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 3ezb_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 4.434 4.480 -0.077 0.000 0.227 1 M C 0.000 176.261 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.038 0.000 1.302 2 I N 3.059 123.576 120.570 -0.089 0.000 2.339 2 I HA 0.178 4.315 4.170 -0.055 0.000 0.290 2 I C -1.353 174.722 176.117 -0.069 0.000 0.994 2 I CA -0.347 60.909 61.300 -0.074 0.000 1.191 2 I CB 0.607 38.555 38.000 -0.087 0.000 1.343 2 I HN 0.216 8.352 8.210 -0.123 0.000 0.458 3 S N 6.381 122.053 115.700 -0.046 0.000 2.557 3 S HA 0.557 5.247 4.470 -0.042 -0.245 0.291 3 S C -0.630 173.954 174.600 -0.027 0.000 1.116 3 S CA -1.358 56.820 58.200 -0.037 0.000 0.992 3 S CB 2.858 66.041 63.200 -0.028 0.000 1.028 3 S HN 0.280 8.567 8.310 -0.039 0.000 0.484 4 G N 1.697 110.482 108.800 -0.023 0.000 3.075 4 G HA2 0.367 4.450 3.960 -0.013 0.000 0.253 4 G HA3 0.367 4.319 3.960 -0.014 0.000 0.253 4 G C -0.958 173.937 174.900 -0.009 0.000 1.353 4 G CA -1.857 43.234 45.100 -0.015 0.000 1.051 4 G HN -0.079 8.346 8.290 -0.026 -0.151 0.553 5 I N -0.289 120.279 120.570 -0.003 0.000 3.603 5 I HA -0.102 4.067 4.170 -0.002 0.000 0.297 5 I C -0.744 175.374 176.117 0.002 0.000 1.269 5 I CA 0.524 61.824 61.300 0.000 0.000 1.361 5 I CB 0.111 38.113 38.000 0.003 0.000 1.063 5 I HN 0.129 8.339 8.210 -0.001 0.000 0.448 6 L N -1.476 119.748 121.223 0.001 0.000 3.181 6 L HA -0.459 4.003 4.340 0.001 -0.121 0.603 6 L C -1.271 175.605 176.870 0.010 0.000 1.006 6 L CA 0.674 55.516 54.840 0.003 0.000 1.280 6 L CB -0.937 41.121 42.059 -0.002 0.000 1.439 6 L HN -0.423 7.765 8.230 -0.000 0.042 0.722 7 A N 5.849 128.682 122.820 0.021 0.000 1.930 7 A HA -0.022 4.310 4.320 0.020 0.000 0.215 7 A C -0.181 177.419 177.584 0.027 0.000 1.176 7 A CA 1.594 53.647 52.037 0.028 0.000 0.632 7 A CB 0.822 19.851 19.000 0.048 0.000 0.819 7 A HN 0.417 8.582 8.150 0.024 0.000 0.445 8 S N -3.655 112.060 115.700 0.026 0.000 2.540 8 S HA 0.505 4.986 4.470 0.018 0.000 0.275 8 S C -2.742 171.860 174.600 0.003 0.000 1.123 8 S CA -2.799 55.413 58.200 0.020 0.000 0.907 8 S CB 1.987 65.208 63.200 0.034 0.000 1.081 8 S HN -0.825 7.500 8.310 0.025 0.000 0.476 9 P HA 0.384 4.988 4.420 -0.010 -0.190 0.284 9 P C -0.603 176.689 177.300 -0.014 0.000 1.253 9 P CA -1.505 61.591 63.100 -0.007 0.000 0.800 9 P CB 1.090 32.790 31.700 -0.000 0.000 0.961 10 G N 0.607 109.392 108.800 -0.025 0.000 2.336 10 G HA2 -0.002 3.949 3.960 -0.015 0.000 0.286 10 G HA3 -0.002 3.935 3.960 -0.038 0.000 0.286 10 G C -3.199 171.665 174.900 -0.059 0.000 1.269 10 G CA -0.054 45.027 45.100 -0.032 0.000 0.873 10 G HN -0.641 7.633 8.290 -0.027 0.000 0.494 11 I N -0.676 119.847 120.570 -0.079 0.000 2.827 11 I HA 0.420 4.650 4.170 -0.212 -0.187 0.298 11 I C -1.781 174.181 176.117 -0.258 0.000 1.235 11 I CA -1.621 59.572 61.300 -0.178 0.000 1.021 11 I CB 3.695 41.629 38.000 -0.109 0.000 1.259 11 I HN 0.130 8.308 8.210 -0.053 0.000 0.427 12 A N 3.262 125.752 122.820 -0.550 0.000 2.612 12 A HA 0.479 4.716 4.320 -0.138 0.000 0.293 12 A C -3.109 173.988 177.584 -0.813 0.000 1.075 12 A CA -0.515 51.258 52.037 -0.440 0.000 0.680 12 A CB 3.537 22.395 19.000 -0.236 0.000 1.279 12 A HN 0.547 8.290 8.150 -0.677 0.000 0.411 13 F N -0.872 119.028 119.950 -0.083 0.000 2.557 13 F HA 0.812 5.212 4.527 -0.211 0.000 0.316 13 F C 0.343 176.013 175.800 -0.215 0.000 1.141 13 F CA -1.626 56.292 58.000 -0.135 0.000 0.922 13 F CB 3.150 42.170 39.000 0.034 0.000 1.194 13 F HN 0.090 8.554 8.300 0.273 0.000 0.443 14 G N 1.448 110.037 108.800 -0.352 0.000 2.320 14 G HA2 0.155 4.074 3.960 -0.069 0.000 0.296 14 G HA3 0.155 4.051 3.960 -0.107 0.000 0.296 14 G C -2.782 171.896 174.900 -0.371 0.000 1.306 14 G CA 0.478 45.433 45.100 -0.242 0.000 0.836 14 G HN 0.037 7.927 8.290 -0.666 0.000 0.517 15 K N -0.735 119.599 120.400 -0.111 0.000 2.126 15 K HA 0.541 5.002 4.320 -0.044 -0.168 0.257 15 K C -0.962 175.606 176.600 -0.054 0.000 1.007 15 K CA -0.323 55.940 56.287 -0.040 0.000 0.928 15 K CB 1.731 34.262 32.500 0.052 0.000 1.013 15 K HN 0.269 8.503 8.250 -0.027 0.000 0.473 16 A N 1.093 123.897 122.820 -0.026 0.000 2.276 16 A HA 0.295 4.713 4.320 -0.029 -0.115 0.316 16 A C -2.563 175.027 177.584 0.010 0.000 1.229 16 A CA -1.325 50.702 52.037 -0.017 0.000 0.851 16 A CB 1.776 20.766 19.000 -0.017 0.000 1.165 16 A HN 0.676 8.824 8.150 -0.002 0.000 0.513 17 L N 3.320 124.553 121.223 0.017 0.000 2.309 17 L HA 0.580 4.936 4.340 0.028 0.000 0.282 17 L C -2.319 174.569 176.870 0.029 0.000 1.036 17 L CA -1.047 53.811 54.840 0.029 0.000 0.806 17 L CB 3.169 45.251 42.059 0.039 0.000 1.220 17 L HN 0.459 8.699 8.230 0.015 0.000 0.429 18 L N 5.332 