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 1eza_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA DATA SEQUENCE SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DATA SEQUENCE DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS DATA SEQUENCE AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP DATA SEQUENCE AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK DATA SEQUENCE AELAKLKDR 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 M HA 0.000 4.415 4.480 -0.108 0.000 0.227 1 M C 0.000 176.245 176.300 -0.092 0.000 1.140 1 M CA 0.000 55.237 55.300 -0.104 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.056 0.000 1.302 2 I N 4.712 125.216 120.570 -0.110 0.000 2.471 2 I HA -0.086 4.049 4.170 -0.058 0.000 0.294 2 I C -0.995 175.074 176.117 -0.080 0.000 1.123 2 I CA 0.441 61.693 61.300 -0.080 0.000 1.336 2 I CB -0.424 37.531 38.000 -0.076 0.000 1.430 2 I HN 0.060 8.183 8.210 -0.144 0.000 0.533 3 S N 8.589 124.254 115.700 -0.058 0.000 2.438 3 S HA 0.531 5.306 4.470 -0.059 -0.340 0.293 3 S C -0.080 174.499 174.600 -0.036 0.000 1.141 3 S CA -0.772 57.398 58.200 -0.049 0.000 1.080 3 S CB 0.662 63.839 63.200 -0.038 0.000 0.978 3 S HN -0.198 8.082 8.310 -0.049 0.000 0.479 4 G N 3.994 112.774 108.800 -0.033 0.000 2.782 4 G HA2 0.292 4.383 3.960 -0.019 0.000 0.201 4 G HA3 0.292 4.240 3.960 -0.020 0.000 0.201 4 G C -1.100 173.791 174.900 -0.016 0.000 1.374 4 G CA -1.524 43.563 45.100 -0.022 0.000 1.039 4 G HN 0.615 9.231 8.290 -0.039 -0.349 0.576 5 I N -1.130 119.433 120.570 -0.011 0.000 3.956 5 I HA 0.016 4.181 4.170 -0.009 0.000 0.333 5 I C -0.635 175.478 176.117 -0.006 0.000 1.302 5 I CA -0.201 61.094 61.300 -0.008 0.000 1.122 5 I CB 0.562 38.558 38.000 -0.006 0.000 1.013 5 I HN 0.184 8.389 8.210 -0.008 0.000 0.405 6 L N -0.807 120.413 121.223 -0.006 0.000 3.040 6 L HA -0.381 3.957 4.340 -0.003 0.000 0.594 6 L C -0.541 176.331 176.870 0.003 0.000 1.002 6 L CA 0.461 55.299 54.840 -0.003 0.000 1.305 6 L CB -0.106 41.950 42.059 -0.005 0.000 1.539 6 L HN -0.689 7.478 8.230 -0.009 0.057 0.746 7 A N 4.875 127.702 122.820 0.011 0.000 1.943 7 A HA 0.018 4.341 4.320 0.004 0.000 0.213 7 A C -0.681 176.913 177.584 0.017 0.000 1.181 7 A CA 0.973 53.018 52.037 0.013 0.000 0.653 7 A CB 1.308 20.321 19.000 0.022 0.000 0.833 7 A HN 0.623 8.680 8.150 0.015 0.102 0.451 8 S N -3.245 112.469 115.700 0.024 0.000 2.536 8 S HA 0.489 4.970 4.470 0.019 0.000 0.271 8 S C -2.603 172.007 174.600 0.017 0.000 1.134 8 S CA -2.664 55.551 58.200 0.025 0.000 0.897 8 S CB 1.970 65.195 63.200 0.042 0.000 1.094 8 S HN -0.837 7.487 8.310 0.025 0.000 0.473 9 P HA 0.494 5.175 4.420 0.003 -0.260 0.279 9 P C -0.558 176.745 177.300 0.005 0.000 1.239 9 P CA -1.608 61.496 63.100 0.007 0.000 0.789 9 P CB 0.988 32.693 31.700 0.009 0.000 0.933 10 G N 0.261 109.058 108.800 -0.005 0.000 2.336 10 G HA2 -0.031 3.929 3.960 0.000 0.000 0.300 10 G HA3 -0.031 3.925 3.960 -0.007 0.000 0.300 10 G C -2.637 172.237 174.900 -0.042 0.000 1.375 10 G CA -0.286 44.807 45.100 -0.011 0.000 0.885 10 G HN -0.699 7.586 8.290 -0.009 0.000 0.599 11 I N -0.829 119.706 120.570 -0.059 0.000 2.545 11 I HA 0.310 4.571 4.170 -0.186 -0.203 0.292 11 I C -1.313 174.667 176.117 -0.230 0.000 1.040 11 I CA -1.237 59.964 61.300 -0.165 0.000 1.068 11 I CB 3.309 41.221 38.000 -0.146 0.000 1.251 11 I HN 0.119 8.314 8.210 -0.025 0.000 0.424 12 A N 6.777 129.357 122.820 -0.401 0.000 2.515 12 A HA 0.544 4.808 4.320 -0.094 0.000 0.298 12 A C -2.393 174.858 177.584 -0.555 0.000 1.059 12 A CA -0.977 50.878 52.037 -0.304 0.000 0.698 12 A CB 3.613 22.525 19.000 -0.145 0.000 1.289 12 A HN 0.542 8.433 8.150 -0.432 0.000 0.404 13 F N -0.538 119.375 119.950 -0.062 0.000 2.495 13 F HA 0.558 4.999 4.527 -0.144 0.000 0.327 13 F C 0.583 176.272 175.800 -0.186 0.000 1.103 13 F CA -1.797 56.135 58.000 -0.114 0.000 0.949 13 F CB 2.722 41.708 39.000 -0.023 0.000 1.142 13 F HN 0.295 8.830 8.300 0.391 0.000 0.457 14 G N 2.100 110.787 108.800 -0.188 0.000 2.489 14 G HA2 0.198 4.082 3.960 -0.126 0.000 0.291 14 G HA3 0.198 4.081 3.960 -0.127 0.000 0.291 14 G C -2.434 172.279 174.900 -0.311 0.000 1.487 14 G CA 0.249 45.234 45.100 -0.191 0.000 0.795 14 G HN -0.120 7.960 8.290 -0.351 0.000 0.513 15 K N -0.585 119.704 120.400 -0.186 0.000 2.168 15 K HA 0.268 4.605 4.320 -0.180 -0.125 0.258 15 K C -0.664 175.882 176.600 -0.091 0.000 1.010 15 K CA -0.063 56.148 56.287 -0.126 0.000 0.929 15 K CB 1.390 33.875 32.500 -0.025 0.000 0.998 15 K HN 0.363 8.545 8.250 -0.113 0.000 0.479 16 A N 0.341 123.129 122.820 -0.053 0.000 2.354 16 A HA 0.098 4.388 4.320 -0.049 0.000 0.281 16 A C -2.194 175.381 177.584 -0.016 0.000 1.174 16 A CA -0.550 51.467 52.037 -0.034 0.000 0.828 16 A CB 0.695 19.687 19.000 -0.013 0.000 1.099 16 A HN 0.880 8.958 8.150 -0.031 0.053 0.516 17 L N 5.869 127.082 121.223 -0.016 0.000 2.287 17 L HA 0.407 4.747 4.340 0.000 0.000 0.280 17 L C -2.273 174.601 176.870 0.006 0.000 1.055 17 L CA -1.293 53.545 54.840 -0.003 0.000 0.863 17 L CB 1.420 43.475 42.059 -0.005 0.000 1.245 17 L HN -0.082 8.133 8.230 -0.025 0.000 0.432 18 L N 5.743 126.971 121.223 0.009 0.000 2.349 18 L HA 0.222 4.570 4.340 0.014 0.000 0.275 18 L C -0.621 176.258 176.870 0.015 0.000 1.115 18 L CA -0.471 54.376 54.840 0.012 0.000 0.820 18 L CB 1.459 43.525 42.059 0.012 0.000 1.135 18 L HN -0.009 8.226 8.230 0.008 0.000 0.445 19 L N 6.640 127.874 121.223 0.018 0.000 2.264 19 L HA 0.185 4.535 4.340 0.017 0.000 0.287 19 L C -0.686 176.193 176.870 0.014 0.000 1.039 19 L CA -0.652 54.199 54.840 0.018 0.000 0.829 19 L CB -0.665 41.409 42.059 0.024 0.000 1.211 19 L HN 0.134 8.375 8.230 0.019 0.000 0.427 20 K N 4.610 125.017 120.400 0.011 0.000 2.159 20 K HA 0.217 4.542 4.320 0.008 0.000 0.266 20 K C -0.795 175.808 176.600 0.006 0.000 0.975 20 K CA -0.541 55.751 56.287 0.008 0.000 0.865 20 K CB 0.949 33.453 32.500 0.007 0.000 1.087 20 K HN 0.242 8.499 8.250 0.011 0.000 0.446 21 E N 2.052 122.254 120.200 0.003 0.000 2.266 21 E HA 0.137 4.488 4.350 0.001 0.000 0.268 21 E C -1.279 175.319 176.600 -0.003 0.000 0.879 21 E CA -0.598 55.802 56.400 0.000 0.000 0.762 21 E CB 2.162 31.861 29.700 -0.001 0.000 1.199 21 E HN 0.156 8.518 8.360 0.003 0.000 0.422 22 D N 2.801 123.199 120.400 -0.004 0.000 2.308 22 D HA 0.083 4.721 4.640 -0.004 0.000 0.251 22 D C -0.260 176.033 176.300 -0.011 0.000 1.127 22 D CA -0.064 53.933 54.000 -0.006 0.000 0.876 22 D CB 1.052 41.849 40.800 -0.005 0.000 1.176 22 D HN 0.096 8.464 8.370 -0.004 0.000 0.446 23 E N 2.949 123.142 120.200 -0.011 0.000 2.415 23 E HA -0.071 4.267 4.350 -0.020 0.000 0.262 23 E C 0.141 176.727 176.600 -0.023 0.000 1.038 23 E CA -0.285 56.105 56.400 -0.018 0.000 0.921 23 E CB 1.053 30.744 29.700 -0.015 0.000 0.950 23 E HN 0.096 8.451 8.360 -0.008 0.000 0.438 24 I N 4.772 125.321 120.570 -0.034 0.000 2.395 24 I HA 0.008 4.161 4.170 -0.029 0.000 0.289 24 I C -0.397 175.695 176.117 -0.041 0.000 1.023 24 I CA -0.422 60.854 61.300 -0.040 0.000 1.350 24 I CB 0.397 38.362 38.000 -0.057 0.000 1.409 24 I HN -0.000 8.186 8.210 -0.040 0.000 0.507 25 V N 7.414 127.311 119.914 -0.028 0.000 2.370 25 V HA 0.154 4.260 4.120 -0.023 0.000 0.283 25 V C -0.523 175.561 176.094 -0.018 0.000 1.023 25 V CA -1.081 61.206 62.300 -0.020 0.000 0.857 25 V CB 0.772 32.589 31.823 -0.010 0.000 0.985 25 V HN 0.203 8.380 8.190 -0.022 0.000 0.443 26 I N 6.957 127.517 120.570 -0.017 0.000 2.396 26 I HA -0.000 4.168 4.170 -0.002 0.000 0.292 26 I C -0.843 175.282 176.117 0.014 0.000 0.999 26 I CA -0.547 60.752 61.300 -0.001 0.000 1.310 26 I CB 0.899 38.903 38.000 0.006 0.000 1.404 26 I HN 0.185 8.383 8.210 -0.019 0.000 0.496 27 D N 6.956 127.367 120.400 0.019 0.000 2.280 27 D HA 0.079 4.729 4.640 0.017 0.000 0.243 27 D C -0.350 175.967 176.300 0.027 0.000 1.129 27 D CA -0.373 53.639 54.000 0.020 0.000 0.848 27 D CB 0.760 41.571 40.800 0.019 0.000 1.107 27 D HN 0.179 8.561 8.370 0.020 0.000 0.471 28 R N 1.922 122.437 120.500 0.026 0.000 2.568 28 R HA 0.073 4.433 4.340 0.034 0.000 0.288 28 R C -0.614 175.700 176.300 0.024 0.000 1.077 28 R CA -1.937 54.180 56.100 0.028 0.000 1.102 28 R CB -0.943 29.373 30.300 0.027 0.000 1.278 28 R HN 0.208 8.490 8.270 0.021 0.000 0.560 29 K N 1.198 121.611 120.400 0.022 0.000 2.270 29 K HA 0.036 4.365 4.320 0.014 0.000 0.276 29 K C -0.166 176.448 176.600 0.024 0.000 1.023 29 K CA -0.339 55.959 56.287 0.018 0.000 0.955 29 K CB 0.545 33.054 32.500 0.015 0.000 0.975 29 K HN -0.424 7.747 8.250 0.023 0.093 0.471 30 K N 1.892 122.303 120.400 0.018 0.000 2.297 30 K HA 0.006 4.355 4.320 0.048 0.000 0.286 30 K C 0.578 177.190 176.600 0.020 0.000 1.053 30 K CA -0.407 55.895 56.287 0.025 0.000 0.940 30 K CB 0.406 32.907 32.500 0.002 0.000 1.019 30 K HN -0.017 8.239 8.250 0.009 0.000 0.475 31 I N 1.504 122.101 120.570 0.046 0.000 3.078 31 I HA 0.302 4.486 4.170 0.022 0.000 0.318 31 I C -0.531 175.607 176.117 0.036 0.000 1.016 31 I CA -1.222 60.102 61.300 0.040 0.000 1.130 31 I CB 1.207 39.239 38.000 0.053 0.000 1.397 31 I HN 0.169 8.423 8.210 0.073 0.000 0.570 32 S N 1.163 116.880 115.700 0.028 0.000 2.722 32 S HA 0.196 4.652 4.470 -0.023 0.000 0.292 32 S C 0.479 175.121 174.600 0.070 0.000 1.135 32 S CA -1.498 56.713 58.200 0.018 0.000 1.003 32 S CB 2.405 65.605 63.200 -0.000 0.000 1.067 32 S HN -0.213 8.113 