8.575 8.180 0.235 0.033 1.087 231 A N -1.933 121.018 122.820 0.219 0.000 3.124 231 A HA 0.132 4.503 4.320 0.085 0.000 0.295 231 A C -1.204 176.440 177.584 0.100 0.000 1.199 231 A CA 0.149 52.263 52.037 0.128 0.000 0.845 231 A CB -0.122 18.971 19.000 0.155 0.000 1.381 231 A HN -0.285 7.971 8.150 0.177 0.000 0.537 232 W N 1.809 123.149 121.300 0.067 0.000 2.523 232 W HA -0.033 4.662 4.660 0.060 0.000 0.278 232 W C -0.694 175.833 176.519 0.014 0.000 1.236 232 W CA 0.880 58.252 57.345 0.044 0.000 1.306 232 W CB 0.823 30.302 29.460 0.032 0.000 1.101 232 W HN 0.211 8.619 8.180 0.379 0.000 0.577 233 S N -4.362 111.469 115.700 0.219 0.000 2.542 233 S HA 0.145 4.679 4.470 0.107 0.000 0.293 233 S C -1.092 173.541 174.600 0.056 0.000 1.089 233 S CA -0.626 57.641 58.200 0.111 0.000 0.961 233 S CB 2.526 65.771 63.200 0.075 0.000 1.062 233 S HN -0.469 7.970 8.310 0.215 0.000 0.483 234 N N 1.226 119.944 118.700 0.029 0.000 2.577 234 N HA 0.119 4.861 4.740 0.004 0.000 0.285 234 N C 0.152 175.664 175.510 0.002 0.000 1.658 234 N CA -0.070 52.985 53.050 0.009 0.000 0.865 234 N CB 0.074 38.564 38.487 0.006 0.000 1.419 234 N HN 0.338 8.736 8.380 0.030 0.000 0.495 235 I N -3.676 116.897 120.570 0.004 0.000 4.701 235 I HA -0.600 3.570 4.170 0.000 0.000 0.046 235 I C -1.163 174.958 176.117 0.007 0.000 0.626 235 I CA 2.725 64.026 61.300 0.002 0.000 0.723 235 I CB -1.029 36.970 38.000 -0.002 0.000 0.675 235 I HN -0.145 8.069 8.210 0.007 0.000 0.157 236 D N -0.554 119.848 120.400 0.004 0.000 2.692 236 D HA 0.167 4.815 4.640 0.013 0.000 0.290 236 D C -1.723 174.571 176.300 -0.010 0.000 1.281 236 D CA -0.164 53.840 54.000 0.007 0.000 0.804 236 D CB 2.958 43.768 40.800 0.017 0.000 1.331 236 D HN -0.040 8.273 8.370 -0.001 0.057 0.432 237 T N -1.297 113.250 114.554 -0.012 0.000 2.769 237 T HA 0.202 4.534 4.350 -0.031 0.000 0.306 237 T C -1.638 173.066 174.700 0.006 0.000 1.400 237 T CA -0.501 61.571 62.100 -0.047 0.000 1.007 237 T CB 1.178 69.953 68.868 -0.155 0.000 1.392 237 T HN 0.032 8.282 8.240 0.017 0.000 0.500 238 S N 0.659 116.364 115.700 0.009 0.000 2.706 238 S HA 0.212 4.814 4.470 0.219 0.000 0.270 238 S C -1.117 173.543 174.600 0.099 0.000 1.163 238 S CA 0.680 58.942 58.200 0.104 0.000 1.042 238 S CB 0.655 63.899 63.200 0.074 0.000 1.079 238 S HN 0.232 8.524 8.310 -0.031 0.000 0.474 239 K N 8.110 128.644 120.400 0.224 0.000 2.860 239 K HA 0.250 4.629 4.320 0.098 0.000 0.204 239 K C -0.309 176.406 176.600 0.192 0.000 1.127 239 K CA -0.371 56.024 56.287 0.180 0.000 1.050 239 K CB 0.405 32.990 32.500 0.141 0.000 0.745 239 K HN 0.433 8.959 8.250 0.459 0.000 0.459 240 V N -1.873 118.123 119.914 0.137 0.000 0.588 240 V HA -0.540 3.598 4.120 0.030 0.000 0.092 240 V C -1.142 174.934 176.094 -0.030 0.000 1.830 240 V CA 3.060 65.388 62.300 0.048 0.000 3.401 240 V CB -1.115 30.730 31.823 0.035 0.000 0.689 240 V HN 0.365 8.642 8.190 0.145 0.000 0.712 241 N N 0.401 119.088 118.700 -0.023 0.000 2.425 241 N HA 0.272 4.786 4.740 -0.377 0.000 0.289 241 N C -2.519 172.919 175.510 -0.121 0.000 1.074 241 N CA 0.103 53.045 53.050 -0.179 0.000 0.905 241 N CB 2.393 40.815 38.487 -0.110 0.000 1.586 241 N HN 0.060 8.421 8.380 0.062 0.056 0.490 242 Y N -1.747 118.451 120.300 -0.170 0.000 2.479 242 Y HA 0.869 5.402 4.550 -0.353 -0.196 0.338 242 Y C -1.632 174.032 175.900 -0.394 0.000 1.055 242 Y CA -2.429 55.504 58.100 -0.279 0.000 1.023 242 Y CB 2.243 40.603 38.460 -0.167 0.000 1.287 242 Y HN -0.047 7.698 8.280 -0.891 0.000 0.447 243 G N 0.435 108.845 108.800 -0.650 0.000 3.022 243 G HA2 0.379 4.208 3.960 -0.219 0.000 0.284 243 G HA3 0.379 3.807 3.960 -0.886 0.000 0.284 243 G C -3.317 171.379 174.900 -0.340 0.000 1.375 243 G CA -1.186 43.544 45.100 -0.615 0.000 0.902 243 G HN 0.319 8.064 8.290 -0.909 0.000 0.538 244 V N 0.405 120.405 119.914 0.144 0.000 2.709 244 V HA 0.988 5.453 4.120 0.219 -0.214 0.308 244 V C -1.399 174.894 176.094 0.332 0.000 1.062 244 V CA -3.135 59.311 62.300 0.242 0.000 0.901 244 V CB 2.982 34.878 31.823 0.122 0.000 1.003 244 V HN 0.155 8.470 8.190 0.208 0.000 0.425 245 T N 6.842 121.527 114.554 0.218 0.000 2.906 245 T HA 0.307 4.678 4.350 0.035 0.000 0.295 245 T C -1.716 172.986 174.700 0.002 0.000 1.075 245 T CA -2.019 60.108 62.100 0.046 0.000 1.005 245 T CB 2.555 71.356 68.868 -0.111 0.000 1.136 245 T HN 0.773 9.137 8.240 0.208 0.000 0.498 246 V N 1.573 121.470 119.914 -0.028 0.000 2.881 246 V HA -0.005 4.105 4.120 -0.016 0.000 0.303 246 V C -0.445 175.619 176.094 -0.050 0.000 1.070 246 V CA -0.531 61.752 62.300 -0.029 0.000 1.074 246 V CB 1.270 33.079 31.823 -0.023 0.000 1.012 246 V HN 0.143 8.308 8.190 -0.041 0.000 0.482 247 L N 6.189 127.389 121.223 -0.038 0.000 2.506 247 L HA 0.064 4.363 4.340 -0.068 0.000 0.281 247 L C -1.537 175.319 176.870 -0.024 0.000 1.228 247 L CA -0.931 53.888 54.840 -0.035 0.000 0.850 247 L CB -0.767 41.289 42.059 -0.005 0.000 1.110 247 L HN 0.030 8.242 8.230 -0.028 0.000 0.496 248 P HA 0.168 4.551 4.420 -0.062 0.000 0.277 248 P C -0.629 176.750 177.300 0.132 0.000 1.240 248 P CA -1.130 61.937 63.100 -0.055 0.000 0.798 248 P CB 1.044 32.577 31.700 -0.278 0.000 0.979 249 T N -0.667 113.949 114.554 0.104 0.000 2.640 249 T HA -0.133 4.419 4.350 0.159 -0.107 0.316 249 T C -1.177 173.708 174.700 0.307 0.000 1.036 249 T CA -0.292 61.904 62.100 0.160 0.000 1.009 249 T CB 0.861 69.775 68.868 0.077 0.000 1.017 249 T HN 0.057 8.317 8.240 0.032 0.000 0.530 250 F N 0.075 120.063 119.950 0.064 0.000 2.839 250 F HA 0.009 4.571 4.527 0.058 0.000 0.344 250 F C -0.957 174.811 175.800 -0.054 0.000 1.242 250 F CA 0.293 58.297 58.000 0.008 0.000 1.091 250 F CB 1.403 40.343 39.000 -0.100 0.000 1.374 250 F HN -0.206 8.192 8.300 0.217 0.032 0.553 251 K N 4.450 124.832 120.400 -0.030 0.000 3.130 251 K HA -0.413 3.869 4.320 -0.062 0.000 0.282 251 K C -1.191 175.441 176.600 0.053 0.000 1.145 251 K CA 1.270 57.573 56.287 0.027 0.000 0.831 251 K CB -0.948 31.649 32.500 0.162 0.000 1.226 251 K HN 0.652 8.726 8.250 -0.294 0.000 0.478 252 G N -6.180 102.650 108.800 0.050 0.000 3.465 252 G HA2 -0.179 3.800 3.960 0.031 0.000 0.196 252 G HA3 -0.179 3.812 3.960 0.051 0.000 0.196 252 G C -1.448 173.489 174.900 0.062 0.000 1.170 252 G CA -0.302 44.827 45.100 0.048 0.000 0.887 252 G HN 0.236 8.504 8.290 0.043 0.047 0.444 253 Q N 0.049 119.899 119.800 0.084 0.000 2.435 253 Q HA 0.430 4.815 4.340 0.075 0.000 0.282 253 Q C -2.850 173.207 176.000 0.095 0.000 1.020 253 Q CA -3.165 52.686 55.803 0.079 0.000 0.820 253 Q CB 3.109 31.887 28.738 0.067 0.000 1.436 253 Q HN -0.663 7.667 8.270 0.100 0.000 0.395 254 P HA 0.081 4.596 4.420 0.157 0.000 0.286 254 P C -0.556 176.743 177.300 -0.002 0.000 1.293 254 P CA -0.748 62.404 63.100 0.087 0.000 0.770 254 P CB 0.755 32.504 31.700 0.082 0.000 1.206 255 S N -2.041 113.630 115.700 -0.048 0.000 2.680 255 S HA -0.177 4.322 4.470 -0.168 -0.129 0.249 255 S C 0.029 174.601 174.600 -0.047 0.000 1.358 255 S CA 0.653 58.790 58.200 -0.106 0.000 0.963 255 S CB 0.699 63.815 63.200 -0.140 0.000 0.984 255 S HN 0.086 8.383 8.310 -0.022 0.000 0.584 256 K N 1.405 121.799 120.400 -0.010 0.000 2.499 256 K HA 0.475 4.815 4.320 0.033 0.000 0.215 256 K C -1.794 174.920 176.600 0.189 0.000 1.041 256 K CA -3.025 53.303 56.287 0.068 0.000 1.031 256 K CB 0.554 33.089 32.500 0.058 0.000 1.479 256 K HN -0.080 8.161 8.250 -0.015 0.000 0.518 257 P HA 0.124 4.535 4.420 -0.015 0.000 0.307 257 P C -1.912 175.520 177.300 0.221 0.000 1.306 257 P CA -0.628 62.502 63.100 0.050 0.000 0.742 257 P CB 0.948 32.615 31.700 -0.054 0.000 1.349 258 F N -7.809 112.207 119.950 0.110 0.000 2.799 258 F HA 0.243 4.757 4.527 0.120 0.085 0.316 258 F C -2.065 173.805 175.800 0.117 0.000 1.155 258 F CA -1.257 56.816 58.000 0.122 0.000 0.916 258 F CB 2.200 41.284 39.000 0.140 0.000 1.294 258 F HN -0.495 7.537 8.300 -0.448 0.000 0.447 259 V N -3.413 116.717 119.914 0.361 0.000 2.775 259 V HA 0.162 4.349 4.120 0.112 0.000 0.299 259 V C 0.019 176.307 176.094 0.323 0.000 1.062 259 V CA -0.593 61.846 62.300 0.232 0.000 1.063 259 V CB 0.351 32.287 31.823 0.188 0.000 0.994 259 V HN 0.297 8.622 8.190 0.408 0.110 0.483 260 G N 5.546 114.442 108.800 0.159 0.000 4.190 260 G HA2 0.331 4.474 3.960 0.305 0.000 0.328 260 G HA3 0.331 4.505 3.960 0.098 -0.155 0.328 260 G C -1.360 173.578 174.900 0.063 0.000 1.364 260 G CA -0.878 44.319 45.100 0.162 0.000 1.259 260 G HN -0.052 8.281 8.290 0.072 0.000 0.525 261 V N 2.258 122.197 119.914 0.041 0.000 2.481 261 V HA 0.723 5.080 4.120 -0.067 -0.278 0.286 261 V C -0.813 175.264 176.094 -0.028 0.000 1.042 261 V CA -2.594 59.658 62.300 -0.080 0.000 0.928 261 V CB 1.523 33.191 31.823 -0.258 0.000 0.986 261 V HN -0.643 7.609 8.190 0.102 0.000 0.462 262 L N 2.779 124.023 121.223 0.036 0.000 2.281 262 L HA 0.370 4.981 4.340 0.258 -0.116 0.285 262 L C -0.611 176.346 176.870 0.146 0.000 1.074 262 L CA -0.524 54.432 54.840 0.194 0.000 0.817 262 L CB 0.597 42.849 42.059 0.322 0.000 1.168 262 L HN -0.390 7.834 8.230 -0.009 0.000 0.434 263 S N 4.959 120.782 115.700 0.205 0.000 2.411 263 S HA 0.427 5.120 4.470 0.131 -0.145 0.294 263 S C -1.053 173.525 174.600 -0.037 0.000 1.115 263 S CA -1.095 57.197 58.200 0.154 0.000 1.071 263 S CB 0.467 63.857 63.200 0.316 0.000 0.967 263 S HN 0.715 9.000 8.310 0.281 0.193 0.488 264 A N 6.757 129.543 122.820 -0.056 0.000 2.414 264 A HA 0.917 5.132 4.320 -0.451 -0.165 0.306 264 A C -1.647 175.833 177.584 -0.173 0.000 1.054 264 A CA -1.804 50.125 52.037 -0.180 0.000 0.724 264 A CB 3.119 22.139 19.000 0.033 0.000 1.267 264 A HN 0.144 8.342 8.150 0.079 0.000 0.418 265 G N 0.458 109.109 108.800 -0.249 0.000 2.317 265 G HA2 -0.019 3.899 3.960 -0.069 0.000 0.293 265 G HA3 -0.019 3.892 3.960 -0.080 0.000 0.293 265 G C -2.802 172.123 174.900 0.042 0.000 1.287 265 G CA 0.224 45.269 45.100 -0.092 0.000 0.850 265 G HN -0.022 8.055 8.290 -0.356 0.000 0.515 266 I N -0.572 120.051 120.570 0.088 0.000 2.713 266 I HA 0.466 4.956 