126.571 121.223 0.027 0.000 2.333 18 L HA 0.554 5.093 4.340 0.025 -0.184 0.280 18 L C -1.038 175.846 176.870 0.024 0.000 1.004 18 L CA -1.500 53.354 54.840 0.024 0.000 0.820 18 L CB 2.291 44.362 42.059 0.020 0.000 1.247 18 L HN 0.157 8.403 8.230 0.026 0.000 0.416 19 L N 7.605 128.843 121.223 0.024 0.000 2.312 19 L HA 0.113 4.467 4.340 0.022 0.000 0.287 19 L C -0.595 176.285 176.870 0.015 0.000 1.091 19 L CA -0.203 54.650 54.840 0.021 0.000 0.846 19 L CB -1.572 40.500 42.059 0.023 0.000 1.219 19 L HN -0.027 8.218 8.230 0.026 0.000 0.439 20 K N 4.574 124.982 120.400 0.014 0.000 2.172 20 K HA 0.116 4.441 4.320 0.009 0.000 0.276 20 K C -0.885 175.719 176.600 0.007 0.000 1.013 20 K CA -0.320 55.973 56.287 0.010 0.000 0.913 20 K CB 0.763 33.269 32.500 0.010 0.000 1.055 20 K HN 0.043 8.302 8.250 0.015 0.000 0.461 21 E N 2.159 122.361 120.200 0.004 0.000 2.256 21 E HA 0.201 4.551 4.350 0.001 0.000 0.268 21 E C -1.250 175.348 176.600 -0.002 0.000 0.877 21 E CA -0.977 55.423 56.400 0.000 0.000 0.757 21 E CB 1.852 31.551 29.700 -0.001 0.000 1.183 21 E HN 0.076 8.438 8.360 0.003 0.000 0.418 22 D N 3.233 123.631 120.400 -0.004 0.000 2.304 22 D HA 0.060 4.698 4.640 -0.004 0.000 0.247 22 D C -0.452 175.842 176.300 -0.010 0.000 1.089 22 D CA -0.095 53.902 54.000 -0.006 0.000 0.910 22 D CB 1.112 41.909 40.800 -0.005 0.000 1.199 22 D HN -0.029 8.339 8.370 -0.003 0.000 0.426 23 E N 0.614 120.807 120.200 -0.012 0.000 2.398 23 E HA -0.096 4.243 4.350 -0.019 0.000 0.263 23 E C 0.322 176.909 176.600 -0.022 0.000 1.046 23 E CA -0.055 56.335 56.400 -0.018 0.000 0.908 23 E CB 0.718 30.408 29.700 -0.016 0.000 0.963 23 E HN 0.021 8.376 8.360 -0.009 0.000 0.431 24 I N 5.082 125.633 120.570 -0.032 0.000 2.365 24 I HA 0.045 4.197 4.170 -0.029 0.000 0.291 24 I C -0.329 175.763 176.117 -0.042 0.000 1.004 24 I CA -0.428 60.849 61.300 -0.038 0.000 1.311 24 I CB 0.661 38.628 38.000 -0.054 0.000 1.401 24 I HN -0.004 8.185 8.210 -0.036 0.000 0.491 25 V N 7.290 127.184 119.914 -0.032 0.000 2.394 25 V HA 0.123 4.224 4.120 -0.031 0.000 0.282 25 V C -0.990 175.085 176.094 -0.030 0.000 1.031 25 V CA -0.700 61.583 62.300 -0.028 0.000 0.881 25 V CB 1.084 32.897 31.823 -0.017 0.000 0.982 25 V HN 0.223 8.398 8.190 -0.026 0.000 0.451 26 I N 7.544 128.093 120.570 -0.035 0.000 2.377 26 I HA 0.063 4.354 4.170 -0.023 -0.135 0.293 26 I C -0.992 175.119 176.117 -0.010 0.000 0.987 26 I CA -1.229 60.054 61.300 -0.028 0.000 1.185 26 I CB 1.690 39.661 38.000 -0.048 0.000 1.341 26 I HN 0.217 8.406 8.210 -0.036 0.000 0.455 27 D N 7.956 128.356 120.400 0.001 0.000 2.295 27 D HA 0.115 4.757 4.640 0.003 0.000 0.248 27 D C -0.168 176.138 176.300 0.010 0.000 1.154 27 D CA -0.194 53.809 54.000 0.006 0.000 0.857 27 D CB 0.549 41.355 40.800 0.011 0.000 1.117 27 D HN -0.023 8.643 8.370 0.004 -0.293 0.468 28 R N 2.350 122.855 120.500 0.008 0.000 2.310 28 R HA -0.077 4.272 4.340 0.015 0.000 0.202 28 R C -0.251 176.057 176.300 0.014 0.000 0.933 28 R CA -1.083 55.025 56.100 0.012 0.000 1.054 28 R CB -0.341 29.964 30.300 0.009 0.000 0.985 28 R HN 0.210 8.483 8.270 0.005 0.000 0.489 29 K N 1.279 121.687 120.400 0.013 0.000 2.355 29 K HA -0.060 4.267 4.320 0.011 0.000 0.270 29 K C -0.562 176.049 176.600 0.019 0.000 1.003 29 K CA -0.018 56.277 56.287 0.013 0.000 0.957 29 K CB 0.485 32.991 32.500 0.010 0.000 0.939 29 K HN -0.488 7.693 8.250 0.011 0.075 0.482 30 K N 1.506 121.918 120.400 0.020 0.000 2.118 30 K HA 0.063 4.408 4.320 0.042 0.000 0.264 30 K C 0.414 177.029 176.600 0.025 0.000 1.000 30 K CA -0.716 55.590 56.287 0.032 0.000 0.929 30 K CB 0.814 33.336 32.500 0.036 0.000 1.021 30 K HN -0.095 8.164 8.250 0.015 0.000 0.463 31 I N -2.052 118.542 120.570 0.040 0.000 2.934 31 I HA 0.373 4.682 4.170 0.012 -0.132 0.315 31 I C -0.207 175.899 176.117 -0.018 0.000 0.997 31 I CA -1.991 59.322 61.300 0.023 0.000 1.184 31 I CB 1.854 39.880 38.000 0.044 0.000 1.400 31 I HN 0.133 8.384 8.210 0.068 0.000 0.549 32 S N 2.654 118.330 115.700 -0.039 0.000 2.730 32 S HA 0.143 4.514 4.470 -0.165 0.000 0.284 32 S C 0.177 174.715 174.600 -0.105 0.000 1.153 32 S CA -1.705 56.434 58.200 -0.102 0.000 0.995 32 S CB 2.042 65.202 63.200 -0.067 0.000 1.058 32 S HN -0.359 8.149 8.310 -0.018 -0.208 0.552 33 A N 0.797 123.523 122.820 -0.156 0.000 1.883 33 A HA -0.266 4.032 4.320 -0.037 0.000 0.217 33 A C 2.142 179.718 177.584 -0.013 0.000 1.186 33 A CA 3.184 55.174 52.037 -0.078 0.000 0.624 33 A CB -1.143 17.811 19.000 -0.077 0.000 0.822 33 A HN 0.543 8.579 8.150 -0.190 0.000 0.444 34 D N -2.727 117.660 120.400 -0.022 0.000 2.228 34 D HA -0.272 4.369 4.640 0.002 0.000 0.203 34 D C 1.951 178.256 176.300 0.007 0.000 0.988 34 