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 1war_1_A DATA FIRST_RESID -6 DATA SEQUENCE EAEAEFXATP ALRFVAVGDW GGVPNAPFHT AREMANAKEI ARTVQILGAD DATA SEQUENCE FILSLGDNFY FTGVQDINDK RFQETFEDVF SDRSLRKVPW YVLAGNHDHL DATA SEQUENCE GNVSAQIAYS KISKRWNFPS PFYRLHFKIP QTNVSVAIFM LDTVTLcGNS DATA SEQUENCE DDFLSQQPER PRDVKLARTQ LSWLKKQLAA AREDYVLVAG HYPVWSIAEH DATA SEQUENCE GPTHcLVKQL RPLLATYGVT AYLCGHDHNL QYLQDENGVG YVLSGAGNFM DATA SEQUENCE DPSKRHQRKV PNGYLRFHYG TEDSLGGFAY VEISSKEMTV TYIEASGKSL DATA SEQUENCE FKTRLPRRAR P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -6 E HA 0.000 4.361 4.350 0.018 0.000 0.291 -6 E C 0.000 176.604 176.600 0.006 0.000 1.382 -6 E CA 0.000 56.414 56.400 0.023 0.000 0.976 -6 E CB 0.000 29.709 29.700 0.015 0.000 0.812 -5 A N 3.029 125.846 122.820 -0.005 0.000 1.978 -5 A HA -0.170 4.144 4.320 -0.010 0.000 0.220 -5 A C 0.274 177.833 177.584 -0.042 0.000 1.170 -5 A CA 2.219 54.246 52.037 -0.017 0.000 0.636 -5 A CB 0.073 19.064 19.000 -0.014 0.000 0.810 -5 A HN 0.404 8.552 8.150 -0.003 0.000 0.448 -4 E N -3.941 116.229 120.200 -0.051 0.000 2.478 -4 E HA -0.105 4.201 4.350 -0.074 0.000 0.194 -4 E C -0.505 176.013 176.600 -0.136 0.000 1.045 -4 E CA -0.403 55.951 56.400 -0.076 0.000 0.868 -4 E CB -0.236 29.430 29.700 -0.056 0.000 0.885 -4 E HN -0.010 8.298 8.360 -0.040 0.028 0.505 -3 A N 1.655 124.377 122.820 -0.164 0.000 2.404 -3 A HA 0.010 4.114 4.320 -0.359 0.000 0.273 -3 A C -1.006 176.239 177.584 -0.566 0.000 1.144 -3 A CA 0.306 52.130 52.037 -0.355 0.000 0.806 -3 A CB 0.222 19.084 19.000 -0.231 0.000 1.080 -3 A HN -0.734 7.304 8.150 -0.109 0.047 0.509 -2 E N 5.435 125.216 120.200 -0.698 0.000 2.113 -2 E HA 0.165 4.288 4.350 -0.379 0.000 0.273 -2 E C -1.204 174.953 176.600 -0.738 0.000 0.924 -2 E CA -0.424 55.660 56.400 -0.526 0.000 0.764 -2 E CB 0.675 30.215 29.700 -0.267 0.000 1.104 -2 E HN 0.257 8.222 8.360 -0.659 0.000 0.406 2 T N 3.947 118.531 114.554 0.050 0.000 2.779 2 T HA 0.152 4.525 4.350 0.038 0.000 0.296 2 T C -1.763 172.949 174.700 0.019 0.000 0.938 2 T CA -1.031 61.088 62.100 0.032 0.000 1.119 2 T CB 0.516 69.394 68.868 0.018 0.000 0.891 2 T HN -0.017 8.247 8.240 0.040 0.000 0.526 3 P HA 0.051 4.477 4.420 0.011 0.000 0.271 3 P C -2.070 175.223 177.300 -0.010 0.000 1.216 3 P CA -0.282 62.824 63.100 0.010 0.000 0.776 3 P CB 0.683 32.393 31.700 0.017 0.000 0.881 4 A N 0.562 123.365 122.820 -0.028 0.000 2.574 4 A HA 0.313 4.746 4.320 -0.066 -0.152 0.297 4 A C -1.666 175.868 177.584 -0.084 0.000 1.062 4 A CA -0.922 51.076 52.037 -0.066 0.000 0.686 4 A CB 3.317 22.264 19.000 -0.088 0.000 1.285 4 A HN -0.323 7.813 8.150 -0.022 0.000 0.403 5 L N 1.739 122.894 121.223 -0.113 0.000 2.331 5 L HA 0.247 4.661 4.340 -0.113 -0.142 0.278 5 L C -1.319 175.412 176.870 -0.231 0.000 1.106 5 L CA -0.307 54.451 54.840 -0.137 0.000 0.824 5 L CB 2.076 44.066 42.059 -0.115 0.000 1.142 5 L HN 0.062 8.222 8.230 -0.117 0.000 0.443 6 R N 4.564 124.892 120.500 -0.287 0.000 2.561 6 R HA 0.934 5.095 4.340 -0.632 -0.201 0.297 6 R C -1.103 174.858 176.300 -0.566 0.000 0.969 6 R CA -1.560 54.254 56.100 -0.476 0.000 0.879 6 R CB 2.609 32.728 30.300 -0.302 0.000 1.178 6 R HN 0.313 8.724 8.270 -0.251 -0.292 0.445 7 F N -0.541 118.853 119.950 -0.926 0.000 2.668 7 F HA 0.813 4.934 4.527 -0.876 -0.119 0.309 7 F C -2.948 172.465 175.800 -0.646 0.000 1.117 7 F CA -1.835 55.586 58.000 -0.964 0.000 0.951 7 F CB 3.271 41.294 39.000 -1.627 0.000 1.323 7 F HN 0.654 8.243 8.300 -1.186 0.000 0.451 8 V N 0.671 120.426 119.914 -0.264 0.000 2.481 8 V HA 0.406 4.612 4.120 -0.099 -0.146 0.286 8 V C -1.358 174.702 176.094 -0.056 0.000 1.042 8 V CA -1.296 60.909 62.300 -0.159 0.000 0.928 8 V CB 1.884 33.552 31.823 -0.258 0.000 0.986 8 V HN -0.244 7.778 8.190 -0.280 0.000 0.462 9 A N 7.539 130.375 122.820 0.027 0.000 2.311 9 A HA 0.777 5.330 4.320 0.097 -0.174 0.306 9 A C -2.561 175.115 177.584 0.153 0.000 1.189 9 A CA -1.692 50.409 52.037 0.107 0.000 0.791 9 A CB 2.632 21.722 19.000 0.149 0.000 1.172 9 A HN 0.859 9.038 8.150 0.047 0.000 0.481 10 V N 4.274 124.272 119.914 0.139 0.000 2.638 10 V HA 0.503 4.821 4.120 0.330 0.000 0.306 10 V C -1.999 174.341 176.094 0.409 0.000 1.052 10 V CA -2.764 59.692 62.300 0.260 0.000 0.885 10 V CB 4.027 35.931 31.823 0.135 0.000 0.999 10 V HN -0.200 8.041 8.190 0.084 0.000 0.424 11 G N 3.413 112.502 108.800 0.481 0.000 2.533 11 G HA2 0.483 4.815 3.960 0.455 0.000 0.304 11 G HA3 0.483 4.760 3.960 0.527 0.000 0.304 11 G C -2.122 173.091 174.900 0.521 0.000 1.263 11 G CA -1.526 43.880 45.100 0.511 0.000 0.964 11 G HN -0.062 8.502 8.290 0.456 0.000 0.479 12 D N -1.834 118.799 120.400 0.388 0.000 2.699 12 D HA -0.428 4.561 4.640 0.231 -0.211 0.239 12 D C -0.733 175.755 176.300 0.313 0.000 1.136 12 D CA 1.633 55.853 54.000 0.368 0.000 0.668 12 D CB -1.616 39.554 40.800 0.616 0.000 1.060 12 D HN 0.072 8.625 8.370 0.305 0.000 0.429 13 W N -7.841 113.607 121.300 0.246 0.000 3.278 13 W HA 0.119 4.786 4.660 0.178 0.099 0.308 13 W C 0.233 176.845 176.519 0.156 0.000 1.253 13 W CA -1.825 55.651 57.345 0.217 0.000 1.759 13 W CB -0.859 28.805 29.460 0.340 0.000 1.093 13 W HN -0.758 7.179 8.180 -0.404 0.000 0.648 14 G N 1.020 109.646 108.800 -0.290 0.000 3.318 14 G HA2 -0.155 3.355 3.960 -0.702 0.000 0.230 14 G HA3 -0.155 3.541 3.960 -0.593 -0.091 0.230 14 G C -0.371 174.574 174.900 0.075 0.000 1.317 14 G CA -0.265 44.590 45.100 -0.408 0.000 1.197 14 G HN -0.531 7.482 8.290 -0.367 0.057 0.514 15 G N 0.738 109.621 108.800 0.137 0.000 2.566 15 G HA2 -0.410 3.817 3.960 0.192 0.000 0.280 15 G HA3 -0.410 3.732 3.960 0.050 -0.152 0.280 15 G C -1.527 173.376 174.900 0.005 0.000 1.225 15 G CA 0.429 45.589 45.100 0.099 0.000 0.966 15 G HN -0.288 8.100 8.290 0.130 -0.020 0.560 16 V N -5.804 114.151 119.914 0.068 0.000 3.114 16 V HA 0.538 4.638 4.120 -0.034 0.000 0.308 16 V C -1.658 174.543 176.094 0.179 0.000 1.168 16 V CA -4.156 58.168 62.300 0.041 0.000 1.015 16 V CB 1.663 33.484 31.823 -0.002 0.000 1.050 16 V HN -0.114 8.050 8.190 0.133 0.106 0.433 17 P HA 0.074 4.685 4.420 0.317 0.000 0.236 17 P C -1.377 176.120 177.300 0.328 0.000 1.177 17 P CA 0.754 64.029 63.100 0.291 0.000 0.773 17 P CB 0.313 32.182 31.700 0.281 0.000 0.878 18 N N -1.515 117.255 118.700 0.116 0.000 2.384 18 N HA 0.026 4.754 4.740 -0.020 0.000 0.301 18 N C -1.311 173.811 175.510 -0.647 0.000 1.133 18 N CA -1.234 51.746 53.050 -0.116 0.000 0.853 18 N CB 1.434 39.882 38.487 -0.064 0.000 1.241 18 N HN -0.641 7.747 8.380 0.080 0.040 0.502 19 A N 0.384 122.562 122.820 -1.071 0.000 2.587 19 A HA -0.011 3.019 4.320 -2.239 -0.053 0.233 19 A C -0.758 176.431 177.584 -0.659 0.000 1.049 19 A CA 0.232 51.499 52.037 -1.283 0.000 0.754 19 A CB -0.992 17.582 19.000 -0.709 0.000 0.977 19 A HN 0.451 8.138 8.150 -0.770 0.000 0.509 20 P HA 0.147 4.180 4.420 -0.646 0.000 0.253 20 P C -1.673 175.282 177.300 -0.575 0.000 1.459 20 P CA -0.418 62.282 63.100 -0.666 0.000 0.908 20 P CB 0.370 31.755 31.700 -0.526 0.000 1.470 21 F N -7.489 112.339 119.950 -0.203 0.000 2.795 21 F HA -0.382 4.358 4.527 -0.020 -0.225 0.297 21 F C -1.741 174.079 175.800 0.033 0.000 0.699 21 F CA 1.282 59.252 58.000 -0.049 0.000 1.384 21 F CB -2.548 36.469 39.000 0.028 0.000 1.672 21 F HN -0.349 7.490 8.300 -0.662 0.064 0.345 22 H N -7.455 111.676 119.070 0.102 0.000 2.981 22 H HA 0.688 5.389 4.556 0.072 -0.101 0.327 22 H C -1.689 173.630 175.328 -0.016 0.000 1.342 22 H CA -1.930 54.153 56.048 0.058 0.000 1.123 22 H CB 3.568 33.367 29.762 0.061 0.000 1.851 22 H HN -0.670 7.344 8.280 -0.360 0.049 0.531 23 T N -3.785 110.872 114.554 0.172 0.000 2.926 23 T HA 0.252 4.628 4.350 0.044 0.000 0.289 23 T C 0.583 175.336 174.700 0.089 0.000 1.054 23 T CA -2.089 60.048 62.100 0.062 0.000 1.015 23 T CB 2.390 71.211 68.868 -0.078 0.000 1.167 23 T HN 0.204 8.550 8.240 0.177 0.000 0.526 24 A N 1.106 123.956 122.820 0.051 0.000 1.940 24 A HA -0.287 4.060 4.320 0.046 0.000 0.219 24 A C 2.140 179.739 177.584 0.025 0.000 1.176 24 A CA 3.287 55.348 52.037 0.039 0.000 0.631 24 A CB -0.149 18.871 19.000 0.033 0.000 0.814 24 A HN 0.582 8.754 8.150 0.036 0.000 0.446 25 R N -2.388 118.121 120.500 0.015 0.000 2.075 25 R HA -0.319 4.051 4.340 0.050 0.000 0.232 25 R C 2.199 178.523 176.300 0.039 0.000 1.126 25 R CA 3.248 59.365 56.100 0.028 0.000 0.963 25 R CB -0.332 29.970 30.300 0.005 0.000 0.858 25 R HN 0.069 8.334 8.270 0.000 0.006 0.435 26 E N 0.502 120.714 120.200 0.020 0.000 2.077 26 E HA -0.242 4.379 4.350 0.114 -0.202 0.193 26 E C 2.711 179.268 176.600 -0.071 0.000 0.989 26 E CA 2.838 59.264 56.400 0.043 0.000 0.800 26 E CB -0.103 29.649 29.700 0.086 0.000 0.746 26 E HN -0.629 7.731 8.360 -0.001 0.000 0.452 27 M N -1.785 117.754 119.600 -0.101 0.000 2.156 27 M HA -0.229 4.079 4.480 -0.286 0.000 0.264 27 M C 2.412 178.652 176.300 -0.100 0.000 1.067 27 M CA 2.250 57.443 55.300 -0.179 0.000 1.131 27 M CB -0.635 31.861 32.600 -0.173 0.000 1.368 27 M HN -0.534 7.723 8.290 -0.056 0.000 0.416 28 A N -0.160 122.646 122.820 -0.024 0.000 1.908 28 A HA -0.432 3.893 4.320 0.008 0.000 0.218 28 A C 1.841 179.459 177.584 0.058 0.000 1.181 28 A CA 3.527 55.577 52.037 0.021 0.000 0.627 28 A CB -0.763 18.268 19.000 0.052 0.000 0.818 28 A HN 0.012 8.156 8.150 -0.010 0.000 0.445 29 N N -1.844 116.910 118.700 0.090 0.000 2.188 29 N HA -0.278 4.612 4.740 0.250 0.000 0.184 29 N C 2.005 177.560 175.510 0.075 0.000 1.018 29 N CA 3.150 56.303 53.050 0.171 0.000 0.858 29 N CB -0.023 38.621 38.487 0.261 0.000 0.989 29 N HN -0.413 8.014 8.380 0.078 0.000 0.426 30 A N 0.328 123.114 122.820 -0.057 0.000 1.902 30 A HA -0.277 4.071 4.320 0.046 0.000 0.217 30 A C 1.997 179.548 177.584 -0.056 0.000 1.181 30 A CA 3.290 55.234 52.037 -0.155 0.000 0.623 30 A CB -0.635 17.992 19.000 -0.622 0.000 0.818 30 A HN -0.157 7.923 8.150 -0.116 0.000 0.443 31 K N -1.439 118.928 120.400 -0.055 0.000 2.025 31 K HA -0.321 3.979 4.320 -0.034 0.000 0.207 31 K C 1.886 178.496 176.600 0.017 0.000 1.049 31 K CA 3.393 59.666 56.287 -0.023 0.000 0.933 31 K CB -0.051 32.436 32.500 -0.023 0.000 0.714 31 K HN -0.551 7.654 8.250 -0.067 0.006 0.438 32 E N -0.589 119.653 120.200 0.070 0.000 2.150 32 E HA -0.212 4.196 4.350 0.097 0.000 0.193 32 E C 2.567 179.226 176.600 0.100 0.000 0.985 32 E CA 2.216 58.699 56.400 0.139 0.000 0.814 32 E CB -0.483 29.379 29.700 0.271 0.000 0.752 32 E HN -0.581 7.830 8.360 0.085 0.000 0.466 33 I N -0.361 120.164 120.570 -0.076 0.000 2.226 33 I HA -0.525 3.346 4.170 -0.497 0.000 0.245 33 I C 1.420 177.468 176.117 -0.116 0.000 1.100 33 I CA 4.011 65.127 61.300 -0.306 0.000 1.374 33 I CB -0.210 37.562 38.000 -0.380 0.000 1.057 33 I HN 0.068 8.247 8.210 -0.052 0.000 0.413 34 A N -0.158 122.641 122.820 -0.034 0.000 1.877 34 A HA -0.318 3.997 4.320 -0.008 0.000 0.216 34 A C 2.123 179.694 177.584 -0.021 0.000 1.186 34 A CA 3.023 55.053 52.037 -0.012 0.000 0.620 34 A CB -0.591 18.411 19.000 0.003 0.000 0.822 34 A HN -0.404 7.736 8.150 -0.017 