4.170 0.176 -0.214 0.300 266 I C -0.253 175.990 176.117 0.210 0.000 1.009 266 I CA -2.730 58.656 61.300 0.144 0.000 1.305 266 I CB 0.872 38.918 38.000 0.077 0.000 1.430 266 I HN 0.094 8.327 8.210 0.039 0.000 0.546 267 N N 3.384 122.190 118.700 0.177 0.000 2.462 267 N HA 0.100 5.025 4.740 0.216 -0.056 0.242 267 N C -0.348 175.192 175.510 0.049 0.000 1.010 267 N CA -0.078 53.048 53.050 0.127 0.000 0.939 267 N CB 0.894 39.371 38.487 -0.017 0.000 1.127 267 N HN 0.300 8.763 8.380 0.138 0.000 0.509 268 A N 2.741 125.603 122.820 0.070 0.000 2.979 268 A HA -0.389 3.962 4.320 0.053 0.000 0.260 268 A C -1.012 176.595 177.584 0.037 0.000 1.282 268 A CA 1.143 53.204 52.037 0.041 0.000 0.971 268 A CB -1.050 17.952 19.000 0.004 0.000 1.124 268 A HN 0.725 8.924 8.150 0.113 0.018 0.826 269 A N -5.322 117.527 122.820 0.049 0.000 2.771 269 A HA -0.354 3.990 4.320 0.039 0.000 0.294 269 A C -0.236 177.360 177.584 0.020 0.000 1.500 269 A CA 0.932 52.991 52.037 0.038 0.000 0.829 269 A CB -1.441 17.585 19.000 0.042 0.000 0.998 269 A HN 0.261 8.382 8.150 0.069 0.070 0.526 270 S N -0.614 115.091 115.700 0.009 0.000 2.344 270 S HA -0.090 4.379 4.470 -0.001 0.000 0.217 270 S C -0.934 173.662 174.600 -0.006 0.000 1.033 270 S CA 3.079 61.277 58.200 -0.003 0.000 1.017 270 S CB -0.384 62.806 63.200 -0.017 0.000 0.941 270 S HN -0.387 7.894 8.310 0.010 0.035 0.430 271 P HA 0.031 4.437 4.420 -0.022 0.000 0.271 271 P C -1.100 176.187 177.300 -0.022 0.000 1.380 271 P CA -0.141 62.947 63.100 -0.020 0.000 0.992 271 P CB -0.846 30.841 31.700 -0.023 0.000 1.230 272 N N 2.510 121.199 118.700 -0.018 0.000 2.482 272 N HA -0.344 4.391 4.740 -0.007 0.000 0.288 272 N C 0.494 176.007 175.510 0.003 0.000 1.319 272 N CA 0.794 53.835 53.050 -0.014 0.000 0.671 272 N CB -0.422 38.043 38.487 -0.037 0.000 0.911 272 N HN 0.080 8.450 8.380 -0.016 0.000 0.531 273 K N 0.585 120.994 120.400 0.014 0.000 2.155 273 K HA -0.235 4.101 4.320 0.027 0.000 0.203 273 K C 1.066 177.689 176.600 0.038 0.000 1.052 273 K CA 2.607 58.910 56.287 0.026 0.000 0.948 273 K CB 0.017 32.533 32.500 0.026 0.000 0.728 273 K HN 0.435 8.692 8.250 0.011 0.000 0.448 274 E N 0.966 121.189 120.200 0.039 0.000 2.021 274 E HA -0.209 4.175 4.350 0.057 0.000 0.189 274 E C 1.716 178.362 176.600 0.077 0.000 0.980 274 E CA 2.609 59.042 56.400 0.055 0.000 0.803 274 E CB -0.360 29.370 29.700 0.050 0.000 0.766 274 E HN 0.093 8.451 8.360 0.030 0.020 0.449 275 L N -2.117 119.148 121.223 0.070 0.000 2.131 275 L HA -0.204 4.227 4.340 0.152 0.000 0.210 275 L C 2.322 179.272 176.870 0.133 0.000 1.092 275 L CA 3.044 57.946 54.840 0.103 0.000 0.759 275 L CB -0.505 41.575 42.059 0.036 0.000 0.903 275 L HN 0.016 8.273 8.230 0.045 0.000 0.435 276 A N -0.797 122.066 122.820 0.072 0.000 1.851 276 A HA -0.400 3.956 4.320 0.059 0.000 0.216 276 A C 1.986 179.640 177.584 0.117 0.000 1.195 276 A CA 3.367 55.449 52.037 0.074 0.000 0.622 276 A CB -0.921 18.099 19.000 0.032 0.000 0.831 276 A HN -0.291 7.863 8.150 0.045 0.023 0.444 277 K N -1.782 118.667 120.400 0.082 0.000 2.057 277 K HA -0.351 3.972 4.320 0.005 0.000 0.206 277 K C 2.654 179.320 176.600 0.111 0.000 1.050 277 K CA 3.382 59.706 56.287 0.062 0.000 0.935 277 K CB -0.086 32.448 32.500 0.057 0.000 0.715 277 K HN -0.676 7.616 8.250 0.070 0.000 0.439 278 E N -0.028 120.259 120.200 0.146 0.000 2.077 278 E HA -0.324 4.105 4.350 0.131 0.000 0.193 278 E C 2.067 178.810 176.600 0.238 0.000 0.989 278 E CA 3.350 59.852 56.400 0.170 0.000 0.800 278 E CB -0.051 29.754 29.700 0.175 0.000 0.746 278 E HN -0.158 8.282 8.360 0.135 0.000 0.452 279 F N 0.373 120.417 119.950 0.157 0.000 2.234 279 F HA -0.263 4.502 4.527 0.396 0.000 0.299 279 F C 1.048 176.968 175.800 0.201 0.000 1.087 279 F CA 3.249 61.391 58.000 0.238 0.000 1.340 279 F CB 0.391 39.478 39.000 0.145 0.000 1.031 279 F HN 0.233 8.639 8.300 0.381 0.123 0.500 280 L N -2.260 119.095 121.223 0.221 0.000 2.270 280 L HA -0.230 4.162 4.340 0.086 0.000 0.210 280 L C 0.954 177.849 176.870 0.040 0.000 1.104 280 L CA 2.507 57.400 54.840 0.089 0.000 0.804 280 L CB 0.584 42.646 42.059 0.005 0.000 0.937 280 L HN -0.432 7.828 8.230 0.252 0.122 0.450 281 E N -2.280 117.958 120.200 0.063 0.000 2.216 281 E HA -0.060 4.346 4.350 0.093 0.000 0.192 281 E C 1.039 177.645 176.600 0.011 0.000 0.973 281 E CA 2.284 58.725 56.400 0.070 0.000 0.851 281 E CB 0.727 30.488 29.700 0.102 0.000 0.804 281 E HN -0.250 8.030 8.360 0.091 0.135 0.477 282 N N -2.240 116.452 118.700 -0.013 0.000 2.328 282 N HA 0.063 4.710 4.740 -0.155 0.000 0.247 282 N C -1.383 173.934 175.510 -0.322 0.000 1.165 282 N CA 0.638 53.609 53.050 -0.131 0.000 0.873 282 N CB 1.237 39.685 38.487 -0.065 0.000 1.125 282 N HN 0.309 8.600 8.380 0.042 0.115 0.513 283 Y N -3.069 117.074 120.300 -0.261 0.000 3.336 283 Y HA -0.035 4.331 4.550 -0.307 0.000 0.201 283 Y C -1.531 174.142 175.900 -0.378 0.000 0.731 283 Y CA 0.124 57.967 58.100 -0.428 0.000 1.118 283 Y CB -0.092 37.858 38.460 -0.850 0.000 