D CA 3.069 57.066 54.000 -0.004 0.000 0.864 34 D CB -0.912 39.883 40.800 -0.009 0.000 0.928 34 D HN 0.379 8.725 8.370 -0.039 0.000 0.469 35 Q N -1.704 118.099 119.800 0.006 0.000 2.432 35 Q HA -0.070 4.503 4.340 0.018 -0.222 0.205 35 Q C 2.139 178.161 176.000 0.036 0.000 0.945 35 Q CA 1.353 57.167 55.803 0.019 0.000 0.924 35 Q CB 0.203 28.950 28.738 0.014 0.000 1.016 35 Q HN -0.749 7.370 8.270 -0.008 0.146 0.503 36 V N 2.143 122.086 119.914 0.048 0.000 2.261 36 V HA -0.537 3.627 4.120 0.075 0.000 0.246 36 V C 1.451 177.573 176.094 0.047 0.000 1.047 36 V CA 5.050 67.391 62.300 0.068 0.000 1.015 36 V CB -0.239 31.644 31.823 0.100 0.000 0.642 36 V HN 0.402 8.409 8.190 0.039 0.206 0.446 37 D N -1.570 118.853 120.400 0.039 0.000 2.117 37 D HA -0.321 4.340 4.640 0.035 0.000 0.197 37 D C 2.688 179.011 176.300 0.038 0.000 0.987 37 D CA 3.561 57.581 54.000 0.035 0.000 0.829 37 D CB -0.596 40.221 40.800 0.028 0.000 0.961 37 D HN -0.394 7.998 8.370 0.038 0.000 0.460 38 Q N -0.751 119.070 119.800 0.035 0.000 2.079 38 Q HA -0.307 4.054 4.340 0.034 0.000 0.200 38 Q C 2.684 178.713 176.000 0.049 0.000 0.974 38 Q CA 3.157 58.982 55.803 0.036 0.000 0.840 38 Q CB 0.022 28.777 28.738 0.029 0.000 0.898 38 Q HN -0.594 7.689 8.270 0.032 0.007 0.430 39 E N -0.447 119.785 120.200 0.052 0.000 2.106 39 E HA -0.256 4.137 4.350 0.071 0.000 0.192 39 E C 2.560 179.217 176.600 0.096 0.000 0.984 39 E CA 2.875 59.316 56.400 0.068 0.000 0.806 39 E CB -0.271 29.462 29.700 0.055 0.000 0.750 39 E HN -0.012 8.375 8.360 0.046 0.000 0.458 40 V N 0.231 120.192 119.914 0.078 0.000 2.295 40 V HA -0.486 3.702 4.120 0.114 0.000 0.246 40 V C 2.015 178.196 176.094 0.145 0.000 1.049 40 V CA 4.688 67.050 62.300 0.103 0.000 1.024 40 V CB -0.412 31.447 31.823 0.059 0.000 0.648 40 V HN -0.235 7.990 8.190 0.057 0.000 0.447 41 E N -0.429 119.827 120.200 0.095 0.000 2.085 41 E HA -0.378 4.018 4.350 0.077 0.000 0.194 41 E C 2.192 178.839 176.600 0.078 0.000 0.994 41 E CA 3.167 59.613 56.400 0.077 0.000 0.801 41 E CB -0.435 29.294 29.700 0.049 0.000 0.743 41 E HN -0.484 7.920 8.360 0.073 0.000 0.453 42 R N -1.073 119.479 120.500 0.086 0.000 2.081 42 R HA -0.325 4.038 4.340 0.039 0.000 0.235 42 R C 2.540 178.893 176.300 0.088 0.000 1.131 42 R CA 3.346 59.489 56.100 0.072 0.000 0.960 42 R CB -0.204 30.142 30.300 0.077 0.000 0.856 42 R HN -0.398 7.842 8.270 0.087 0.082 0.436 43 F N 1.174 121.129 119.950 0.009 0.000 2.146 43 F HA -0.327 4.206 4.527 0.010 0.000 0.298 43 F C 1.305 177.110 175.800 0.009 0.000 1.096 43 F CA 3.515 61.521 58.000 0.010 0.000 1.275 43 F CB 0.136 39.142 39.000 0.010 0.000 1.008 43 F HN 0.054 8.441 8.300 0.276 0.079 0.480 44 L N -0.105 121.192 121.223 0.124 0.000 1.989 44 L HA -0.457 3.896 4.340 0.021 0.000 0.211 44 L C 1.805 178.626 176.870 -0.082 0.000 1.071 44 L CA 3.430 58.285 54.840 0.025 0.000 0.749 44 L CB -0.585 41.524 42.059 0.082 0.000 0.890 44 L HN 0.624 8.812 8.230 0.233 0.182 0.431 45 S N -1.224 114.447 115.700 -0.049 0.000 2.368 45 S HA -0.313 4.127 4.470 -0.050 0.000 0.225 45 S C 2.273 176.807 174.600 -0.111 0.000 1.030 45 S CA 3.343 61.508 58.200 -0.059 0.000 0.999 45 S CB -0.365 62.819 63.200 -0.027 0.000 0.844 45 S HN 0.520 8.714 8.310 -0.005 0.113 0.459 46 G N 0.867 109.574 108.800 -0.155 0.000 2.418 46 G HA2 -0.334 3.550 3.960 -0.126 0.000 0.217 46 G HA3 -0.334 3.495 3.960 -0.218 0.000 0.217 46 G C 0.807 175.536 174.900 -0.284 0.000 1.158 46 G CA 1.748 46.730 45.100 -0.198 0.000 0.771 46 G HN 0.387 8.421 8.290 -0.130 0.179 0.545 47 R N 1.570 121.799 120.500 -0.452 0.000 2.096 47 R HA -0.397 3.708 4.340 -0.392 0.000 0.235 47 R C 1.879 178.064 176.300 -0.192 0.000 1.127 47 R CA 3.003 58.860 56.100 -0.404 0.000 0.968 47 R CB -0.002 30.001 30.300 -0.494 0.000 0.861 47 R HN 0.498 8.245 8.270 -0.543 0.197 0.440 48 A N -1.344 121.388 122.820 -0.147 0.000 1.948 48 A HA -0.312 3.969 4.320 -0.065 0.000 0.220 48 A C 1.484 179.026 177.584 -0.071 0.000 1.177 48 A CA 3.191 55.179 52.037 -0.081 0.000 0.636 48 A CB -0.770 18.195 19.000 -0.060 0.000 0.815 48 A HN 0.226 8.062 8.150 -0.167 0.214 0.449 49 K N -1.026 119.325 120.400 -0.082 0.000 1.974 49 K HA -0.318 3.974 4.320 -0.047 0.000 0.211 49 K C 1.873 178.437 176.600 -0.059 0.000 1.039 49 K CA 2.904 59.154 56.287 -0.061 0.000 0.947 49 K CB -0.010 32.454 32.500 -0.059 0.000 0.735 49 K HN -0.698 7.388 8.250 -0.103 0.103 0.441 50 A N -0.333 122.443 122.820 -0.073 0.000 1.954 50 A HA -0.397 3.949 4.320 -0.036 -0.047 0.222 50 A C 2.375 179.937 177.584 -0.036 0.000 1.199 50 A CA 3.081 55.086 52.037 -0.054 0.000 0.657 50 A CB -1.160 17.796 19.000 -0.073 0.000 0.823 50 A HN -0.356 7.739 8.150 -0.091 0.000 0.463 