8.310 0.027 0.000 0.546 33 A N 0.249 123.117 122.820 0.079 0.000 2.234 33 A HA -0.150 4.243 4.320 0.121 0.000 0.216 33 A C 0.944 178.558 177.584 0.050 0.000 1.167 33 A CA 1.982 54.073 52.037 0.089 0.000 0.698 33 A CB -0.603 18.446 19.000 0.082 0.000 0.779 33 A HN 0.625 8.804 8.150 0.048 0.000 0.475 34 D N -2.383 118.039 120.400 0.037 0.000 2.183 34 D HA -0.046 4.608 4.640 0.024 0.000 0.205 34 D C 1.360 177.676 176.300 0.027 0.000 0.962 34 D CA 2.498 56.514 54.000 0.026 0.000 0.849 34 D CB 0.323 41.133 40.800 0.018 0.000 0.978 34 D HN -0.621 7.665 8.370 0.035 0.105 0.488 35 Q N -1.715 118.104 119.800 0.032 0.000 2.356 35 Q HA 0.055 4.411 4.340 0.026 0.000 0.205 35 Q C 1.866 177.887 176.000 0.034 0.000 0.901 35 Q CA 0.915 56.736 55.803 0.031 0.000 0.938 35 Q CB 0.663 29.418 28.738 0.030 0.000 1.081 35 Q HN -0.583 7.709 8.270 0.036 0.000 0.517 36 V N 1.631 121.569 119.914 0.039 0.000 2.255 36 V HA -0.557 3.581 4.120 0.029 0.000 0.247 36 V C 1.207 177.313 176.094 0.019 0.000 1.051 36 V CA 4.793 67.111 62.300 0.029 0.000 1.018 36 V CB -0.324 31.517 31.823 0.029 0.000 0.641 36 V HN -0.620 7.549 8.190 0.046 0.049 0.445 37 D N -2.044 118.368 120.400 0.020 0.000 2.158 37 D HA -0.351 4.297 4.640 0.014 0.000 0.197 37 D C 2.640 178.955 176.300 0.026 0.000 0.995 37 D CA 3.485 57.496 54.000 0.019 0.000 0.846 37 D CB -0.564 40.247 40.800 0.018 0.000 0.941 37 D HN 0.211 8.594 8.370 0.023 0.000 0.456 38 Q N -1.383 118.434 119.800 0.028 0.000 2.079 38 Q HA -0.261 4.098 4.340 0.032 0.000 0.200 38 Q C 2.403 178.429 176.000 0.044 0.000 0.974 38 Q CA 3.031 58.854 55.803 0.033 0.000 0.840 38 Q CB -0.290 28.466 28.738 0.029 0.000 0.898 38 Q HN -0.704 7.466 8.270 0.027 0.116 0.430 39 E N -0.448 119.778 120.200 0.044 0.000 2.110 39 E HA -0.308 4.083 4.350 0.069 0.000 0.193 39 E C 2.420 179.072 176.600 0.087 0.000 0.988 39 E CA 2.681 59.117 56.400 0.060 0.000 0.804 39 E CB -0.491 29.233 29.700 0.041 0.000 0.745 39 E HN -0.590 7.707 8.360 0.036 0.084 0.458 40 V N -0.827 119.124 119.914 0.061 0.000 2.332 40 V HA -0.447 3.726 4.120 0.089 0.000 0.248 40 V C 2.023 178.191 176.094 0.123 0.000 1.055 40 V CA 4.960 67.309 62.300 0.082 0.000 1.038 40 V CB -0.657 31.189 31.823 0.038 0.000 0.651 40 V HN -0.495 7.708 8.190 0.038 0.010 0.450 41 E N -0.639 119.611 120.200 0.083 0.000 2.072 41 E HA -0.284 4.107 4.350 0.069 0.000 0.191 41 E C 2.472 179.118 176.600 0.076 0.000 0.985 41 E CA 3.314 59.756 56.400 0.070 0.000 0.801 41 E CB -0.461 29.266 29.700 0.045 0.000 0.750 41 E HN -0.437 7.868 8.360 0.064 0.093 0.452 42 R N -1.686 118.865 120.500 0.084 0.000 2.115 42 R HA -0.332 4.031 4.340 0.038 0.000 0.230 42 R C 1.908 178.262 176.300 0.089 0.000 1.111 42 R CA 3.332 59.474 56.100 0.071 0.000 0.976 42 R CB -0.062 30.281 30.300 0.072 0.000 0.870 42 R HN -0.472 7.848 8.270 0.084 0.000 0.445 43 F N 0.395 120.349 119.950 0.006 0.000 2.179 43 F HA -0.193 4.339 4.527 0.007 0.000 0.292 43 F C 1.224 177.028 175.800 0.007 0.000 1.089 43 F CA 3.025 61.029 58.000 0.007 0.000 1.295 43 F CB 0.469 39.473 39.000 0.007 0.000 1.041 43 F HN -0.158 8.191 8.300 0.268 0.111 0.487 44 L N -0.087 121.304 121.223 0.280 0.000 1.994 44 L HA -0.444 4.010 4.340 0.189 0.000 0.208 44 L C 1.689 178.562 176.870 0.005 0.000 1.071 44 L CA 3.808 58.741 54.840 0.155 0.000 0.745 44 L CB -0.104 42.049 42.059 0.157 0.000 0.892 44 L HN 0.717 9.028 8.230 0.331 0.118 0.431 45 S N -2.336 113.371 115.700 0.012 0.000 2.406 45 S HA -0.243 4.219 4.470 -0.013 0.000 0.228 45 S C 2.391 176.955 174.600 -0.060 0.000 1.020 45 S CA 3.346 61.537 58.200 -0.016 0.000 0.965 45 S CB -0.462 62.739 63.200 0.002 0.000 0.798 45 S HN 0.134 8.360 8.310 0.048 0.113 0.488 46 G N 0.806 109.548 108.800 -0.096 0.000 2.421 46 G HA2 -0.317 3.588 3.960 -0.092 0.000 0.216 46 G HA3 -0.317 3.655 3.960 -0.173 -0.115 0.216 46 G C 0.703 175.486 174.900 -0.196 0.000 1.171 46 G CA 1.726 46.740 45.100 -0.143 0.000 0.775 46 G HN -0.705 7.345 8.290 -0.071 0.197 0.543 47 R N 2.048 122.364 120.500 -0.306 0.000 2.159 47 R HA -0.339 3.845 4.340 -0.260 0.000 0.237 47 R C 1.942 178.165 176.300 -0.129 0.000 1.131 47 R CA 2.848 58.791 56.100 -0.261 0.000 0.982 47 R CB -0.193 29.921 30.300 -0.310 0.000 0.868 47 R HN 0.216 8.247 8.270 -0.398 0.000 0.453 48 A N -1.768 120.994 122.820 -0.096 0.000 1.940 48 A HA -0.239 4.057 4.320 -0.040 0.000 0.219 48 A C 1.752 179.308 177.584 -0.047 0.000 1.176 48 A CA 3.064 55.070 52.037 -0.052 0.000 0.631 48 A CB -0.852 18.127 19.000 -0.034 0.000 0.814 48 A HN -0.281 7.656 8.150 -0.107 0.149 0.446 49 K N -1.422 118.944 120.400 -0.056 0.000 2.067 49 K HA -0.156 4.144 4.320 -0.034 0.000 0.203 49 K C 1.902 178.473 176.600 -0.048 0.000 1.048 49 K CA 2.277 58.538 56.287 -0.045 0.000 0.954 49 K CB 0.265 32.740 32.500 -0.043 0.000 0.737 49 K HN -0.449 7.641 8.250 -0.071 0.117 0.444 50 A N -1.023 121.758 122.820 -0.066 0.000 1.940 50 A HA -0.291 4.001 4.320 -0.046 0.000 0.219 50 A C 1.549 179.108 177.584 -0.042 0.000 1.176 50 A CA 3.041 55.043 52.037 -0.059 0.000 0.631 50 A CB -0.902 18.047 19.000 -0.085 0.000 0.814 50 A HN 0.002 8.100 8.150 -0.087 0.000 0.446 51 S N -1.651 114.021 115.700 -0.046 0.000 2.368 51 S HA -0.343 4.119 4.470 -0.013 0.000 0.225 51 S C 1.947 176.539 174.600 -0.014 0.000 1.030 51 S CA 3.053 61.239 58.200 -0.023 0.000 0.999 51 S CB -0.403 62.782 63.200 -0.024 0.000 0.844 51 S HN 0.334 8.480 8.310 -0.063 0.127 0.459 52 A N 0.931 123.739 122.820 -0.020 0.000 1.929 52 A HA -0.178 4.136 4.320 -0.011 0.000 0.216 52 A C 2.028 179.602 177.584 -0.017 0.000 1.176 52 A CA 2.637 54.665 52.037 -0.016 0.000 0.628 52 A CB -0.716 18.274 19.000 -0.017 0.000 0.816 52 A HN -0.689 7.346 8.150 -0.028 0.099 0.444 53 Q N -0.892 118.895 119.800 -0.021 0.000 1.965 53 Q HA -0.354 3.972 4.340 -0.023 0.000 0.200 53 Q C 2.749 178.736 176.000 -0.021 0.000 0.981 53 Q CA 3.306 59.096 55.803 -0.022 0.000 0.834 53 Q CB 0.102 28.825 28.738 -0.024 0.000 0.900 53 Q HN -0.073 8.104 8.270 -0.024 0.079 0.426 54 L N -1.825 119.391 121.223 -0.012 0.000 2.081 54 L HA -0.489 3.845 4.340 -0.010 0.000 0.212 54 L C 2.167 179.037 176.870 -0.001 0.000 1.080 54 L CA 3.472 58.313 54.840 0.002 0.000 0.754 54 L CB -0.635 41.445 42.059 0.036 0.000 0.893 54 L HN 0.163 8.386 8.230 -0.012 0.000 0.433 55 E N -2.196 118.005 120.200 0.002 0.000 2.118 55 E HA -0.315 4.046 4.350 0.018 0.000 0.195 55 E C 2.473 179.063 176.600 -0.017 0.000 0.992 55 E CA 3.245 59.647 56.400 0.003 0.000 0.804 55 E CB -0.660 29.041 29.700 0.003 0.000 0.741 55 E HN -0.359 7.990 8.360 0.000 0.012 0.458 56 T N 1.602 116.140 114.554 -0.027 0.000 2.737 56 T HA -0.237 4.096 4.350 -0.029 0.000 0.265 56 T C 1.783 176.444 174.700 -0.064 0.000 1.038 56 T CA 4.268 66.346 62.100 -0.036 0.000 1.144 56 T CB -0.338 68.511 68.868 -0.032 0.000 0.866 56 T HN -0.497 7.621 8.240 -0.023 0.107 0.434 57 I N 1.343 121.860 120.570 -0.089 0.000 2.264 57 I HA -0.666 3.420 4.170 -0.140 0.000 0.248 57 I C 1.251 177.221 176.117 -0.246 0.000 1.111 57 I CA 4.285 65.485 61.300 -0.168 0.000 1.382 57 I CB -0.674 37.206 38.000 -0.200 0.000 1.060 57 I HN -0.427 7.741 8.210 -0.070 0.000 0.418 58 K N -0.699 119.591 120.400 -0.183 0.000 2.059 58 K HA -0.488 3.696 4.320 -0.226 0.000 0.212 58 K C 2.116 178.668 176.600 -0.079 0.000 1.050 58 K CA 3.973 60.183 56.287 -0.128 0.000 0.927 58 K CB -0.327 32.177 32.500 0.006 0.000 0.714 58 K HN -0.114 8.058 8.250 -0.114 0.009 0.447 59 T N -0.765 113.758 114.554 -0.052 0.000 2.951 59 T HA -0.147 4.202 4.350 -0.002 0.000 0.268 59 T C 1.847 176.526 174.700 -0.036 0.000 1.073 59 T CA 3.386 65.471 62.100 -0.025 0.000 1.134 59 T CB -0.614 68.242 68.868 -0.020 0.000 0.884 59 T HN -0.526 7.682 8.240 -0.053 0.000 0.479 60 K N 1.959 122.317 120.400 -0.070 0.000 2.211 60 K HA -0.222 4.070 4.320 -0.047 0.000 0.203 60 K C 1.933 178.515 176.600 -0.029 0.000 1.050 60 K CA 3.241 59.492 56.287 -0.061 0.000 0.945 60 K CB -0.518 31.937 32.500 -0.075 0.000 0.732 60 K HN -0.152 7.903 8.250 -0.095 0.138 0.451 61 A N -1.703 121.082 122.820 -0.060 0.000 1.970 61 A HA -0.020 4.461 4.320 0.267 0.000 0.216 61 A C 2.023 179.727 177.584 0.201 0.000 1.170 61 A CA 2.661 54.758 52.037 0.100 0.000 0.645 61 A CB -0.560 18.386 19.000 -0.090 0.000 0.816 61 A HN 0.094 8.019 8.150 -0.148 0.137 0.447 62 G N -2.312 106.551 108.800 0.105 0.000 2.492 62 G HA2 -0.175 4.022 3.960 0.149 0.000 0.214 62 G HA3 -0.175 3.833 3.960 0.080 0.000 0.214 62 G C 1.015 175.948 174.900 0.055 0.000 1.147 62 G CA 1.279 46.441 45.100 0.102 0.000 0.809 62 G HN -0.387 7.830 8.290 0.046 0.102 0.533 63 E N -0.825 119.383 120.200 0.014 0.000 2.385 63 E HA -0.134 4.208 4.350 -0.012 0.000 0.194 63 E C 1.216 177.772 176.600 -0.074 0.000 1.013 63 E CA 1.615 58.002 56.400 -0.022 0.000 0.866 63 E CB 0.139 29.821 29.700 -0.029 0.000 0.832 63 E HN 0.159 8.421 8.360 0.010 0.104 0.500 64 T N -0.831 113.655 114.554 -0.112 0.000 2.953 64 T HA -0.082 4.084 4.350 -0.307 0.000 0.247 64 T C 0.776 175.144 174.700 -0.553 0.000 1.029 64 T CA 2.603 64.492 62.100 -0.352 0.000 1.144 64 T CB 0.637 69.250 68.868 -0.424 0.000 0.870 64 T HN -0.454 7.727 8.240 -0.038 0.036 0.446 65 F N -1.659 118.318 119.950 0.044 0.000 2.694 65 F HA 0.164 4.714 4.527 0.039 0.000 0.292 65 F C 0.444 176.271 175.800 0.045 0.000 1.121 65 F CA 0.500 58.531 58.000 0.051 0.000 1.352 65 F CB 