1.219 283 Y HN -0.331 7.801 8.280 -0.114 0.079 0.621 284 L N -2.723 118.452 121.223 -0.080 0.000 1.276 284 L HA 0.071 4.391 4.340 -0.033 0.000 0.093 284 L C -1.136 175.716 176.870 -0.030 0.000 1.433 284 L CA 1.052 55.869 54.840 -0.039 0.000 1.166 284 L CB 1.515 43.570 42.059 -0.007 0.000 2.405 284 L HN -0.239 7.935 8.230 -0.095 0.000 0.460 285 L N 0.355 121.577 121.223 -0.002 0.000 2.701 285 L HA 0.303 4.629 4.340 -0.022 0.000 0.237 285 L C -1.285 175.589 176.870 0.006 0.000 1.204 285 L CA -1.095 53.754 54.840 0.014 0.000 1.109 285 L CB -2.027 40.093 42.059 0.101 0.000 1.409 285 L HN -0.537 7.696 8.230 0.006 0.000 0.428 286 T N -0.483 114.052 114.554 -0.033 0.000 2.762 286 T HA 0.235 4.620 4.350 0.059 0.000 0.301 286 T C -0.597 174.108 174.700 0.008 0.000 1.299 286 T CA -1.579 60.520 62.100 -0.001 0.000 1.005 286 T CB 2.581 71.415 68.868 -0.056 0.000 1.377 286 T HN -0.673 7.479 8.240 -0.063 0.050 0.504 287 D N 1.238 121.703 120.400 0.109 0.000 2.116 287 D HA -0.270 4.562 4.640 0.319 0.000 0.193 287 D C 1.520 177.841 176.300 0.034 0.000 0.998 287 D CA 3.174 57.276 54.000 0.170 0.000 0.836 287 D CB -0.080 40.812 40.800 0.153 0.000 0.951 287 D HN 0.303 8.741 8.370 0.113 0.000 0.449 288 E N -0.532 119.649 120.200 -0.031 0.000 2.112 288 E HA -0.131 4.197 4.350 -0.036 0.000 0.190 288 E C 1.949 178.506 176.600 -0.071 0.000 0.979 288 E CA 1.346 57.707 56.400 -0.064 0.000 0.814 288 E CB -0.236 29.392 29.700 -0.119 0.000 0.762 288 E HN -0.702 7.629 8.360 -0.047 0.000 0.460 289 G N -0.291 108.453 108.800 -0.094 0.000 2.666 289 G HA2 -0.239 3.693 3.960 -0.046 0.000 0.215 289 G HA3 -0.239 3.671 3.960 -0.083 0.000 0.215 289 G C 1.381 176.240 174.900 -0.068 0.000 1.294 289 G CA 1.666 46.721 45.100 -0.074 0.000 0.811 289 G HN -0.189 7.962 8.290 -0.107 0.075 0.594 290 L N -1.827 119.335 121.223 -0.101 0.000 2.261 290 L HA -0.316 3.955 4.340 -0.114 0.000 0.216 290 L C 2.083 178.889 176.870 -0.108 0.000 1.114 290 L CA 2.662 57.425 54.840 -0.129 0.000 0.777 290 L CB -1.055 40.879 42.059 -0.209 0.000 0.910 290 L HN -0.449 7.714 8.230 -0.111 0.000 0.440 291 E N -0.088 120.064 120.200 -0.081 0.000 2.233 291 E HA -0.416 4.026 4.350 -0.052 -0.123 0.199 291 E C 1.183 177.756 176.600 -0.046 0.000 1.004 291 E CA 3.012 59.382 56.400 -0.051 0.000 0.819 291 E CB -0.628 29.056 29.700 -0.026 0.000 0.738 291 E HN -0.287 7.889 8.360 -0.077 0.137 0.478 292 A N -2.828 119.965 122.820 -0.045 0.000 1.855 292 A HA -0.175 4.126 4.320 -0.031 0.000 0.213 292 A C 1.019 178.566 177.584 -0.063 0.000 1.195 292 A CA 2.929 54.942 52.037 -0.040 0.000 0.610 292 A CB 0.086 19.074 19.000 -0.021 0.000 0.837 292 A HN -0.474 7.612 8.150 -0.047 0.035 0.444 293 V N -1.217 118.648 119.914 -0.082 0.000 2.323 293 V HA -0.404 3.649 4.120 -0.112 0.000 0.244 293 V C 1.506 177.537 176.094 -0.106 0.000 1.041 293 V CA 3.231 65.466 62.300 -0.108 0.000 1.025 293 V CB 0.117 31.861 31.823 -0.132 0.000 0.656 293 V HN -0.196 7.947 8.190 -0.079 0.000 0.451 294 N N -1.621 117.016 118.700 -0.105 0.000 2.348 294 N HA -0.286 4.391 4.740 -0.104 0.000 0.185 294 N C 0.705 176.174 175.510 -0.068 0.000 1.019 294 N CA 2.610 55.601 53.050 -0.097 0.000 0.880 294 N CB -0.764 37.656 38.487 -0.112 0.000 0.965 294 N HN 0.488 8.691 8.380 -0.109 0.112 0.437 295 K N -1.698 118.666 120.400 -0.061 0.000 2.266 295 K HA 0.028 4.326 4.320 -0.037 0.000 0.209 295 K C 1.343 177.914 176.600 -0.049 0.000 1.065 295 K CA 1.196 57.456 56.287 -0.044 0.000 0.946 295 K CB 0.677 33.158 32.500 -0.032 0.000 1.069 295 K HN -0.699 7.358 8.250 -0.066 0.153 0.472 296 D N -0.660 119.705 120.400 -0.059 0.000 2.088 296 D HA -0.244 4.362 4.640 -0.056 0.000 0.191 296 D C 0.036 176.284 176.300 -0.087 0.000 0.992 296 D CA 2.628 56.587 54.000 -0.069 0.000 0.831 296 D CB 0.725 41.478 40.800 -0.078 0.000 0.973 296 D HN 0.210 8.432 8.370 -0.059 0.112 0.447 297 K N -1.849 118.486 120.400 -0.107 0.000 2.592 297 K HA 0.328 4.587 4.320 -0.101 0.000 0.212 297 K C -2.602 173.933 176.600 -0.109 0.000 1.013 297 K CA -3.647 52.569 56.287 -0.118 0.000 1.034 297 K CB 0.187 32.589 32.500 -0.163 0.000 1.292 297 K HN -0.568 7.617 8.250 -0.109 0.000 0.521 298 P HA 0.130 4.494 4.420 -0.093 0.000 0.274 298 P C -0.814 176.439 177.300 -0.078 0.000 1.246 298 P CA -0.348 62.707 63.100 -0.076 0.000 0.795 298 P CB 0.953 32.627 31.700 -0.044 0.000 1.006 299 L N -8.902 112.263 121.223 -0.097 0.000 1.728 299 L HA 0.327 4.629 4.340 -0.062 0.000 0.193 299 L C -0.630 176.125 176.870 -0.193 0.000 1.247 299 L CA 0.557 55.319 54.840 -0.130 0.000 1.304 299 L CB 0.518 42.469 42.059 -0.180 0.000 2.616 299 L HN 0.206 8.376 8.230 -0.100 0.000 0.504 300 G N -1.700 106.993 108.800 -0.178 0.000 2.634 300 G HA2 0.166 4.037 3.960 -0.148 0.000 0.309 300 G HA3 0.166 3.996 3.960 -0.217 0.000 0.309 300 G C -2.142 172.674 174.900 -0.140 0.000 1.299 300 G CA -0.033 44.962 45.100 -0.174 0.000 0.798 300 G HN -0.693 7.498 8.290 -0.164 0.000 0.490 301 A N -1.867 120.875 122.820 -0.131 