51 S N -0.925 114.747 115.700 -0.046 0.000 2.351 51 S HA -0.398 4.067 4.470 -0.008 0.000 0.220 51 S C 1.857 176.447 174.600 -0.017 0.000 1.035 51 S CA 3.572 61.758 58.200 -0.023 0.000 1.031 51 S CB -0.438 62.745 63.200 -0.028 0.000 0.928 51 S HN 0.132 8.387 8.310 -0.071 0.013 0.433 52 A N 1.713 124.518 122.820 -0.025 0.000 1.902 52 A HA -0.261 4.047 4.320 -0.021 0.000 0.217 52 A C 2.366 179.934 177.584 -0.026 0.000 1.181 52 A CA 2.784 54.807 52.037 -0.024 0.000 0.623 52 A CB -0.994 17.991 19.000 -0.025 0.000 0.818 52 A HN -0.293 7.837 8.150 -0.033 0.000 0.443 53 Q N -1.032 118.752 119.800 -0.026 0.000 2.050 53 Q HA -0.367 3.954 4.340 -0.030 0.000 0.202 53 Q C 2.726 178.710 176.000 -0.027 0.000 0.980 53 Q CA 3.297 59.084 55.803 -0.026 0.000 0.840 53 Q CB 0.027 28.754 28.738 -0.019 0.000 0.898 53 Q HN -0.194 8.060 8.270 -0.028 0.000 0.424 54 L N -1.163 120.057 121.223 -0.005 0.000 2.046 54 L HA -0.425 3.937 4.340 0.037 0.000 0.208 54 L C 2.285 179.136 176.870 -0.032 0.000 1.077 54 L CA 3.104 57.956 54.840 0.021 0.000 0.747 54 L CB -0.494 41.608 42.059 0.072 0.000 0.896 54 L HN 0.371 8.600 8.230 -0.002 0.000 0.432 55 E N -1.371 118.812 120.200 -0.029 0.000 2.077 55 E HA -0.305 4.022 4.350 -0.038 0.000 0.193 55 E C 2.675 179.219 176.600 -0.094 0.000 0.989 55 E CA 3.223 59.594 56.400 -0.047 0.000 0.800 55 E CB -0.570 29.114 29.700 -0.025 0.000 0.746 55 E HN -0.478 7.867 8.360 -0.015 0.006 0.452 56 T N 2.396 116.898 114.554 -0.087 0.000 2.777 56 T HA -0.225 4.076 4.350 -0.082 0.000 0.266 56 T C 1.850 176.451 174.700 -0.164 0.000 1.040 56 T CA 4.794 66.836 62.100 -0.096 0.000 1.141 56 T CB -0.314 68.515 68.868 -0.065 0.000 0.868 56 T HN -0.300 7.819 8.240 -0.064 0.082 0.444 57 I N 1.418 121.855 120.570 -0.222 0.000 2.286 57 I HA -0.578 3.438 4.170 -0.258 0.000 0.248 57 I C 1.355 177.043 176.117 -0.715 0.000 1.115 57 I CA 4.329 65.396 61.300 -0.387 0.000 1.392 57 I CB -0.499 37.281 38.000 -0.368 0.000 1.065 57 I HN -0.212 7.898 8.210 -0.167 0.000 0.418 58 K N 0.362 120.328 120.400 -0.723 0.000 2.009 58 K HA -0.459 3.165 4.320 -1.160 0.000 0.210 58 K C 2.128 178.547 176.600 -0.303 0.000 1.049 58 K CA 3.962 59.862 56.287 -0.644 0.000 0.929 58 K CB -0.223 32.140 32.500 -0.229 0.000 0.714 58 K HN -0.299 7.652 8.250 -0.489 0.006 0.440 59 T N 0.333 114.773 114.554 -0.190 0.000 2.759 59 T HA -0.292 4.022 4.350 -0.060 0.000 0.269 59 T C 2.023 176.677 174.700 -0.077 0.000 1.042 59 T CA 4.356 66.400 62.100 -0.094 0.000 1.140 59 T CB -0.764 68.063 68.868 -0.069 0.000 0.864 59 T HN -0.576 7.550 8.240 -0.189 0.000 0.455 60 K N 1.197 121.531 120.400 -0.110 0.000 2.097 60 K HA -0.332 3.975 4.320 -0.021 0.000 0.206 60 K C 2.360 178.973 176.600 0.022 0.000 1.049 60 K CA 3.456 59.716 56.287 -0.045 0.000 0.933 60 K CB -0.387 32.081 32.500 -0.053 0.000 0.717 60 K HN -0.626 7.425 8.250 -0.169 0.098 0.442 61 A N -0.875 121.938 122.820 -0.011 0.000 1.873 61 A HA -0.154 4.369 4.320 0.338 0.000 0.215 61 A C 2.042 179.732 177.584 0.176 0.000 1.186 61 A CA 2.987 55.128 52.037 0.173 0.000 0.616 61 A CB -0.724 18.391 19.000 0.192 0.000 0.823 61 A HN -0.372 7.570 8.150 -0.175 0.103 0.442 62 G N -1.474 107.378 108.800 0.087 0.000 2.491 62 G HA2 -0.437 3.715 3.960 0.106 0.000 0.218 62 G HA3 -0.437 3.553 3.960 0.049 0.000 0.218 62 G C 1.512 176.453 174.900 0.069 0.000 1.180 62 G CA 2.101 47.249 45.100 0.080 0.000 0.774 62 G HN -0.104 8.202 8.290 0.027 0.000 0.562 63 E N 0.476 120.701 120.200 0.042 0.000 2.072 63 E HA -0.240 4.119 4.350 0.016 0.000 0.190 63 E C 2.433 179.039 176.600 0.010 0.000 0.982 63 E CA 2.296 58.708 56.400 0.020 0.000 0.803 63 E CB 0.191 29.894 29.700 0.004 0.000 0.755 63 E HN -0.462 7.915 8.360 0.029 0.000 0.453 64 T N -0.266 114.307 114.554 0.031 0.000 2.639 64 T HA -0.251 4.029 4.350 -0.117 0.000 0.261 64 T C 1.115 175.707 174.700 -0.180 0.000 1.053 64 T CA 3.539 65.603 62.100 -0.059 0.000 1.158 64 T CB 0.262 69.164 68.868 0.057 0.000 0.863 64 T HN -0.095 8.075 8.240 0.062 0.107 0.413 65 F N -2.152 117.829 119.950 0.051 0.000 2.343 65 F HA 0.099 4.656 4.527 0.050 0.000 0.286 65 F C 0.894 176.723 175.800 0.048 0.000 1.057 65 F CA 1.104 59.137 58.000 0.056 0.000 1.365 65 F CB 1.861 40.908 39.000 0.078 0.000 1.114 65 F HN -0.266 8.200 8.300 0.438 0.097 0.545 66 G N -1.991 106.950 108.800 0.234 0.000 2.340 66 G HA2 -0.086 4.056 3.960 0.096 0.000 0.282 66 G HA3 -0.086 3.949 3.960 0.125 0.000 0.282 66 G C -1.722 173.256 174.900 0.129 0.000 1.312 66 G CA -0.385 44.798 45.100 0.137 0.000 0.942 66 G HN -0.470 7.982 8.290 0.271 0.000 0.495 67 E N 1.730 121.984 120.200 0.091 0.000 2.274 67 E HA -0.355 4.191 4.350 0.078 -0.149 0.194 67 E C 1.177 