1.991 41.042 39.000 0.084 0.000 1.107 65 F HN -0.596 7.773 8.300 0.116 0.000 0.597 66 G N -1.375 107.534 108.800 0.183 0.000 2.392 66 G HA2 -0.144 3.932 3.960 0.074 0.000 0.677 66 G HA3 -0.144 3.884 3.960 0.112 0.000 0.677 66 G C -0.554 174.419 174.900 0.122 0.000 1.334 66 G CA -0.636 44.535 45.100 0.118 0.000 0.961 66 G HN -0.922 7.382 8.290 0.173 0.090 0.616 67 E N 0.791 121.040 120.200 0.081 0.000 2.393 67 E HA -0.423 4.135 4.350 0.077 -0.162 0.201 67 E C 1.283 177.927 176.600 0.074 0.000 1.025 67 E CA 2.307 58.749 56.400 0.071 0.000 0.856 67 E CB -0.232 29.495 29.700 0.044 0.000 0.771 67 E HN 0.447 8.845 8.360 0.063 0.000 0.526 68 E N -1.150 119.099 120.200 0.082 0.000 2.106 68 E HA -0.245 4.126 4.350 0.034 0.000 0.192 68 E C 1.733 178.378 176.600 0.074 0.000 0.984 68 E CA 2.408 58.846 56.400 0.062 0.000 0.806 68 E CB -0.412 29.325 29.700 0.062 0.000 0.750 68 E HN 0.261 8.592 8.360 0.093 0.085 0.458 69 K N -3.280 117.205 120.400 0.141 0.000 2.361 69 K HA 0.063 4.432 4.320 0.082 0.000 0.196 69 K C 1.823 178.576 176.600 0.255 0.000 1.039 69 K CA 0.330 56.726 56.287 0.182 0.000 1.001 69 K CB -0.217 32.469 32.500 0.310 0.000 0.795 69 K HN -0.512 7.843 8.250 0.174 0.000 0.495 70 E N 0.697 121.025 120.200 0.213 0.000 2.153 70 E HA -0.314 4.217 4.350 0.301 0.000 0.194 70 E C 1.697 178.372 176.600 0.125 0.000 0.988 70 E CA 3.093 59.614 56.400 0.202 0.000 0.811 70 E CB -0.146 29.626 29.700 0.120 0.000 0.746 70 E HN -0.599 7.729 8.360 0.170 0.134 0.466 71 A N -1.763 121.088 122.820 0.051 0.000 1.969 71 A HA -0.155 4.161 4.320 -0.006 0.000 0.218 71 A C 1.834 179.368 177.584 -0.083 0.000 1.169 71 A CA 2.881 54.908 52.037 -0.016 0.000 0.635 71 A CB -0.471 18.503 19.000 -0.044 0.000 0.810 71 A HN -0.479 7.684 8.150 0.053 0.019 0.445 72 I N -1.932 118.558 120.570 -0.133 0.000 2.286 72 I HA -0.475 3.537 4.170 -0.264 0.000 0.245 72 I C 1.842 177.603 176.117 -0.594 0.000 1.104 72 I CA 3.430 64.525 61.300 -0.343 0.000 1.397 72 I CB -0.035 37.733 38.000 -0.386 0.000 1.072 72 I HN -0.858 7.199 8.210 -0.072 0.110 0.417 73 F N -1.037 118.815 119.950 -0.163 0.000 2.367 73 F HA -0.070 4.468 4.527 0.019 0.000 0.298 73 F C 2.278 178.037 175.800 -0.068 0.000 1.094 73 F CA 2.192 60.155 58.000 -0.061 0.000 1.409 73 F CB -0.291 38.742 39.000 0.055 0.000 1.064 73 F HN -0.544 7.747 8.300 -0.015 0.000 0.528 74 E N 0.629 120.878 120.200 0.082 0.000 2.106 74 E HA -0.320 4.084 4.350 0.090 0.000 0.192 74 E C 2.569 179.172 176.600 0.005 0.000 0.984 74 E CA 2.945 59.376 56.400 0.052 0.000 0.806 74 E CB -0.293 29.427 29.700 0.033 0.000 0.750 74 E HN -0.052 8.226 8.360 0.064 0.120 0.458 75 G N -2.192 106.554 108.800 -0.089 0.000 2.403 75 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.216 75 G HA3 -0.234 3.666 3.960 -0.101 0.000 0.216 75 G C 1.116 176.014 174.900 -0.003 0.000 1.154 75 G CA 1.750 46.809 45.100 -0.067 0.000 0.784 75 G HN -0.584 7.595 8.290 -0.162 0.013 0.538 76 H N 3.002 122.100 119.070 0.046 0.000 2.319 76 H HA -0.374 4.193 4.556 0.018 0.000 0.299 76 H C 2.572 177.933 175.328 0.054 0.000 1.092 76 H CA 2.778 58.852 56.048 0.042 0.000 1.302 76 H CB 0.087 29.888 29.762 0.065 0.000 1.373 76 H HN -0.851 7.127 8.280 -0.370 0.080 0.497 77 I N -1.266 119.422 120.570 0.196 0.000 2.264 77 I HA -0.575 3.662 4.170 0.112 0.000 0.248 77 I C 1.433 177.601 176.117 0.085 0.000 1.111 77 I CA 3.684 65.056 61.300 0.119 0.000 1.382 77 I CB -0.237 37.821 38.000 0.097 0.000 1.060 77 I HN -0.531 7.803 8.210 0.207 0.000 0.418 78 M N 0.079 119.725 119.600 0.076 0.000 2.108 78 M HA -0.413 4.096 4.480 0.049 0.000 0.261 78 M C 1.440 177.778 176.300 0.063 0.000 1.066 78 M CA 3.651 58.985 55.300 0.057 0.000 1.107 78 M CB 0.137 32.764 32.600 0.045 0.000 1.356 78 M HN -0.815 7.422 8.290 0.078 0.099 0.406 79 L N -2.367 118.903 121.223 0.078 0.000 1.994 79 L HA -0.292 4.086 4.340 0.062 0.000 0.208 79 L C 2.388 179.301 176.870 0.071 0.000 1.071 79 L CA 3.181 58.065 54.840 0.073 0.000 0.745 79 L CB -0.067 42.043 42.059 0.086 0.000 0.892 79 L HN -0.654 7.541 8.230 0.095 0.092 0.431 80 L N -1.403 119.863 121.223 0.072 0.000 2.079 80 L HA -0.347 4.036 4.340 0.071 0.000 0.210 80 L C 1.479 178.386 176.870 0.062 0.000 1.081 80 L CA 3.009 57.885 54.840 0.061 0.000 0.752 80 L CB 0.015 42.097 42.059 0.037 0.000 0.896 80 L HN -0.517 7.762 8.230 0.082 0.000 0.433 81 E N -4.617 115.616 120.200 0.055 0.000 2.476 81 E HA -0.128 4.253 4.350 0.051 0.000 0.191 81 E C -0.792 175.841 176.600 0.056 0.000 1.064 81 E CA -0.249 56.181 56.400 0.051 0.000 0.866 81 E CB -0.249 29.475 29.700 0.040 0.000 0.952 81 E HN -0.534 7.850 8.360 0.056 0.009 0.492 82 D N 1.316 121.752 120.400 0.060 0.000 2.434 82 D HA -0.115 4.551 4.640 0.044 0.000 0.252 82 D C 0.505 176.838 176.300 0.055 0.000 1.185 82 D CA 0.595 54.626 54.000 0.052 0.000 0.886 82 D CB 0.645 41.475 40.800 0.050 0.000 1.148 82 D HN -0.408 7.786 8.370 0.066 0.216 0.483 83 E N 6.068 126.294 120.200 0.043 0.000 2.409 83 E HA -0.228 4.153 4.350 0.052 0.000 0.198 83 E C 1.527 178.146 176.600 0.031 0.000 1.024 83 E CA 2.300 58.724 56.400 0.040 0.000 0.861 83 E CB -0.043 29.675 29.700 0.030 0.000 0.788 83 E HN 0.478 8.861 8.360 0.037 0.000 0.521 84 E N -0.065 120.151 120.200 0.028 0.000 2.042 84 E HA -0.223 4.132 4.350 0.009 0.000 0.189 84 E C 2.088 178.697 176.600 0.015 0.000 0.974 84 E CA 2.828 59.238 56.400 0.016 0.000 0.806 84 E CB -0.062 29.646 29.700 0.014 0.000 0.769 84 E HN -0.398 8.203 8.360 0.032 -0.222 0.451 85 L N -1.608 119.632 121.223 0.030 0.000 2.191 85 L HA -0.222 4.125 4.340 0.012 0.000 0.212 85 L C 2.204 179.091 176.870 0.028 0.000 1.103 85 L CA 2.813 57.672 54.840 0.032 0.000 0.769 85 L CB -0.671 41.424 42.059 0.060 0.000 0.908 85 L HN -0.161 8.092 8.230 0.038 0.000 0.438 86 E N -0.292 119.940 120.200 0.054 0.000 2.047 86 E HA -0.431 3.960 4.350 0.068 0.000 0.191 86 E C 2.213 178.784 176.600 -0.049 0.000 0.987 86 E CA 3.500 59.930 56.400 0.049 0.000 0.799 86 E CB -0.287 29.481 29.700 0.113 0.000 0.752 86 E HN -0.413 7.955 8.360 0.062 0.029 0.449 87 Q N -1.797 117.987 119.800 -0.026 0.000 2.170 87 Q HA -0.315 3.993 4.340 -0.053 0.000 0.203 87 Q C 2.818 178.774 176.000 -0.072 0.000 0.976 87 Q CA 2.961 58.736 55.803 -0.046 0.000 0.858 87 Q CB -0.009 28.715 28.738 -0.025 0.000 0.907 87 Q HN -0.595 7.674 8.270 -0.001 0.000 0.433 88 E N 0.542 120.702 120.200 -0.066 0.000 2.016 88 E HA -0.285 4.025 4.350 -0.067 0.000 0.190 88 E C 2.353 178.882 176.600 -0.119 0.000 0.985 88 E CA 2.887 59.243 56.400 -0.074 0.000 0.802 88 E CB -0.065 29.605 29.700 -0.050 0.000 0.762 88 E HN -0.609 7.614 8.360 -0.046 0.109 0.448 89 I N -0.044 120.430 120.570 -0.161 0.000 2.145 89 I HA -0.527 3.531 4.170 -0.187 0.000 0.244 89 I C 2.239 178.174 176.117 -0.303 0.000 1.075 89 I CA 4.446 65.588 61.300 -0.263 0.000 1.332 89 I CB -0.163 37.561 38.000 -0.461 0.000 1.033 89 I HN -0.289 7.844 8.210 -0.128 0.000 0.410 90 I N -1.461 118.927 120.570 -0.304 0.000 2.226 90 I HA -0.575 3.430 4.170 -0.276 0.000 0.245 90 I C 1.387 177.408 176.117 -0.161 0.000 1.100 90 I CA 4.196 65.354 61.300 -0.237 0.000 1.374 90 I CB -0.382 37.513 38.000 -0.175 0.000 1.057 90 I HN -0.386 7.649 8.210 -0.288 0.002 0.413 91 A N 0.102 122.843 122.820 -0.132 0.000 1.940 91 A HA -0.307 3.951 4.320 -0.104 0.000 0.219 91 A C 2.144 179.657 177.584 -0.118 0.000 1.176 91 A CA 3.237 55.209 52.037 -0.108 0.000 0.631 91 A CB -0.926 18.024 19.000 -0.083 0.000 0.814 91 A HN -0.366 7.627 8.150 -0.130 0.080 0.446 92 L N -2.280 118.872 121.223 -0.118 0.000 2.093 92 L HA -0.416 3.869 4.340 -0.092 0.000 0.208 92 L C 2.555 179.355 176.870 -0.117 0.000 1.085 92 L CA 3.088 57.866 54.840 -0.104 0.000 0.755 92 L CB -0.353 41.653 42.059 -0.088 0.000 0.904 92 L HN -0.160 7.985 8.230 -0.125 0.010 0.435 93 I N -0.402 120.090 120.570 -0.130 0.000 2.252 93 I HA -0.508 3.836 4.170 -0.082 -0.223 0.245 93 I C 1.828 177.845 176.117 -0.166 0.000 1.102 93 I CA 4.126 65.356 61.300 -0.117 0.000 1.385 93 I CB -0.050 37.882 38.000 -0.113 0.000 1.064 93 I HN -0.525 7.596 8.210 -0.148 0.000 0.414 94 K N -2.930 117.360 120.400 -0.184 0.000 2.262 94 K HA -0.180 3.989 4.320 -0.253 0.000 0.200 94 K C 1.503 177.885 176.600 -0.364 0.000 1.049 94 K CA 2.648 58.791 56.287 -0.240 0.000 0.979 94 K CB 0.073 32.485 32.500 -0.147 0.000 0.773 94 K HN -0.470 7.686 8.250 -0.156 0.000 0.474 95 D N -1.800 118.442 120.400 -0.263 0.000 2.240 95 D HA -0.059 4.449 4.640 -0.221 0.000 0.206 95 D C 0.591 176.756 176.300 -0.226 0.000 0.963 95 D CA 2.075 55.943 54.000 -0.221 0.000 0.863 95 D CB 0.670 41.399 40.800 -0.118 0.000 0.973 95 D HN 0.148 8.285 8.370 -0.198 0.114 0.501 96 K N -3.203 117.082 120.400 -0.192 0.000 2.414 96 K HA 0.138 4.477 4.320 0.032 0.000 0.204 96 K C -1.328 175.288 176.600 0.025 0.000 1.026 96 K CA -1.213 55.047 56.287 -0.045 0.000 1.108 96 K CB 0.279 32.765 32.500 -0.022 0.000 0.855 96 K HN -0.336 7.680 8.250 -0.190 0.119 0.517 97 H N -5.206 113.854 119.070 -0.017 0.000 2.557 97 H HA -0.418 4.266 4.556 -0.014 -0.137 0.319 97 H C -0.992 174.331 175.328 -0.010 0.000 1.102 97 H CA 1.068 57.108 56.048 -0.012 0.000 1.126 97 H CB -2.943 26.814 29.762 -0.008 0.000 1.498 97 H HN -0.422 7.453 8.280 -0.568 0.064 0.411 98 M N -3.047 116.574 119.600 0.035 0.000 2.444 98 M HA 0.245 4.755 4.480 0.049 0.000 0.319 98 M C 0.179 176.493 176.300 