0.000 0.443 35 R N -2.762 117.730 120.500 -0.013 0.000 2.096 35 R HA -0.271 4.056 4.340 -0.021 0.000 0.235 35 R C 2.634 178.909 176.300 -0.041 0.000 1.127 35 R CA 3.157 59.246 56.100 -0.018 0.000 0.968 35 R CB -0.074 30.224 30.300 -0.004 0.000 0.861 35 R HN -0.206 8.063 8.270 -0.003 0.000 0.440 36 T N 1.642 116.170 114.554 -0.043 0.000 2.788 36 T HA -0.255 4.004 4.350 -0.152 0.000 0.268 36 T C 1.837 176.460 174.700 -0.128 0.000 1.044 36 T CA 4.937 66.969 62.100 -0.112 0.000 1.139 36 T CB -0.553 68.283 68.868 -0.054 0.000 0.867 36 T HN -0.325 7.905 8.240 -0.017 0.000 0.454 37 V N 1.300 121.171 119.914 -0.071 0.000 2.427 37 V HA -0.391 3.717 4.120 -0.020 0.000 0.248 37 V C 1.000 177.074 176.094 -0.034 0.000 1.051 37 V CA 4.111 66.388 62.300 -0.039 0.000 1.048 37 V CB -0.335 31.468 31.823 -0.032 0.000 0.666 37 V HN -0.407 7.744 8.190 -0.065 0.000 0.456 38 Q N -1.424 118.354 119.800 -0.037 0.000 2.311 38 Q HA -0.188 4.140 4.340 -0.021 0.000 0.203 38 Q C 1.499 177.475 176.000 -0.040 0.000 0.954 38 Q CA 2.934 58.719 55.803 -0.029 0.000 0.885 38 Q CB -0.034 28.690 28.738 -0.022 0.000 0.963 38 Q HN -0.575 7.560 8.270 -0.041 0.111 0.471 39 I N -1.982 118.550 120.570 -0.062 0.000 2.947 39 I HA -0.141 3.997 4.170 -0.054 0.000 0.263 39 I C 1.148 177.215 176.117 -0.082 0.000 1.130 39 I CA 2.090 63.347 61.300 -0.071 0.000 1.448 39 I CB 1.568 39.517 38.000 -0.084 0.000 1.222 39 I HN -0.497 7.668 8.210 -0.076 0.000 0.453 40 L N -3.895 117.252 121.223 -0.126 0.000 2.408 40 L HA 0.062 4.350 4.340 -0.085 0.000 0.215 40 L C 0.273 177.145 176.870 0.003 0.000 1.081 40 L CA 0.354 55.124 54.840 -0.116 0.000 0.840 40 L CB 1.019 42.866 42.059 -0.353 0.000 1.002 40 L HN -0.467 7.669 8.230 -0.157 0.000 0.468 41 G N -1.793 107.011 108.800 0.007 0.000 2.690 41 G HA2 -0.178 3.803 3.960 0.034 0.000 0.686 41 G HA3 -0.178 3.922 3.960 0.014 -0.131 0.686 41 G C -2.286 172.669 174.900 0.092 0.000 1.277 41 G CA -0.398 44.724 45.100 0.038 0.000 0.799 41 G HN -0.857 7.322 8.290 -0.030 0.093 0.613 42 A N 0.431 123.261 122.820 0.017 0.000 2.513 42 A HA 0.148 4.516 4.320 -0.100 -0.108 0.296 42 A C -2.645 174.892 177.584 -0.078 0.000 1.052 42 A CA -0.614 51.389 52.037 -0.057 0.000 0.714 42 A CB 2.649 21.611 19.000 -0.064 0.000 1.279 42 A HN -0.073 8.080 8.150 0.004 0.000 0.397 43 D N 0.926 121.240 120.400 -0.143 0.000 2.213 43 D HA 0.214 4.879 4.640 0.042 0.000 0.205 43 D C 0.215 176.597 176.300 0.137 0.000 0.961 43 D CA 2.631 56.627 54.000 -0.007 0.000 0.853 43 D CB 1.922 42.724 40.800 0.003 0.000 0.967 43 D HN 0.389 8.611 8.370 -0.246 0.000 0.496 44 F N -8.038 111.862 119.950 -0.082 0.000 2.817 44 F HA 0.476 5.044 4.527 -0.089 -0.095 0.317 44 F C -2.953 172.731 175.800 -0.193 0.000 1.168 44 F CA -1.662 56.283 58.000 -0.091 0.000 0.911 44 F CB 1.488 40.521 39.000 0.055 0.000 1.337 44 F HN -0.959 7.020 8.300 -0.536 0.000 0.464 45 I N -1.520 118.950 120.570 -0.167 0.000 2.474 45 I HA 0.413 4.472 4.170 -0.426 -0.145 0.294 45 I C -1.942 174.029 176.117 -0.244 0.000 1.005 45 I CA -1.301 59.684 61.300 -0.525 0.000 1.113 45 I CB 3.530 40.693 38.000 -1.396 0.000 1.289 45 I HN 0.270 8.409 8.210 -0.118 0.000 0.436 46 L N 6.875 128.028 121.223 -0.116 0.000 2.287 46 L HA 0.603 5.175 4.340 0.084 -0.182 0.287 46 L C -2.025 174.836 176.870 -0.016 0.000 1.022 46 L CA -1.789 53.069 54.840 0.029 0.000 0.814 46 L CB 3.093 45.221 42.059 0.116 0.000 1.217 46 L HN 0.577 8.728 8.230 -0.131 0.000 0.420 47 S N 4.935 120.673 115.700 0.063 0.000 2.499 47 S HA 0.631 5.478 4.470 0.291 -0.203 0.279 47 S C 0.238 174.947 174.600 0.182 0.000 1.219 47 S CA -1.556 56.787 58.200 0.238 0.000 1.062 47 S CB 1.073 64.534 63.200 0.435 0.000 0.978 47 S HN 0.045 8.387 8.310 0.054 0.000 0.489 48 L N 7.061 128.441 121.223 0.261 0.000 2.791 48 L HA 0.260 4.694 4.340 0.157 0.000 0.239 48 L C -1.035 176.025 176.870 0.316 0.000 1.203 48 L CA -1.371 53.609 54.840 0.233 0.000 1.002 48 L CB -0.529 41.678 42.059 0.247 0.000 1.295 48 L HN -0.008 8.430 8.230 0.347 0.000 0.504 49 G N -2.055 106.845 108.800 0.166 0.000 2.661 49 G HA2 -0.389 3.495 3.960 -0.126 0.000 0.685 49 G HA3 -0.389 3.654 3.960 -0.128 -0.160 0.685 49 G C -1.860 172.922 174.900 -0.198 0.000 1.298 49 G CA -0.758 44.302 45.100 -0.066 0.000 0.855 49 G HN -0.670 7.658 8.290 0.164 0.060 0.560 50 D N -2.006 118.130 120.400 -0.439 0.000 2.746 50 D HA -0.441 3.983 4.640 -0.467 -0.064 0.241 50 D C -0.523 175.267 176.300 -0.850 0.000 1.140 50 D CA 1.226 54.923 54.000 -0.505 0.000 0.707 50 D CB -1.540 39.158 40.800 -0.169 0.000 1.034 50 D HN -0.221 8.112 8.370 -0.490 -0.257 0.423 51 N N -2.636 115.567 118.700 -0.827 0.000 2.376 51 N HA -0.172 3.261 4.740 -2.179 0.000 0.177 51 N C -0.779 173.690 175.510 -1.735 0.000 1.024 51 N CA 2.283 54.446 53.050 -1.477 0.000 0.893 51 N CB 1.075 39.065 38.487 -0.828 0.000 0.980 51 N HN -0.400 8.082 8.380 -0.548 -0.432 0.439 52 F N -2.811 116.760 119.950 -0.632 0.000 2.659 52 F HA 0.189 4.609 4.527 -0.396 -0.130 0.342 52 F C -1.957 173.622 175.800 -0.368 0.000 1.168 52 F CA -1.271 56.467 58.000 -0.438 0.000 1.003 52 F CB 1.456 40.244 39.000 -0.353 0.000 1.267 52 F HN -0.843 7.308 8.300 -0.505 -0.154 0.463 53 Y N 1.176 121.425 120.300 -0.085 0.000 2.299 53 Y HA 0.020 4.477 4.550 -0.155 0.000 0.326 53 Y C -0.087 175.789 175.900 -0.040 0.000 1.164 53 Y CA 0.232 58.206 58.100 -0.210 0.000 1.234 53 Y CB 1.473 39.578 38.460 -0.591 0.000 1.219 53 Y HN 0.401 8.550 8.280 -0.035 0.110 0.497 54 F N 0.002 120.105 119.950 0.255 0.000 2.704 54 F HA 0.163 4.865 4.527 0.291 0.000 0.304 54 F C -0.622 175.379 175.800 0.334 0.000 1.094 54 F CA 0.682 58.849 58.000 0.279 0.000 1.275 54 F CB 1.696 40.839 39.000 0.239 0.000 1.073 54 F HN 0.339 8.881 8.300 0.403 0.000 0.586 55 T N -5.273 109.506 114.554 0.374 0.000 3.393 55 T HA 0.274 4.902 4.350 0.317 -0.088 0.298 55 T C 0.246 175.026 174.700 0.134 0.000 1.004 55 T CA -1.593 60.666 62.100 0.264 0.000 0.956 55 T CB 0.237 69.221 68.868 0.195 0.000 1.182 55 T HN -0.690 7.727 8.240 0.294 0.000 0.497 56 G N 2.909 111.776 108.800 0.112 0.000 2.566 56 G HA2 -0.502 3.470 3.960 0.020 0.000 0.280 56 G HA3 -0.502 3.596 3.960 0.080 -0.090 0.280 56 G C -2.397 172.405 174.900 -0.164 0.000 1.225 56 G CA 1.049 46.162 45.100 0.021 0.000 0.966 56 G HN -0.198 8.180 8.290 0.145 0.000 0.560 57 V N -6.820 112.929 119.914 -0.275 0.000 3.046 57 V HA 0.557 4.552 4.120 -0.436 -0.137 0.316 57 V C -0.521 175.450 176.094 -0.205 0.000 1.104 57 V CA -3.781 58.269 62.300 -0.417 0.000 1.006 57 V CB 2.700 34.046 31.823 -0.795 0.000 1.058 57 V HN -0.329 7.742 8.190 -0.199 0.000 0.440 58 Q N -0.025 119.670 119.800 -0.175 0.000 2.324 58 Q HA -0.027 4.270 4.340 -0.071 0.000 0.207 58 Q C -0.695 175.270 176.000 -0.058 0.000 0.928 58 Q CA 1.399 57.148 55.803 -0.090 0.000 0.890 58 Q CB 1.390 30.081 28.738 -0.079 0.000 1.001 58 Q HN 0.367 8.723 8.270 -0.219 -0.217 0.517 59 D N -5.867 114.505 120.400 -0.047 0.000 2.792 59 D HA -0.045 4.595 4.640 0.000 0.000 0.335 59 D C -0.623 175.724 176.300 0.079 0.000 1.353 59 D CA -0.932 53.068 54.000 -0.001 0.000 0.839 59 D CB 0.821 41.612 40.800 -0.015 0.000 1.396 59 D HN -0.573 7.755 8.370 -0.070 0.000 0.479 60 I N -2.932 117.663 120.570 0.042 0.000 2.756 60 I HA -0.235 3.921 4.170 -0.024 0.000 0.262 60 I C -0.649 175.464 176.117 -0.006 0.000 1.225 60 I CA 1.563 62.858 61.300 -0.008 0.000 1.472 60 I CB 0.207 38.170 38.000 -0.062 0.000 1.094 60 I HN 0.160 8.375 8.210 0.008 0.000 0.454 61 N N -2.407 116.308 118.700 0.025 0.000 2.280 61 N HA 0.095 4.843 4.740 0.014 0.000 0.192 61 N C -0.580 174.939 175.510 0.016 0.000 1.109 61 N CA 0.177 53.236 53.050 0.015 0.000 0.855 61 N CB 0.557 39.038 38.487 -0.010 0.000 0.974 61 N HN -0.693 7.870 8.380 0.017 -0.172 0.482 62 D N 1.688 122.101 120.400 0.022 0.000 2.487 62 D HA -0.061 4.502 4.640 -0.128 0.000 0.243 62 D C 1.001 177.226 176.300 -0.124 0.000 1.154 62 D CA 0.580 54.513 54.000 -0.112 0.000 0.876 62 D CB 1.667 42.306 40.800 -0.269 0.000 1.161 62 D HN -0.848 7.553 8.370 0.066 0.008 0.478 63 K N 5.621 125.916 120.400 -0.176 0.000 2.360 63 K HA -0.307 3.962 4.320 -0.084 0.000 0.201 63 K C 1.756 178.201 176.600 -0.259 0.000 1.046 63 K CA 2.109 58.293 56.287 -0.172 0.000 0.945 63 K CB -0.201 32.182 32.500 -0.196 0.000 0.750 63 K HN 0.394 8.534 8.250 -0.184 0.000 0.464 64 R N -1.330 118.912 120.500 -0.430 0.000 2.127 64 R HA -0.226 3.888 4.340 -0.377 0.000 0.238 64 R C 2.294 178.377 176.300 -0.361 0.000 1.134 64 R CA 2.040 57.855 56.100 -0.475 0.000 0.975 64 R CB -1.176 28.717 30.300 -0.679 0.000 0.865 64 R HN -0.308 7.951 8.270 -0.463 -0.268 0.447 65 F N -1.352 118.331 119.950 -0.445 0.000 2.126 65 F HA -0.324 4.021 4.527 -0.304 0.000 0.299 65 F C 2.131 177.932 175.800 0.003 0.000 1.096 65 F CA 4.137 61.911 58.000 -0.376 0.000 1.255 65 F CB -0.817 37.691 39.000 -0.820 0.000 0.997 65 F HN -0.472 7.488 8.300 -0.547 0.012 0.479 66 Q N -2.357 117.535 119.800 0.153 0.000 2.049 66 Q HA -0.279 4.169 4.340 0.180 0.000 0.198 66 Q C 2.548 178.634 176.000 0.144 0.000 0.971 66 Q CA 3.355 59.245 55.803 0.144 0.000 0.833 66 Q CB -0.470 28.319 28.738 0.086 0.000 0.896 66 Q HN -0.402 7.834 8.270 0.085 0.085 0.434 67 E N -2.416 117.849 120.200 0.108 0.000 2.112 67 E HA -0.083 4.386 4.350 0.198 0.000 0.190 67 E C 1.983 178.765 176.600 0.304 0.000 0.979 67 E CA 2.087 58.598 56.400 0.183 0.000 0.814 67 E CB -0.033 29.732 29.700 0.108 0.000 0.762 67 E HN -0.212 8.168 8.360 0.032 0.000 0.460 68 T N -1.192 113.568 114.554 0.342 0.000 3.040 68 T HA 0.008 4.621 4.350 0.439 0.000 0.252 68 T C -0.491 174.572 174.700 0.604 0.000 1.064 68 T CA 2.757 65.141 62.100 0.472 0.000 1.110 68 T CB 1.012 70.193 68.868 0.521 0.000 0.921 68 T HN -0.199 8.218 8.240 0.296 0.000 0.480 69 F N 0.403 120.605 119.950 0.420 0.000 2.485 69 F HA 0.173 4.979 4.527 0.466 0.000 0.274 69 F C -0.355 175.596 175.800 0.251 0.000 0.963 69 F CA 0.863 59.087 58.000 0.374 0.000 1.169 69 F CB 1.482 40.679 39.000 0.329 0.000 1.145 69 F HN -0.868 7.792 8.300 0.601 0.000 0.682 70 E N -0.807 119.385 120.200 -0.013 0.000 2.031 70 E HA -0.326 3.690 4.350 -0.558 0.000 0.193 70 E C 2.678 179.189 176.600 -0.148 0.000 0.994 70 E CA 3.291 59.563 56.400 -0.213 0.000 0.800 70 E CB -0.428 29.302 29.700 0.049 0.000 0.752 70 E HN -0.372 8.146 8.360 0.264 0.000 0.447 71 D N -2.084 118.295 120.400 -0.034 0.000 2.312 71 D HA -0.112 4.498 4.640 -0.049 0.000 0.211 71 D C 1.564 177.790 176.300 -0.122 0.000 0.964 71 D CA 2.296 56.270 54.000 -0.043 0.000 0.877 71 D CB -0.147 40.666 40.800 0.022 0.000 0.924 71 D HN -0.142 8.246 8.370 0.030 0.000 0.515 72 V N -1.449 118.358 119.914 -0.178 0.000 2.426 72 V HA -0.150 3.744 4.120 -0.376 0.000 0.242 72 V C 0.714 176.495 176.094 -0.521 0.000 1.036 72 V CA 1.747 63.812 62.300 -0.392 0.000 1.044 72 V CB 0.998 32.547 31.823 -0.457 0.000 0.688 72 V HN -0.817 7.266 8.190 -0.118 0.036 0.462 73 F N 0.319 120.113 119.950 -0.260 0.000 2.640 73 F HA 0.120 4.562 4.527 -0.141 0.000 0.331 73 F C -0.812 