0.000 2.527 301 A HA 0.585 4.816 4.320 -0.149 0.000 0.293 301 A C -1.871 175.635 177.584 -0.130 0.000 1.117 301 A CA -0.903 51.058 52.037 -0.127 0.000 0.723 301 A CB 2.728 21.673 19.000 -0.091 0.000 1.313 301 A HN -0.032 8.040 8.150 -0.131 0.000 0.411 302 V N -4.709 115.120 119.914 -0.142 0.000 3.641 302 V HA 0.138 4.184 4.120 -0.124 0.000 0.286 302 V C -0.802 175.234 176.094 -0.097 0.000 1.027 302 V CA -1.029 61.196 62.300 -0.125 0.000 1.032 302 V CB 0.783 32.528 31.823 -0.131 0.000 1.238 302 V HN 0.050 8.135 8.190 -0.175 0.000 0.439 303 A N 0.094 122.853 122.820 -0.100 0.000 2.842 303 A HA 0.177 4.445 4.320 -0.086 0.000 0.298 303 A C -0.794 176.766 177.584 -0.039 0.000 1.293 303 A CA -0.826 51.154 52.037 -0.095 0.000 0.959 303 A CB -0.340 18.570 19.000 -0.149 0.000 1.119 303 A HN 0.260 8.341 8.150 -0.115 0.000 0.564 304 L N 0.538 121.772 121.223 0.018 0.000 2.360 304 L HA -0.025 4.367 4.340 0.087 0.000 0.276 304 L C 0.909 177.867 176.870 0.146 0.000 1.121 304 L CA 0.040 54.941 54.840 0.102 0.000 0.845 304 L CB 0.121 42.286 42.059 0.177 0.000 1.143 304 L HN -0.341 7.810 8.230 0.001 0.080 0.452 305 K N 4.391 124.909 120.400 0.196 0.000 2.063 305 K HA -0.331 4.183 4.320 0.323 0.000 0.208 305 K C 1.385 178.079 176.600 0.157 0.000 1.048 305 K CA 2.904 59.352 56.287 0.269 0.000 0.928 305 K CB -0.659 32.013 32.500 0.287 0.000 0.713 305 K HN 0.553 8.915 8.250 0.187 0.000 0.442 306 S N 0.313 116.079 115.700 0.109 0.000 2.345 306 S HA -0.276 4.207 4.470 0.021 0.000 0.220 306 S C 2.375 176.981 174.600 0.010 0.000 1.031 306 S CA 2.506 60.726 58.200 0.033 0.000 0.996 306 S CB -0.501 62.692 63.200 -0.012 0.000 0.882 306 S HN -0.220 8.162 8.310 0.120 0.000 0.445 307 Y N 2.897 123.209 120.300 0.019 0.000 2.352 307 Y HA -0.257 4.294 4.550 0.002 0.000 0.292 307 Y C 1.720 177.620 175.900 0.001 0.000 1.136 307 Y CA 2.613 60.716 58.100 0.004 0.000 1.227 307 Y CB -0.334 38.123 38.460 -0.005 0.000 0.991 307 Y HN -0.157 8.263 8.280 0.234 0.000 0.545 308 E N -1.202 119.092 120.200 0.157 0.000 2.209 308 E HA -0.458 3.935 4.350 0.071 0.000 0.196 308 E C 2.135 178.769 176.600 0.057 0.000 0.993 308 E CA 3.740 60.189 56.400 0.082 0.000 0.819 308 E CB -0.814 28.916 29.700 0.051 0.000 0.745 308 E HN 0.451 8.692 8.360 0.163 0.217 0.477 309 E N -1.170 119.059 120.200 0.049 0.000 2.058 309 E HA -0.249 4.115 4.350 0.023 0.000 0.194 309 E C 1.770 178.384 176.600 0.023 0.000 0.997 309 E CA 2.643 59.057 56.400 0.024 0.000 0.801 309 E CB -0.012 29.689 29.700 0.001 0.000 0.746 309 E HN -0.624 7.628 8.360 0.055 0.140 0.450 310 E N -1.709 118.513 120.200 0.036 0.000 2.216 310 E HA -0.093 4.273 4.350 0.026 0.000 0.192 310 E C 2.534 179.176 176.600 0.069 0.000 0.973 310 E CA 1.223 57.650 56.400 0.045 0.000 0.851 310 E CB 0.670 30.396 29.700 0.043 0.000 0.804 310 E HN -0.607 7.777 8.360 0.041 0.000 0.477 311 L N 0.486 121.769 121.223 0.100 0.000 2.187 311 L HA -0.230 4.153 4.340 0.073 0.000 0.213 311 L C 1.959 178.851 176.870 0.037 0.000 1.100 311 L CA 2.743 57.627 54.840 0.073 0.000 0.765 311 L CB -0.527 41.576 42.059 0.072 0.000 0.904 311 L HN 0.719 8.915 8.230 0.128 0.112 0.437 312 A N -1.680 121.157 122.820 0.030 0.000 2.032 312 A HA -0.322 4.003 4.320 0.007 0.000 0.221 312 A C 0.946 178.541 177.584 0.018 0.000 1.165 312 A CA 2.652 54.698 52.037 0.015 0.000 0.645 312 A CB -0.759 18.246 19.000 0.008 0.000 0.807 312 A HN -0.452 7.689 8.150 0.037 0.030 0.453 313 K N -2.791 117.623 120.400 0.024 0.000 2.152 313 K HA -0.216 4.113 4.320 0.015 0.000 0.206 313 K C 0.209 176.829 176.600 0.034 0.000 1.048 313 K CA 1.446 57.748 56.287 0.024 0.000 0.933 313 K CB -0.052 32.464 32.500 0.026 0.000 0.721 313 K HN -0.649 7.466 8.250 0.029 0.152 0.447 314 D N -0.647 119.775 120.400 0.037 0.000 2.255 314 D HA 0.284 4.961 4.640 0.061 0.000 0.249 314 D C -0.850 175.480 176.300 0.050 0.000 1.078 314 D CA -1.686 52.342 54.000 0.047 0.000 0.896 314 D CB 0.821 41.642 40.800 0.034 0.000 1.194 314 D HN -0.423 7.824 8.370 0.032 0.142 0.429 315 P HA -0.041 4.418 4.420 0.066 0.000 0.231 315 P C 0.928 178.278 177.300 0.083 0.000 1.168 315 P CA 1.152 64.301 63.100 0.082 0.000 0.779 315 P CB 0.843 32.611 31.700 0.115 0.000 0.844 316 R N -2.759 117.790 120.500 0.082 0.000 2.094 316 R HA -0.368 4.059 4.340 0.144 0.000 0.239 316 R C 1.567 177.886 176.300 0.032 0.000 1.137 316 R CA 3.177 59.323 56.100 0.075 0.000 0.943 316 R CB -1.801 28.515 30.300 0.026 0.000 0.850 316 R HN 0.298 8.572 8.270 0.076 0.041 0.433 317 I N -5.552 115.021 120.570 0.004 0.000 2.716 317 I HA 0.237 4.389 4.170 -0.030 0.000 0.259 317 I C 1.471 177.583 176.117 -0.007 0.000 1.172 317 I CA 0.884 62.173 61.300 -0.018 0.000 1.478 317 I CB -1.170 36.809 38.000 -0.034 0.000 1.104 317 I HN -0.533 7.681 8.210 0.006 0.000 0.439 318 A N 1.373 124.200 122.820 0.011 0.000 1.972 318 A HA -0.278 4.039 4.320 -0.005 0.000 0.219 318 A C 1.710 179.308 177.584 0.023 0.000 1.169 318 A CA 2.695 54.740 52.037 0.013 0.000 0.635 318 A CB -0.858 18.159 19.000 0.028 0.000 0.810 318 A HN -0.382 7.707 8.150 0.021 0.074 0.446 319 A N -2.466 120.380 122.820 0.044 0.000 1.930 319 A HA -0.277 4.075 4.320 0.053 0.000 0.215 319 A C 1.462 179.067 177.584 0.035 0.000 1.176 319 A CA 2.839 54.908 52.037 0.055 0.000 0.632 319 A CB -0.216 18.840 19.000 0.092 0.000 0.819 319 A HN -0.045 8.114 8.150 0.052 0.023 0.445 320 T N -1.581 112.987 114.554 0.024 0.000 2.812 320 T HA -0.322 4.038 4.350 0.018 0.000 0.264 320 T C 1.879 176.572 174.700 -0.013 0.000 1.042 320 T CA 3.645 65.749 62.100 0.007 0.000 1.140 320 T CB 0.319 69.182 68.868 -0.009 0.000 0.870 320 T HN -0.820 7.358 8.240 0.026 0.078 0.445 321 M N -0.747 118.833 119.600 -0.032 0.000 2.267 321 M HA -0.325 4.107 4.480 -0.079 0.000 0.263 321 M C 1.871 178.136 176.300 -0.059 0.000 1.063 321 M CA 3.625 58.886 55.300 -0.065 0.000 1.090 321 M CB -0.638 31.912 32.600 -0.083 0.000 1.392 321 M HN 0.488 8.654 8.290 -0.027 0.109 0.422 322 E N 0.479 120.661 120.200 -0.031 0.000 2.023 322 E HA -0.373 3.955 4.350 -0.036 0.000 0.196 322 E C 2.401 178.988 176.600 -0.022 0.000 1.003 322 E CA 3.476 59.861 56.400 -0.025 0.000 0.809 322 E CB -0.623 29.075 29.700 -0.004 0.000 0.755 322 E HN -0.300 7.924 8.360 -0.016 0.126 0.449 323 N N -1.817 116.880 118.700 -0.006 0.000 2.300 323 N HA -0.167 4.580 4.740 0.011 0.000 0.179 323 N C 1.673 177.196 175.510 0.021 0.000 1.016 323 N CA 2.110 55.167 53.050 0.011 0.000 0.876 323 N CB -0.284 38.214 38.487 0.019 0.000 0.979 323 N HN -0.580 7.799 8.380 -0.001 0.000 0.432 324 A N -0.088 122.735 122.820 0.006 0.000 2.066 324 A HA -0.102 4.261 4.320 0.071 0.000 0.218 324 A C 2.170 179.719 177.584 -0.058 0.000 1.157 324 A CA 2.378 54.424 52.037 0.014 0.000 0.670 324 A CB -0.694 18.307 19.000 0.002 0.000 0.804 324 A HN 0.266 8.413 8.150 -0.005 0.000 0.453 325 Q N -1.858 117.874 119.800 -0.114 0.000 2.045 325 Q HA -0.279 3.854 4.340 -0.344 0.000 0.206 325 Q C 1.815 177.677 176.000 -0.229 0.000 0.991 325 Q CA 2.695 58.364 55.803 -0.223 0.000 0.851 325 Q CB -0.128 28.516 28.738 -0.157 0.000 0.911 325 Q HN 0.031 8.032 8.270 -0.079 0.222 0.418 326 K N -3.929 116.433 120.400 -0.063 0.000 2.067 326 K HA 0.009 4.334 4.320 0.009 0.000 0.203 326 K C 0.319 177.012 176.600 0.155 0.000 1.048 326 K CA 0.146 56.451 56.287 0.030 0.000 0.954 326 K CB 1.181 33.711 32.500 0.051 0.000 0.737 326 K HN -0.203 8.025 8.250 -0.037 0.000 0.444 327 G N 0.002 108.896 108.800 0.157 0.000 2.308 327 G HA2 -0.071 4.068 3.960 0.297 0.000 0.288 327 G HA3 -0.071 4.040 3.960 0.251 0.000 0.288 327 G C -2.502 172.515 174.900 0.194 0.000 1.722 327 G CA 0.795 46.033 45.100 0.231 0.000 0.924 327 G HN -0.613 7.738 8.290 0.100 0.000 0.732 328 E N 0.777 121.105 120.200 0.214 0.000 2.656 328 E HA 0.156 4.644 4.350 0.230 0.000 0.395 328 E C -2.073 174.689 176.600 0.271 0.000 1.028 328 E CA 0.664 57.199 56.400 0.224 0.000 0.728 328 E CB 1.633 31.437 29.700 0.174 0.000 1.577 328 E HN 0.023 8.523 8.360 0.233 0.000 0.384 329 I N 2.544 123.278 120.570 0.274 0.000 2.468 329 I HA 0.235 4.592 4.170 0.313 0.000 0.285 329 I C -1.788 174.446 176.117 0.194 0.000 1.039 329 I CA -0.896 60.559 61.300 0.258 0.000 1.074 329 I CB 2.758 40.878 38.000 0.200 0.000 1.228 329 I HN 0.210 8.576 8.210 0.259 0.000 0.436 330 M N 10.280 129.951 119.600 0.117 0.000 2.303 330 M HA 0.128 4.514 4.480 -0.156 0.000 0.350 330 M C -1.680 174.575 176.300 -0.075 0.000 1.518 330 M CA -0.414 54.780 55.300 -0.177 0.000 1.070 330 M CB -0.254 31.929 32.600 -0.696 0.000 1.910 330 M HN 0.416 8.838 8.290 0.219 0.000 0.458 331 P HA 0.206 4.617 4.420 -0.016 0.000 0.302 331 P C -1.099 176.166 177.300 -0.058 0.000 1.301 331 P CA -0.563 62.510 63.100 -0.044 0.000 0.745 331 P CB 0.562 32.212 31.700 -0.083 0.000 1.331 332 N N -0.988 117.671 118.700 -0.069 0.000 2.418 332 N HA -0.186 4.689 4.740 -0.052 -0.166 0.199 332 N C 0.038 175.515 175.510 -0.055 0.000 1.044 332 N CA 0.236 53.248 53.050 -0.063 0.000 0.943 332 N CB 0.719 39.161 38.487 -0.074 0.000 1.154 332 N HN -0.007 8.309 8.380 -0.107 0.000 0.467 333 I N 2.076 122.604 120.570 -0.070 0.000 3.588 333 I HA -0.164 3.977 4.170 -0.049 0.000 0.126 333 I C -1.131 174.972 176.117 -0.023 0.000 0.989 333 I CA -0.453 60.826 61.300 -0.036 0.000 2.745 333 I CB 0.222 38.241 38.000 0.031 0.000 1.196 333 I HN -0.063 8.081 8.210 -0.110 0.000 0.343 334 P HA -0.151 4.261 4.420 -0.014 0.000 0.221 334 P C 1.078 178.388 177.300 0.016 0.000 1.150 334 P CA 1.558 64.647 63.100 -0.019 0.000 0.800 334 P CB 0.168 31.841 31.700 -0.045 0.000 0.787 335 Q N -2.272 117.523 119.800 -0.008 0.000 2.234 335 Q HA -0.234 4.138 4.340 0.053 0.000 0.206 335 Q C 1.919 177.923 176.000 0.007 0.000 0.980 335 Q CA 3.159 58.956 55.803 -0.011 0.000 0.869 335 Q CB -0.880 27.794 28.738 -0.107 0.000 0.912 335 Q HN 0.602 8.824 8.270 -0.025 0.033 0.436 336 M N -1.604 117.996 119.600 -0.001 0.000 2.267 336 M HA -0.325 4.181 4.480 0.044 0.000 0.263 336 M C 1.819 178.333 176.300 0.357 0.000 1.063 