0.023 0.000 1.183 98 M CA -0.282 55.036 55.300 0.030 0.000 1.032 98 M CB 2.520 35.123 32.600 0.005 0.000 1.569 98 M HN -1.008 7.269 8.290 -0.027 -0.003 0.468 99 T N -1.910 112.663 114.554 0.033 0.000 2.726 99 T HA -0.031 4.424 4.350 0.035 -0.083 0.294 99 T C 0.505 175.226 174.700 0.035 0.000 1.013 99 T CA -0.695 61.426 62.100 0.036 0.000 0.996 99 T CB 0.684 69.577 68.868 0.042 0.000 1.016 99 T HN -0.108 8.154 8.240 0.037 0.000 0.529 100 A N 0.620 123.473 122.820 0.055 0.000 1.930 100 A HA -0.285 4.061 4.320 0.044 0.000 0.217 100 A C 1.700 179.355 177.584 0.119 0.000 1.175 100 A CA 3.359 55.451 52.037 0.093 0.000 0.627 100 A CB -0.219 18.877 19.000 0.159 0.000 0.815 100 A HN 0.196 8.687 8.150 0.058 -0.306 0.443 101 D N -1.412 119.044 120.400 0.093 0.000 2.123 101 D HA -0.339 4.363 4.640 0.103 0.000 0.200 101 D C 1.772 178.131 176.300 0.098 0.000 0.976 101 D CA 4.111 58.163 54.000 0.087 0.000 0.831 101 D CB -0.598 40.233 40.800 0.052 0.000 0.974 101 D HN 0.231 8.647 8.370 0.076 0.000 0.469 102 A N -0.594 122.275 122.820 0.082 0.000 1.855 102 A HA -0.139 4.259 4.320 0.130 0.000 0.215 102 A C 1.735 179.369 177.584 0.083 0.000 1.191 102 A CA 2.908 55.001 52.037 0.093 0.000 0.613 102 A CB -0.688 18.349 19.000 0.062 0.000 0.829 102 A HN -0.487 7.702 8.150 0.066 0.000 0.442 103 A N -1.838 121.007 122.820 0.042 0.000 1.908 103 A HA -0.306 4.009 4.320 -0.009 0.000 0.218 103 A C 1.434 179.030 177.584 0.020 0.000 1.181 103 A CA 2.871 54.908 52.037 0.001 0.000 0.627 103 A CB -0.521 18.448 19.000 -0.053 0.000 0.818 103 A HN 0.036 8.208 8.150 0.036 0.000 0.445 104 A N -1.999 120.862 122.820 0.069 0.000 1.902 104 A HA -0.427 3.952 4.320 0.097 0.000 0.217 104 A C 1.136 178.811 177.584 0.151 0.000 1.181 104 A CA 3.040 55.154 52.037 0.129 0.000 0.623 104 A CB -0.772 18.364 19.000 0.227 0.000 0.818 104 A HN -0.423 7.774 8.150 0.078 0.000 0.443 105 H N -0.320 118.772 119.070 0.036 0.000 2.387 105 H HA -0.286 4.284 4.556 0.024 0.000 0.299 105 H C 1.966 177.300 175.328 0.011 0.000 1.090 105 H CA 2.383 58.444 56.048 0.022 0.000 1.332 105 H CB 0.001 29.773 29.762 0.017 0.000 1.386 105 H HN -0.396 8.017 8.280 0.222 0.000 0.516 106 E N -0.261 119.888 120.200 -0.086 0.000 2.023 106 E HA -0.415 3.770 4.350 -0.274 0.000 0.196 106 E C 2.234 178.763 176.600 -0.118 0.000 1.003 106 E CA 3.085 59.388 56.400 -0.161 0.000 0.809 106 E CB -0.104 29.548 29.700 -0.080 0.000 0.755 106 E HN -0.625 7.749 8.360 0.024 0.000 0.449 107 V N -0.806 119.077 119.914 -0.051 0.000 2.287 107 V HA -0.463 3.634 4.120 -0.040 0.000 0.248 107 V C 1.976 178.057 176.094 -0.022 0.000 1.053 107 V CA 4.500 66.782 62.300 -0.030 0.000 1.027 107 V CB -0.322 31.499 31.823 -0.003 0.000 0.646 107 V HN -0.755 7.416 8.190 -0.030 0.000 0.447 108 I N -2.217 118.357 120.570 0.007 0.000 2.567 108 I HA -0.466 3.719 4.170 0.026 0.000 0.257 108 I C 2.253 178.361 176.117 -0.016 0.000 1.184 108 I CA 2.568 63.886 61.300 0.030 0.000 1.451 108 I CB -1.567 36.501 38.000 0.114 0.000 1.089 108 I HN -0.497 7.731 8.210 0.031 0.000 0.441 109 E N 0.597 120.727 120.200 -0.116 0.000 2.072 109 E HA -0.273 4.011 4.350 -0.111 0.000 0.191 109 E C 2.350 178.901 176.600 -0.082 0.000 0.985 109 E CA 3.258 59.565 56.400 -0.156 0.000 0.801 109 E CB -0.234 29.287 29.700 -0.298 0.000 0.750 109 E HN 0.030 8.125 8.360 -0.156 0.171 0.452 110 G N -2.135 106.624 108.800 -0.070 0.000 2.539 110 G HA2 -0.075 3.857 3.960 -0.046 0.000 0.215 110 G HA3 -0.075 3.858 3.960 -0.045 0.000 0.215 110 G C 1.734 176.615 174.900 -0.032 0.000 1.141 110 G CA 1.035 46.107 45.100 -0.047 0.000 0.806 110 G HN -0.596 7.648 8.290 -0.078 0.000 0.533 111 Q N 1.396 121.180 119.800 -0.026 0.000 2.167 111 Q HA -0.265 4.064 4.340 -0.018 0.000 0.202 111 Q C 2.262 178.247 176.000 -0.025 0.000 0.970 111 Q CA 2.854 58.646 55.803 -0.018 0.000 0.855 111 Q CB -0.373 28.361 28.738 -0.006 0.000 0.911 111 Q HN -0.165 8.089 8.270 -0.027 0.000 0.438 112 A N -0.372 122.433 122.820 -0.025 0.000 1.861 112 A HA -0.144 4.153 4.320 -0.039 0.000 0.212 112 A C 1.627 179.192 177.584 -0.032 0.000 1.199 112 A CA 2.735 54.754 52.037 -0.030 0.000 0.613 112 A CB -0.286 18.703 19.000 -0.018 0.000 0.846 112 A HN -0.612 7.505 8.150 -0.022 0.020 0.446 113 S N -0.668 115.015 115.700 -0.029 0.000 2.399 113 S HA -0.321 4.133 4.470 -0.026 0.000 0.231 113 S C 1.913 176.496 174.600 -0.028 0.000 1.022 113 S CA 2.393 60.577 58.200 -0.027 0.000 0.983 113 S CB -0.008 63.175 63.200 -0.028 0.000 0.803 113 S HN -0.679 7.614 8.310 -0.029 0.000 0.480 114 A N 1.548 124.350 122.820 -0.029 0.000 1.902 114 A HA -0.191 4.116 4.320 -0.023 0.000 0.217 114 A C 2.305 179.871 177.584 -0.030 0.000 1.181 114 A CA 2.601 54.622 52.037 -0.026 0.000 0.623 114 A CB -0.619 18.367 19.000 -0.023 0.000 0.818 114 A HN -0.173 7.943 8.150 -0.029 0.016 0.443 115 L N -3.637 117.563 121.223 -0.040 0.000 2.275 115 L HA -0.347 3.963 4.340 -0.051 0.000 0.215 115 L C 2.321 179.161 176.870 -0.051 0.000 1.119 115 L CA 2.204 57.012 54.840 -0.055 0.000 0.790 115 L CB -0.351 41.661 42.059 -0.079 0.000 0.919 115 L HN -0.682 7.524 8.230 -0.040 0.000 0.443 116 E N -2.249 117.926 120.200 -0.042 0.000 2.347 116 E HA -0.269 4.057 4.350 -0.040 0.000 0.196 116 E C 0.633 177.217 176.600 -0.027 0.000 1.008 116 E CA 1.807 58.186 56.400 -0.035 0.000 0.852 116 E CB -0.330 29.353 29.700 -0.029 0.000 0.783 116 E HN -0.424 7.762 8.360 -0.039 0.151 0.505 117 E N -3.720 116.466 120.200 -0.024 0.000 2.427 117 E HA -0.166 4.174 4.350 -0.016 0.000 0.196 117 E C 0.357 176.948 176.600 -0.015 0.000 1.028 117 E CA 0.215 56.605 56.400 -0.018 0.000 0.864 117 E CB 0.249 29.940 29.700 -0.016 0.000 0.813 117 E HN -0.568 7.610 8.360 -0.026 0.166 0.514 118 L N -0.345 120.866 121.223 -0.019 0.000 2.350 118 L HA -0.006 4.330 4.340 -0.007 0.000 0.275 118 L C 0.473 177.337 176.870 -0.011 0.000 1.099 118 L CA 0.042 54.874 54.840 -0.013 0.000 0.808 118 L CB 0.754 42.804 42.059 -0.015 0.000 1.149 118 L HN -0.890 7.154 8.230 -0.026 0.170 0.442 119 D N 2.645 123.043 120.400 -0.003 0.000 3.072 119 D HA 0.073 4.710 4.640 -0.005 0.000 0.250 119 D C -1.367 174.937 176.300 0.007 0.000 1.304 119 D CA -0.217 53.783 54.000 -0.001 0.000 0.861 119 D CB -0.694 40.106 40.800 0.001 0.000 1.062 119 D HN 0.148 8.518 8.370 0.001 0.000 0.481 120 D N -0.710 119.696 120.400 0.010 0.000 2.481 120 D HA 0.197 4.857 4.640 0.033 0.000 0.244 120 D C 0.148 176.464 176.300 0.027 0.000 1.057 120 D CA -1.119 52.900 54.000 0.032 0.000 0.848 120 D CB 2.936 43.775 40.800 0.065 0.000 1.388 120 D HN -0.888 7.403 8.370 -0.001 0.078 0.475 121 E N 5.154 125.381 120.200 0.044 0.000 2.150 121 E HA -0.335 4.022 4.350 0.012 0.000 0.193 121 E C 1.241 177.876 176.600 0.059 0.000 0.985 121 E CA 3.172 59.595 56.400 0.038 0.000 0.814 121 E CB 0.251 29.976 29.700 0.041 0.000 0.752 121 E HN 0.607 8.997 8.360 0.050 0.000 0.466 122 Y N 0.630 120.915 120.300 -0.025 0.000 2.176 122 Y HA -0.234 4.293 4.550 -0.039 0.000 0.291 122 Y C 1.150 177.034 175.900 -0.027 0.000 1.122 122 Y CA 3.538 61.618 58.100 -0.033 0.000 1.128 122 Y CB -0.132 38.306 38.460 -0.038 0.000 1.005 122 Y HN -0.683 7.947 8.280 0.199 -0.231 0.509 123 L N -2.214 118.841 121.223 -0.280 0.000 2.083 123 L HA -0.461 3.489 4.340 -0.650 0.000 0.209 123 L C 2.110 178.833 176.870 -0.244 0.000 1.083 123 L CA 2.742 57.367 54.840 -0.358 0.000 0.752 123 L CB -0.567 41.432 42.059 -0.100 0.000 0.899 123 L HN -0.284 7.982 8.230 0.059 0.000 0.433 124 K N -0.165 120.151 120.400 -0.140 0.000 1.984 124 K HA -0.311 3.955 4.320 -0.089 0.000 0.209 124 K C 2.907 179.435 176.600 -0.120 0.000 1.046 124 K CA 2.959 59.186 56.287 -0.099 0.000 0.934 124 K CB -0.113 32.355 32.500 -0.054 0.000 0.717 124 K HN 0.009 8.087 8.250 -0.096 0.115 0.438 125 E N -1.380 118.747 120.200 -0.121 0.000 2.331 125 E HA -0.341 3.957 4.350 -0.086 0.000 0.199 125 E C 1.893 178.398 176.600 -0.158 0.000 1.008 125 E CA 2.821 59.153 56.400 -0.113 0.000 0.843 125 E CB -0.463 29.191 29.700 -0.077 0.000 0.761 125 E HN -0.499 7.799 8.360 -0.103 0.000 0.507 126 R N -0.963 119.387 120.500 -0.249 0.000 2.148 126 R HA -0.206 4.040 4.340 -0.156 0.000 0.223 126 R C 1.596 177.803 176.300 -0.155 0.000 1.088 126 R CA 2.613 58.568 56.100 -0.241 0.000 0.985 126 R CB -0.108 29.930 30.300 -0.436 0.000 0.880 126 R HN -0.203 7.713 8.270 -0.305 0.171 0.451 127 A N -0.704 122.033 122.820 -0.138 0.000 1.877 127 A HA -0.256 4.013 4.320 -0.086 0.000 0.216 127 A C 1.458 178.990 177.584 -0.086 0.000 1.186 127 A CA 3.131 55.111 52.037 -0.094 0.000 0.620 127 A CB -0.766 18.189 19.000 -0.076 0.000 0.822 127 A HN 0.291 8.174 8.150 -0.152 0.176 0.443 128 A N -2.577 120.189 122.820 -0.090 0.000 1.930 128 A HA -0.267 4.014 4.320 -0.064 0.000 0.217 128 A C 1.892 179.407 177.584 -0.115 0.000 1.175 128 A CA 2.961 54.949 52.037 -0.082 0.000 0.627 128 A CB -0.592 18.366 19.000 -0.071 0.000 0.815 128 A HN -0.503 7.591 8.150 -0.094 0.000 0.443 129 D N -1.281 119.024 120.400 -0.157 0.000 2.219 129 D HA -0.197 4.298 4.640 -0.241 0.000 0.205 129 D C 2.299 178.411 176.300 -0.314 0.000 0.970 129 D CA 3.054 56.893 54.000 -0.268 0.000 0.851 129 D CB -0.421 40.188 40.800 -0.318 0.000 0.943 129 D HN -0.305 7.980 8.370 -0.143 0.000 0.488 130 V N 0.531 120.324 119.914 -0.201 0.000 2.453 130 V HA -0.379 3.634 4.120 -0.178 0.000 0.247 130 V C 1.172 177.212 