174.857 175.800 -0.217 0.000 1.200 73 F CA -0.400 57.457 58.000 -0.239 0.000 1.278 73 F CB -2.312 36.479 39.000 -0.348 0.000 1.571 73 F HN -0.323 7.853 8.300 -0.206 0.000 0.576 74 S N -0.844 114.816 115.700 -0.066 0.000 2.540 74 S HA 0.128 4.566 4.470 -0.053 0.000 0.222 74 S C 0.184 174.768 174.600 -0.027 0.000 1.008 74 S CA -0.629 57.537 58.200 -0.056 0.000 0.939 74 S CB 1.032 64.189 63.200 -0.073 0.000 0.865 74 S HN -0.674 7.527 8.310 -0.109 0.043 0.499 75 D N 3.998 124.387 120.400 -0.019 0.000 2.472 75 D HA -0.073 4.557 4.640 -0.017 0.000 0.237 75 D C 1.127 177.431 176.300 0.008 0.000 1.141 75 D CA 0.807 54.802 54.000 -0.008 0.000 0.875 75 D CB 1.167 41.963 40.800 -0.007 0.000 1.192 75 D HN -0.107 8.249 8.370 -0.023 0.000 0.450 76 R N 2.883 123.385 120.500 0.003 0.000 2.152 76 R HA -0.313 4.034 4.340 0.011 0.000 0.232 76 R C 1.521 177.831 176.300 0.016 0.000 1.117 76 R CA 2.351 58.456 56.100 0.009 0.000 0.981 76 R CB -0.391 29.912 30.300 0.004 0.000 0.870 76 R HN 0.380 8.649 8.270 -0.002 0.000 0.451 77 S N -1.526 114.182 115.700 0.014 0.000 2.547 77 S HA -0.096 4.383 4.470 0.015 0.000 0.235 77 S C 0.730 175.348 174.600 0.031 0.000 0.980 77 S CA 1.149 59.359 58.200 0.016 0.000 0.941 77 S CB -0.940 62.263 63.200 0.005 0.000 0.763 77 S HN -0.037 8.260 8.310 0.009 0.018 0.532 78 L N -1.389 119.864 121.223 0.049 0.000 2.672 78 L HA 0.245 4.633 4.340 0.081 0.000 0.236 78 L C 1.556 178.488 176.870 0.104 0.000 1.092 78 L CA -0.040 54.853 54.840 0.088 0.000 0.887 78 L CB 0.628 42.768 42.059 0.135 0.000 1.168 78 L HN -0.322 7.765 8.230 0.044 0.169 0.502 79 R N -0.647 119.894 120.500 0.068 0.000 2.139 79 R HA -0.317 4.057 4.340 0.055 0.000 0.243 79 R C 0.861 177.209 176.300 0.079 0.000 1.145 79 R CA 2.960 59.096 56.100 0.060 0.000 0.976 79 R CB 0.078 30.398 30.300 0.033 0.000 0.866 79 R HN -0.821 7.480 8.270 0.051 0.000 0.449 80 K N -5.573 114.875 120.400 0.080 0.000 2.355 80 K HA 0.096 4.465 4.320 0.081 0.000 0.198 80 K C -0.230 176.433 176.600 0.105 0.000 1.039 80 K CA -0.548 55.788 56.287 0.082 0.000 1.075 80 K CB 0.681 33.217 32.500 0.059 0.000 0.870 80 K HN -0.119 8.150 8.250 0.072 0.025 0.540 81 V N 3.847 123.834 119.914 0.122 0.000 2.446 81 V HA -0.081 4.100 4.120 0.102 0.000 0.276 81 V C -2.108 174.097 176.094 0.185 0.000 1.030 81 V CA -1.964 60.408 62.300 0.120 0.000 1.033 81 V CB -0.440 31.424 31.823 0.069 0.000 0.993 81 V HN -0.790 7.472 8.190 0.121 0.000 0.477 82 P HA 0.001 4.620 4.420 0.121 -0.127 0.271 82 P C -1.513 175.817 177.300 0.050 0.000 1.218 82 P CA -0.996 62.143 63.100 0.064 0.000 0.780 82 P CB 0.729 32.356 31.700 -0.121 0.000 0.901 83 W N 0.345 121.495 121.300 -0.250 0.000 2.478 83 W HA 0.495 5.294 4.660 -0.138 -0.221 0.318 83 W C -0.609 175.586 176.519 -0.540 0.000 1.062 83 W CA -1.579 55.601 57.345 -0.275 0.000 1.210 83 W CB 2.217 31.525 29.460 -0.253 0.000 1.325 83 W HN 0.743 9.079 8.180 0.261 0.000 0.496 84 Y N 0.748 121.059 120.300 0.018 0.000 2.328 84 Y HA 0.512 5.208 4.550 -0.079 -0.194 0.337 84 Y C -0.555 175.268 175.900 -0.128 0.000 0.966 84 Y CA -0.928 57.138 58.100 -0.056 0.000 1.136 84 Y CB 1.601 40.030 38.460 -0.052 0.000 1.170 84 Y HN 0.623 8.970 8.280 0.111 0.000 0.470 85 V N 2.812 122.619 119.914 -0.178 0.000 2.715 85 V HA 0.187 4.132 4.120 -0.292 0.000 0.310 85 V C -1.417 174.253 176.094 -0.708 0.000 1.054 85 V CA -1.445 60.558 62.300 -0.496 0.000 0.928 85 V CB 2.960 34.206 31.823 -0.962 0.000 1.007 85 V HN -0.017 8.083 8.190 -0.149 0.000 0.437 86 L N -1.608 119.275 121.223 -0.566 0.000 2.341 86 L HA 0.569 4.390 4.340 -0.866 0.000 0.254 86 L C -1.827 174.882 176.870 -0.267 0.000 1.040 86 L CA -2.030 52.508 54.840 -0.503 0.000 0.837 86 L CB 2.604 44.587 42.059 -0.128 0.000 1.425 86 L HN -0.423 7.601 8.230 -0.344 0.000 0.414 87 A N -2.415 120.419 122.820 0.024 0.000 2.304 87 A HA 0.230 4.580 4.320 0.050 0.000 0.301 87 A C -0.592 176.974 177.584 -0.030 0.000 1.132 87 A CA -1.044 51.054 52.037 0.101 0.000 0.819 87 A CB 1.411 20.563 19.000 0.254 0.000 1.094 87 A HN 0.298 8.541 8.150 0.155 0.000 0.492 88 G N -1.097 107.563 108.800 -0.234 0.000 2.887 88 G HA2 0.509 3.844 3.960 -1.321 0.000 0.277 88 G HA3 0.509 4.109 3.960 -0.600 0.000 0.277 88 G C -0.121 174.683 174.900 -0.159 0.000 1.346 88 G CA -1.983 42.742 45.100 -0.625 0.000 1.058 88 G HN 0.061 8.583 8.290 -0.208 -0.357 0.535 89 N N 0.861 119.517 118.700 -0.073 0.000 2.069 89 N HA -0.430 4.385 4.740 0.125 0.000 0.191 89 N C 1.395 176.951 175.510 0.076 0.000 1.031 89 N CA 3.589 56.704 53.050 0.108 0.000 0.852 89 N CB -0.308 38.321 38.487 0.236 0.000 1.018 89 N HN -0.011 8.325 8.380 -0.075 0.000 0.423 90 H N -1.396 117.769 119.070 0.158 0.000 2.457 90 H HA -0.108 4.587 4.556 0.232 0.000 0.294 90 H C 2.074 177.448 175.328 0.076 0.000 1.064 90 H CA 3.620 59.763 56.048 0.158 0.000 1.330 90 H CB -0.352 29.502 29.762 0.153 0.000 1.395 90 H HN -0.448 8.218 8.280 0.198 -0.267 0.541 91 D N -0.701 119.760 120.400 0.102 0.000 2.183 91 D HA -0.120 4.556 4.640 0.060 0.000 0.203 91 D C 1.694 177.996 176.300 0.003 0.000 0.969 91 D CA 3.304 57.331 54.000 0.045 0.000 0.842 91 D CB -0.184 40.626 40.800 0.017 0.000 0.957 91 D HN -0.664 7.722 8.370 0.060 0.020 0.484 92 H N -1.979 117.130 119.070 0.064 0.000 2.547 92 H HA -0.052 4.543 4.556 0.064 0.000 0.272 92 H C 1.053 176.416 175.328 0.058 0.000 0.989 92 H CA 1.662 57.747 56.048 0.061 0.000 1.214 92 H CB -0.054 29.741 29.762 0.056 0.000 1.389 92 H HN -0.714 7.706 8.280 0.232 0.000 0.577 93 L N -2.694 118.623 121.223 0.157 0.000 2.395 93 L HA -0.110 4.297 4.340 0.111 0.000 0.218 93 L C 0.331 177.253 176.870 0.087 0.000 1.130 93 L CA 0.480 55.393 54.840 0.122 0.000 0.826 93 L CB 0.072 42.219 42.059 0.147 0.000 0.941 93 L HN -0.812 7.375 8.230 0.163 0.141 0.451 94 G N -2.087 106.749 108.800 0.061 0.000 3.119 94 G HA2 0.200 4.272 3.960 0.000 0.000 0.206 94 G HA3 0.200 4.173 3.960 0.021 0.000 0.206 94 G C -1.914 172.981 174.900 -0.008 0.000 1.313 94 G CA -1.147 43.964 45.100 0.017 0.000 1.010 94 G HN -0.737 7.450 8.290 0.061 0.140 0.578 95 N N 1.074 119.755 118.700 -0.032 0.000 2.605 95 N HA 0.032 4.754 4.740 -0.030 0.000 0.258 95 N C 0.550 176.029 175.510 -0.051 0.000 1.156 95 N CA -1.284 51.743 53.050 -0.038 0.000 1.008 95 N CB -0.954 37.512 38.487 -0.036 0.000 1.354 95 N HN -0.177 8.177 8.380 -0.042 0.000 0.509 96 V N 4.561 124.419 119.914 -0.092 0.000 2.490 96 V HA -0.460 3.615 4.120 -0.076 0.000 0.250 96 V C 1.189 177.205 176.094 -0.130 0.000 1.061 96 V CA 3.079 65.298 62.300 -0.134 0.000 1.064 96 V CB 0.070 31.697 31.823 -0.328 0.000 0.670 96 V HN -0.259 7.872 8.190 -0.099 0.000 0.461 97 S N -0.042 115.592 115.700 -0.110 0.000 2.419 97 S HA -0.241 4.123 4.470 -0.176 0.000 0.233 97 S C 1.642 176.192 174.600 -0.083 0.000 1.016 97 S CA 3.405 61.533 58.200 -0.120 0.000 0.974 97 S CB -0.901 62.249 63.200 -0.083 0.000 0.786 97 S HN -0.147 8.172 8.310 -0.087 -0.061 0.492 98 A N 0.678 123.483 122.820 -0.026 0.000 1.969 98 A HA -0.226 4.096 4.320 0.004 0.000 0.218 98 A C 1.919 179.577 177.584 0.123 0.000 1.169 98 A CA 3.034 55.092 52.037 0.034 0.000 0.635 98 A CB -0.754 18.283 19.000 0.062 0.000 0.810 98 A HN -0.445 7.840 8.150 -0.027 -0.150 0.445 99 Q N -1.600 118.309 119.800 0.183 0.000 2.172 99 Q HA -0.294 4.372 4.340 0.544 0.000 0.200 99 Q C 2.510 178.707 176.000 0.328 0.000 0.964 99 Q CA 2.740 58.798 55.803 0.425 0.000 0.855 99 Q CB -0.029 29.072 28.738 0.606 0.000 0.918 99 Q HN -0.570 7.672 8.270 0.113 0.095 0.444 100 I N 0.682 121.151 120.570 -0.168 0.000 2.163 100 I HA -0.301 3.819 4.170 -0.364 -0.168 0.240 100 I C 2.360 178.460 176.117 -0.029 0.000 1.081 100 I CA 3.493 64.618 61.300 -0.291 0.000 1.353 100 I CB 0.050 37.772 38.000 -0.462 0.000 1.054 100 I HN -0.601 7.463 8.210 -0.243 0.000 0.407 101 A N -0.241 122.553 122.820 -0.043 0.000 1.972 101 A HA -0.277 4.010 4.320 -0.055 0.000 0.219 101 A C 1.882 179.446 177.584 -0.033 0.000 1.169 101 A CA 2.872 54.884 52.037 -0.041 0.000 0.635 101 A CB -1.074 17.892 19.000 -0.056 0.000 0.810 101 A HN -0.236 7.875 8.150 -0.065 0.000 0.446 102 Y N -1.131 119.046 120.300 -0.204 0.000 2.384 102 Y HA -0.422 3.851 4.550 -0.462 0.000 0.289 102 Y C 0.860 176.669 175.900 -0.153 0.000 1.152 102 Y CA 2.910 60.761 58.100 -0.416 0.000 1.258 102 Y CB -0.249 37.613 38.460 -0.997 0.000 0.979 102 Y HN -0.341 7.963 8.280 0.075 0.021 0.549 103 S N -0.728 115.070 115.700 0.162 0.000 2.407 103 S HA -0.299 4.541 4.470 0.275 -0.205 0.235 103 S C 1.066 175.635 174.600 -0.052 0.000 1.036 103 S CA 3.024 61.318 58.200 0.156 0.000 1.013 103 S CB -0.591 62.707 63.200 0.162 0.000 0.820 103 S HN -0.623 7.839 8.310 0.285 0.019 0.476 104 K N -2.079 118.257 120.400 -0.106 0.000 2.366 104 K HA -0.142 4.123 4.320 -0.092 0.000 0.198 104 K C 1.254 177.745 176.600 -0.180 0.000 1.044 104 K CA 1.691 57.906 56.287 -0.120 0.000 0.973 104 K CB 0.123 32.564 32.500 -0.098 0.000 0.767 104 K HN -0.522 7.646 8.250 -0.096 0.025 0.475 105 I N -2.361 118.021 120.570 -0.312 0.000 2.729 105 I HA -0.065 3.952 4.170 -0.256 0.000 0.256 105 I C -0.027 175.841 176.117 -0.414 0.000 1.115 105 I CA 1.177 62.250 61.300 -0.378 0.000 1.446 105 I CB 1.415 39.114 38.000 -0.501 0.000 1.176 105 I HN -0.711 7.120 8.210 -0.383 0.149 0.446 106 S N -1.068 114.270 115.700 -0.603 0.000 2.422 106 S HA 0.209 4.522 4.470 -0.262 0.000 0.308 106 S C 1.052 175.575 174.600 -0.129 0.000 1.097 106 S CA -1.202 56.774 58.200 -0.372 0.000 1.099 106 S CB 0.226 63.138 63.200 -0.480 0.000 0.976 106 S HN -0.517 7.311 8.310 -0.804 0.000 0.471 107 K N 8.024 128.391 120.400 -0.055 0.000 2.074 107 K HA -0.297 4.010 4.320 -0.022 0.000 0.209 107 K C 1.455 178.083 176.600 0.045 0.000 1.048 107 K CA 2.765 59.048 56.287 -0.006 0.000 0.926 107 K CB 0.018 32.520 32.500 0.003 0.000 0.713 107 K HN 0.602 8.815 8.250 -0.061 0.000 0.444 108 R N -4.150 116.415 120.500 0.108 0.000 2.276 108 R HA -0.047 4.364 4.340 0.118 0.000 0.203 108 R C -1.036 175.401 176.300 0.229 0.000 1.017 108 R CA 0.588 56.792 56.100 0.174 0.000 1.010 108 R CB 0.238 30.684 30.300 0.243 0.000 0.900 108 R HN -0.033 8.303 8.270 0.110 0.000 0.469 109 W N 1.814 123.124 121.300 0.018 0.000 2.332 109 W HA 0.095 4.772 4.660 0.029 0.000 0.306 109 W C -2.595 173.917 176.519 -0.010 0.000 1.149 109 W CA -0.016 57.339 57.345 0.017 0.000 1.271 109 W CB 1.037 30.538 29.460 0.069 0.000 1.243 109 W HN -0.797 7.538 8.180 0.318 0.036 0.459 110 N N 8.812 127.363 118.700 -0.249 0.000 2.483 110 N HA 0.184 4.898 4.740 -0.045 0.000 0.267 110 N C -2.672 172.755 175.510 -0.138 0.000 0.998 110 N CA -0.144 52.802 53.050 -0.174 0.000 0.918 110 N CB 2.957 41.231 38.487 -0.354 0.000 1.215 110 N HN 0.114 8.237 8.380 -0.429 0.000 0.500 111 F N 4.625 124.450 119.950 -0.207 0.000 2.946 111 F HA 0.617 5.001 4.527 -0.239 0.000 0.375 111 F C -2.768 172.904 175.800 -0.213 0.000 1.320 111 F CA -3.738 54.148 58.000 -0.189 0.000 1.181 111 F CB 2.229 41.219 39.000 -0.017 0.000 2.051 111 F HN 0.188 8.560 8.300 0.120 0.000 0.622 