336 M CA 2.838 58.211 55.300 0.121 0.000 1.090 336 M CB -1.069 31.593 32.600 0.103 0.000 1.392 336 M HN -0.571 7.672 8.290 -0.015 0.037 0.422 337 S N 1.121 116.980 115.700 0.265 0.000 2.359 337 S HA -0.382 4.255 4.470 0.279 0.000 0.224 337 S C 1.458 176.284 174.600 0.378 0.000 1.035 337 S CA 3.928 62.291 58.200 0.270 0.000 1.018 337 S CB -0.267 63.012 63.200 0.132 0.000 0.876 337 S HN -0.096 8.165 8.310 0.165 0.147 0.448 338 A N -0.057 122.967 122.820 0.340 0.000 1.968 338 A HA -0.071 4.420 4.320 0.287 0.000 0.217 338 A C 2.318 180.190 177.584 0.480 0.000 1.169 338 A CA 2.291 54.536 52.037 0.346 0.000 0.638 338 A CB -0.437 18.713 19.000 0.249 0.000 0.812 338 A HN -0.654 7.663 8.150 0.278 0.000 0.446 339 F N -1.150 118.948 119.950 0.248 0.000 2.269 339 F HA -0.262 4.372 4.527 0.179 0.000 0.301 339 F C 0.879 176.831 175.800 0.252 0.000 1.082 339 F CA 2.319 60.454 58.000 0.224 0.000 1.360 339 F CB -0.391 38.738 39.000 0.216 0.000 1.041 339 F HN -0.508 8.129 8.300 0.697 0.081 0.512 340 W N -1.399 120.079 121.300 0.298 0.000 2.350 340 W HA -0.473 4.240 4.660 0.088 0.000 0.289 340 W C 2.168 178.729 176.519 0.069 0.000 1.215 340 W CA 4.719 62.143 57.345 0.131 0.000 1.236 340 W CB -0.247 29.252 29.460 0.065 0.000 1.130 340 W HN -0.238 8.225 8.180 0.696 0.134 0.541 341 Y N -3.231 117.235 120.300 0.277 0.000 2.337 341 Y HA -0.386 4.270 4.550 0.175 0.000 0.293 341 Y C 1.685 177.628 175.900 0.071 0.000 1.123 341 Y CA 3.635 61.829 58.100 0.157 0.000 1.201 341 Y CB -0.804 37.726 38.460 0.117 0.000 1.011 341 Y HN -0.476 8.078 8.280 0.672 0.129 0.545 342 A N -0.233 122.687 122.820 0.168 0.000 1.898 342 A HA -0.176 4.160 4.320 0.027 0.000 0.214 342 A C 1.975 179.566 177.584 0.011 0.000 1.183 342 A CA 2.762 54.806 52.037 0.011 0.000 0.622 342 A CB -0.903 17.982 19.000 -0.192 0.000 0.824 342 A HN -0.692 7.478 8.150 0.212 0.108 0.444 343 V N -1.602 118.339 119.914 0.045 0.000 2.469 343 V HA -0.364 3.820 4.120 0.106 0.000 0.251 343 V C 2.095 178.196 176.094 0.012 0.000 1.064 343 V CA 3.716 66.050 62.300 0.057 0.000 1.066 343 V CB -1.036 30.805 31.823 0.029 0.000 0.667 343 V HN 0.564 8.693 8.190 0.076 0.107 0.461 344 R N -0.837 119.667 120.500 0.007 0.000 2.056 344 R HA -0.179 4.158 4.340 -0.006 0.000 0.227 344 R C 2.387 178.698 176.300 0.018 0.000 1.149 344 R CA 3.172 59.275 56.100 0.006 0.000 0.937 344 R CB -0.600 29.701 30.300 0.001 0.000 0.835 344 R HN -0.695 7.563 8.270 0.025 0.027 0.430 345 T N 1.277 115.850 114.554 0.032 0.000 2.849 345 T HA -0.240 4.329 4.350 0.028 -0.202 0.270 345 T C 1.307 176.017 174.700 0.016 0.000 1.066 345 T CA 4.307 66.425 62.100 0.029 0.000 1.130 345 T CB -0.092 68.801 68.868 0.041 0.000 0.864 345 T HN -0.650 7.618 8.240 0.046 0.000 0.481 346 A N 0.347 123.174 122.820 0.012 0.000 1.855 346 A HA -0.213 4.107 4.320 0.000 0.000 0.213 346 A C 1.771 179.362 177.584 0.013 0.000 1.195 346 A CA 2.809 54.851 52.037 0.008 0.000 0.610 346 A CB -0.174 18.832 19.000 0.010 0.000 0.837 346 A HN -0.140 7.988 8.150 0.016 0.032 0.444 347 V N -0.909 119.015 119.914 0.016 0.000 2.302 347 V HA -0.481 3.645 4.120 0.010 0.000 0.243 347 V C 1.844 177.945 176.094 0.011 0.000 1.036 347 V CA 4.155 66.462 62.300 0.012 0.000 1.020 347 V CB 0.070 31.898 31.823 0.008 0.000 0.657 347 V HN -0.425 7.776 8.190 0.018 0.000 0.453 348 I N -0.123 120.454 120.570 0.012 0.000 2.087 348 I HA -0.662 3.517 4.170 0.015 0.000 0.240 348 I C 1.753 177.878 176.117 0.013 0.000 1.054 348 I CA 4.172 65.480 61.300 0.014 0.000 1.311 348 I CB -0.620 37.389 38.000 0.016 0.000 1.024 348 I HN 0.451 8.574 8.210 0.012 0.094 0.402 349 N N -1.274 117.434 118.700 0.013 0.000 2.043 349 N HA -0.300 4.447 4.740 0.012 0.000 0.193 349 N C 2.313 177.828 175.510 0.008 0.000 1.037 349 N CA 3.097 56.153 53.050 0.011 0.000 0.851 349 N CB -1.003 37.490 38.487 0.011 0.000 1.027 349 N HN -0.617 7.772 8.380 0.014 0.000 0.422 350 A N 0.047 122.871 122.820 0.007 0.000 2.024 350 A HA -0.209 4.163 4.320 0.003 -0.050 0.220 350 A C 1.716 179.304 177.584 0.005 0.000 1.164 350 A CA 2.595 54.635 52.037 0.005 0.000 0.643 350 A CB -0.843 18.159 19.000 0.004 0.000 0.806 350 A HN -0.544 7.610 8.150 0.008 0.000 0.451 351 A N -3.115 119.710 122.820 0.008 0.000 2.169 351 A HA -0.133 4.192 4.320 0.009 0.000 0.212 351 A C 0.930 178.520 177.584 0.010 0.000 1.153 351 A CA 1.181 53.224 52.037 0.010 0.000 0.756 351 A CB -0.291 18.716 19.000 0.012 0.000 0.813 351 A HN 0.089 8.103 8.150 0.009 0.141 0.471 352 S N -1.416 114.290 115.700 0.009 0.000 2.402 352 S HA -0.226 4.250 4.470 0.010 0.000 0.229 352 S C 1.023 175.627 174.600 0.008 0.000 1.021 352 S CA 2.122 60.327 58.200 0.009 0.000 0.974 352 S CB 0.728 63.934 63.200 0.009 0.000 0.800 352 S HN -0.101 8.008 8.310 0.009 0.206 0.484 353 G N 0.414 109.217 108.800 0.006 0.000 2.307 353 G HA2 -0.184 3.778 3.960 0.003 0.000 0.210 353 G HA3 -0.184 3.779 3.960 0.006 0.000 0.210 353 G C 0.282 175.183 174.900 0.002 0.000 1.005 353 G CA -0.209 44.894 45.100 