177.823 176.600 0.078 0.000 0.996 67 E CA 2.094 58.539 56.400 0.075 0.000 0.840 67 E CB -0.003 29.728 29.700 0.052 0.000 0.772 67 E HN 0.366 8.772 8.360 0.077 0.000 0.491 68 E N -1.147 119.104 120.200 0.084 0.000 2.110 68 E HA -0.272 4.106 4.350 0.046 0.000 0.193 68 E C 1.584 178.222 176.600 0.063 0.000 0.988 68 E CA 2.643 59.083 56.400 0.067 0.000 0.804 68 E CB -0.403 29.343 29.700 0.077 0.000 0.745 68 E HN 0.393 8.773 8.360 0.094 0.036 0.458 69 K N -3.456 117.008 120.400 0.106 0.000 2.352 69 K HA 0.077 4.402 4.320 0.008 0.000 0.194 69 K C 1.766 178.491 176.600 0.208 0.000 1.038 69 K CA 0.822 57.167 56.287 0.097 0.000 1.023 69 K CB 0.285 32.849 32.500 0.106 0.000 0.840 69 K HN -0.702 7.617 8.250 0.145 0.018 0.519 70 E N 1.237 121.557 120.200 0.199 0.000 2.072 70 E HA -0.275 4.271 4.350 0.326 0.000 0.191 70 E C 1.691 178.398 176.600 0.178 0.000 0.985 70 E CA 3.048 59.582 56.400 0.223 0.000 0.801 70 E CB 0.039 29.812 29.700 0.122 0.000 0.750 70 E HN -0.658 7.692 8.360 0.155 0.102 0.452 71 A N -1.311 121.560 122.820 0.085 0.000 1.969 71 A HA -0.159 4.184 4.320 0.038 0.000 0.218 71 A C 1.768 179.325 177.584 -0.045 0.000 1.169 71 A CA 2.915 54.967 52.037 0.025 0.000 0.635 71 A CB -0.504 18.498 19.000 0.004 0.000 0.810 71 A HN -0.529 7.667 8.150 0.076 0.000 0.445 72 I N -1.973 118.532 120.570 -0.107 0.000 2.226 72 I HA -0.544 3.412 4.170 -0.357 0.000 0.245 72 I C 1.693 177.538 176.117 -0.453 0.000 1.100 72 I CA 3.511 64.603 61.300 -0.347 0.000 1.374 72 I CB -0.155 37.588 38.000 -0.427 0.000 1.057 72 I HN -0.245 7.920 8.210 -0.048 0.016 0.413 73 F N -1.045 118.824 119.950 -0.135 0.000 2.134 73 F HA -0.309 4.228 4.527 0.017 0.000 0.299 73 F C 2.393 178.165 175.800 -0.047 0.000 1.097 73 F CA 3.649 61.621 58.000 -0.047 0.000 1.264 73 F CB -0.371 38.629 39.000 -0.001 0.000 1.001 73 F HN -0.874 7.468 8.300 0.078 0.004 0.479 74 E N 0.679 120.951 120.200 0.120 0.000 2.077 74 E HA -0.496 3.908 4.350 0.089 0.000 0.193 74 E C 2.248 178.851 176.600 0.004 0.000 0.989 74 E CA 3.331 59.768 56.400 0.062 0.000 0.800 74 E CB -0.425 29.299 29.700 0.039 0.000 0.746 74 E HN -0.487 7.870 8.360 0.131 0.082 0.452 75 G N -1.972 106.774 108.800 -0.091 0.000 2.418 75 G HA2 -0.327 3.600 3.960 -0.056 0.000 0.217 75 G HA3 -0.327 3.508 3.960 -0.209 0.000 0.217 75 G C 1.590 176.460 174.900 -0.049 0.000 1.158 75 G CA 2.294 47.323 45.100 -0.119 0.000 0.771 75 G HN -0.040 8.168 8.290 -0.131 0.004 0.545 76 H N 2.853 121.906 119.070 -0.028 0.000 2.363 76 H HA -0.236 4.300 4.556 -0.035 0.000 0.301 76 H C 2.713 178.052 175.328 0.018 0.000 1.074 76 H CA 2.366 58.400 56.048 -0.024 0.000 1.354 76 H CB 0.291 30.021 29.762 -0.054 0.000 1.397 76 H HN -0.586 7.446 8.280 -0.290 0.074 0.516 77 I N 0.402 121.074 120.570 0.169 0.000 2.202 77 I HA -0.564 3.675 4.170 0.114 0.000 0.242 77 I C 1.421 177.585 176.117 0.077 0.000 1.091 77 I CA 4.180 65.550 61.300 0.116 0.000 1.368 77 I CB 0.166 38.231 38.000 0.108 0.000 1.058 77 I HN 0.595 8.723 8.210 0.163 0.180 0.410 78 M N -0.082 119.554 119.600 0.060 0.000 2.117 78 M HA -0.399 4.104 4.480 0.038 0.000 0.262 78 M C 1.177 177.502 176.300 0.042 0.000 1.065 78 M CA 3.624 58.949 55.300 0.040 0.000 1.114 78 M CB 0.434 33.049 32.600 0.025 0.000 1.361 78 M HN 0.350 8.548 8.290 0.057 0.126 0.408 79 L N -2.925 118.329 121.223 0.051 0.000 2.093 79 L HA -0.178 4.182 4.340 0.033 0.000 0.208 79 L C 2.547 179.447 176.870 0.050 0.000 1.085 79 L CA 2.512 57.381 54.840 0.047 0.000 0.755 79 L CB -0.112 41.983 42.059 0.060 0.000 0.904 79 L HN -0.500 7.760 8.230 0.061 0.006 0.435 80 L N -0.118 121.143 121.223 0.063 0.000 2.083 80 L HA -0.311 4.064 4.340 0.058 0.000 0.209 80 L C 1.802 178.710 176.870 0.063 0.000 1.083 80 L CA 3.106 57.983 54.840 0.063 0.000 0.752 80 L CB -0.121 41.978 42.059 0.066 0.000 0.899 80 L HN 0.109 8.309 8.230 0.078 0.077 0.433 81 E N -3.855 116.378 120.200 0.055 0.000 2.511 81 E HA -0.203 4.182 4.350 0.060 0.000 0.196 81 E C -0.678 175.948 176.600 0.043 0.000 1.066 81 E CA 0.022 56.452 56.400 0.051 0.000 0.871 81 E CB -0.474 29.251 29.700 0.041 0.000 0.863 81 E HN -0.364 8.021 8.360 0.055 0.007 0.520 82 D N 1.383 121.806 120.400 0.038 0.000 2.586 82 D HA -0.188 4.466 4.640 0.023 0.000 0.234 82 D C 0.838 177.153 176.300 0.025 0.000 1.132 82 D CA 0.809 54.825 54.000 0.026 0.000 0.860 82 D CB 0.881 41.694 40.800 0.020 0.000 1.159 82 D HN -0.630 7.544 8.370 0.042 0.221 0.490 83 E N 5.880 126.092 120.200 0.019 0.000 2.333 83 E HA -0.291 4.072 4.350 0.022 0.000 0.198 83 E C 1.898 178.502 176.600 0.007 0.000 1.007 83 E CA 2.579 58.988 56.400 0.016 0.000 0.845 83 E CB -0.027 29.679 29.700 0.011 0.000 0.766 83 E HN 0.437 8.807 8.360 0.017 