176.094 -0.090 0.000 1.048 130 V CA 3.383 65.600 62.300 -0.139 0.000 1.049 130 V CB -0.089 31.691 31.823 -0.072 0.000 0.672 130 V HN -0.006 7.970 8.190 -0.156 0.121 0.457 131 R N -0.172 120.286 120.500 -0.071 0.000 2.105 131 R HA -0.448 3.890 4.340 -0.002 0.000 0.239 131 R C 1.554 177.829 176.300 -0.042 0.000 1.135 131 R CA 3.855 59.936 56.100 -0.032 0.000 0.967 131 R CB -0.390 29.897 30.300 -0.022 0.000 0.861 131 R HN -0.683 7.539 8.270 -0.080 0.000 0.442 132 D N -1.399 118.956 120.400 -0.076 0.000 2.178 132 D HA -0.180 4.431 4.640 -0.048 0.000 0.201 132 D C 2.213 178.475 176.300 -0.064 0.000 0.980 132 D CA 2.992 56.950 54.000 -0.070 0.000 0.842 132 D CB -0.252 40.493 40.800 -0.092 0.000 0.948 132 D HN -0.594 7.704 8.370 -0.101 0.011 0.472 133 I N -0.943 119.577 120.570 -0.084 0.000 2.252 133 I HA -0.408 3.734 4.170 -0.047 0.000 0.245 133 I C 1.685 177.790 176.117 -0.020 0.000 1.102 133 I CA 3.092 64.360 61.300 -0.053 0.000 1.385 133 I CB -0.155 37.810 38.000 -0.058 0.000 1.064 133 I HN -0.551 7.455 8.210 -0.116 0.134 0.414 134 G N -1.060 107.738 108.800 -0.004 0.000 2.403 134 G HA2 -0.352 3.630 3.960 0.037 0.000 0.216 134 G HA3 -0.352 3.640 3.960 0.053 0.000 0.216 134 G C 0.706 175.610 174.900 0.006 0.000 1.154 134 G CA 1.749 46.865 45.100 0.027 0.000 0.784 134 G HN -0.447 7.836 8.290 -0.012 0.000 0.538 135 K N 2.043 122.435 120.400 -0.013 0.000 2.063 135 K HA -0.397 3.897 4.320 -0.043 0.000 0.208 135 K C 2.285 178.869 176.600 -0.026 0.000 1.048 135 K CA 3.496 59.765 56.287 -0.030 0.000 0.928 135 K CB -0.052 32.429 32.500 -0.033 0.000 0.713 135 K HN -0.171 8.070 8.250 -0.014 0.000 0.442 136 R N -1.415 119.070 120.500 -0.024 0.000 2.070 136 R HA -0.330 3.996 4.340 -0.023 0.000 0.233 136 R C 2.443 178.725 176.300 -0.029 0.000 1.137 136 R CA 3.130 59.215 56.100 -0.025 0.000 0.945 136 R CB -0.146 30.140 30.300 -0.024 0.000 0.845 136 R HN -0.568 7.687 8.270 -0.025 0.000 0.430 137 L N 0.440 121.645 121.223 -0.031 0.000 2.081 137 L HA -0.321 4.060 4.340 -0.071 -0.084 0.212 137 L C 1.837 178.692 176.870 -0.025 0.000 1.080 137 L CA 3.104 57.917 54.840 -0.045 0.000 0.754 137 L CB -0.278 41.757 42.059 -0.040 0.000 0.893 137 L HN -0.547 7.668 8.230 -0.025 0.000 0.433 138 L N -3.490 117.727 121.223 -0.010 0.000 2.046 138 L HA -0.426 3.922 4.340 0.013 0.000 0.208 138 L C 2.254 179.116 176.870 -0.014 0.000 1.077 138 L CA 3.319 58.155 54.840 -0.007 0.000 0.747 138 L CB -0.703 41.340 42.059 -0.027 0.000 0.896 138 L HN 0.126 8.260 8.230 -0.010 0.090 0.432 139 R N -1.947 118.541 120.500 -0.021 0.000 2.148 139 R HA -0.368 3.962 4.340 -0.017 0.000 0.227 139 R C 2.362 178.651 176.300 -0.018 0.000 1.103 139 R CA 3.385 59.474 56.100 -0.019 0.000 0.983 139 R CB -0.448 29.840 30.300 -0.020 0.000 0.874 139 R HN -0.473 7.699 8.270 -0.024 0.084 0.451 140 N N -1.118 117.567 118.700 -0.025 0.000 2.333 140 N HA -0.141 4.584 4.740 -0.025 0.000 0.178 140 N C 1.853 177.349 175.510 -0.023 0.000 1.018 140 N CA 3.204 56.236 53.050 -0.030 0.000 0.882 140 N CB 0.036 38.493 38.487 -0.049 0.000 0.984 140 N HN -0.550 7.669 8.380 -0.029 0.144 0.434 141 I N -0.519 120.041 120.570 -0.015 0.000 2.315 141 I HA -0.425 3.745 4.170 0.001 0.000 0.248 141 I C 0.697 176.820 176.117 0.010 0.000 1.117 141 I CA 3.546 64.849 61.300 0.005 0.000 1.404 141 I CB 0.224 38.245 38.000 0.034 0.000 1.071 141 I HN -0.464 7.649 8.210 -0.017 0.087 0.419 142 L N -5.701 115.525 121.223 0.004 0.000 2.558 142 L HA -0.067 4.279 4.340 0.009 0.000 0.225 142 L C 0.387 177.257 176.870 0.000 0.000 1.128 142 L CA -0.041 54.802 54.840 0.004 0.000 0.868 142 L CB 0.198 42.258 42.059 0.001 0.000 1.006 142 L HN -0.740 7.490 8.230 0.000 0.000 0.454 143 G N -1.391 107.407 108.800 -0.004 0.000 2.176 143 G HA2 -0.377 3.578 3.960 -0.009 0.000 0.252 143 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.252 143 G C 0.032 174.929 174.900 -0.006 0.000 1.024 143 G CA 0.357 45.454 45.100 -0.006 0.000 0.755 143 G HN -0.748 7.363 8.290 -0.006 0.175 0.507 144 L N -0.678 120.541 121.223 -0.008 0.000 2.483 144 L HA -0.092 4.245 4.340 -0.006 0.000 0.276 144 L C -0.306 176.560 176.870 -0.008 0.000 1.213 144 L CA 0.798 55.634 54.840 -0.008 0.000 0.843 144 L CB 1.195 43.248 42.059 -0.010 0.000 1.107 144 L HN -0.449 7.750 8.230 -0.009 0.026 0.487 145 K N 4.108 124.504 120.400 -0.006 0.000 2.355 145 K HA -0.081 4.236 4.320 -0.005 0.000 0.270 145 K C -0.538 176.059 176.600 -0.005 0.000 1.003 145 K CA 0.257 56.541 56.287 -0.005 0.000 0.957 145 K CB 0.480 32.978 32.500 -0.003 0.000 0.939 145 K HN 0.008 8.255 8.250 -0.005 0.000 0.482 146 I N 3.310 123.877 120.570 -0.005 0.000 2.412 146 I HA 0.061 4.228 4.170 -0.005 0.000 0.296 146 I C -0.589 175.528 176.117 -0.001 0.000 0.987 146 I CA -1.109 60.189 61.300 -0.004 0.000 1.180 146 I CB 1.344 39.340 38.000 -0.007 0.000 1.340 146 I HN -0.042 8.165 8.210 -0.005 0.000 0.455 147 I N 6.183 126.754 120.570 0.002 0.000 2.471 147 I HA -0.138 4.035 4.170 0.005 0.000 0.286 147 I C -0.543 175.579 176.117 0.008 0.000 1.079 147 I CA 0.028 61.331 61.300 0.006 0.000 1.398 147 I CB 0.526 38.532 38.000 0.009 0.000 1.403 147 I HN 0.200 8.410 8.210 0.001 0.000 0.530 148 D N 8.911 129.316 120.400 0.008 0.000 2.479 148 D HA 0.198 4.843 4.640 0.008 0.000 0.218 148 D C 0.578 176.887 176.300 0.015 0.000 1.131 148 D CA -0.412 53.594 54.000 0.009 0.000 0.916 148 D CB -0.560 40.244 40.800 0.006 0.000 1.022 148 D HN 0.348 8.722 8.370 0.007 0.000 0.515 149 L N 2.456 123.692 121.223 0.022 0.000 2.313 149 L HA -0.094 4.262 4.340 0.027 0.000 0.214 149 L C 0.854 177.743 176.870 0.031 0.000 1.119 149 L CA 1.459 56.317 54.840 0.030 0.000 0.809 149 L CB 0.051 42.136 42.059 0.044 0.000 0.933 149 L HN -0.230 8.013 8.230 0.021 0.000 0.449 150 S N -2.317 113.398 115.700 0.026 0.000 2.650 150 S HA -0.159 4.329 4.470 0.030 0.000 0.219 150 S C -0.205 174.404 174.600 0.014 0.000 0.960 150 S CA 0.281 58.495 58.200 0.023 0.000 0.925 150 S CB -0.817 62.393 63.200 0.016 0.000 0.775 150 S HN -0.076 8.212 8.310 0.022 0.034 0.525 151 A N 0.804 123.632 122.820 0.013 0.000 2.610 151 A HA 0.203 4.527 4.320 0.007 0.000 0.286 151 A C -0.583 177.007 177.584 0.009 0.000 1.306 151 A CA -0.669 51.373 52.037 0.009 0.000 0.942 151 A CB 0.319 19.323 19.000 0.007 0.000 1.112 151 A HN -0.570 7.481 8.150 0.016 0.108 0.527 152 I N -0.709 119.868 120.570 0.011 0.000 2.882 152 I HA -0.166 4.009 4.170 0.008 0.000 0.286 152 I C -0.068 176.052 176.117 0.006 0.000 1.139 152 I CA 0.758 62.063 61.300 0.009 0.000 1.379 152 I CB 1.049 39.055 38.000 0.010 0.000 1.410 152 I HN -0.430 7.707 8.210 0.015 0.082 0.594 153 Q N -0.271 119.532 119.800 0.004 0.000 2.215 153 Q HA 0.098 4.440 4.340 0.002 0.000 0.257 153 Q C -1.371 174.630 176.000 0.002 0.000 0.792 153 Q CA 0.057 55.862 55.803 0.003 0.000 0.958 153 Q CB 1.523 30.264 28.738 0.004 0.000 1.158 153 Q HN 0.319 8.591 8.270 0.004 0.000 0.490 154 D N 0.909 121.309 120.400 0.001 0.000 2.278 154 D HA 0.173 4.814 4.640 0.001 0.000 0.245 154 D C -1.203 175.093 176.300 -0.007 0.000 1.052 154 D CA -0.794 53.206 54.000 0.000 0.000 0.834 154 D CB 1.136 41.938 40.800 0.004 0.000 1.194 154 D HN -0.296 8.075 8.370 0.002 0.000 0.481 155 E N 2.875 123.069 120.200 -0.009 0.000 2.328 155 E HA 0.024 4.599 4.350 -0.026 -0.240 0.265 155 E C -0.339 176.243 176.600 -0.031 0.000 1.057 155 E CA 0.602 56.989 56.400 -0.021 0.000 0.916 155 E CB -0.003 29.687 29.700 -0.017 0.000 0.993 155 E HN 0.318 8.675 8.360 -0.005 0.000 0.446 156 V N -1.118 118.768 119.914 -0.047 0.000 3.156 156 V HA 0.484 4.566 4.120 -0.063 0.000 0.310 156 V C -1.939 174.100 176.094 -0.091 0.000 1.234 156 V CA -2.520 59.744 62.300 -0.060 0.000 1.065 156 V CB 3.240 35.039 31.823 -0.041 0.000 1.088 156 V HN -0.472 7.689 8.190 -0.049 0.000 0.451 157 I N -1.911 118.599 120.570 -0.100 0.000 2.532 157 I HA 0.003 4.073 4.170 -0.166 0.000 0.292 157 I C -1.316 174.752 176.117 -0.082 0.000 1.014 157 I CA -0.310 60.918 61.300 -0.121 0.000 1.340 157 I CB 0.877 38.806 38.000 -0.118 0.000 1.422 157 I HN -0.094 8.060 8.210 -0.094 0.000 0.528 158 L N 6.434 127.607 121.223 -0.084 0.000 2.264 158 L HA 0.260 4.601 4.340 0.002 0.000 0.289 158 L C -2.182 174.704 176.870 0.026 0.000 1.044 158 L CA -0.619 54.219 54.840 -0.002 0.000 0.807 158 L CB 1.658 43.753 42.059 0.061 0.000 1.192 158 L HN -0.285 7.855 8.230 -0.150 0.000 0.425 159 V N 7.722 127.652 119.914 0.026 0.000 2.487 159 V HA 0.972 5.383 4.120 0.036 -0.269 0.298 159 V C -1.809 174.306 176.094 0.036 0.000 1.028 159 V CA -2.392 59.925 62.300 0.028 0.000 0.860 159 V CB 2.368 34.196 31.823 0.009 0.000 0.991 159 V HN -0.258 7.944 8.190 0.020 0.000 0.427 160 A N 4.403 127.247 122.820 0.041 0.000 2.605 160 A HA 0.420 4.757 4.320 0.028 0.000 0.294 160 A C -1.663 175.939 177.584 0.030 0.000 1.062 160 A CA -0.680 51.378 52.037 0.036 0.000 0.682 160 A CB 3.425 22.453 19.000 0.047 0.000 1.278 160 A HN -0.271 7.906 8.150 0.045 0.000 0.410 161 A N -0.197 122.636 122.820 0.022 0.000 1.978 161 A HA -0.179 4.321 4.320 0.015 -0.171 0.220 161 A C -1.217 176.378 177.584 0.019 0.000 1.170 161 A CA 1.862 53.908 52.037 0.016 0.000 0.636 161 A CB 0.287 19.294 19.000 0.011 0.000 0.810 161 A HN 0.486 8.647 8.150 0.020 0.000 0.448 162 D N -5.920 114.494 120.400 0.023 0.000 2.766 162 D HA -0.032 4.625 4.640 0.028 0.000 0.244 162 D C -1.936 174.382 