112 P HA -0.029 4.300 4.420 -0.152 0.000 0.222 112 P C -1.379 175.786 177.300 -0.225 0.000 1.153 112 P CA 1.109 64.067 63.100 -0.237 0.000 0.798 112 P CB 0.649 32.156 31.700 -0.323 0.000 0.796 113 S N -4.629 110.960 115.700 -0.184 0.000 2.611 113 S HA 0.194 4.527 4.470 -0.227 0.000 0.268 113 S C -2.640 172.013 174.600 0.088 0.000 1.156 113 S CA -2.313 55.794 58.200 -0.156 0.000 0.817 113 S CB 0.775 63.827 63.200 -0.246 0.000 1.122 113 S HN -0.792 7.418 8.310 -0.167 0.000 0.466 114 P HA -0.069 4.608 4.420 0.429 0.000 0.216 114 P C -1.997 175.559 177.300 0.426 0.000 1.150 114 P CA 1.110 64.368 63.100 0.263 0.000 0.837 114 P CB 0.492 32.292 31.700 0.166 0.000 0.786 115 F N -8.020 112.018 119.950 0.146 0.000 2.588 115 F HA 0.429 5.154 4.527 0.089 -0.144 0.310 115 F C -1.884 173.919 175.800 0.005 0.000 1.082 115 F CA -2.422 55.582 58.000 0.006 0.000 0.929 115 F CB 2.574 41.432 39.000 -0.236 0.000 1.254 115 F HN -0.958 7.052 8.300 -0.484 0.000 0.455 116 Y N -2.860 117.544 120.300 0.174 0.000 2.741 116 Y HA 0.253 4.924 4.550 0.202 0.000 0.339 116 Y C -3.169 172.998 175.900 0.444 0.000 1.226 116 Y CA -1.399 56.836 58.100 0.224 0.000 1.072 116 Y CB 2.240 40.744 38.460 0.073 0.000 1.331 116 Y HN 0.523 8.864 8.280 0.102 0.000 0.453 117 R N 2.415 123.201 120.500 0.476 0.000 2.514 117 R HA 0.535 4.926 4.340 -0.138 -0.134 0.301 117 R C -1.480 174.780 176.300 -0.066 0.000 0.962 117 R CA -1.666 54.485 56.100 0.086 0.000 0.882 117 R CB 1.981 32.375 30.300 0.156 0.000 1.143 117 R HN 0.266 8.849 8.270 0.522 0.000 0.452 118 L N 5.311 126.331 121.223 -0.339 0.000 2.342 118 L HA 0.483 4.547 4.340 -0.461 0.000 0.271 118 L C -2.064 174.483 176.870 -0.539 0.000 1.008 118 L CA -1.226 53.311 54.840 -0.506 0.000 0.818 118 L CB 3.721 45.370 42.059 -0.685 0.000 1.296 118 L HN 0.584 8.541 8.230 -0.456 0.000 0.427 119 H N 2.292 120.909 119.070 -0.755 0.000 2.689 119 H HA 0.720 5.205 4.556 -0.387 -0.161 0.346 119 H C -1.091 173.803 175.328 -0.723 0.000 1.037 119 H CA -1.316 54.411 56.048 -0.536 0.000 1.234 119 H CB 2.437 32.013 29.762 -0.311 0.000 1.572 119 H HN 0.239 8.086 8.280 -0.722 0.000 0.524 120 F N 5.587 125.156 119.950 -0.635 0.000 2.576 120 F HA 0.320 4.682 4.527 -0.275 0.000 0.313 120 F C -1.226 174.325 175.800 -0.415 0.000 1.078 120 F CA -1.105 56.655 58.000 -0.399 0.000 0.921 120 F CB 4.881 43.749 39.000 -0.220 0.000 1.232 120 F HN 0.651 8.610 8.300 -0.568 0.000 0.459 121 K N 0.734 121.138 120.400 0.008 0.000 2.130 121 K HA 0.460 4.922 4.320 -0.008 -0.146 0.268 121 K C -0.372 176.267 176.600 0.064 0.000 0.983 121 K CA -1.218 55.086 56.287 0.027 0.000 0.893 121 K CB 1.435 33.970 32.500 0.059 0.000 1.066 121 K HN 0.048 8.343 8.250 0.074 0.000 0.450 122 I N 4.783 125.380 120.570 0.046 0.000 2.581 122 I HA 0.011 4.191 4.170 0.017 0.000 0.285 122 I C -1.902 174.238 176.117 0.038 0.000 1.129 122 I CA -1.387 59.931 61.300 0.031 0.000 1.397 122 I CB -0.345 37.671 38.000 0.028 0.000 1.399 122 I HN 0.111 8.350 8.210 0.048 0.000 0.537 123 P HA -0.055 4.395 4.420 0.050 0.000 0.269 123 P C -0.912 176.409 177.300 0.034 0.000 1.209 123 P CA 0.560 63.685 63.100 0.042 0.000 0.776 123 P CB 0.376 32.102 31.700 0.042 0.000 0.876 124 Q N -3.631 116.191 119.800 0.035 0.000 2.424 124 Q HA -0.316 4.041 4.340 0.028 0.000 0.234 124 Q C -0.508 175.507 176.000 0.025 0.000 0.748 124 Q CA 1.258 57.078 55.803 0.029 0.000 1.286 124 Q CB -1.296 27.458 28.738 0.028 0.000 1.494 124 Q HN 0.712 9.005 8.270 0.038 0.000 0.683 125 T N -3.915 110.657 114.554 0.031 0.000 2.831 125 T HA 0.247 4.611 4.350 0.024 0.000 0.287 125 T C -0.692 174.031 174.700 0.039 0.000 1.070 125 T CA -1.832 60.286 62.100 0.031 0.000 1.010 125 T CB 1.606 70.496 68.868 0.036 0.000 1.264 125 T HN -0.550 7.647 8.240 0.036 0.064 0.532 126 N N -1.526 117.198 118.700 0.039 0.000 2.280 126 N HA 0.057 4.826 4.740 0.049 0.000 0.192 126 N C -0.376 175.168 175.510 0.057 0.000 1.109 126 N CA -0.171 52.906 53.050 0.045 0.000 0.855 126 N CB 0.371 38.879 38.487 0.034 0.000 0.974 126 N HN 0.175 8.575 8.380 0.034 0.000 0.482 127 V N 1.386 121.338 119.914 0.064 0.000 2.583 127 V HA -0.058 4.284 4.120 0.080 -0.174 0.287 127 V C -0.812 175.337 176.094 0.091 0.000 1.051 127 V CA 0.455 62.808 62.300 0.088 0.000 1.010 127 V CB 0.409 32.303 31.823 0.119 0.000 0.988 127 V HN -0.696 7.472 8.190 0.060 0.058 0.478 128 S N 5.507 121.267 115.700 0.100 0.000 2.599 128 S HA 0.902 5.508 4.470 -0.017 -0.146 0.294 128 S C -1.471 173.178 174.600 0.082 0.000 1.094 128 S CA -1.697 56.522 58.200 0.032 0.000 0.931 128 S CB 3.411 66.632 63.200 0.035 0.000 1.093 128 S HN 0.143 8.807 8.310 0.112 -0.287 0.488 129 V N 0.720 120.622 119.914 -0.020 0.000 2.638 129 V HA 0.672 5.073 4.120 0.160 -0.186 0.306 129 V C -1.838 174.233 176.094 -0.039 0.000 1.052 129 V CA -1.376 60.962 62.300 0.064 0.000 0.885 129 V CB 4.163 36.036 31.823 0.083 0.000 0.999 129 V HN 0.433 8.524 8.190 -0.164 0.000 0.424 130 A N 6.235 129.048 122.820 -0.012 0.000 2.337 130 A HA 1.084 5.455 4.320 -0.231 -0.190 0.329 130 A C -1.776 175.681 177.584 -0.210 0.000 1.146 130 A CA -2.723 49.211 52.037 -0.171 0.000 0.800 130 A CB 3.359 22.247 19.000 -0.187 0.000 1.220 130 A HN 0.751 8.934 8.150 0.056 0.000 0.472 131 I N 0.595 120.933 120.570 -0.386 0.000 2.466 131 I HA 0.559 4.848 4.170 -0.164 -0.217 0.289 131 I C -1.470 174.331 176.117 -0.526 0.000 1.026 131 I CA -1.272 59.842 61.300 -0.310 0.000 1.078 131 I CB 3.199 41.073 38.000 -0.210 0.000 1.249 131 I HN 0.168 8.104 8.210 -0.457 0.000 0.429 132 F N 6.993 126.929 119.950 -0.023 0.000 2.404 132 F HA 0.374 5.063 4.527 0.049 -0.132 0.354 132 F C -0.819 174.978 175.800 -0.005 0.000 1.122 132 F CA -1.273 56.743 58.000 0.026 0.000 1.080 132 F CB 2.033 41.059 39.000 0.045 0.000 1.131 132 F HN 0.314 8.657 8.300 0.073 0.000 0.471 133 M N 2.963 122.556 119.600 -0.011 0.000 2.080 133 M HA 0.341 4.880 4.480 -0.093 -0.115 0.350 133 M C -1.344 174.992 176.300 0.060 0.000 1.173 133 M CA -1.416 53.779 55.300 -0.175 0.000 1.052 133 M CB -0.366 31.752 32.600 -0.804 0.000 1.577 133 M HN 0.557 8.798 8.290 -0.081 0.000 0.455 134 L N 2.601 123.911 121.223 0.144 0.000 2.334 134 L HA 0.438 5.005 4.340 0.240 -0.083 0.272 134 L C -0.832 176.145 176.870 0.178 0.000 1.020 134 L CA -1.305 53.653 54.840 0.197 0.000 0.812 134 L CB 1.976 44.150 42.059 0.191 0.000 1.264 134 L HN 0.300 8.600 8.230 0.117 0.000 0.439 135 D N 1.384 121.907 120.400 0.205 0.000 2.485 135 D HA 0.196 4.954 4.640 0.197 0.000 0.221 135 D C 0.124 176.459 176.300 0.058 0.000 1.112 135 D CA -1.345 52.774 54.000 0.198 0.000 0.911 135 D CB 1.116 42.119 40.800 0.338 0.000 1.019 135 D HN -0.167 8.570 8.370 0.209 -0.241 0.516 136 T N 2.421 116.957 114.554 -0.030 0.000 3.035 136 T HA -0.174 4.172 4.350 -0.007 0.000 0.268 136 T C 1.063 175.681 174.700 -0.136 0.000 1.109 136 T CA 2.498 64.544 62.100 -0.091 0.000 1.119 136 T CB -0.217 68.568 68.868 -0.139 0.000 0.900 136 T HN 0.293 8.510 8.240 -0.038 0.000 0.503 137 V N 3.146 122.912 119.914 -0.247 0.000 2.358 137 V HA -0.188 4.083 4.120 -0.046 -0.179 0.246 137 V C 2.068 178.068 176.094 -0.157 0.000 1.047 137 V CA 3.692 65.853 62.300 -0.231 0.000 1.035 137 V CB -0.550 30.944 31.823 -0.548 0.000 0.658 137 V HN -0.490 7.597 8.190 -0.249 -0.046 0.452 138 T N -1.030 113.431 114.554 -0.154 0.000 2.995 138 T HA -0.307 4.009 4.350 -0.056 0.000 0.269 138 T C 1.148 175.842 174.700 -0.010 0.000 1.091 138 T CA 3.363 65.434 62.100 -0.049 0.000 1.128 138 T CB -0.123 68.767 68.868 0.038 0.000 0.891 138 T HN -0.346 8.078 8.240 -0.149 -0.274 0.492 139 L N -0.953 120.262 121.223 -0.013 0.000 2.095 139 L HA -0.052 4.271 4.340 -0.028 0.000 0.204 139 L C 0.554 177.431 176.870 0.013 0.000 1.080 139 L CA 2.459 57.291 54.840 -0.013 0.000 0.759 139 L CB 0.362 42.410 42.059 -0.020 0.000 0.914 139 L HN -0.667 7.429 8.230 -0.018 0.123 0.439 140 c N -6.762 111.873 118.600 0.058 0.000 3.364 140 c HA 0.261 4.842 4.570 0.018 0.000 0.340 140 c C -0.488 173.644 174.090 0.071 0.000 1.336 140 c CA -0.799 55.569 56.329 0.064 0.000 1.778 140 c CB 1.145 43.728 42.510 0.121 0.000 2.398 140 c HN -0.461 7.816 8.230 0.078 0.000 0.667 141 G N -0.222 108.647 108.800 0.115 0.000 2.612 141 G HA2 -0.196 4.034 3.960 0.206 0.000 0.686 141 G HA3 -0.196 3.852 3.960 0.147 0.000 0.686 141 G C -2.550 172.494 174.900 0.242 0.000 1.274 141 G CA -0.486 44.718 45.100 0.173 0.000 0.849 141 G HN -0.205 8.140 8.290 0.092 0.000 0.595 142 N N -0.537 118.317 118.700 0.256 0.000 2.422 142 N HA 0.489 5.406 4.740 0.294 0.000 0.266 142 N C 1.927 177.622 175.510 0.308 0.000 1.007 142 N CA -1.479 51.720 53.050 0.249 0.000 0.941 142 N CB 1.451 40.019 38.487 0.134 0.000 1.115 142 N HN 0.191 8.726 8.380 0.259 0.000 0.492 143 S N 6.672 122.528 115.700 0.260 0.000 2.419 143 S HA -0.261 4.345 4.470 0.227 0.000 0.233 143 S C 1.400 176.145 174.600 0.242 0.000 1.016 143 S CA 2.746 61.073 58.200 0.211 0.000 0.974 143 S CB -0.386 62.872 63.200 0.096 0.000 0.786 143 S HN 0.170 8.663 8.310 0.305 0.000 0.492 144 D N 0.781 121.274 120.400 0.155 0.000 2.348 144 D HA -0.093 4.610 4.640 0.105 0.000 0.216 144 D C 0.608 176.906 176.300 -0.002 0.000 0.970 144 D CA 2.050 56.098 54.000 0.079 0.000 0.889 144 D CB -0.446 40.366 40.800 0.020 0.000 0.912 144 D HN -0.418 8.267 8.370 0.143 -0.229 0.524 145 D N -1.723 118.625 120.400 -0.087 0.000 2.347 145 D HA 0.009 4.459 4.640 -0.318 0.000 0.215 145 D C -0.620 175.248 176.300 -0.721 0.000 0.976 145 D CA 1.472 55.202 54.000 -0.450 0.000 0.884 145 D CB 0.630 41.018 40.800 -0.687 0.000 0.915 145 D HN -0.530 7.806 8.370 -0.002 0.033 0.526 146 F N -3.251 116.715 119.950 0.025 0.000 2.532 146 F HA 0.253 4.789 4.527 0.016 0.000 0.321 146 F C 1.329 177.145 175.800 0.027 0.000 1.089 146 F CA -1.309 56.703 58.000 0.020 0.000 0.926 146 F CB 2.318 41.324 39.000 0.011 0.000 1.168 146 F HN -0.879 7.444 8.300 0.121 0.050 0.459 147 L N 4.482 125.810 121.223 0.175 0.000 2.046 147 L HA -0.295 4.094 4.340 0.082 0.000 0.208 147 L C 0.846 177.785 176.870 0.114 0.000 1.077 147 L CA 2.378 57.282 54.840 0.107 0.000 0.747 147 L CB -0.141 41.962 42.059 0.074 0.000 0.896 147 L HN 0.446 8.784 8.230 0.180 0.000 0.432 148 S N -6.047 109.732 115.700 0.131 0.000 2.465 148 S HA -0.223 4.296 4.470 0.082 0.000 0.241 148 S C 0.514 175.193 174.600 0.133 0.000 1.000 148 S CA 0.474 58.736 58.200 0.103 0.000 0.964 148 S CB -0.403 62.835 63.200 0.064 0.000 0.763 148 S HN -0.064 8.335 8.310 0.150 0.000 0.512 149 Q N -3.889 116.022 119.800 0.185 0.000 2.475 149 Q HA -0.452 4.288 4.340 0.248 -0.251 0.280 149 Q C -1.680 174.429 176.000 0.182 0.000 1.234 149 Q CA 0.842 56.787 55.803 0.237 0.000 0.873 149 Q CB -1.964 26.957 28.738 0.304 0.000 1.256 149 Q HN -0.364 7.861 8.270 0.209 0.171 0.475 150 Q N -1.458 118.381 119.800 0.065 0.000 2.321 150 Q HA 0.390 4.655 4.340 -0.126 0.000 0.270 150 Q C -2.464 173.397 176.000 -0.231 0.000 1.032 150 Q CA -3.642 52.103 55.803 -0.097 0.000 0.784 150 Q CB 2.628 31.308 28.738 -0.096 0.000 1.264 150 