0.000 0.507 84 E N -0.395 119.807 120.200 0.003 0.000 2.152 84 E HA -0.234 4.110 4.350 -0.011 0.000 0.192 84 E C 2.304 178.896 176.600 -0.013 0.000 0.983 84 E CA 2.409 58.804 56.400 -0.008 0.000 0.818 84 E CB -0.032 29.663 29.700 -0.009 0.000 0.758 84 E HN 0.170 8.915 8.360 0.006 -0.381 0.467 85 L N -0.943 120.279 121.223 -0.002 0.000 2.072 85 L HA -0.312 4.014 4.340 -0.023 0.000 0.205 85 L C 1.772 178.631 176.870 -0.017 0.000 1.079 85 L CA 3.084 57.921 54.840 -0.005 0.000 0.752 85 L CB -0.145 41.930 42.059 0.027 0.000 0.906 85 L HN -0.337 7.773 8.230 0.008 0.125 0.436 86 E N -0.671 119.535 120.200 0.009 0.000 2.077 86 E HA -0.473 3.884 4.350 0.011 0.000 0.193 86 E C 2.492 179.069 176.600 -0.038 0.000 0.989 86 E CA 3.540 59.944 56.400 0.006 0.000 0.800 86 E CB -0.294 29.430 29.700 0.039 0.000 0.746 86 E HN -0.617 7.757 8.360 0.023 0.000 0.452 87 Q N -1.937 117.845 119.800 -0.030 0.000 2.079 87 Q HA -0.278 4.039 4.340 -0.038 0.000 0.200 87 Q C 2.825 178.787 176.000 -0.063 0.000 0.974 87 Q CA 3.057 58.836 55.803 -0.040 0.000 0.840 87 Q CB 0.152 28.874 28.738 -0.027 0.000 0.898 87 Q HN -0.605 7.655 8.270 -0.017 0.000 0.430 88 E N 0.466 120.627 120.200 -0.065 0.000 2.107 88 E HA -0.267 4.040 4.350 -0.072 0.000 0.191 88 E C 2.607 179.137 176.600 -0.116 0.000 0.982 88 E CA 2.837 59.190 56.400 -0.079 0.000 0.809 88 E CB -0.034 29.627 29.700 -0.066 0.000 0.756 88 E HN -0.539 7.789 8.360 -0.052 0.000 0.459 89 I N -0.014 120.464 120.570 -0.154 0.000 2.142 89 I HA -0.448 3.585 4.170 -0.229 0.000 0.240 89 I C 1.941 177.897 176.117 -0.269 0.000 1.078 89 I CA 4.538 65.679 61.300 -0.264 0.000 1.343 89 I CB 0.122 37.862 38.000 -0.432 0.000 1.046 89 I HN 0.171 8.304 8.210 -0.130 0.000 0.405 90 I N -1.206 119.230 120.570 -0.223 0.000 2.315 90 I HA -0.543 3.514 4.170 -0.188 0.000 0.248 90 I C 1.592 177.638 176.117 -0.117 0.000 1.117 90 I CA 3.672 64.876 61.300 -0.161 0.000 1.404 90 I CB -0.478 37.462 38.000 -0.100 0.000 1.071 90 I HN -0.606 7.487 8.210 -0.194 0.000 0.419 91 A N 0.637 123.393 122.820 -0.105 0.000 1.877 91 A HA -0.302 3.968 4.320 -0.083 0.000 0.216 91 A C 1.932 179.450 177.584 -0.111 0.000 1.186 91 A CA 3.413 55.394 52.037 -0.093 0.000 0.620 91 A CB -1.001 17.952 19.000 -0.078 0.000 0.822 91 A HN -0.098 7.988 8.150 -0.107 0.000 0.443 92 L N -1.964 119.190 121.223 -0.115 0.000 2.017 92 L HA -0.464 3.809 4.340 -0.112 0.000 0.208 92 L C 2.586 179.383 176.870 -0.122 0.000 1.073 92 L CA 3.093 57.865 54.840 -0.113 0.000 0.745 92 L CB -0.286 41.713 42.059 -0.100 0.000 0.894 92 L HN -0.454 7.706 8.230 -0.117 0.000 0.432 93 I N -0.927 119.576 120.570 -0.112 0.000 2.179 93 I HA -0.572 3.793 4.170 -0.051 -0.226 0.242 93 I C 2.177 178.246 176.117 -0.081 0.000 1.088 93 I CA 4.084 65.338 61.300 -0.076 0.000 1.357 93 I CB -0.213 37.743 38.000 -0.074 0.000 1.051 93 I HN -0.730 7.404 8.210 -0.128 0.000 0.409 94 K N -3.040 117.303 120.400 -0.094 0.000 2.097 94 K HA -0.299 4.010 4.320 -0.018 0.000 0.205 94 K C 1.522 177.974 176.600 -0.248 0.000 1.050 94 K CA 3.206 59.438 56.287 -0.091 0.000 0.938 94 K CB -0.101 32.364 32.500 -0.059 0.000 0.718 94 K HN -0.117 8.076 8.250 -0.095 0.000 0.442 95 D N -2.525 117.720 120.400 -0.259 0.000 2.146 95 D HA -0.033 4.421 4.640 -0.310 0.000 0.209 95 D C 1.293 177.293 176.300 -0.501 0.000 0.973 95 D CA 2.249 56.056 54.000 -0.321 0.000 0.860 95 D CB 0.911 41.607 40.800 -0.174 0.000 1.015 95 D HN 0.184 8.313 8.370 -0.184 0.130 0.465 96 K N -3.038 117.167 120.400 -0.325 0.000 2.487 96 K HA 0.030 4.235 4.320 -0.191 0.000 0.192 96 K C -0.659 175.845 176.600 -0.161 0.000 1.027 96 K CA -0.372 55.784 56.287 -0.219 0.000 1.054 96 K CB 0.235 32.676 32.500 -0.099 0.000 0.824 96 K HN -0.204 7.808 8.250 -0.230 0.101 0.510 97 H N -5.315 113.744 119.070 -0.017 0.000 2.791 97 H HA -0.389 4.307 4.556 -0.014 -0.148 0.302 97 H C -1.039 174.282 175.328 -0.012 0.000 1.198 97 H CA 0.815 56.855 56.048 -0.013 0.000 1.145 97 H CB -3.108 26.648 29.762 -0.009 0.000 1.385 97 H HN -0.499 7.407 8.280 -0.510 0.068 0.409 98 M N -2.623 117.001 119.600 0.040 0.000 2.371 98 M HA 0.180 4.686 4.480 0.043 0.000 0.301 98 M C 0.070 176.386 176.300 0.025 0.000 1.173 98 M CA 0.684 56.001 55.300 0.027 0.000 1.020 98 M CB 1.982 34.580 32.600 -0.003 0.000 1.490 98 M HN -1.021 7.241 8.290 -0.018 0.017 0.485 99 T N -3.548 111.022 114.554 0.026 0.000 2.849 99 T HA 0.050 4.422 4.350 0.036 0.000 0.284 99 T C 0.419 175.135 174.700 0.026 0.000 1.004 99 T CA -1.577 60.542 62.100 0.032 0.000 1.021 99 T CB 0.618 69.507 68.868 0.035 0.000 1.013 99 T HN 0.005 8.261 8.240 0.027 0.000 0.527 100 A N 1.765 124.614 122.820 0.047 0.000 1.898 100 A HA -0.312 3.992 4.320 -0.027 0.000 0.216 100 A C 1.343 178.990 177.584 0.105 0.000 1.181 100 A CA 3.585 55.661 52.037 0.065 0.000 0.620 100 A CB -0.346 18.764 19.000 0.183 0.000 0.819 100 A HN 0.055 8.427 8.150 0.060 -0.186 0.442 101 D N -2.419 118.042 120.400 0.102 0.000 2.144 101 D HA -0.305 4.412 4.640 0.128 0.000 0.199 101 D C 1.550 177.901 176.300 0.085 0.000 0.984 101 D CA 2.571 56.627 54.000 0.094 0.000 0.834 101 D CB -1.221 39.612 40.800 0.055 0.000 0.955 101 D HN 0.130 8.552 8.370 0.087 0.000 0.465 102 A N -0.189 122.669 122.820 0.063 0.000 1.878 102 A HA -0.278 4.096 4.320 0.090 0.000 0.213 102 A C 1.539 179.164 177.584 0.067 0.000 1.192 102 A CA 2.599 54.678 52.037 0.070 0.000 0.619 102 A CB -0.123 18.902 19.000 0.042 0.000 0.837 102 A HN -0.679 7.408 8.150 0.051 0.094 0.446 103 A N -0.859 121.973 122.820 0.021 0.000 1.877 103 A HA -0.295 4.009 4.320 -0.026 0.000 0.216 103 A C 1.572 179.133 177.584 -0.039 0.000 1.186 103 A CA 2.898 54.918 52.037 -0.029 0.000 0.620 103 A CB -0.414 18.539 19.000 -0.078 0.000 0.822 103 A HN 0.547 8.586 8.150 0.017 0.121 0.443 104 A N -2.194 120.610 122.820 -0.026 0.000 1.877 104 A HA -0.424 3.838 4.320 -0.095 0.000 0.216 104 A C 0.996 178.619 177.584 0.065 0.000 1.186 104 A CA 3.148 55.185 52.037 -0.000 0.000 0.620 104 A CB -0.759 18.330 19.000 0.149 0.000 0.822 104 A HN 0.079 8.109 8.150 -0.011 0.114 0.443 105 H N -0.536 118.542 119.070 0.013 0.000 2.387 105 H HA -0.329 4.236 4.556 0.015 0.000 0.299 105 H C 1.918 177.240 175.328 -0.009 0.000 1.099 105 H CA 3.274 59.327 56.048 0.008 0.000 1.315 105 H CB 0.085 29.852 29.762 0.008 0.000 1.380 105 H HN -0.603 7.797 8.280 0.201 0.000 0.513 106 E N -0.302 119.847 120.200 -0.085 0.000 2.077 106 E HA -0.358 3.863 4.350 -0.213 0.000 0.193 106 E C 2.283 178.789 176.600 -0.156 0.000 0.989 106 E CA 2.980 59.292 56.400 -0.147 0.000 0.800 106 E CB -0.289 29.376 29.700 -0.059 0.000 0.746 106 E HN -0.534 7.753 8.360 0.034 0.094 0.452 107 V N -0.078 119.768 119.914 -0.112 0.000 2.261 107 V HA -0.433 3.634 4.120 -0.087 0.000 0.246 107 V C 1.938 177.971 176.094 -0.102 0.000 1.047 107 V CA 4.736 66.980 62.300 -0.094 0.000 1.015 107 V CB -0.238 31.540 31.823 -0.075 0.000 0.642 107 V HN -0.677 7.460 8.190 -0.088 0.000 0.446 108 I N -1.671 118.835 120.570 -0.106 0.000 2.315 108 I HA -0.450 3.679 4.170 -0.069 0.000 0.248 108 I C 2.093 178.113 176.117 -0.162 0.000 1.117 108 I CA 2.244 63.484 61.300 -0.099 0.000 1.404 108 I CB -1.404 36.562 38.000 -0.055 0.000 1.071 108 I HN -0.696 7.459 8.210 -0.091 0.000 0.419 109 E N 0.518 120.537 120.200 -0.300 0.000 2.106 109 E HA -0.318 3.881 4.350 -0.252 0.000 0.192 109 E C 2.682 179.171 176.600 -0.184 0.000 0.984 109 E CA 3.281 59.484 56.400 -0.328 0.000 0.806 109 E CB -0.203 29.122 29.700 -0.626 0.000 0.750 109 E HN 0.376 8.409 8.360 -0.373 0.103 0.458 110 G N -0.615 108.090 108.800 -0.158 0.000 2.446 110 G HA2 -0.363 3.541 3.960 -0.092 0.000 0.217 110 G HA3 -0.363 3.564 3.960 -0.091 -0.022 0.217 110 G C 1.786 176.638 174.900 -0.081 0.000 1.168 110 G CA 2.147 47.186 45.100 -0.101 0.000 0.771 110 G HN 0.568 8.534 8.290 -0.181 0.215 0.551 111 Q N 1.688 121.441 119.800 -0.079 0.000 2.016 111 Q HA -0.295 4.013 4.340 -0.054 0.000 0.200 111 Q C 2.533 178.494 176.000 -0.065 0.000 0.978 111 Q CA 2.500 58.266 55.803 -0.062 0.000 0.833 111 Q CB -0.562 28.144 28.738 -0.053 0.000 0.895 111 Q HN -0.469 7.749 8.270 -0.087 0.000 0.427 112 A N 0.203 122.979 122.820 -0.074 0.000 1.948 112 A HA -0.455 3.825 4.320 -0.067 0.000 0.220 112 A C 1.734 179.280 177.584 -0.064 0.000 1.177 112 A CA 3.174 55.169 52.037 -0.070 0.000 0.636 112 A CB -1.096 17.859 19.000 -0.075 0.000 0.815 112 A HN 0.008 8.107 8.150 -0.084 0.000 0.449 113 S N -0.744 114.915 115.700 -0.067 0.000 2.368 113 S HA -0.320 4.351 4.470 -0.047 -0.229 0.225 113 S C 2.056 176.628 174.600 -0.046 0.000 1.030 113 S CA 2.917 61.085 58.200 -0.054 0.000 0.999 113 S CB -0.123 63.043 63.200 -0.057 0.000 0.844 113 S HN 0.310 8.451 8.310 -0.082 0.120 0.459 114 A N 1.293 124.084 122.820 -0.048 0.000 1.933 114 A HA -0.240 4.058 4.320 -0.036 0.000 0.218 114 A C 2.233 179.792 177.584 -0.043 0.000 1.175 114 A CA 2.839 54.851 52.037 -0.041 0.000 0.628 114 A CB -0.707 18.269 19.000 -0.041 0.000 0.814 114 A HN -0.479 7.551 8.150 -0.054 0.088 0.444 115 L N -3.127 118.066 121.223 -0.051 0.000 2.056 115 L HA -0.447 3.859 4.340 -0.057 0.000 0.207 115 L C 2.696 179.534 176.870 -0.053 0.000 1.078 115 L CA 2.650 57.455 54.840 -0.059 0.000 0.749 115 L CB -0.740 41.275 42.059 -0.073 0.000 0.901 115 L HN -0.299 7.805 8.230 -0.054 0.093 0.433 116 E N -0.896 119.276 120.200 -0.048 0.000 2.171 116 E HA -0.390 3.935 4.350 -0.041 