176.300 0.030 0.000 1.198 162 D CA -0.352 53.663 54.000 0.024 0.000 0.739 162 D CB 1.167 41.975 40.800 0.013 0.000 1.379 162 D HN -0.582 7.784 8.370 0.025 0.019 0.437 163 L N 0.912 122.157 121.223 0.038 0.000 2.365 163 L HA 0.335 4.700 4.340 0.041 0.000 0.273 163 L C 0.071 176.962 176.870 0.036 0.000 1.000 163 L CA -1.431 53.437 54.840 0.046 0.000 0.819 163 L CB 3.004 45.103 42.059 0.068 0.000 1.284 163 L HN 0.047 8.299 8.230 0.038 0.000 0.418 164 T N -1.266 113.301 114.554 0.021 0.000 2.909 164 T HA 0.407 4.736 4.350 -0.036 0.000 0.286 164 T C -0.729 173.963 174.700 -0.013 0.000 1.002 164 T CA -2.588 59.504 62.100 -0.014 0.000 1.074 164 T CB 0.586 69.441 68.868 -0.023 0.000 0.984 164 T HN -0.219 8.211 8.240 0.026 -0.174 0.495 165 P HA -0.265 3.855 4.420 -0.499 0.000 0.219 165 P C 1.800 179.224 177.300 0.207 0.000 1.161 165 P CA 3.102 66.086 63.100 -0.193 0.000 0.909 165 P CB 0.100 31.590 31.700 -0.351 0.000 0.793 166 S N -2.907 112.956 115.700 0.271 0.000 2.359 166 S HA -0.431 4.108 4.470 0.116 0.000 0.222 166 S C 2.043 176.689 174.600 0.077 0.000 1.038 166 S CA 4.565 62.875 58.200 0.184 0.000 1.051 166 S CB -0.607 62.672 63.200 0.132 0.000 0.944 166 S HN 0.225 8.654 8.310 0.198 0.000 0.433 167 E N -0.474 119.768 120.200 0.071 0.000 2.130 167 E HA -0.452 3.927 4.350 0.049 0.000 0.196 167 E C 2.334 178.995 176.600 0.101 0.000 0.998 167 E CA 3.007 59.446 56.400 0.066 0.000 0.806 167 E CB -0.251 29.484 29.700 0.058 0.000 0.738 167 E HN -0.629 7.769 8.360 0.064 0.000 0.459 168 T N -2.169 112.463 114.554 0.131 0.000 2.904 168 T HA -0.234 4.211 4.350 0.158 0.000 0.267 168 T C 1.321 176.170 174.700 0.248 0.000 1.059 168 T CA 2.843 65.050 62.100 0.177 0.000 1.137 168 T CB -0.390 68.615 68.868 0.227 0.000 0.879 168 T HN -0.173 8.051 8.240 0.119 0.087 0.467 169 A N 2.167 125.117 122.820 0.217 0.000 2.015 169 A HA -0.207 4.412 4.320 0.499 0.000 0.219 169 A C 1.209 178.875 177.584 0.136 0.000 1.163 169 A CA 2.274 54.448 52.037 0.228 0.000 0.646 169 A CB 0.051 19.005 19.000 -0.078 0.000 0.806 169 A HN 0.362 8.388 8.150 0.176 0.230 0.448 170 Q N -6.156 113.688 119.800 0.074 0.000 2.282 170 Q HA 0.022 4.375 4.340 0.020 0.000 0.206 170 Q C 0.183 176.224 176.000 0.069 0.000 0.878 170 Q CA -0.567 55.260 55.803 0.040 0.000 0.944 170 Q CB 1.118 29.858 28.738 0.003 0.000 1.100 170 Q HN -0.526 7.666 8.270 0.074 0.123 0.509 171 L N 0.699 121.993 121.223 0.117 0.000 2.499 171 L HA -0.144 4.260 4.340 0.106 0.000 0.281 171 L C -0.883 176.059 176.870 0.119 0.000 1.234 171 L CA 0.840 55.760 54.840 0.133 0.000 0.839 171 L CB 0.744 42.919 42.059 0.193 0.000 1.104 171 L HN -0.694 7.447 8.230 0.145 0.175 0.500 172 N N 3.079 121.841 118.700 0.104 0.000 2.439 172 N HA 0.086 4.857 4.740 0.052 0.000 0.249 172 N C 0.174 175.746 175.510 0.103 0.000 1.003 172 N CA -0.343 52.750 53.050 0.073 0.000 0.942 172 N CB 0.408 38.920 38.487 0.043 0.000 1.115 172 N HN 0.365 8.807 8.380 0.104 0.000 0.505 173 L N 1.385 122.670 121.223 0.102 0.000 2.478 173 L HA -0.127 4.350 4.340 0.229 0.000 0.223 173 L C 0.329 177.238 176.870 0.064 0.000 1.140 173 L CA 1.428 56.352 54.840 0.140 0.000 0.842 173 L CB -0.412 41.725 42.059 0.130 0.000 0.953 173 L HN 0.408 8.677 8.230 0.064 0.000 0.452 174 K N -3.911 116.509 120.400 0.032 0.000 2.314 174 K HA -0.094 4.232 4.320 0.011 0.000 0.198 174 K C 0.674 177.275 176.600 0.002 0.000 1.045 174 K CA 1.278 57.572 56.287 0.011 0.000 0.988 174 K CB 0.079 32.581 32.500 0.004 0.000 0.783 174 K HN 0.009 8.222 8.250 0.032 0.056 0.484 175 K N -3.594 116.809 120.400 0.004 0.000 2.360 175 K HA 0.081 4.394 4.320 -0.011 0.000 0.196 175 K C -1.320 175.261 176.600 -0.031 0.000 1.049 175 K CA 0.072 56.354 56.287 -0.008 0.000 1.049 175 K CB 1.443 33.945 32.500 0.003 0.000 0.881 175 K HN -0.518 7.712 8.250 0.019 0.031 0.542 176 V N 0.126 120.013 119.914 -0.045 0.000 2.407 176 V HA 0.028 4.071 4.120 -0.129 0.000 0.278 176 V C -0.435 175.524 176.094 -0.225 0.000 1.037 176 V CA 0.085 62.300 62.300 -0.141 0.000 0.900 176 V CB 0.664 32.398 31.823 -0.148 0.000 0.983 176 V HN -0.801 7.382 8.190 -0.011 0.000 0.459 177 L N 6.188 127.268 121.223 -0.239 0.000 2.567 177 L HA 0.174 4.422 4.340 -0.154 0.000 0.225 177 L C -0.422 176.252 176.870 -0.327 0.000 1.119 177 L CA -0.568 54.146 54.840 -0.209 0.000 0.871 177 L CB 1.035 43.020 42.059 -0.123 0.000 1.036 177 L HN -0.070 8.034 8.230 -0.211 0.000 0.459 178 G N -4.404 104.039 108.800 -0.594 0.000 2.328 178 G HA2 0.038 3.493 3.960 -0.842 0.000 0.295 178 G HA3 0.038 3.774 3.960 -0.373 0.000 0.295 178 G C -2.667 171.641 174.900 -0.988 0.000 1.413 178 G CA 0.518 45.178 45.100 -0.733 0.000 0.817 178 G HN -0.817 7.043 8.290 -0.625 0.055 0.546 179 F N -2.094 117.854 119.950 -0.004 0.000 2.529 179 F HA 0.507 5.035 4.527 0.002 0.000 0.320 179 F C -1.628 174.166 175.800 -0.010 0.000 1.118 179 F CA -1.426 56.573 58.000 -0.000 0.000 0.915 179 F CB 3.627 42.632 39.000 0.009 0.000 1.161 179 F HN -0.421 7.840 8.300 -0.064 0.000 0.445 180 I N 2.882 123.530 120.570 0.131 0.000 2.517 180 I HA 0.618 5.033 4.170 0.073 -0.201 0.280 180 I C -1.247 174.906 176.117 0.061 0.000 1.061 180 I CA -0.772 60.569 61.300 0.068 0.000 1.091 180 I CB 2.105 40.114 38.000 0.014 0.000 1.205 180 I HN 0.766 9.051 8.210 0.125 0.000 0.459 181 T N 3.272 117.862 114.554 0.059 0.000 2.888 181 T HA 0.686 5.190 4.350 0.039 -0.130 0.288 181 T C -1.030 173.684 174.700 0.024 0.000 1.063 181 T CA -2.673 59.452 62.100 0.042 0.000 1.010 181 T CB 3.158 72.055 68.868 0.050 0.000 1.214 181 T HN -0.107 8.171 8.240 0.063 0.000 0.533 182 D N 1.827 122.237 120.400 0.017 0.000 3.139 182 D HA 0.325 5.097 4.640 0.006 -0.128 0.268 182 D C -1.227 175.077 176.300 0.007 0.000 1.322 182 D CA -0.071 53.934 54.000 0.009 0.000 0.940 182 D CB -0.860 39.944 40.800 0.006 0.000 1.050 182 D HN -0.233 8.149 8.370 0.020 0.000 0.503 183 A N -0.221 122.605 122.820 0.008 0.000 2.306 183 A HA 0.299 4.621 4.320 0.004 0.000 0.330 183 A C 0.434 178.019 177.584 0.001 0.000 1.146 183 A CA -1.568 50.472 52.037 0.005 0.000 0.827 183 A CB 2.275 21.279 19.000 0.007 0.000 1.178 183 A HN -0.672 7.419 8.150 0.011 0.066 0.490 184 G N -1.886 106.914 108.800 -0.002 0.000 2.476 184 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.218 184 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.218 184 G C 0.173 175.070 174.900 -0.005 0.000 1.164 184 G CA 1.768 46.866 45.100 -0.004 0.000 0.768 184 G HN 0.617 8.907 8.290 -0.001 0.000 0.560 185 G N -1.534 107.263 108.800 -0.006 0.000 2.284 185 G HA2 -0.348 3.605 3.960 -0.011 0.000 0.216 185 G HA3 -0.348 3.607 3.960 -0.008 0.000 0.216 185 G C 0.721 175.614 174.900 -0.012 0.000 1.009 185 G CA 0.087 45.181 45.100 -0.009 0.000 0.625 185 G HN -0.232 8.056 8.290 -0.005 -0.000 0.501 186 R N -1.124 119.370 120.500 -0.009 0.000 2.109 186 R HA -0.165 4.169 4.340 -0.010 0.000 0.227 186 R C -0.444 175.850 176.300 -0.010 0.000 1.132 186 R CA 2.136 58.230 56.100 -0.009 0.000 0.907 186 R CB -0.243 30.053 30.300 -0.007 0.000 0.825 186 R HN -0.155 8.035 8.270 -0.007 0.076 0.432 187 T N -7.398 107.152 114.554 -0.007 0.000 3.240 187 T HA 0.059 4.407 4.350 -0.004 0.000 0.248 187 T C -1.171 173.531 174.700 0.003 0.000 0.929 187 T CA -1.329 60.769 62.100 -0.002 0.000 0.939 187 T CB -0.782 68.086 68.868 -0.000 0.000 1.114 187 T HN -0.385 7.851 8.240 -0.006 0.000 0.558 188 S N 2.237 117.934 115.700 -0.005 0.000 2.465 188 S HA 0.018 4.498 4.470 0.017 0.000 0.279 188 S C 0.435 175.034 174.600 -0.002 0.000 1.201 188 S CA -1.156 57.045 58.200 0.002 0.000 1.053 188 S CB 1.547 64.740 63.200 -0.011 0.000 0.953 188 S HN -0.770 7.451 8.310 -0.014 0.081 0.488 189 H N 9.552 128.577 119.070 -0.076 0.000 2.352 189 H HA -0.314 4.174 4.556 -0.112 0.000 0.299 189 H C 1.491 176.732 175.328 -0.145 0.000 1.097 189 H CA 3.895 59.877 56.048 -0.109 0.000 1.311 189 H CB 0.014 29.715 29.762 -0.102 0.000 1.377 189 H HN 0.844 9.196 8.280 0.120 0.000 0.504 190 T N -3.042 111.435 114.554 -0.127 0.000 2.635 190 T HA -0.430 3.705 4.350 -0.359 0.000 0.267 190 T C 1.829 176.367 174.700 -0.269 0.000 1.040 190 T CA 4.125 66.078 62.100 -0.245 0.000 1.156 190 T CB -1.055 67.742 68.868 -0.119 0.000 0.863 190 T HN -0.371 7.861 8.240 -0.004 0.006 0.430 191 S N 1.383 116.989 115.700 -0.155 0.000 2.380 191 S HA -0.493 3.927 4.470 -0.084 0.000 0.229 191 S C 1.623 176.126 174.600 -0.161 0.000 1.043 191 S CA 3.403 61.533 58.200 -0.117 0.000 1.038 191 S CB -0.500 62.659 63.200 -0.069 0.000 0.872 191 S HN -0.796 7.450 8.310 -0.106 0.000 0.456 192 I N -0.124 120.309 120.570 -0.228 0.000 2.454 192 I HA -0.350 3.727 4.170 -0.154 0.000 0.254 192 I C 1.627 177.575 176.117 -0.282 0.000 1.156 192 I CA 2.838 63.990 61.300 -0.245 0.000 1.433 192 I CB -0.464 37.354 38.000 -0.304 0.000 1.082 192 I HN -0.051 7.930 8.210 -0.240 0.086 0.432 193 M N -0.752 118.614 119.600 -0.390 0.000 2.132 193 M HA -0.387 3.939 4.480 -0.256 0.000 0.263 193 M C 1.819 178.025 176.300 -0.157 0.000 1.065 193 M CA 3.957 59.062 55.300 -0.324 0.000 1.122 193 M CB -0.275 32.015 32.600 -0.517 0.000 1.365 193 M HN -0.060 7.803 8.290 -0.454 0.155 0.411 194 A N -0.357 122.369 122.820 -0.156 0.000 1.908 194 A HA -0.366 4.013 4.320 0.098 0.000 0.218 194 A C 2.147 179.739 177.584 0.013 0.000 1.181 194 A CA 3.245 55.283 52.037 0.003 0.000 0.627 194 A CB -0.710 18.306 19.000 