Q HN -0.851 7.453 8.270 0.091 0.021 0.448 151 P HA 0.068 4.354 4.420 -0.224 0.000 0.274 151 P C -1.273 175.743 177.300 -0.474 0.000 1.291 151 P CA 0.028 62.940 63.100 -0.314 0.000 0.815 151 P CB 0.881 32.444 31.700 -0.228 0.000 0.897 152 E N 1.713 121.323 120.200 -0.983 0.000 2.340 152 E HA -0.106 3.976 4.350 -0.447 0.000 0.194 152 E C -0.720 175.657 176.600 -0.373 0.000 0.996 152 E CA 1.093 57.069 56.400 -0.707 0.000 0.869 152 E CB 0.864 30.024 29.700 -0.900 0.000 0.835 152 E HN 0.202 7.474 8.360 -1.813 0.000 0.493 153 R N -4.340 116.004 120.500 -0.259 0.000 2.629 153 R HA 0.344 4.661 4.340 -0.039 0.000 0.266 153 R C -3.029 173.322 176.300 0.086 0.000 1.051 153 R CA -2.941 53.148 56.100 -0.018 0.000 0.895 153 R CB 0.630 30.957 30.300 0.045 0.000 1.246 153 R HN -0.780 7.289 8.270 -0.335 0.000 0.459 154 P HA 0.217 4.760 4.420 0.083 -0.073 0.274 154 P C -0.363 176.987 177.300 0.084 0.000 1.237 154 P CA -0.771 62.371 63.100 0.071 0.000 0.793 154 P CB 1.346 33.068 31.700 0.037 0.000 0.977 155 R N 0.710 121.256 120.500 0.077 0.000 2.090 155 R HA -0.182 4.204 4.340 0.077 0.000 0.228 155 R C -0.884 175.447 176.300 0.052 0.000 1.110 155 R CA 2.046 58.186 56.100 0.067 0.000 0.973 155 R CB 0.338 30.671 30.300 0.055 0.000 0.869 155 R HN 0.173 8.483 8.270 0.068 0.000 0.440 156 D N -2.806 117.621 120.400 0.046 0.000 2.421 156 D HA 0.165 4.828 4.640 0.038 0.000 0.254 156 D C -0.074 176.246 176.300 0.034 0.000 1.238 156 D CA -1.341 52.683 54.000 0.040 0.000 0.919 156 D CB 0.703 41.528 40.800 0.042 0.000 1.152 156 D HN -0.396 8.001 8.370 0.045 0.000 0.552 157 V N 7.193 127.126 119.914 0.030 0.000 2.392 157 V HA -0.496 3.636 4.120 0.020 0.000 0.249 157 V C 1.250 177.356 176.094 0.021 0.000 1.059 157 V CA 2.990 65.303 62.300 0.023 0.000 1.051 157 V CB 0.230 32.065 31.823 0.021 0.000 0.658 157 V HN 0.480 8.689 8.190 0.031 0.000 0.455 158 K N -0.910 119.505 120.400 0.026 0.000 2.148 158 K HA -0.268 4.067 4.320 0.025 0.000 0.204 158 K C 2.168 178.788 176.600 0.035 0.000 1.050 158 K CA 2.986 59.290 56.287 0.028 0.000 0.942 158 K CB -0.137 32.380 32.500 0.030 0.000 0.724 158 K HN -0.631 7.773 8.250 0.027 -0.137 0.446 159 L N -0.843 120.404 121.223 0.041 0.000 2.056 159 L HA -0.296 4.086 4.340 0.070 0.000 0.207 159 L C 1.223 178.112 176.870 0.032 0.000 1.078 159 L CA 2.689 57.563 54.840 0.056 0.000 0.749 159 L CB -0.244 41.855 42.059 0.067 0.000 0.901 159 L HN -0.791 7.655 8.230 0.039 -0.192 0.433 160 A N -0.969 121.859 122.820 0.013 0.000 1.883 160 A HA -0.387 3.914 4.320 -0.033 0.000 0.217 160 A C 2.160 179.725 177.584 -0.031 0.000 1.186 160 A CA 3.243 55.270 52.037 -0.016 0.000 0.624 160 A CB -0.722 18.274 19.000 -0.007 0.000 0.822 160 A HN -0.433 7.729 8.150 0.020 0.000 0.444 161 R N -3.640 116.856 120.500 -0.008 0.000 2.115 161 R HA -0.298 4.034 4.340 -0.014 0.000 0.230 161 R C 2.312 178.615 176.300 0.004 0.000 1.111 161 R CA 3.508 59.605 56.100 -0.004 0.000 0.976 161 R CB -0.021 30.284 30.300 0.008 0.000 0.870 161 R HN -0.377 7.895 8.270 0.004 0.000 0.445 162 T N 2.336 116.901 114.554 0.018 0.000 2.777 162 T HA -0.359 4.033 4.350 0.071 0.000 0.266 162 T C 1.475 176.186 174.700 0.019 0.000 1.040 162 T CA 5.041 67.174 62.100 0.055 0.000 1.141 162 T CB -0.551 68.373 68.868 0.093 0.000 0.868 162 T HN -0.385 7.849 8.240 0.021 0.018 0.444 163 Q N 2.055 121.764 119.800 -0.153 0.000 2.084 163 Q HA -0.275 3.579 4.340 -0.810 0.000 0.202 163 Q C 2.110 178.014 176.000 -0.159 0.000 0.978 163 Q CA 3.271 58.769 55.803 -0.508 0.000 0.844 163 Q CB -0.084 28.180 28.738 -0.790 0.000 0.898 163 Q HN -0.667 7.525 8.270 -0.130 0.000 0.426 164 L N -1.005 120.165 121.223 -0.089 0.000 2.056 164 L HA -0.337 3.972 4.340 -0.053 0.000 0.207 164 L C 1.868 178.728 176.870 -0.016 0.000 1.078 164 L CA 3.203 58.016 54.840 -0.046 0.000 0.749 164 L CB -0.031 42.000 42.059 -0.046 0.000 0.901 164 L HN -0.478 7.698 8.230 -0.091 0.000 0.433 165 S N 0.440 116.150 115.700 0.017 0.000 2.368 165 S HA -0.305 4.161 4.470 -0.006 0.000 0.225 165 S C 1.744 176.374 174.600 0.050 0.000 1.030 165 S CA 3.668 61.883 58.200 0.026 0.000 0.999 165 S CB -0.625 62.604 63.200 0.048 0.000 0.844 165 S HN -0.252 8.070 8.310 0.019 0.000 0.459 166 W N 2.588 123.842 121.300 -0.076 0.000 2.318 166 W HA -0.391 4.263 4.660 -0.010 0.000 0.313 166 W C 1.133 177.576 176.519 -0.127 0.000 1.221 166 W CA 4.046 61.364 57.345 -0.044 0.000 1.266 166 W CB -0.012 29.478 29.460 0.050 0.000 1.150 166 W HN -0.244 8.102 8.180 0.276 0.000 0.496 167 L N -1.310 119.845 121.223 -0.114 0.000 2.083 167 L HA -0.433 3.306 4.340 -1.003 0.000 0.209 167 L C 1.718 178.248 176.870 -0.568 0.000 1.083 167 L CA 3.328 57.861 54.840 -0.513 0.000 0.752 167 L CB -0.380 41.563 42.059 -0.194 0.000 0.899 167 L HN -0.176 8.134 8.230 0.133 0.000 0.433 168 K N -1.034 119.161 120.400 -0.341 0.000 2.025 168 K HA -0.412 3.670 4.320 -0.397 0.000 0.207 168 K C 2.444 178.784 176.600 -0.434 0.000 1.049 168 K CA 3.977 60.061 56.287 -0.339 0.000 0.933 168 K CB -0.325 32.091 32.500 -0.141 0.000 0.714 168 K HN -0.372 7.745 8.250 -0.223 0.000 0.438 169 K N -1.448 118.751 120.400 -0.335 0.000 2.063 169 K HA -0.392 3.786 4.320 -0.237 0.000 0.208 169 K C 2.622 178.978 176.600 -0.407 0.000 1.048 169 K CA 3.574 59.684 56.287 -0.296 0.000 0.928 169 K CB -0.189 32.200 32.500 -0.183 0.000 0.713 169 K HN -0.408 7.678 8.250 -0.274 0.000 0.442 170 Q N -1.435 117.995 119.800 -0.617 0.000 2.046 170 Q HA -0.252 3.830 4.340 -0.430 0.000 0.200 170 Q C 2.650 178.272 176.000 -0.631 0.000 0.975 170 Q CA 2.593 58.001 55.803 -0.658 0.000 0.836 170 Q CB -0.040 28.038 28.738 -1.101 0.000 0.896 170 Q HN -0.576 7.255 8.270 -0.732 0.000 0.428 171 L N -1.630 119.088 121.223 -0.842 0.000 2.083 171 L HA -0.452 3.545 4.340 -0.571 0.000 0.209 171 L C 1.974 178.421 176.870 -0.706 0.000 1.083 171 L CA 2.677 57.060 54.840 -0.761 0.000 0.752 171 L CB -0.403 41.123 42.059 -0.889 0.000 0.899 171 L HN -0.086 7.598 8.230 -0.911 0.000 0.433 172 A N -2.569 119.743 122.820 -0.846 0.000 1.972 172 A HA -0.273 3.800 4.320 -0.411 0.000 0.219 172 A C 0.844 178.318 177.584 -0.184 0.000 1.169 172 A CA 2.574 54.324 52.037 -0.479 0.000 0.635 172 A CB -0.317 18.494 19.000 -0.314 0.000 0.810 172 A HN -0.524 7.107 8.150 -0.866 0.000 0.446 173 A N -3.589 119.113 122.820 -0.196 0.000 2.348 173 A HA 0.105 4.386 4.320 -0.065 0.000 0.224 173 A C -0.069 177.484 177.584 -0.052 0.000 1.227 173 A CA -0.659 51.320 52.037 -0.098 0.000 0.885 173 A CB 0.243 19.184 19.000 -0.099 0.000 0.933 173 A HN -0.499 7.367 8.150 -0.269 0.123 0.506 174 A N -0.776 122.016 122.820 -0.047 0.000 2.454 174 A HA -0.030 4.327 4.320 0.061 0.000 0.260 174 A C 0.343 177.954 177.584 0.044 0.000 1.106 174 A CA 0.006 52.069 52.037 0.042 0.000 0.780 174 A CB 0.362 19.435 19.000 0.121 0.000 1.044 174 A HN -0.713 7.268 8.150 -0.104 0.107 0.498 175 R N 1.804 122.335 120.500 0.052 0.000 2.397 175 R HA 0.119 4.481 4.340 0.037 0.000 0.241 175 R C -0.609 175.729 176.300 0.064 0.000 0.914 175 R CA -0.511 55.617 56.100 0.045 0.000 1.071 175 R CB 0.282 30.600 30.300 0.030 0.000 1.116 175 R HN 0.300 8.603 8.270 0.056 0.000 0.524 176 E N -1.216 119.040 120.200 0.094 0.000 2.398 176 E HA -0.086 4.334 4.350 0.117 0.000 0.263 176 E C 0.566 177.207 176.600 0.068 0.000 1.046 176 E CA 0.392 56.856 56.400 0.107 0.000 0.908 176 E CB 0.129 29.906 29.700 0.129 0.000 0.963 176 E HN -0.616 7.754 8.360 0.103 0.053 0.431 177 D N 1.029 121.460 120.400 0.052 0.000 2.219 177 D HA -0.168 4.419 4.640 -0.088 0.000 0.205 177 D C -0.490 175.703 176.300 -0.178 0.000 0.970 177 D CA 3.000 56.961 54.000 -0.065 0.000 0.851 177 D CB 0.844 41.606 40.800 -0.063 0.000 0.943 177 D HN 0.185 8.603 8.370 0.079 0.000 0.488 178 Y N -4.935 115.391 120.300 0.043 0.000 2.442 178 Y HA 0.123 4.705 4.550 0.055 0.000 0.344 178 Y C -1.950 173.988 175.900 0.063 0.000 0.976 178 Y CA -0.872 57.259 58.100 0.051 0.000 1.040 178 Y CB 3.729 42.217 38.460 0.046 0.000 1.228 178 Y HN -0.775 7.647 8.280 0.237 0.000 0.451 179 V N 2.512 122.570 119.914 0.240 0.000 2.531 179 V HA 0.428 4.831 4.120 0.188 -0.170 0.301 179 V C -1.513 174.707 176.094 0.210 0.000 1.034 179 V CA -1.048 61.379 62.300 0.213 0.000 0.865 179 V CB 2.104 34.063 31.823 0.226 0.000 0.995 179 V HN 0.579 8.907 8.190 0.231 0.000 0.424 180 L N 5.757 127.091 121.223 0.184 0.000 2.354 180 L HA 0.795 5.388 4.340 0.178 -0.146 0.269 180 L C -1.332 175.664 176.870 0.210 0.000 1.005 180 L CA -1.670 53.272 54.840 0.171 0.000 0.819 180 L CB 3.167 45.302 42.059 0.126 0.000 1.311 180 L HN 0.640 8.957 8.230 0.146 0.000 0.423 181 V N 0.431 120.483 119.914 0.229 0.000 2.680 181 V HA 0.642 5.096 4.120 0.288 -0.161 0.309 181 V C -1.863 174.315 176.094 0.140 0.000 1.052 181 V CA -1.651 60.820 62.300 0.285 0.000 0.908 181 V CB 3.681 35.734 31.823 0.384 0.000 1.001 181 V HN 0.046 8.369 8.190 0.221 0.000 0.431 182 A N 3.905 126.767 122.820 0.071 0.000 2.414 182 A HA 1.077 5.363 4.320 -0.401 -0.207 0.306 182 A C -1.894 175.684 177.584 -0.009 0.000 1.054 182 A CA -2.240 49.715 52.037 -0.137 0.000 0.724 182 A CB 4.022 22.974 19.000 -0.080 0.000 1.267 182 A HN 0.761 8.998 8.150 0.145 0.000 0.418 183 G N 0.267 109.009 108.800 -0.096 0.000 2.623 183 G HA2 0.414 4.537 3.960 0.271 0.000 0.290 183 G HA3 0.414 4.440 3.960 0.109 0.000 0.290 183 G C -1.995 172.974 174.900 0.115 0.000 1.437 183 G CA 0.356 45.528 45.100 0.121 0.000 0.798 183 G HN -0.162 7.926 8.290 -0.337 0.000 0.488 184 H N 2.106 121.169 119.070 -0.012 0.000 2.307 184 H HA 0.149 4.921 4.556 0.065 -0.177 0.303 184 H C 0.823 176.214 175.328 0.105 0.000 1.073 184 H CA 1.687 57.726 56.048 -0.014 0.000 1.338 184 H CB 0.917 30.569 29.762 -0.184 0.000 1.389 184 H HN 0.111 8.462 8.280 0.118 0.000 0.503 185 Y N -0.829 119.463 120.300 -0.014 0.000 2.397 185 Y HA 0.019 4.385 4.550 -0.308 0.000 0.335 185 Y C -1.389 174.591 175.900 0.132 0.000 1.213 185 Y CA -2.666 55.361 58.100 -0.121 0.000 1.391 185 Y CB -1.416 36.952 38.460 -0.153 0.000 1.293 185 Y HN -0.760 7.444 8.280 -0.127 0.000 0.557 186 P HA 0.062 4.767 4.420 0.475 0.000 0.274 186 P C -0.304 177.057 177.300 0.101 0.000 1.231 186 P CA -1.164 62.120 63.100 0.306 0.000 0.790 186 P CB 1.051 32.890 31.700 0.232 0.000 0.951 187 V N 0.118 120.033 119.914 0.002 0.000 2.283 187 V HA -0.134 3.700 4.120 -0.476 0.000 0.239 187 V C 0.203 175.930 176.094 -0.611 0.000 1.035 187 V CA 2.832 64.865 62.300 -0.445 0.000 1.018 187 V CB 0.415 31.909 31.823 -0.548 0.000 0.658 187 V HN 0.164 8.481 8.190 0.211 0.000 0.459 188 W N -3.763 117.466 121.300 -0.119 0.000 2.627 188 W HA 0.094 4.706 4.660 -0.081 0.000 0.339 188 W C -1.670 174.854 176.519 0.008 0.000 1.058 188 W CA -0.890 56.391 57.345 -0.108 0.000 1.223 188 W CB 1.988 31.311 29.460 -0.229 0.000 1.389 188 W HN -0.445 7.619 8.180 -0.194 0.000 0.541 189 S N 0.018 115.892 115.700 0.289 0.000 2.578 189 S HA 0.168 4.931 4.470 0.210 -0.167 0.285 189 S C -0.248 174.448 174.600 0.160 0.000 1.126 189 S CA -0.600 57.723 58.200 0.206 