0.004 0.000 0.634 353 G HN -0.683 7.588 8.290 0.005 0.023 0.496 354 R N 0.651 121.153 120.500 0.003 0.000 2.791 354 R HA 0.299 4.639 4.340 0.001 0.000 0.357 354 R C -1.161 175.140 176.300 0.002 0.000 1.173 354 R CA -0.989 55.113 56.100 0.002 0.000 1.060 354 R CB -0.332 29.969 30.300 0.003 0.000 1.406 354 R HN -0.364 7.836 8.270 0.004 0.072 0.580 355 Q N -2.628 117.173 119.800 0.001 0.000 2.377 355 Q HA 0.202 4.542 4.340 -0.000 0.000 0.279 355 Q C -1.956 174.043 176.000 -0.002 0.000 1.049 355 Q CA -0.410 55.393 55.803 0.000 0.000 0.825 355 Q CB 3.608 32.348 28.738 0.002 0.000 1.401 355 Q HN -0.474 7.722 8.270 0.001 0.074 0.404 356 T N 0.738 115.290 114.554 -0.003 0.000 2.887 356 T HA 0.266 4.613 4.350 -0.005 0.000 0.288 356 T C 0.851 175.548 174.700 -0.005 0.000 1.021 356 T CA -1.814 60.283 62.100 -0.005 0.000 1.000 356 T CB 1.602 70.466 68.868 -0.006 0.000 1.034 356 T HN 0.079 8.317 8.240 -0.003 0.000 0.467 357 V N 6.957 126.869 119.914 -0.004 0.000 2.594 357 V HA -0.307 3.811 4.120 -0.003 0.000 0.253 357 V C 0.501 176.590 176.094 -0.009 0.000 1.069 357 V CA 2.227 64.525 62.300 -0.004 0.000 1.082 357 V CB 0.481 32.305 31.823 0.002 0.000 0.680 357 V HN 0.714 8.901 8.190 -0.004 0.000 0.469 358 D N -1.205 119.190 120.400 -0.008 0.000 2.182 358 D HA -0.342 4.292 4.640 -0.010 0.000 0.201 358 D C 2.442 178.734 176.300 -0.013 0.000 0.986 358 D CA 3.725 57.719 54.000 -0.010 0.000 0.847 358 D CB -0.213 40.583 40.800 -0.007 0.000 0.942 358 D HN -0.487 7.850 8.370 -0.006 0.030 0.467 359 E N 0.161 120.353 120.200 -0.013 0.000 2.042 359 E HA -0.159 4.183 4.350 -0.014 0.000 0.189 359 E C 1.783 178.370 176.600 -0.022 0.000 0.974 359 E CA 2.832 59.223 56.400 -0.014 0.000 0.806 359 E CB -0.037 29.657 29.700 -0.010 0.000 0.769 359 E HN -0.488 7.728 8.360 -0.010 0.137 0.451 360 A N -0.206 122.600 122.820 -0.022 0.000 1.972 360 A HA -0.170 4.128 4.320 -0.035 0.000 0.219 360 A C 2.296 179.847 177.584 -0.056 0.000 1.169 360 A CA 2.886 54.902 52.037 -0.034 0.000 0.635 360 A CB -0.496 18.489 19.000 -0.024 0.000 0.810 360 A HN -0.581 7.559 8.150 -0.016 0.000 0.446 361 L N -2.489 118.706 121.223 -0.046 0.000 2.071 361 L HA -0.067 4.219 4.340 -0.090 0.000 0.201 361 L C 1.778 178.615 176.870 -0.055 0.000 1.076 361 L CA 2.468 57.273 54.840 -0.059 0.000 0.755 361 L CB -0.822 41.214 42.059 -0.038 0.000 0.915 361 L HN 0.561 8.642 8.230 -0.031 0.131 0.445 362 K N -0.416 119.962 120.400 -0.036 0.000 2.002 362 K HA -0.377 3.926 4.320 -0.027 0.000 0.209 362 K C 2.196 178.778 176.600 -0.031 0.000 1.048 362 K CA 3.293 59.563 56.287 -0.028 0.000 0.930 362 K CB -0.449 32.039 32.500 -0.019 0.000 0.714 362 K HN -0.356 7.763 8.250 -0.029 0.113 0.438 363 D N -2.261 118.120 120.400 -0.032 0.000 2.182 363 D HA -0.245 4.381 4.640 -0.024 0.000 0.201 363 D C 1.659 177.933 176.300 -0.044 0.000 0.986 363 D CA 3.083 57.065 54.000 -0.031 0.000 0.847 363 D CB -0.086 40.698 40.800 -0.027 0.000 0.942 363 D HN -0.116 8.132 8.370 -0.030 0.105 0.467 364 A N -1.121 121.660 122.820 -0.065 0.000 1.969 364 A HA -0.186 4.079 4.320 -0.092 0.000 0.218 364 A C 2.130 179.668 177.584 -0.078 0.000 1.169 364 A CA 2.709 54.688 52.037 -0.096 0.000 0.635 364 A CB -0.701 18.204 19.000 -0.157 0.000 0.810 364 A HN -0.722 7.284 8.150 -0.065 0.105 0.445 365 Q N -2.811 116.954 119.800 -0.059 0.000 2.181 365 Q HA -0.286 4.031 4.340 -0.037 0.000 0.205 365 Q C 2.206 178.193 176.000 -0.020 0.000 0.980 365 Q CA 3.439 59.220 55.803 -0.037 0.000 0.862 365 Q CB -0.362 28.360 28.738 -0.028 0.000 0.905 365 Q HN -0.094 8.021 8.270 -0.059 0.120 0.429 366 T N 0.985 115.526 114.554 -0.022 0.000 2.937 366 T HA -0.215 4.130 4.350 -0.007 0.000 0.260 366 T C 1.750 176.443 174.700 -0.011 0.000 1.051 366 T CA 4.471 66.563 62.100 -0.013 0.000 1.141 366 T CB -0.336 68.524 68.868 -0.012 0.000 0.879 366 T HN -0.773 7.327 8.240 -0.028 0.123 0.459 367 R N 1.749 122.237 120.500 -0.020 0.000 2.073 367 R HA 0.021 4.543 4.340 -0.010 -0.188 0.229 367 R C 2.169 178.466 176.300 -0.005 0.000 1.120 367 R CA 1.942 58.032 56.100 -0.017 0.000 0.967 367 R CB -0.300 29.982 30.300 -0.031 0.000 0.862 367 R HN -0.783 7.388 8.270 -0.030 0.081 0.436 368 I N -0.753 119.811 120.570 -0.010 0.000 2.264 368 I HA -0.290 3.909 4.170 0.049 0.000 0.248 368 I C 1.069 177.211 176.117 0.042 0.000 1.111 368 I CA 2.978 64.295 61.300 0.029 0.000 1.382 368 I CB 0.373 38.391 38.000 0.031 0.000 1.060 368 I HN 0.461 8.535 8.210 -0.032 0.117 0.418 369 T N -0.208 114.360 114.554 0.024 0.000 2.814 369 T HA -0.166 4.204 4.350 0.034 0.000 0.254 369 T C -0.216 174.497 174.700 0.021 0.000 1.037 369 T CA 2.135 64.250 62.100 0.025 0.000 1.143 369 T CB 0.596 69.474 68.868 0.017 0.000 0.866 369 T HN -0.447 7.783 8.240 0.011 0.016 0.431 370 K N 0.000 120.408 120.400 0.013 0.000 2.780 370 K HA 0.000 4.328 4.320 0.013 0.000 0.191 370 K CA 0.000 56.293 56.287 0.010 0.000 0.838 370 K CB 0.000 32.504 32.500 0.006 0.000 1.064 370 K HN 0.000 8.255 8.250 0.008 0.000 0.543