0.028 0.000 0.818 194 A HN -0.088 7.923 8.150 -0.232 0.000 0.445 195 R N -2.436 118.049 120.500 -0.024 0.000 2.066 195 R HA -0.279 4.065 4.340 0.005 0.000 0.232 195 R C 2.649 178.955 176.300 0.010 0.000 1.131 195 R CA 2.452 58.547 56.100 -0.008 0.000 0.955 195 R CB 0.024 30.308 30.300 -0.026 0.000 0.851 195 R HN -0.288 7.944 8.270 -0.063 0.000 0.432 196 S N -1.544 114.161 115.700 0.009 0.000 2.383 196 S HA -0.235 4.259 4.470 0.039 0.000 0.227 196 S C 1.683 176.325 174.600 0.070 0.000 1.026 196 S CA 2.906 61.133 58.200 0.047 0.000 0.981 196 S CB 0.359 63.605 63.200 0.077 0.000 0.818 196 S HN -0.534 7.762 8.310 -0.023 0.000 0.472 197 L N -2.130 119.143 121.223 0.083 0.000 2.567 197 L HA 0.039 4.434 4.340 0.092 0.000 0.225 197 L C -0.377 176.547 176.870 0.090 0.000 1.119 197 L CA 0.234 55.137 54.840 0.104 0.000 0.871 197 L CB 0.262 42.419 42.059 0.163 0.000 1.036 197 L HN -0.185 8.085 8.230 0.067 0.000 0.459 198 E N -6.598 113.645 120.200 0.071 0.000 3.313 198 E HA -0.460 3.949 4.350 0.048 -0.031 0.283 198 E C -0.937 175.708 176.600 0.074 0.000 0.941 198 E CA 1.325 57.761 56.400 0.059 0.000 0.907 198 E CB -2.066 27.661 29.700 0.045 0.000 1.458 198 E HN -0.116 8.033 8.360 0.060 0.246 0.463 199 L N -2.192 119.100 121.223 0.115 0.000 2.461 199 L HA 0.000 4.384 4.340 0.073 0.000 0.272 199 L C -1.928 175.006 176.870 0.105 0.000 1.197 199 L CA -1.403 53.506 54.840 0.116 0.000 0.836 199 L CB -0.387 41.783 42.059 0.186 0.000 1.105 199 L HN -0.660 7.551 8.230 0.141 0.104 0.477 200 P HA -0.166 4.326 4.420 0.035 -0.051 0.266 200 P C -1.893 175.447 177.300 0.066 0.000 1.195 200 P CA 0.113 63.233 63.100 0.034 0.000 0.768 200 P CB 0.115 31.808 31.700 -0.011 0.000 0.838 201 A N 0.113 122.975 122.820 0.069 0.000 2.599 201 A HA 0.608 5.083 4.320 0.103 -0.093 0.290 201 A C -2.198 175.419 177.584 0.056 0.000 1.101 201 A CA -0.834 51.268 52.037 0.108 0.000 0.674 201 A CB 3.829 22.950 19.000 0.202 0.000 1.277 201 A HN -0.434 7.809 8.150 0.046 -0.066 0.419 202 I N -3.326 117.279 120.570 0.057 0.000 2.918 202 I HA 0.295 4.476 4.170 0.018 0.000 0.301 202 I C -1.484 174.651 176.117 0.031 0.000 1.312 202 I CA -0.133 61.182 61.300 0.026 0.000 1.007 202 I CB 3.835 41.837 38.000 0.004 0.000 1.281 202 I HN -0.029 8.235 8.210 0.090 0.000 0.440 203 V N -0.420 119.503 119.914 0.015 0.000 3.245 203 V HA 0.457 4.727 4.120 0.024 -0.136 0.246 203 V C 1.094 177.191 176.094 0.005 0.000 1.487 203 V CA 0.787 63.096 62.300 0.014 0.000 1.154 203 V CB 0.909 32.737 31.823 0.008 0.000 0.971 203 V HN 0.206 8.401 8.190 0.007 0.000 0.443 204 G N 1.703 110.502 108.800 -0.001 0.000 3.397 204 G HA2 0.056 4.014 3.960 -0.004 0.000 0.248 204 G HA3 0.056 4.011 3.960 -0.008 0.000 0.248 204 G C 0.059 174.954 174.900 -0.009 0.000 1.284 204 G CA 0.417 45.514 45.100 -0.006 0.000 1.570 204 G HN 0.310 8.599 8.290 -0.002 0.000 0.587 205 T N -0.722 113.828 114.554 -0.006 0.000 3.051 205 T HA -0.238 4.101 4.350 -0.019 0.000 0.269 205 T C 0.802 175.495 174.700 -0.011 0.000 1.127 205 T CA 1.018 63.111 62.100 -0.011 0.000 1.107 205 T CB -0.013 68.852 68.868 -0.006 0.000 0.898 205 T HN -0.215 7.911 8.240 -0.000 0.114 0.517 206 G N 2.363 111.159 108.800 -0.007 0.000 3.879 206 G HA2 -0.405 3.552 3.960 -0.005 0.000 0.318 206 G HA3 -0.405 3.549 3.960 -0.009 0.000 0.318 206 G C -0.410 174.488 174.900 -0.004 0.000 1.344 206 G CA 1.359 46.455 45.100 -0.007 0.000 1.024 206 G HN -0.330 7.891 8.290 -0.005 0.066 0.681 207 S N 3.007 118.704 115.700 -0.005 0.000 2.751 207 S HA 0.243 4.740 4.470 -0.000 -0.027 0.247 207 S C 0.846 175.445 174.600 -0.002 0.000 1.103 207 S CA -1.210 56.989 58.200 -0.002 0.000 1.090 207 S CB 1.635 64.833 63.200 -0.002 0.000 0.928 207 S HN -0.241 8.064 8.310 -0.008 0.000 0.502 208 V N 4.894 124.806 119.914 -0.004 0.000 2.490 208 V HA -0.292 3.825 4.120 -0.005 0.000 0.250 208 V C 1.022 177.117 176.094 0.002 0.000 1.061 208 V CA 3.845 66.143 62.300 -0.004 0.000 1.064 208 V CB -0.459 31.359 31.823 -0.007 0.000 0.670 208 V HN -0.296 8.089 8.190 -0.004 -0.197 0.461 209 T N -3.930 110.626 114.554 0.004 0.000 2.977 209 T HA -0.312 4.042 4.350 0.008 0.000 0.271 209 T C 0.804 175.508 174.700 0.006 0.000 1.105 209 T CA 3.112 65.216 62.100 0.007 0.000 1.116 209 T CB -0.610 68.263 68.868 0.009 0.000 0.878 209 T HN -0.415 7.948 8.240 0.003 -0.122 0.509 210 S N -1.822 113.881 115.700 0.005 0.000 2.572 210 S HA 0.029 4.503 4.470 0.006 0.000 0.228 210 S C 0.136 174.740 174.600 0.006 0.000 0.963 210 S CA 0.185 58.388 58.200 0.005 0.000 0.939 210 S CB 0.736 63.938 63.200 0.003 0.000 0.804 210 S HN -0.425 7.697 8.310 0.003 0.190 0.480 211 Q N -1.021 118.782 119.800 0.006 0.000 2.081 211 Q HA 0.115 4.460 4.340 0.009 0.000 0.220 211 Q C -0.751 175.256 176.000 0.012 0.000 0.775 211 Q CA -0.274 55.534 55.803 0.008 0.000 0.983 211 Q CB 2.424 31.165 28.738 0.005 0.000 1.188 211 Q HN -0.118 7.964 8.270 0.006 0.191 0.458 212 V N 0.045 119.966 119.914 0.012 0.000 2.914 212 V HA 0.053 4.185 4.120 0.020 0.000 0.314 212 V C -1.527 174.576 176.094 0.016 0.000 1.084 212 V CA -1.622 60.687 62.300 0.015 0.000 0.963 212 V CB 2.592 34.422 31.823 0.012 0.000 1.025 212 V HN -0.651 7.545 8.190 0.010 0.000 0.432 213 K N 1.915 122.327 120.400 0.020 0.000 2.306 213 K HA 0.383 4.713 4.320 0.016 0.000 0.236 213 K C -1.426 175.186 176.600 0.019 0.000 1.013 213 K CA -2.676 53.622 56.287 0.019 0.000 0.857 213 K CB 2.747 35.260 32.500 0.022 0.000 1.214 213 K HN 0.173 8.707 8.250 0.024 -0.270 0.449 214 N N 1.394 120.104 118.700 0.017 0.000 2.482 214 N HA -0.225 4.681 4.740 0.012 -0.158 0.260 214 N C 0.039 175.562 175.510 0.022 0.000 1.236 214 N CA 0.810 53.870 53.050 0.016 0.000 0.938 214 N CB -0.065 38.430 38.487 0.014 0.000 1.128 214 N HN 0.006 8.396 8.380 0.016 0.000 0.448 215 D N -3.778 116.635 120.400 0.021 0.000 2.792 215 D HA -0.519 4.139 4.640 0.030 0.000 0.192 215 D C -0.850 175.484 176.300 0.057 0.000 1.007 215 D CA 2.192 56.213 54.000 0.035 0.000 1.020 215 D CB -0.520 40.303 40.800 0.039 0.000 1.089 215 D HN 0.930 9.204 8.370 0.013 0.103 0.438 216 D N -0.464 119.965 120.400 0.049 0.000 2.472 216 D HA -0.122 4.575 4.640 0.096 0.000 0.237 216 D C -1.007 175.352 176.300 0.098 0.000 1.141 216 D CA 1.219 55.265 54.000 0.077 0.000 0.875 216 D CB 1.012 41.844 40.800 0.055 0.000 1.192 216 D HN -0.733 7.562 8.370 0.033 0.095 0.450 217 Y N 4.191 124.512 120.300 0.035 0.000 2.452 217 Y HA -0.073 4.505 4.550 0.047 0.000 0.348 217 Y C -2.011 173.924 175.900 0.057 0.000 0.985 217 Y CA 1.078 59.206 58.100 0.047 0.000 1.214 217 Y CB 0.481 38.971 38.460 0.049 0.000 1.136 217 Y HN 0.328 8.759 8.280 0.252 0.000 0.523 218 L N 6.294 127.395 121.223 -0.203 0.000 2.354 218 L HA 0.736 5.308 4.340 0.097 -0.173 0.269 218 L C -1.271 175.514 176.870 -0.141 0.000 1.005 218 L CA -1.990 52.817 54.840 -0.056 0.000 0.819 218 L CB 4.010 46.037 42.059 -0.053 0.000 1.311 218 L HN -0.368 7.613 8.230 -0.415 0.000 0.423 219 I N -0.354 120.227 120.570 0.017 0.000 2.362 219 I HA 0.307 4.358 4.170 -0.198 0.000 0.289 219 I C -1.538 174.536 176.117 -0.071 0.000 0.994 219 I CA -1.077 60.190 61.300 -0.056 0.000 1.158 219 I CB 2.259 40.308 38.000 0.082 0.000 1.315 219 I HN -0.278 8.005 8.210 0.121 0.000 0.451 220 L N 7.264 128.367 121.223 -0.199 0.000 2.260 220 L HA 0.310 4.599 4.340 -0.086 0.000 0.289 220 L C -1.701 175.079 176.870 -0.151 0.000 1.057 220 L CA -0.583 54.172 54.840 -0.142 0.000 0.811 220 L CB 1.871 43.839 42.059 -0.152 0.000 1.184 220 L HN 0.431 8.472 8.230 -0.315 0.000 0.429 221 D N 8.888 129.252 120.400 -0.060 0.000 2.262 221 D HA -0.047 4.552 4.640 -0.069 0.000 0.212 221 D C 0.400 176.677 176.300 -0.037 0.000 0.964 221 D CA 0.716 54.698 54.000 -0.030 0.000 0.875 221 D CB 0.661 41.503 40.800 0.070 0.000 0.996 221 D HN -0.151 8.196 8.370 -0.040 0.000 0.497 222 A N -3.819 118.978 122.820 -0.037 0.000 2.732 222 A HA -0.422 3.884 4.320 -0.023 0.000 0.291 222 A C -0.936 176.641 177.584 -0.011 0.000 1.440 222 A CA 1.709 53.731 52.037 -0.025 0.000 0.967 222 A CB -1.273 17.711 19.000 -0.028 0.000 0.946 222 A HN 0.372 8.496 8.150 -0.044 0.000 0.580 223 V N -3.031 116.880 119.914 -0.004 0.000 2.870 223 V HA -0.078 4.046 4.120 0.005 0.000 0.232 223 V C 0.982 177.082 176.094 0.009 0.000 1.161 223 V CA 2.083 64.388 62.300 0.007 0.000 1.204 223 V CB 0.735 32.569 31.823 0.017 0.000 1.003 223 V HN -0.281 7.821 8.190 -0.003 0.087 0.499 224 N N 0.124 118.833 118.700 0.015 0.000 2.313 224 N HA 0.040 4.786 4.740 0.009 0.000 0.207 224 N C -1.216 174.286 175.510 -0.014 0.000 1.141 224 N CA -0.970 52.086 53.050 0.009 0.000 0.830 224 N CB -0.040 38.464 38.487 0.029 0.000 1.008 224 N HN -0.377 8.320 8.380 0.025 -0.302 0.481 225 N N -3.701 114.987 118.700 -0.021 0.000 2.671 225 N HA -0.353 4.367 4.740 -0.034 0.000 0.261 225 N C -2.280 173.189 175.510 -0.068 0.000 1.053 225 N CA 1.566 54.594 53.050 -0.036 0.000 0.732 225 N CB -0.696 37.774 38.487 -0.027 0.000 0.887 225 N HN 0.034 8.384 8.380 -0.012 0.022 0.546 226 Q N -1.881 117.860 119.800 -0.098 0.000 2.353 226 Q HA 0.432 4.845 4.340 -0.181 -0.181 0.275 226 Q C -2.489 173.355 176.000 -0.260 0.000 1.029 226 Q CA -0.828 54.853 55.803 -0.203 0.000 0.848 226 Q CB 4.247 32.827 28.738 -0.263 0.000 1.390 226 Q HN -0.251 7.975 8.270 -0.073 0.000 0.401 227 V N 2.648 122.382 119.914 -0.300 0.000 2.513 227 V HA 0.460 