0.000 0.878 189 S CB 2.082 65.395 63.200 0.189 0.000 1.091 189 S HN -0.078 8.423 8.310 0.318 0.000 0.450 190 I N -0.592 120.039 120.570 0.102 0.000 3.793 190 I HA 0.498 4.875 4.170 0.090 -0.153 0.315 190 I C -0.736 175.414 176.117 0.055 0.000 1.275 190 I CA -0.077 61.251 61.300 0.046 0.000 1.214 190 I CB 0.448 38.392 38.000 -0.093 0.000 1.018 190 I HN 0.083 8.607 8.210 0.091 -0.260 0.439 191 A N 0.282 123.166 122.820 0.105 0.000 3.369 191 A HA 0.287 4.781 4.320 0.040 -0.151 0.186 191 A C 0.884 178.578 177.584 0.182 0.000 1.849 191 A CA -0.869 51.227 52.037 0.098 0.000 0.881 191 A CB 1.454 20.523 19.000 0.115 0.000 1.850 191 A HN -0.656 7.509 8.150 0.126 0.062 0.656 192 E N -0.228 120.008 120.200 0.060 0.000 2.107 192 E HA -0.280 4.073 4.350 0.005 0.000 0.191 192 E C 0.316 176.901 176.600 -0.025 0.000 0.982 192 E CA 2.671 59.047 56.400 -0.039 0.000 0.809 192 E CB -0.549 29.030 29.700 -0.202 0.000 0.756 192 E HN 0.414 8.787 8.360 0.022 0.000 0.459 193 H N -1.870 117.222 119.070 0.037 0.000 2.431 193 H HA 0.060 4.614 4.556 -0.003 0.000 0.295 193 H C 1.056 176.192 175.328 -0.319 0.000 1.038 193 H CA 1.798 57.816 56.048 -0.050 0.000 1.360 193 H CB 1.911 31.634 29.762 -0.064 0.000 1.433 193 H HN -0.449 8.261 8.280 -0.021 -0.442 0.536 194 G N -0.067 108.666 108.800 -0.111 0.000 2.642 194 G HA2 -0.207 3.257 3.960 -0.828 0.000 0.231 194 G HA3 -0.207 3.909 3.960 -0.047 -0.184 0.231 194 G C -2.456 172.360 174.900 -0.139 0.000 1.338 194 G CA -0.762 44.166 45.100 -0.287 0.000 0.883 194 G HN -0.772 7.797 8.290 0.071 -0.236 0.570 195 P HA -0.020 4.511 4.420 -0.088 -0.163 0.266 195 P C -1.202 176.001 177.300 -0.161 0.000 1.195 195 P CA 0.337 63.379 63.100 -0.096 0.000 0.768 195 P CB 0.601 32.288 31.700 -0.023 0.000 0.838 196 T N 5.649 120.089 114.554 -0.191 0.000 2.762 196 T HA 0.149 4.574 4.350 -0.192 -0.190 0.303 196 T C 0.306 174.890 174.700 -0.193 0.000 0.977 196 T CA 0.054 62.038 62.100 -0.194 0.000 0.961 196 T CB 0.327 69.084 68.868 -0.185 0.000 0.944 196 T HN -0.223 7.889 8.240 -0.212 0.000 0.481 197 H N 8.851 127.789 119.070 -0.220 0.000 2.387 197 H HA -0.403 4.029 4.556 -0.206 0.000 0.299 197 H C 0.863 176.083 175.328 -0.179 0.000 1.099 197 H CA 4.968 60.900 56.048 -0.192 0.000 1.315 197 H CB 0.923 30.594 29.762 -0.151 0.000 1.380 197 H HN 0.055 8.597 8.280 -0.020 -0.274 0.513 198 c N -1.967 116.515 118.600 -0.198 0.000 2.413 198 c HA -0.256 4.173 4.570 -0.235 0.000 0.277 198 c C 2.012 175.963 174.090 -0.232 0.000 1.265 198 c CA 2.880 59.086 56.329 -0.205 0.000 1.752 198 c CB -1.460 40.989 42.510 -0.103 0.000 1.998 198 c HN 0.451 8.617 8.230 -0.107 0.000 0.489 199 L N -0.884 120.199 121.223 -0.233 0.000 2.209 199 L HA -0.198 4.013 4.340 -0.216 0.000 0.207 199 L C 2.134 178.794 176.870 -0.350 0.000 1.094 199 L CA 2.301 56.986 54.840 -0.259 0.000 0.790 199 L CB -0.251 41.662 42.059 -0.244 0.000 0.932 199 L HN -0.642 7.365 8.230 -0.219 0.092 0.447 200 V N 0.293 119.944 119.914 -0.439 0.000 2.407 200 V HA -0.539 3.253 4.120 -0.548 0.000 0.248 200 V C 2.086 177.980 176.094 -0.333 0.000 1.055 200 V CA 4.773 66.780 62.300 -0.488 0.000 1.049 200 V CB -0.414 31.071 31.823 -0.563 0.000 0.662 200 V HN -0.164 7.766 8.190 -0.433 0.000 0.455 201 K N -2.088 118.083 120.400 -0.382 0.000 2.031 201 K HA -0.285 3.893 4.320 -0.236 0.000 0.205 201 K C 1.453 177.940 176.600 -0.187 0.000 1.049 201 K CA 2.575 58.685 56.287 -0.295 0.000 0.939 201 K CB 0.219 32.477 32.500 -0.404 0.000 0.717 201 K HN -0.443 7.524 8.250 -0.472 0.000 0.438 202 Q N -4.676 115.012 119.800 -0.187 0.000 2.394 202 Q HA -0.038 4.241 4.340 -0.102 0.000 0.218 202 Q C 1.348 177.283 176.000 -0.109 0.000 0.907 202 Q CA 1.500 57.228 55.803 -0.125 0.000 0.919 202 Q CB 1.405 30.076 28.738 -0.111 0.000 1.051 202 Q HN -0.550 7.588 8.270 -0.221 0.000 0.538 203 L N -0.860 120.276 121.223 -0.144 0.000 2.286 203 L HA 0.061 4.343 4.340 -0.097 0.000 0.203 203 L C 0.989 177.793 176.870 -0.110 0.000 1.068 203 L CA 1.244 56.004 54.840 -0.134 0.000 0.811 203 L CB 0.693 42.629 42.059 -0.204 0.000 0.989 203 L HN -0.457 7.664 8.230 -0.180 0.000 0.467 204 R N -0.095 120.325 120.500 -0.134 0.000 2.103 204 R HA -0.326 4.005 4.340 -0.015 0.000 0.242 204 R C -0.898 175.409 176.300 0.012 0.000 1.142 204 R CA 5.628 61.699 56.100 -0.048 0.000 0.960 204 R CB -2.016 28.244 30.300 -0.067 0.000 0.858 204 R HN -0.382 7.777 8.270 -0.184 0.000 0.439 205 P HA -0.194 4.233 4.420 0.010 0.000 0.216 205 P C 1.358 178.654 177.300 -0.005 0.000 1.150 205 P CA 2.844 65.942 63.100 -0.004 0.000 0.837 205 P CB -0.539 31.148 31.700 -0.022 0.000 0.786 206 L N -4.794 116.440 121.223 0.018 0.000 2.201 206 L HA -0.287 4.106 4.340 0.090 0.000 0.212 206 L C 1.923 178.862 176.870 0.115 0.000 1.105 206 L CA 2.348 57.246 54.840 0.097 0.000 0.775 206 L CB -0.524 41.611 42.059 0.126 0.000 0.913 206 L HN -0.679 7.555 8.230 0.006 0.000 0.440 207 L N -1.844 119.420 121.223 0.068 0.000 2.017 207 L HA -0.443 3.954 4.340 0.095 0.000 0.208 207 L C 1.749 178.657 176.870 0.063 0.000 1.073 207 L CA 2.991 57.877 54.840 0.077 0.000 0.745 207 L CB -0.866 41.235 42.059 0.069 0.000 0.894 207 L HN -0.747 7.511 8.230 0.047 0.000 0.432 208 A N -1.838 121.007 122.820 0.041 0.000 1.872 208 A HA -0.248 4.087 4.320 0.026 0.000 0.214 208 A C 2.556 180.106 177.584 -0.057 0.000 1.187 208 A CA 2.624 54.669 52.037 0.012 0.000 0.614 208 A CB -0.781 18.233 19.000 0.023 0.000 0.826 208 A HN -0.424 7.754 8.150 0.047 0.000 0.442 209 T N 1.511 115.977 114.554 -0.148 0.000 2.699 209 T HA -0.327 3.843 4.350 -0.301 0.000 0.268 209 T C 1.187 175.620 174.700 -0.446 0.000 1.036 209 T CA 4.249 66.120 62.100 -0.382 0.000 1.147 209 T CB 0.129 68.608 68.868 -0.648 0.000 0.862 209 T HN -0.439 7.729 8.240 -0.120 0.000 0.446 210 Y N -2.509 117.780 120.300 -0.019 0.000 2.584 210 Y HA 0.163 4.698 4.550 -0.024 0.000 0.254 210 Y C -0.409 175.488 175.900 -0.005 0.000 1.177 210 Y CA -0.839 57.247 58.100 -0.024 0.000 1.216 210 Y CB -0.140 38.289 38.460 -0.052 0.000 1.172 210 Y HN -0.657 7.598 8.280 -0.007 0.021 0.529 211 G N -0.598 108.262 108.800 0.099 0.000 2.298 211 G HA2 -0.472 3.526 3.960 0.063 0.000 0.287 211 G HA3 -0.472 3.518 3.960 0.051 0.000 0.287 211 G C -0.321 174.636 174.900 0.093 0.000 1.075 211 G CA 0.338 45.482 45.100 0.073 0.000 0.960 211 G HN -0.730 7.596 8.290 0.059 0.000 0.502 212 V N -1.486 118.492 119.914 0.106 0.000 2.555 212 V HA -0.142 4.165 4.120 0.141 -0.102 0.286 212 V C 0.320 176.473 176.094 0.098 0.000 1.044 212 V CA 0.828 63.199 62.300 0.120 0.000 1.026 212 V CB 0.584 32.481 31.823 0.123 0.000 0.981 212 V HN -0.692 7.560 8.190 0.104 0.000 0.480 213 T N 8.086 122.718 114.554 0.130 0.000 2.737 213 T HA -0.218 4.201 4.350 0.116 0.000 0.265 213 T C -0.493 174.260 174.700 0.088 0.000 1.038 213 T CA 4.103 66.284 62.100 0.134 0.000 1.144 213 T CB 0.478 69.484 68.868 0.230 0.000 0.866 213 T HN 0.223 8.558 8.240 0.159 0.000 0.434 214 A N -3.995 118.879 122.820 0.090 0.000 2.606 214 A HA 0.501 4.951 4.320 -0.062 -0.167 0.293 214 A C -3.108 174.534 177.584 0.096 0.000 1.082 214 A CA -0.805 51.257 52.037 0.042 0.000 0.685 214 A CB 2.772 21.835 19.000 0.105 0.000 1.284 214 A HN -0.895 7.328 8.150 0.122 0.000 0.408 215 Y N 1.462 121.698 120.300 -0.105 0.000 2.335 215 Y HA 0.868 5.689 4.550 0.065 -0.231 0.338 215 Y C -2.335 173.640 175.900 0.126 0.000 0.977 215 Y CA -2.249 55.866 58.100 0.024 0.000 1.114 215 Y CB 2.695 41.180 38.460 0.042 0.000 1.182 215 Y HN 0.046 8.293 8.280 -0.054 0.000 0.463 216 L N 7.176 128.136 121.223 -0.437 0.000 2.325 216 L HA 0.854 5.363 4.340 -0.052 -0.201 0.278 216 L C -1.219 175.379 176.870 -0.454 0.000 1.023 216 L CA -1.338 53.355 54.840 -0.244 0.000 0.811 216 L CB 2.459 44.495 42.059 -0.038 0.000 1.249 216 L HN 0.200 8.127 8.230 -0.504 0.000 0.431 217 C N -2.528 116.708 119.300 -0.106 0.000 3.320 217 C HA 1.063 5.700 4.460 -0.036 -0.198 0.335 217 C C -1.081 174.013 174.990 0.173 0.000 1.430 217 C CA -2.294 56.726 59.018 0.002 0.000 1.271 217 C CB 3.947 31.743 27.740 0.093 0.000 1.609 217 C HN 0.383 8.638 8.230 0.041 0.000 0.457 218 G N -0.872 108.041 108.800 0.189 0.000 3.267 218 G HA2 0.460 4.754 3.960 0.331 0.000 0.200 218 G HA3 0.460 4.603 3.960 0.305 0.000 0.200 218 G C -0.817 174.202 174.900 0.198 0.000 1.603 218 G CA -0.188 45.070 45.100 0.263 0.000 0.753 218 G HN -0.285 8.090 8.290 0.141 0.000 0.755 219 H N -0.064 118.996 119.070 -0.017 0.000 4.923 219 H HA -0.432 4.239 4.556 0.007 -0.110 0.073 219 H C -1.295 174.086 175.328 0.089 0.000 0.574 219 H CA 2.723 58.701 56.048 -0.116 0.000 1.046 219 H CB -0.412 29.116 29.762 -0.390 0.000 0.465 219 H HN -0.005 8.858 8.280 0.317 -0.392 0.757 220 D N 0.018 120.483 120.400 0.108 0.000 2.312 220 D HA 0.107 4.897 4.640 -0.048 -0.179 0.252 220 D C 0.228 176.665 176.300 0.228 0.000 1.150 220 D CA 0.329 54.379 54.000 0.084 0.000 0.870 220 D CB 0.339 41.238 40.800 0.165 0.000 1.153 220 D HN -0.463 7.981 8.370 0.203 0.049 0.457 221 H N 5.196 124.405 119.070 0.231 0.000 2.799 221 H HA 0.223 5.150 4.556 0.312 -0.184 0.225 221 H C -0.916 174.543 175.328 0.218 0.000 1.904 221 H CA -0.660 55.546 56.048 0.264 0.000 1.344 221 H CB -1.330 28.596 29.762 0.275 0.000 1.744 221 H HN -0.139 8.437 8.280 0.055 -0.263 0.542 222 N N -2.930 115.970 118.700 0.333 0.000 3.387 222 N HA 0.412 5.275 4.740 0.205 0.000 0.294 222 N C -2.429 173.240 175.510 0.264 0.000 1.519 222 N CA -0.512 52.674 53.050 0.226 0.000 0.875 222 N CB 2.537 41.105 38.487 0.135 0.000 1.657 222 N HN -0.419 8.128 8.380 0.360 0.049 0.527 223 L N -1.536 119.801 121.223 0.190 0.000 2.341 223 L HA 0.664 5.432 4.340 0.405 -0.185 0.278 223 L C -1.170 175.742 176.870 0.070 0.000 1.005 223 L CA -0.873 54.134 54.840 0.279 0.000 0.818 223 L CB 2.050 44.355 42.059 0.410 0.000 1.259 223 L HN -0.267 8.006 8.230 0.073 0.000 0.418 224 Q N -0.288 119.645 119.800 0.221 0.000 2.379 224 Q HA 0.737 5.242 4.340 -0.070 -0.208 0.278 224 Q C -1.895 174.307 176.000 0.338 0.000 1.068 224 Q CA -1.606 54.283 55.803 0.143 0.000 0.816 224 Q CB 5.246 34.109 28.738 0.208 0.000 1.387 224 Q HN 0.089 8.599 8.270 0.400 0.000 0.413 225 Y N 3.731 124.120 120.300 0.148 0.000 2.350 225 Y HA 0.774 5.769 4.550 0.439 -0.181 0.338 225 Y C -2.546 173.501 175.900 0.244 0.000 0.961 225 Y CA -1.772 56.508 58.100 0.300 0.000 1.100 225 Y CB 3.128 41.799 38.460 0.351 0.000 1.179 225 Y HN 0.412 8.716 8.280 0.217 0.105 0.454 226 L N 5.613 126.581 121.223 -0.425 0.000 2.350 226 L HA 0.743 5.132 4.340 -0.202 -0.170 0.260 226 L C -1.997 174.625 176.870 -0.413 0.000 1.015 226 L CA -1.194 53.477 54.840 -0.282 0.000 0.821 226 L CB 4.481 46.531 42.059 -0.014 0.000 1.370 226 L HN 0.492 8.480 8.230 -0.403 0.000 0.416 227 Q N -0.402 119.263 119.800 -0.224 0.000 2.289 227 Q HA 0.719 5.263 4.340 -0.019 -0.216 0.270 227 Q C -1.596 174.184 176.000 -0.367 0.000 1.038 227 Q CA -1.443 54.283 55.803 -0.127 0.000 0.812 227 Q CB 4.479 33.229 28.738 0.020 0.000 1.300 227 Q HN 0.091 8.247 8.270 -0.190 0.000 0.427 228 D N 5.165 125.342 120.400 -0.371 0.000 2.506 228 D HA 0.157 3.830 4.640 -1.612 0.000 0.272 228 D C 0.877 177.048 176.300 -0.213 0.000 1.214 228 D CA -1.980 51.565 54.000 -0.757 0.000 1.067 228 D CB 1.252 41.737 40.800 -0.525 0.000 1.117 228 D HN -0.209 8.117 8.370 -0.073 0.000 0.578 229 E N -1.163 119.005 120.200 -0.053 0.000 2.204 229 E HA -0.244 4.134 4.350 0.047 0.000 0.194 229 E C 0.324 176.949 176.600 0.041 0.000 0.989 229 E CA 2.610 59.039 56.400 0.049 0.000 0.824 229 E CB -0.772 28.991 29.700 0.105 0.000 0.756 229 E HN 0.364 8.716 8.360 -0.013 0.000 0.477 230 N N -1.914 116.812 118.700 0.042 0.000 2.461 230 N HA -0.024 4.740 4.740 0.040 0.000 0.188 230 N C 0.167 175.701 175.510 0.039 0.000 1.134 230 N CA -0.003 53.073 53.050 0.044 0.000 0.878 230 N CB -0.053 38.467 38.487 0.054 0.000 0.972 230 N HN -0.664 7.851 8.380 0.046 -0.106 0.456 231 G N -1.158 107.663 108.800 0.035 0.000 2.136 231 G HA2 -0.435 3.556 3.960 0.052 0.000 0.242 231 G HA3 -0.435 3.559 3.960 0.056 0.000 0.242 231 G C -0.950 173.978 174.900 0.048 0.000 0.989 231 G CA 0.408 45.536 45.100 0.048 0.000 0.682 231 G HN -0.514 7.725 8.290 0.023 0.065 0.522 232 V N 1.176 121.103 119.914 0.021 0.000 2.461 232 V HA 0.023 4.258 4.120 -0.034 -0.135 0.275 232 V C 0.015 176.020 176.094 -0.148 0.000 1.047 232 V CA 0.545 62.809 62.300 -0.060 0.000 0.955 232 V CB -0.003 31.764 31.823 -0.094 0.000 0.988 232 V HN -0.889 7.564 8.190 0.032 -0.243 0.471 233 G N 5.614 114.339 108.800 -0.126 0.000 2.420 233 G HA2 0.519 4.594 3.960 0.192 0.000 0.284 233 G HA3 0.519 4.581 3.960 -0.075 -0.147 0.284 233 G C -2.335 172.347 174.900 -0.363 0.000 1.177 233 G CA -1.175 43.883 45.100 -0.071 0.000 0.841 233 G HN -0.088 8.172 8.290 -0.050 0.000 0.527 234 Y N 0.472 120.783 120.300 0.019 0.000 2.363 234 Y HA 0.481 5.391 4.550 0.283 -0.189 0.325 234 Y C -0.943 175.097 175.900 0.233 0.000 0.984 234 Y CA -1.462 56.745 58.100 0.179 0.000 1.248 234 Y CB 2.089 40.675 38.460 0.210 0.000 1.116 234 Y HN 0.589 8.791 8.280 -0.129 0.000 0.470 235 V N 5.167 125.335 119.914 0.423 0.000 2.333 235 V HA 0.319 4.872 4.120 0.723 0.000 0.274 235 V C -1.727 174.614 176.094 0.411 0.000 1.028 235 V CA -0.672 61.928 62.300 0.501 0.000 0.851 235 V CB 0.788 32.803 31.823 0.321 0.000 1.000 235 V HN 0.289 8.678 8.190 0.332 0.000 0.456 236 L N 8.970 130.489 121.223 0.493 0.000 2.287 236 L HA 0.572 5.298 4.340 0.343 -0.180 0.287 236 L C -2.081 175.063 176.870 0.457 0.000 1.022 236 L CA -1.431 53.655 54.840 0.410 0.000 0.814 236 L CB 2.447 44.732 42.059 0.376 0.000 1.217 236 L HN 0.138 8.721 8.230 0.589 0.000 0.420 237 S N 7.130 123.057 115.700 0.379 0.000 2.389 237 S HA 0.466 5.196 4.470 0.434 0.000 0.201 237 S C -1.567 173.265 174.600 0.387 0.000 1.422 237 S CA -0.022 58.411 58.200 0.389 0.000 1.216 237 S CB 0.536 63.928 63.200 0.320 0.000 1.130 237 S HN 0.641 9.150 8.310 0.331 0.000 0.465 238 G N 2.265 111.313 108.800 0.413 0.000 4.432 238 G HA2 0.391 4.831 3.960 0.506 0.000 0.294 238 G HA3 0.391 4.723 3.960 0.479 -0.085 0.294 238 G C -1.994 173.191 174.900 0.475 0.000 1.141 238 G CA -0.380 45.004 45.100 0.474 0.000 0.895 238 G HN -0.015 8.519 8.290 0.406 0.000 0.548 239 A N 0.593 123.657 122.820 0.407 0.000 2.637 239 A HA 0.731 5.421 4.320 0.327 -0.174 0.293 239 A C 0.112 177.888 177.584 0.320 0.000 1.216 239 A CA -1.750 50.494 52.037 0.345 0.000 0.956 239 A CB 0.018 19.216 19.000 0.329 0.000 1.174 239 A HN -0.153 8.243 8.150 0.410 0.000 0.525 240 G N -1.225 107.791 108.800 0.360 0.000 2.744 240 G HA2 -0.294 3.961 3.960 0.492 0.000 0.211 240 G HA3 -0.294 3.895 3.960 0.382 0.000 0.211 240 G C -0.934 174.113 174.900 0.246 0.000 1.143 240 G CA 1.689 47.018 45.100 0.381 0.000 0.788 240 G HN -0.087 8.440 8.290 0.395 0.000 0.534 241 N N -2.977 115.761 118.700 0.064 0.000 2.072 241 N HA 0.150 4.790 4.740 -0.168 0.000 0.246 241 N C -1.736 173.455 175.510 -0.532 0.000 1.215 241 N CA 0.197 53.087 53.050 -0.267 0.000 0.799 241 N CB 1.880 40.087 38.487 -0.465 0.000 1.407 241 N HN -0.511 7.860 8.380 0.082 0.058 0.489 242 F N -2.232 117.671 119.950 -0.079 0.000 2.593 242 F HA 0.253 4.753 4.527 -0.045 0.000 0.320 242 F C -1.685 174.141 175.800 0.043 0.000 1.060 242 F CA -1.406 56.546 58.000 -0.081 0.000 0.940 242 F CB 3.317 42.174 39.000 -0.239 0.000 1.268 242 F HN -0.551 7.699 8.300 -0.084 0.000 0.475 243 M N 0.792 120.561 119.600 0.282 0.000 2.259 243 M HA 0.454 5.232 4.480 0.230 -0.160 0.304 243 M C -2.034 174.366 176.300 0.168 0.000 1.019 243 M CA -1.502 53.920 55.300 0.202 0.000 0.922 243 M CB 2.944 35.612 32.600 0.114 0.000 1.600 243 M HN 0.109 8.567 8.290 0.280 0.000 0.433 244 D N 4.142 124.641 120.400 0.165 0.000 2.492 244 D HA 0.494 5.183 4.640 0.080 0.000 0.248 244 D C -1.203 175.141 176.300 0.073 0.000 1.101 244 D CA -3.360 50.704 54.000 0.106 0.000 0.840 244 D CB 3.738 44.603 40.800 0.109 0.000 1.209 244 D HN 0.340 8.827 8.370 0.194 0.000 0.524 245 P HA 0.060 4.584 4.420 0.043 -0.077 0.249 245 P C -0.231 177.105 177.300 0.060 0.000 1.229 245 P CA -0.166 62.958 63.100 0.039 0.000 0.788 245 P CB 0.385 32.082 31.700 -0.005 0.000 1.072 246 S N 1.803 117.523 115.700 0.033 0.000 2.593 246 S HA -0.175 4.279 4.470 -0.026 0.000 0.300 246 S C 0.190 174.774 174.600 -0.026 0.000 1.267 246 S CA 1.294 59.490 58.200 -0.007 0.000 1.065 246 S CB 0.413 63.598 63.200 -0.024 0.000 0.807 246 S HN -0.373 8.207 8.310 0.031 -0.252 0.499 247 K N 7.185 127.536 120.400 -0.081 0.000 2.896 247 K HA 0.207 4.540 4.320 -0.179 -0.120 0.210 247 K C 1.009 177.536 176.600 -0.122 0.000 1.116 247 K CA -0.716 55.484 56.287 -0.146 0.000 1.050 247 K CB -0.251 32.136 32.500 -0.189 0.000 0.812 247 K HN 0.448 8.652 8.250 -0.076 0.000 0.462 248 R N 0.921 121.348 120.500 -0.122 0.000 2.096 248 R HA -0.301 3.916 4.340 -0.205 0.000 0.235 248 R C 0.958 177.055 176.300 -0.338 0.000 1.127 248 R CA 2.949 58.909 56.100 -0.233 0.000 0.968 248 R CB 0.096 30.224 30.300 -0.288 0.000 0.861 248 R HN -0.631 7.524 8.270 -0.090 0.060 0.440 249 H N -3.020 116.022 119.070 -0.047 0.000 2.507 249 H HA 0.268 4.810 4.556 -0.023 0.000 0.294 249 H C 0.872 176.178 175.328 -0.038 0.000 1.064 249 H CA -0.386 55.647 56.048 -0.025 0.000 1.138 249 H CB -0.152 29.616 29.762 0.010 0.000 1.515 249 H HN -0.533 7.757 8.280 0.017 0.000 0.547 250 Q N 1.986 121.777 119.800 -0.016 0.000 2.112 250 Q HA -0.452 3.855 4.340 -0.056 0.000 0.206 250 Q C 1.472 177.444 176.000 -0.046 0.000 0.987 250 Q CA 4.278 60.049 55.803 -0.054 0.000 0.858 250 Q CB -0.135 28.544 28.738 -0.098 0.000 0.905 250 Q HN -0.513 7.652 8.270 -0.060 0.069 0.420 251 R N -5.358 115.118 120.500 -0.039 0.000 2.275 251 R HA -0.136 4.165 4.340 -0.066 0.000 0.199 251 R C 0.786 177.070 176.300 -0.026 0.000 0.989 251 R CA 1.175 57.247 56.100 -0.046 0.000 1.016 251 R CB -0.363 29.908 30.300 -0.049 0.000 0.918 251 R HN 0.230 8.462 8.270 -0.042 0.014 0.473 252 K N -1.914 118.507 120.400 0.036 0.000 2.487 252 K HA -0.052 4.299 4.320 0.052 0.000 0.192 252 K C -0.401 176.233 176.600 0.057 0.000 1.027 252 K CA -0.255 56.079 56.287 0.078 0.000 1.054 252 K CB -0.258 32.348 32.500 0.177 0.000 0.824 252 K HN -0.545 7.605 8.250 0.065 0.140 0.510 253 V N 2.192 122.075 119.914 -0.052 0.000 2.435 253 V HA 0.217 4.163 4.120 -0.290 0.000 0.290 253 V C -2.200 173.602 176.094 -0.486 0.000 1.030 253 V CA -3.344 58.803 62.300 -0.254 0.000 0.881 253 V CB 0.319 32.051 31.823 -0.151 0.000 0.983 253 V HN -0.762 7.338 8.190 -0.053 0.058 0.445 254 P HA -0.058 4.016 4.420 -0.576 0.000 0.266 254 P C -1.207 175.667 177.300 -0.710 0.000 1.193 254 P CA -0.088 62.479 63.100 -0.887 0.000 0.770 254 P CB 0.906 31.730 31.700 -1.461 0.000 0.836 255 N N 1.687 120.143 118.700 -0.406 0.000 2.454 255 N HA -0.235 4.389 4.740 -0.193 0.000 0.254 255 N C 1.444 176.865 175.510 -0.148 0.000 1.228 255 N CA 1.506 54.422 53.050 -0.224 0.000 0.900 255 N CB 0.472 38.876 38.487 -0.138 0.000 1.089 255 N HN 0.088 8.257 8.380 -0.352 0.000 0.449 256 G N 3.826 112.604 108.800 -0.038 0.000 2.268 256 G HA2 -0.290 3.726 3.960 0.093 0.000 0.240 256 G HA3 -0.290 3.703 3.960 0.055 0.000 0.240 256 G C 0.470 175.471 174.900 0.168 0.000 1.010 256 G CA 0.517 45.659 45.100 0.070 0.000 0.618 256 G HN 0.406 8.669 8.290 -0.045 0.000 0.516 257 Y N 0.694 120.904 120.300 -0.151 0.000 2.163 257 Y HA -0.044 4.631 4.550 -0.142 -0.210 0.288 257 Y C 1.268 177.101 175.900 -0.112 0.000 1.136 257 Y CA 0.542 58.531 58.100 -0.185 0.000 1.147 257 Y CB 0.151 38.371 38.460 -0.400 0.000 0.987 257 Y HN -0.750 7.522 8.280 0.100 0.068 0.509 258 L N -2.468 118.793 121.223 0.063 0.000 2.456 258 L HA -0.165 4.192 4.340 0.028 0.000 0.277 258 L C 0.178 177.081 176.870 0.056 0.000 1.124 258 L CA 0.570 55.428 54.840 0.030 0.000 0.880 258 L CB -0.222 41.830 42.059 -0.012 0.000 1.192 258 L HN -0.188 8.066 8.230 0.040 0.000 0.463 259 R N 4.963 125.519 120.500 0.093 0.000 2.225 259 R HA 0.144 4.562 4.340 0.129 0.000 0.194 259 R C -0.604 175.678 176.300 -0.030 0.000 0.957 259 R CA -0.181 55.999 56.100 0.133 0.000 1.042 259 R CB 1.351 31.876 30.300 0.375 0.000 1.004 259 R HN 0.276 8.602 8.270 0.094 0.000 0.509 260 F N -1.304 118.465 119.950 -0.302 0.000 2.635 260 F HA 0.199 4.476 4.527 -0.417 0.000 0.314 260 F C -2.697 172.986 175.800 -0.194 0.000 1.119 260 F CA -0.543 57.155 58.000 -0.504 0.000 1.000 260 F CB 2.982 41.158 39.000 -1.374 0.000 1.278 260 F HN -0.528 7.786 8.300 0.022 0.000 0.446 261 H N 8.563 126.925 119.070 -1.179 0.000 2.954 261 H HA 0.663 4.931 4.556 -0.818 -0.203 0.361 261 H C -2.344 172.452 175.328 -0.887 0.000 1.122 261 H CA -0.958 54.562 56.048 -0.879 0.000 1.217 261 H CB 3.183 32.725 29.762 -0.367 0.000 1.776 261 H HN 0.222 7.914 8.280 -0.980 0.000 0.533 262 Y N 6.782 126.251 120.300 -1.386 0.000 2.332 262 Y HA 0.156 4.284 4.550 -0.703 0.000 0.325 262 Y C -2.031 173.434 175.900 -0.725 0.000 1.054 262 Y CA -0.187 57.397 58.100 -0.859 0.000 1.119 262 Y CB 2.629 40.832 38.460 -0.429 0.000 1.168 262 Y HN 0.293 7.918 8.280 -1.092 0.000 0.439 263 G N 4.113 112.334 108.800 -0.965 0.000 3.430 263 G HA2 -0.037 3.700 3.960 -0.371 0.000 0.222 263 G HA3 -0.037 3.698 3.960 -0.374 0.000 0.222 263 G C -1.463 173.199 174.900 -0.396 0.000 1.102 263 G CA 0.383 45.169 45.100 -0.524 0.000 0.927 263 G HN 0.295 8.010 8.290 -0.959 0.000 0.597 264 T N 2.143 116.367 114.554 -0.550 0.000 2.830 264 T HA -0.199 4.029 4.350 -0.202 0.000 0.282 264 T C 1.294 175.884 174.700 -0.183 0.000 1.024 264 T CA 1.009 62.919 62.100 -0.318 0.000 1.144 264 T CB 0.875 69.545 68.868 -0.329 0.000 1.035 264 T HN -0.545 7.238 8.240 -0.762 0.000 0.507 265 E N 5.926 126.080 120.200 -0.078 0.000 2.511 265 E HA -0.169 4.180 4.350 -0.002 0.000 0.196 265 E C 0.835 177.440 176.600 0.009 0.000 1.066 265 E CA 1.239 57.631 56.400 -0.014 0.000 0.871 265 E CB -0.083 29.623 29.700 0.010 0.000 0.863 265 E HN 0.505 8.825 8.360 -0.067 0.000 0.520 266 D N 0.255 120.653 120.400 -0.003 0.000 2.149 266 D HA -0.125 4.534 4.640 0.030 0.000 0.201 266 D C 0.466 176.797 176.300 