4.643 4.120 -0.137 -0.145 0.299 227 V C -0.635 175.247 176.094 -0.353 0.000 1.035 227 V CA -2.380 59.785 62.300 -0.225 0.000 0.889 227 V CB 1.451 33.207 31.823 -0.112 0.000 0.988 227 V HN 0.299 8.320 8.190 -0.282 0.000 0.440 228 Y N 5.560 125.858 120.300 -0.004 0.000 2.330 228 Y HA 0.091 4.655 4.550 0.022 0.000 0.336 228 Y C -0.929 174.996 175.900 0.043 0.000 1.036 228 Y CA -0.696 57.419 58.100 0.026 0.000 1.125 228 Y CB 1.581 40.068 38.460 0.045 0.000 1.194 228 Y HN -0.228 8.144 8.280 0.153 0.000 0.469 229 V N 3.445 123.460 119.914 0.168 0.000 2.370 229 V HA 0.046 4.243 4.120 0.129 0.000 0.283 229 V C -0.332 175.849 176.094 0.146 0.000 1.023 229 V CA -0.995 61.381 62.300 0.128 0.000 0.857 229 V CB 0.782 32.646 31.823 0.069 0.000 0.985 229 V HN 0.236 8.517 8.190 0.150 0.000 0.443 230 N N 4.998 123.796 118.700 0.165 0.000 2.714 230 N HA -0.237 4.592 4.740 0.148 0.000 0.253 230 N C -1.892 173.684 175.510 0.110 0.000 1.024 230 N CA 0.343 53.472 53.050 0.132 0.000 0.726 230 N CB -0.261 38.278 38.487 0.086 0.000 0.908 230 N HN -0.175 8.318 8.380 0.189 0.000 0.542 231 P HA 0.172 4.644 4.420 0.087 0.000 0.275 231 P C -1.538 175.763 177.300 0.001 0.000 1.228 231 P CA -0.258 62.889 63.100 0.079 0.000 0.786 231 P CB 0.984 32.740 31.700 0.094 0.000 0.927 232 T N -0.810 113.736 114.554 -0.014 0.000 2.898 232 T HA -0.070 4.253 4.350 -0.044 0.000 0.301 232 T C 1.096 175.757 174.700 -0.065 0.000 1.049 232 T CA -1.008 61.069 62.100 -0.039 0.000 1.095 232 T CB 0.809 69.662 68.868 -0.025 0.000 0.976 232 T HN -0.209 8.029 8.240 -0.003 0.000 0.539 233 N N 3.076 121.727 118.700 -0.081 0.000 2.094 233 N HA -0.413 4.255 4.740 -0.120 0.000 0.191 233 N C 2.018 177.489 175.510 -0.064 0.000 1.023 233 N CA 3.409 56.405 53.050 -0.091 0.000 0.857 233 N CB -0.385 38.051 38.487 -0.085 0.000 1.013 233 N HN 0.474 8.809 8.380 -0.076 0.000 0.426 234 E N -1.406 118.764 120.200 -0.051 0.000 2.130 234 E HA -0.298 4.028 4.350 -0.039 0.000 0.196 234 E C 2.351 178.924 176.600 -0.045 0.000 0.998 234 E CA 2.807 59.182 56.400 -0.041 0.000 0.806 234 E CB -0.335 29.346 29.700 -0.032 0.000 0.738 234 E HN 0.486 8.808 8.360 -0.048 0.009 0.459 235 V N -0.325 119.556 119.914 -0.056 0.000 2.379 235 V HA -0.334 3.739 4.120 -0.080 0.000 0.245 235 V C 1.763 177.818 176.094 -0.064 0.000 1.044 235 V CA 3.036 65.287 62.300 -0.082 0.000 1.036 235 V CB -0.604 31.147 31.823 -0.121 0.000 0.664 235 V HN -0.287 7.747 8.190 -0.054 0.123 0.453 236 I N 1.902 122.447 120.570 -0.041 0.000 2.076 236 I HA -0.667 3.554 4.170 0.086 0.000 0.237 236 I C 1.557 177.676 176.117 0.003 0.000 1.059 236 I CA 5.107 66.415 61.300 0.015 0.000 1.317 236 I CB -0.662 37.323 38.000 -0.025 0.000 1.037 236 I HN -0.203 7.905 8.210 -0.054 0.070 0.398 237 D N -1.150 119.230 120.400 -0.033 0.000 2.172 237 D HA -0.398 4.213 4.640 -0.048 0.000 0.196 237 D C 2.314 178.602 176.300 -0.020 0.000 0.999 237 D CA 4.127 58.105 54.000 -0.036 0.000 0.856 237 D CB -0.269 40.507 40.800 -0.041 0.000 0.934 237 D HN -0.032 8.310 8.370 -0.046 0.000 0.453 238 K N -1.698 118.690 120.400 -0.019 0.000 2.097 238 K HA -0.243 4.071 4.320 -0.011 0.000 0.205 238 K C 2.023 178.628 176.600 0.008 0.000 1.050 238 K CA 2.960 59.239 56.287 -0.013 0.000 0.938 238 K CB 0.021 32.504 32.500 -0.029 0.000 0.718 238 K HN -0.681 7.444 8.250 -0.028 0.108 0.442 239 M N -1.125 118.493 119.600 0.029 0.000 2.236 239 M HA -0.262 4.256 4.480 0.065 0.000 0.266 239 M C 2.293 178.692 176.300 0.166 0.000 1.070 239 M CA 3.483 58.842 55.300 0.099 0.000 1.137 239 M CB 0.140 32.821 32.600 0.135 0.000 1.378 239 M HN -0.325 7.871 8.290 0.017 0.104 0.426 240 R N -1.903 118.658 120.500 0.101 0.000 2.127 240 R HA -0.254 4.073 4.340 -0.023 0.000 0.238 240 R C 2.443 178.749 176.300 0.009 0.000 1.134 240 R CA 2.906 58.996 56.100 -0.016 0.000 0.975 240 R CB -0.900 29.311 30.300 -0.149 0.000 0.865 240 R HN 0.435 8.747 8.270 0.069 0.000 0.447 241 A N -0.637 122.192 122.820 0.014 0.000 1.831 241 A HA -0.164 4.156 4.320 -0.000 0.000 0.213 241 A C 1.529 179.133 177.584 0.033 0.000 1.223 241 A CA 2.656 54.700 52.037 0.011 0.000 0.604 241 A CB -0.395 18.607 19.000 0.003 0.000 0.878 241 A HN -0.723 7.417 8.150 0.014 0.019 0.450 242 V N 0.359 120.296 119.914 0.039 0.000 2.231 242 V HA -0.515 3.797 4.120 0.033 -0.172 0.250 242 V C 2.095 178.227 176.094 0.063 0.000 1.058 242 V CA 4.416 66.742 62.300 0.044 0.000 1.022 242 V CB -0.562 31.285 31.823 0.041 0.000 0.640 242 V HN -0.664 7.546 8.190 0.033 0.000 0.445 243 Q N -1.307 118.554 119.800 0.102 0.000 1.998 243 Q HA -0.511 3.891 4.340 0.104 0.000 0.209 243 Q C 2.784 178.848 176.000 0.107 0.000 1.002 243 Q CA 3.509 59.394 55.803 0.136 0.000 0.858 243 Q CB -0.325 28.587 28.738 0.290 0.000 0.932 243 Q HN 0.040 8.380 8.270 0.116 0.000 0.416 244 E N -0.585 119.671 120.200 0.095 0.000 2.265 244 E HA -0.343 4.046 4.350 0.066 0.000 0.196 244 E C 2.090 178.713 176.600 0.039 0.000 0.996 244 E CA 2.431 58.865 56.400 0.056 0.000 0.832 244 E CB -0.467 29.247 29.700 0.023 0.000 0.756 244 E HN -0.567 7.854 8.360 0.102 0.000 0.491 245 Q N -0.728 119.094 119.800 0.038 0.000 2.291 245 Q HA -0.253 4.100 4.340 0.020 0.000 0.205 245 Q C 2.399 178.416 176.000 0.028 0.000 0.970 245 Q CA 2.846 58.665 55.803 0.027 0.000 0.876 245 Q CB -0.184 28.568 28.738 0.024 0.000 0.935 245 Q HN 0.337 8.383 8.270 0.045 0.251 0.455 246 V N 0.496 120.432 119.914 0.037 0.000 2.323 246 V HA -0.376 3.760 4.120 0.028 0.000 0.244 246 V C 1.485 177.597 176.094 0.030 0.000 1.041 246 V CA 3.723 66.043 62.300 0.033 0.000 1.025 246 V CB -0.282 31.565 31.823 0.039 0.000 0.656 246 V HN -0.002 8.031 8.190 0.047 0.185 0.451 247 A N -1.422 121.419 122.820 0.035 0.000 1.933 247 A HA -0.355 3.982 4.320 0.029 0.000 0.218 247 A C 2.177 179.774 177.584 0.022 0.000 1.175 247 A CA 3.274 55.329 52.037 0.030 0.000 0.628 247 A CB -1.129 17.892 19.000 0.034 0.000 0.814 247 A HN -0.580 7.596 8.150 0.044 0.000 0.444 248 S N -2.331 113.381 115.700 0.020 0.000 2.406 248 S HA -0.295 4.183 4.470 0.013 0.000 0.228 248 S C 1.905 176.514 174.600 0.014 0.000 1.020 248 S CA 3.135 61.344 58.200 0.015 0.000 0.965 248 S CB 0.013 63.220 63.200 0.012 0.000 0.798 248 S HN -0.230 8.000 8.310 0.024 0.094 0.488 249 E N 1.669 121.879 120.200 0.016 0.000 2.204 249 E HA -0.265 4.092 4.350 0.012 0.000 0.194 249 E C 1.438 178.046 176.600 0.014 0.000 0.989 249 E CA 2.176 58.585 56.400 0.014 0.000 0.824 249 E CB -0.088 29.622 29.700 0.016 0.000 0.756 249 E HN -0.310 7.857 8.360 0.019 0.204 0.477 250 K N -1.803 118.606 120.400 0.016 0.000 2.062 250 K HA -0.162 4.166 4.320 0.014 0.000 0.205 250 K C 2.482 179.089 176.600 0.012 0.000 1.051 250 K CA 2.550 58.846 56.287 0.015 0.000 0.941 250 K CB 0.212 32.722 32.500 0.017 0.000 0.719 250 K HN -0.260 7.860 8.250 0.018 0.140 0.440 251 A N -1.215 121.613 122.820 0.012 0.000 2.121 251 A HA -0.125 4.201 4.320 0.010 0.000 0.218 251 A C 0.950 178.539 177.584 0.009 0.000 1.154 251 A CA 2.425 54.468 52.037 0.010 0.000 0.679 251 A CB -0.829 18.176 19.000 0.010 0.000 0.795 251 A HN -0.343 7.743 8.150 0.014 0.072 0.458 252 E N -2.524 117.681 120.200 0.009 0.000 2.347 252 E HA -0.223 4.131 4.350 0.007 0.000 0.196 252 E C 2.202 178.807 176.600 0.008 0.000 1.008 252 E CA 1.531 57.935 56.400 0.008 0.000 0.852 252 E CB 0.105 29.810 29.700 0.008 0.000 0.783 252 E HN -0.450 7.820 8.360 0.010 0.096 0.505 253 L N 0.189 121.417 121.223 0.008 0.000 2.217 253 L HA -0.177 4.168 4.340 0.007 0.000 0.211 253 L C 0.882 177.756 176.870 0.007 0.000 1.107 253 L CA 2.671 57.516 54.840 0.008 0.000 0.783 253 L CB -0.008 42.056 42.059 0.009 0.000 0.919 253 L HN -0.262 7.785 8.230 0.009 0.188 0.442 254 A N -3.289 119.535 122.820 0.007 0.000 2.168 254 A HA -0.123 4.201 4.320 0.006 0.000 0.215 254 A C 0.802 178.389 177.584 0.005 0.000 1.152 254 A CA 2.239 54.279 52.037 0.006 0.000 0.716 254 A CB -0.827 18.177 19.000 0.006 0.000 0.794 254 A HN -0.518 7.488 8.150 0.008 0.149 0.465 255 K N -3.297 117.107 120.400 0.005 0.000 2.393 255 K HA 0.032 4.501 4.320 0.004 -0.146 0.193 255 K C 0.952 177.555 176.600 0.005 0.000 1.026 255 K CA 0.338 56.627 56.287 0.005 0.000 1.064 255 K CB 0.208 32.711 32.500 0.005 0.000 0.833 255 K HN -0.517 7.590 8.250 0.006 0.147 0.521 256 L N -0.859 120.367 121.223 0.005 0.000 2.650 256 L HA -0.198 4.145 4.340 0.004 0.000 0.235 256 L C 0.309 177.182 176.870 0.004 0.000 1.149 256 L CA 1.753 56.596 54.840 0.005 0.000 0.887 256 L CB -0.441 41.621 42.059 0.005 0.000 1.021 256 L HN -0.328 7.715 8.230 0.005 0.190 0.441 257 K N -2.611 117.792 120.400 0.004 0.000 2.334 257 K HA -0.035 4.287 4.320 0.004 0.000 0.195 257 K C 0.152 176.754 176.600 0.003 0.000 1.045 257 K CA 1.096 57.385 56.287 0.004 0.000 1.004 257 K CB 0.315 32.817 32.500 0.004 0.000 0.837 257 K HN -0.263 7.853 8.250 0.004 0.137 0.510 258 D N -1.445 118.957 120.400 0.003 0.000 2.339 258 D HA -0.009 4.633 4.640 0.003 0.000 0.217 258 D C 0.099 176.400 176.300 0.003 0.000 1.050 258 D CA 0.704 54.705 54.000 0.003 0.000 0.856 258 D CB 0.153 40.954 40.800 0.003 0.000 0.922 258 D HN -0.456 7.758 8.370 0.004 0.158 0.518 259 R N 0.000 120.502 120.500 0.003 0.000 2.786 259 R HA 0.000 4.342 4.340 0.003 0.000 0.208 259 R CA 0.000 56.102 56.100 0.003 0.000 0.921 259 R CB 0.000 30.302 30.300 0.003 0.000 0.687 259 R HN 0.000 8.077 8.270 0.003 0.195 0.535