0.052 0.000 0.972 266 D CA 1.821 55.836 54.000 0.025 0.000 0.835 266 D CB -0.017 40.798 40.800 0.025 0.000 0.966 266 D HN -0.565 7.744 8.370 -0.026 0.046 0.476 267 S N 0.225 115.960 115.700 0.059 0.000 2.559 267 S HA -0.144 4.416 4.470 0.149 0.000 0.282 267 S C 0.936 175.608 174.600 0.120 0.000 1.336 267 S CA 0.593 58.872 58.200 0.131 0.000 1.037 267 S CB 0.868 64.200 63.200 0.220 0.000 0.853 267 S HN -0.544 7.776 8.310 0.016 0.000 0.523 268 L N 3.225 124.527 121.223 0.132 0.000 2.612 268 L HA -0.059 4.340 4.340 0.099 0.000 0.230 268 L C -0.026 176.933 176.870 0.149 0.000 1.140 268 L CA -0.226 54.684 54.840 0.117 0.000 0.896 268 L CB -0.587 41.531 42.059 0.098 0.000 1.065 268 L HN 0.354 8.668 8.230 0.140 0.000 0.447 269 G N -3.468 105.447 108.800 0.192 0.000 2.472 269 G HA2 -0.285 3.965 3.960 0.222 0.000 0.205 269 G HA3 -0.285 3.823 3.960 0.247 0.000 0.205 269 G C -1.844 173.202 174.900 0.244 0.000 1.270 269 G CA -0.725 44.514 45.100 0.231 0.000 0.974 269 G HN -0.451 7.896 8.290 0.208 0.068 0.542 270 G N -2.101 106.868 108.800 0.282 0.000 2.320 270 G HA2 0.728 4.815 3.960 0.112 0.000 0.296 270 G HA3 0.728 4.908 3.960 0.177 -0.115 0.296 270 G C -3.142 171.965 174.900 0.345 0.000 1.306 270 G CA 0.319 45.544 45.100 0.207 0.000 0.836 270 G HN -0.541 7.939 8.290 0.316 0.000 0.517 271 F N -6.282 113.786 119.950 0.197 0.000 2.831 271 F HA 0.936 5.584 4.527 0.201 0.000 0.318 271 F C -2.808 173.045 175.800 0.088 0.000 1.174 271 F CA -2.174 55.923 58.000 0.161 0.000 0.918 271 F CB 2.340 41.409 39.000 0.115 0.000 1.364 271 F HN -0.042 7.945 8.300 -0.522 0.000 0.475 272 A N -3.089 119.845 122.820 0.190 0.000 2.350 272 A HA 0.723 5.033 4.320 -0.301 -0.170 0.324 272 A C -2.780 174.833 177.584 0.049 0.000 1.118 272 A CA -2.162 49.793 52.037 -0.136 0.000 0.783 272 A CB 3.278 22.035 19.000 -0.404 0.000 1.236 272 A HN 0.130 8.477 8.150 0.329 0.000 0.457 273 Y N 4.239 124.411 120.300 -0.213 0.000 2.335 273 Y HA 0.614 5.164 4.550 -0.245 -0.147 0.338 273 Y C -2.403 173.233 175.900 -0.441 0.000 0.977 273 Y CA -1.862 56.089 58.100 -0.248 0.000 1.114 273 Y CB 3.335 41.718 38.460 -0.128 0.000 1.182 273 Y HN 0.589 8.822 8.280 -0.079 0.000 0.463 274 V N 8.132 127.375 119.914 -1.119 0.000 2.495 274 V HA 0.631 4.498 4.120 -0.760 -0.202 0.298 274 V C -1.394 174.032 176.094 -1.114 0.000 1.031 274 V CA -1.742 59.898 62.300 -1.100 0.000 0.871 274 V CB 2.686 33.581 31.823 -1.546 0.000 0.988 274 V HN 0.719 8.092 8.190 -1.362 0.000 0.432 275 E N 6.361 126.151 120.200 -0.683 0.000 2.199 275 E HA 0.702 4.905 4.350 -0.524 -0.167 0.265 275 E C -1.193 175.186 176.600 -0.369 0.000 0.882 275 E CA -1.391 54.720 56.400 -0.481 0.000 0.759 275 E CB 3.239 32.764 29.700 -0.292 0.000 1.148 275 E HN 0.325 8.357 8.360 -0.548 0.000 0.412 276 I N 5.410 125.782 120.570 -0.330 0.000 2.382 276 I HA 0.432 4.504 4.170 -0.387 -0.134 0.286 276 I C -1.588 174.392 176.117 -0.229 0.000 1.002 276 I CA -1.183 59.903 61.300 -0.356 0.000 1.135 276 I CB 1.291 39.015 38.000 -0.459 0.000 1.288 276 I HN 0.782 8.806 8.210 -0.310 0.000 0.448 277 S N 6.452 122.063 115.700 -0.149 0.000 2.766 277 S HA 0.572 5.022 4.470 -0.034 0.000 0.307 277 S C 1.161 175.811 174.600 0.083 0.000 1.121 277 S CA -2.084 56.097 58.200 -0.033 0.000 0.980 277 S CB 2.212 65.400 63.200 -0.020 0.000 1.159 277 S HN -0.012 8.207 8.310 -0.152 0.000 0.546 278 S N -2.755 113.002 115.700 0.095 0.000 2.442 278 S HA -0.262 4.323 4.470 0.191 0.000 0.236 278 S C 1.742 176.426 174.600 0.140 0.000 1.007 278 S CA 3.198 61.479 58.200 0.134 0.000 0.965 278 S CB -0.845 62.397 63.200 0.070 0.000 0.773 278 S HN 0.601 8.946 8.310 0.058 0.000 0.504 279 K N 0.009 120.476 120.400 0.113 0.000 2.202 279 K HA 0.175 4.537 4.320 0.069 0.000 0.201 279 K C -0.301 176.380 176.600 0.136 0.000 1.051 279 K CA 1.028 57.369 56.287 0.089 0.000 0.977 279 K CB 1.385 33.912 32.500 0.044 0.000 0.792 279 K HN -0.610 7.654 8.250 0.088 0.039 0.469 280 E N -5.655 114.642 120.200 0.161 0.000 2.409 280 E HA 0.358 4.945 4.350 0.236 -0.095 0.280 280 E C -2.864 173.754 176.600 0.030 0.000 1.079 280 E CA -0.946 55.541 56.400 0.145 0.000 0.840 280 E CB 3.188 32.919 29.700 0.052 0.000 1.309 280 E HN -0.620 7.820 8.360 0.133 0.000 0.447 281 M N 1.830 121.430 119.600 0.001 0.000 2.205 281 M HA 0.699 5.211 4.480 -0.243 -0.178 0.344 281 M C -1.630 174.589 176.300 -0.134 0.000 1.085 281 M CA -0.918 54.292 55.300 -0.149 0.000 1.001 281 M CB 3.241 35.756 32.600 -0.141 0.000 1.626 281 M HN 0.344 8.683 8.290 0.082 0.000 0.442 282 T N 9.423 123.858 114.554 -0.197 0.000 2.859 282 T HA 0.640 5.035 4.350 -0.184 -0.155 0.281 282 T C -1.116 173.423 174.700 -0.267 0.000 1.005 282 T CA -0.335 61.643 62.100 -0.203 0.000 1.025 282 T CB 1.812 70.575 68.868 -0.175 0.000 0.977 282 T HN 0.745 8.845 8.240 -0.233 0.000 0.458 283 V N 7.282 127.037 119.914 -0.265 0.000 2.525 283 V HA 0.593 4.685 4.120 -0.345 -0.179 0.299 283 V C -1.348 174.589 176.094 -0.262 0.000 1.034 283 V CA -1.061 61.059 62.300 -0.300 0.000 0.863 283 V CB 2.457 34.115 31.823 -0.275 0.000 0.999 283 V HN 0.618 8.651 8.190 -0.261 0.000 0.423 284 T N 9.434 123.849 114.554 -0.232 0.000 2.779 284 T HA 0.623 5.067 4.350 -0.150 -0.183 0.280 284 T C -1.031 173.560 174.700 -0.182 0.000 0.987 284 T CA -0.930 61.077 62.100 -0.155 0.000 0.966 284 T CB 1.757 70.571 68.868 -0.090 0.000 0.933 284 T HN 0.582 8.682 8.240 -0.233 0.000 0.442 285 Y N 6.491 126.696 120.300 -0.158 0.000 2.326 285 Y HA 0.302 4.920 4.550 -0.112 -0.135 0.337 285 Y C -0.938 174.809 175.900 -0.255 0.000 1.023 285 Y CA -0.501 57.517 58.100 -0.138 0.000 1.143 285 Y CB 1.357 39.801 38.460 -0.026 0.000 1.183 285 Y HN 0.488 8.886 8.280 0.197 0.000 0.485 286 I N 2.198 122.584 120.570 -0.308 0.000 2.465 286 I HA 0.523 4.681 4.170 -0.294 -0.164 0.291 286 I C -1.453 174.384 176.117 -0.467 0.000 1.014 286 I CA -1.548 59.480 61.300 -0.454 0.000 1.093 286 I CB 3.942 41.528 38.000 -0.691 0.000 1.267 286 I HN 0.615 8.566 8.210 -0.432 0.000 0.431 287 E N 6.650 126.701 120.200 -0.248 0.000 2.374 287 E HA 0.169 4.631 4.350 -0.062 -0.148 0.260 287 E C 0.910 177.485 176.600 -0.042 0.000 1.101 287 E CA -0.800 55.533 56.400 -0.112 0.000 0.907 287 E CB 2.185 31.838 29.700 -0.079 0.000 1.014 287 E HN -0.127 8.102 8.360 -0.217 0.000 0.427 288 A N 3.625 126.493 122.820 0.080 0.000 2.119 288 A HA -0.136 4.308 4.320 0.207 0.000 0.217 288 A C 0.375 178.013 177.584 0.090 0.000 1.153 288 A CA 2.487 54.610 52.037 0.144 0.000 0.692 288 A CB -0.094 19.007 19.000 0.168 0.000 0.799 288 A HN 0.170 8.384 8.150 0.107 0.000 0.458 289 S N -4.093 111.642 115.700 0.059 0.000 2.423 289 S HA -0.198 4.297 4.470 0.043 0.000 0.231 289 S C 1.318 175.929 174.600 0.018 0.000 1.014 289 S CA 1.032 59.255 58.200 0.038 0.000 0.965 289 S CB -0.272 62.949 63.200 0.033 0.000 0.785 289 S HN 0.071 8.393 8.310 0.059 0.024 0.495 290 G N 1.242 110.042 108.800 -0.001 0.000 2.255 290 G HA2 -0.249 3.704 3.960 -0.013 0.000 0.196 290 G HA3 -0.249 3.885 3.960 -0.014 -0.181 0.196 290 G C -0.918 173.946 174.900 -0.060 0.000 0.998 290 G CA -0.480 44.607 45.100 -0.021 0.000 0.656 290 G HN -0.270 7.877 8.290 -0.008 0.138 0.490 291 K N 2.364 122.725 120.400 -0.065 0.000 2.436 291 K HA -0.031 4.245 4.320 -0.073 0.000 0.275 291 K C -0.343 176.182 176.600 -0.126 0.000 0.999 291 K CA 0.470 56.706 56.287 -0.084 0.000 0.980 291 K CB 1.027 33.482 32.500 -0.076 0.000 0.919 291 K HN -0.708 7.512 8.250 -0.050 0.000 0.484 292 S N 3.694 119.322 115.700 -0.121 0.000 2.448 292 S HA 0.070 4.562 4.470 -0.156 -0.116 0.279 292 S C 0.282 174.801 174.600 -0.135 0.000 1.195 292 S CA 0.422 58.539 58.200 -0.138 0.000 1.051 292 S CB -0.429 62.693 63.200 -0.130 0.000 0.948 292 S HN 0.370 8.618 8.310 -0.104 0.000 0.493 293 L N 7.142 128.272 121.223 -0.156 0.000 2.202 293 L HA 0.077 4.332 4.340 -0.142 0.000 0.205 293 L C 0.010 176.769 176.870 -0.186 0.000 1.083 293 L CA 1.579 56.319 54.840 -0.167 0.000 0.790 293 L CB 1.060 43.013 42.059 -0.176 0.000 0.942 293 L HN 0.591 8.729 8.230 -0.153 0.000 0.452 294 F N -3.010 116.649 119.950 -0.484 0.000 2.725 294 F HA 0.196 4.463 4.527 -0.434 0.000 0.309 294 F C -2.513 173.101 175.800 -0.309 0.000 1.132 294 F CA -0.288 57.359 58.000 -0.587 0.000 0.957 294 F CB 3.298 41.409 39.000 -1.482 0.000 1.286 294 F HN -0.854 7.339 8.300 -0.177 0.000 0.440 295 K N 4.849 124.578 120.400 -1.118 0.000 2.535 295 K HA 0.847 5.060 4.320 -0.555 -0.226 0.251 295 K C -1.463 174.503 176.600 -1.056 0.000 0.942 295 K CA -0.947 54.869 56.287 -0.786 0.000 0.798 295 K CB 3.027 35.260 32.500 -0.445 0.000 1.267 295 K HN 0.036 7.352 8.250 -1.556 0.000 0.434 296 T N 4.028 118.154 114.554 -0.714 0.000 2.864 296 T HA 0.317 4.393 4.350 -0.456 0.000 0.299 296 T C -2.220 172.295 174.700 -0.308 0.000 1.166 296 T CA -1.473 60.317 62.100 -0.516 0.000 1.007 296 T CB 2.625 71.165 68.868 -0.546 0.000 1.219 296 T HN 0.563 8.468 8.240 -0.558 0.000 0.506 297 R N 2.106 122.495 120.500 -0.186 0.000 2.740 297 R HA 0.767 5.209 4.340 -0.121 -0.174 0.282 297 R C -0.757 175.528 176.300 -0.024 0.000 0.969 297 R CA -1.286 54.752 56.100 -0.104 0.000 0.918 297 R CB 2.531 32.785 30.300 -0.076 0.000 1.175 297 R HN 0.093 8.269 8.270 -0.157 0.000 0.464 298 L N 3.181 124.412 121.223 0.014 0.000 2.342 298 L HA 0.502 4.894 4.340 0.087 0.000 0.276 298 L C -2.723 174.207 176.870 0.101 0.000 0.997 298 L CA -2.309 52.579 54.840 0.080 0.000 0.838 298 L CB 1.665 43.793 42.059 0.116 0.000 1.224 298 L HN 0.703 8.932 8.230 -0.002 0.000 0.416 299 P HA -0.047 4.420 4.420 0.077 0.000 0.268 299 P C -0.916 176.441 177.300 0.095 0.000 1.208 299 P CA -0.454 62.692 63.100 0.076 0.000 0.777 299 P CB 0.582 32.308 31.700 0.043 0.000 0.875 300 R N 3.160 123.702 120.500 0.071 0.000 2.537 300 R HA -0.189 4.026 4.340 -0.209 0.000 0.280 300 R C -0.680 175.555 176.300 -0.107 0.000 1.058 300 R CA 1.061 57.092 56.100 -0.114 0.000 1.057 300 R CB 0.559 30.748 30.300 -0.186 0.000 0.973 300 R HN -0.439 7.884 8.270 0.088 0.000 0.438 301 R N 4.168 124.580 120.500 -0.146 0.000 2.740 301 R HA 0.137 4.441 4.340 -0.060 0.000 0.282 301 R C -1.042 175.197 176.300 -0.100 0.000 0.969 301 R CA -0.972 55.078 56.100 -0.082 0.000 0.918 301 R CB 2.964 33.243 30.300 -0.034 0.000 1.175 301 R HN 0.116 8.261 8.270 -0.209 0.000 0.464 302 A N 1.702 124.484 122.820 -0.062 0.000 2.425 302 A HA -0.084 4.199 4.320 -0.061 0.000 0.242 302 A C -0.193 177.372 177.584 -0.032 0.000 1.077 302 A CA 0.256 52.264 52.037 -0.049 0.000 0.781 302 A CB 0.534 19.516 19.000 -0.031 0.000 1.020 302 A HN 0.186 8.307 8.150 -0.048 0.000 0.494 303 R N 0.871 121.358 120.500 -0.021 0.000 2.807 303 R HA 0.380 4.723 4.340 0.004 0.000 0.276 303 R C -2.286 174.021 176.300 0.012 0.000 0.979 303 R CA -2.090 54.010 56.100 0.001 0.000 0.928 303 R CB 0.910 31.216 30.300 0.009 0.000 1.191 303 R HN 0.188 8.444 8.270 -0.023 0.000 0.471 304 P HA 0.000 4.429 4.420 0.015 0.000 0.216 304 P CA 0.000 63.116 63.100 0.027 0.000 0.800 304 P CB 0.000 31.713 31.700 0.022 0.000 0.726