0.000 0.197 116 E C 1.869 178.450 176.600 -0.031 0.000 0.997 116 E CA 2.875 59.252 56.400 -0.039 0.000 0.810 116 E CB -0.427 29.253 29.700 -0.033 0.000 0.738 116 E HN -0.031 8.230 8.360 -0.049 0.070 0.467 117 E N -2.484 117.698 120.200 -0.030 0.000 2.265 117 E HA -0.246 4.092 4.350 -0.020 0.000 0.196 117 E C 0.718 177.305 176.600 -0.022 0.000 0.996 117 E CA 1.033 57.419 56.400 -0.023 0.000 0.832 117 E CB 0.106 29.792 29.700 -0.023 0.000 0.756 117 E HN -0.758 7.455 8.360 -0.034 0.127 0.491 118 L N 0.211 121.418 121.223 -0.028 0.000 2.485 118 L HA -0.115 4.215 4.340 -0.018 0.000 0.275 118 L C 0.680 177.540 176.870 -0.017 0.000 1.207 118 L CA 0.244 55.069 54.840 -0.024 0.000 0.855 118 L CB 0.250 42.286 42.059 -0.038 0.000 1.114 118 L HN -0.301 7.734 8.230 -0.035 0.174 0.485 119 D N 1.957 122.353 120.400 -0.007 0.000 3.072 119 D HA 0.032 4.670 4.640 -0.003 0.000 0.250 119 D C -1.463 174.843 176.300 0.009 0.000 1.304 119 D CA -0.676 53.324 54.000 -0.000 0.000 0.861 119 D CB -0.917 39.885 40.800 0.003 0.000 1.062 119 D HN 0.084 8.451 8.370 -0.004 0.000 0.481 120 D N -0.532 119.873 120.400 0.008 0.000 2.787 120 D HA 0.167 4.833 4.640 0.043 0.000 0.246 120 D C 0.120 176.435 176.300 0.026 0.000 1.150 120 D CA -0.982 53.037 54.000 0.033 0.000 0.864 120 D CB 2.620 43.453 40.800 0.055 0.000 1.481 120 D HN -0.895 7.391 8.370 -0.008 0.079 0.509 121 E N 6.618 126.849 120.200 0.051 0.000 2.208 121 E HA -0.375 3.987 4.350 0.019 0.000 0.193 121 E C 0.922 177.567 176.600 0.075 0.000 0.988 121 E CA 2.563 58.992 56.400 0.047 0.000 0.828 121 E CB -0.550 29.181 29.700 0.052 0.000 0.763 121 E HN 0.525 8.922 8.360 0.061 0.000 0.478 122 Y N 1.937 122.235 120.300 -0.004 0.000 2.263 122 Y HA -0.199 4.350 4.550 -0.002 0.000 0.292 122 Y C 1.382 177.279 175.900 -0.005 0.000 1.130 122 Y CA 2.596 60.694 58.100 -0.003 0.000 1.179 122 Y CB -0.028 38.430 38.460 -0.003 0.000 0.998 122 Y HN 0.514 9.360 8.280 0.212 -0.439 0.532 123 L N -1.837 119.136 121.223 -0.416 0.000 2.095 123 L HA -0.315 3.552 4.340 -0.789 0.000 0.204 123 L C 1.886 178.604 176.870 -0.253 0.000 1.080 123 L CA 2.498 57.048 54.840 -0.483 0.000 0.759 123 L CB -0.310 41.588 42.059 -0.269 0.000 0.914 123 L HN -0.388 7.907 8.230 -0.129 -0.142 0.439 124 K N 0.182 120.498 120.400 -0.141 0.000 2.026 124 K HA -0.443 3.825 4.320 -0.088 0.000 0.208 124 K C 2.234 178.783 176.600 -0.085 0.000 1.048 124 K CA 3.972 60.206 56.287 -0.088 0.000 0.929 124 K CB -0.097 32.374 32.500 -0.047 0.000 0.713 124 K HN 0.055 8.240 8.250 -0.108 0.000 0.439 125 E N -2.173 117.984 120.200 -0.071 0.000 2.077 125 E HA -0.379 3.949 4.350 -0.036 0.000 0.193 125 E C 2.113 178.669 176.600 -0.074 0.000 0.989 125 E CA 2.978 59.350 56.400 -0.046 0.000 0.800 125 E CB -0.163 29.537 29.700 0.000 0.000 0.746 125 E HN -0.520 7.803 8.360 -0.061 0.000 0.452 126 R N -0.239 120.179 120.500 -0.137 0.000 2.081 126 R HA -0.305 3.985 4.340 -0.082 0.000 0.235 126 R C 2.053 178.286 176.300 -0.110 0.000 1.131 126 R CA 3.011 59.024 56.100 -0.144 0.000 0.960 126 R CB -0.011 30.107 30.300 -0.305 0.000 0.856 126 R HN -0.644 7.431 8.270 -0.195 0.078 0.436 127 A N -2.797 119.950 122.820 -0.121 0.000 2.067 127 A HA -0.133 4.135 4.320 -0.087 0.000 0.219 127 A C 1.361 178.897 177.584 -0.080 0.000 1.158 127 A CA 2.475 54.457 52.037 -0.093 0.000 0.661 127 A CB -0.882 18.065 19.000 -0.089 0.000 0.801 127 A HN 0.249 8.213 8.150 -0.146 0.098 0.452 128 A N -1.624 121.150 122.820 -0.075 0.000 1.902 128 A HA -0.297 3.987 4.320 -0.060 0.000 0.217 128 A C 1.697 179.225 177.584 -0.094 0.000 1.181 128 A CA 3.244 55.240 52.037 -0.068 0.000 0.623 128 A CB -0.795 18.174 19.000 -0.053 0.000 0.818 128 A HN -0.245 7.671 8.150 -0.078 0.187 0.443 129 D N -0.892 119.446 120.400 -0.103 0.000 2.117 129 D HA -0.245 4.278 4.640 -0.196 0.000 0.197 129 D C 2.256 178.402 176.300 -0.257 0.000 0.987 129 D CA 3.114 57.013 54.000 -0.169 0.000 0.829 129 D CB -0.564 40.205 40.800 -0.051 0.000 0.961 129 D HN -0.567 7.650 8.370 -0.081 0.105 0.460 130 V N -0.018 119.802 119.914 -0.158 0.000 2.343 130 V HA -0.456 3.549 4.120 -0.192 0.000 0.247 130 V C 1.482 177.499 176.094 -0.128 0.000 1.051 130 V CA 4.082 66.296 62.300 -0.144 0.000 1.036 130 V CB -0.139 31.639 31.823 -0.076 0.000 0.654 130 V HN -0.795 7.248 8.190 -0.102 0.086 0.451 131 R N -0.568 119.873 120.500 -0.099 0.000 2.120 131 R HA -0.484 3.829 4.340 -0.045 0.000 0.234 131 R C 1.342 177.605 176.300 -0.063 0.000 1.123 131 R CA 3.798 59.862 56.100 -0.060 0.000 0.975 131 R CB -0.338 29.937 30.300 -0.042 0.000 0.866 131 R HN 0.026 8.148 8.270 -0.097 0.089 0.446 132 D N -0.613 119.720 120.400 -0.112 0.000 2.123 132 D HA -0.220 4.378 4.640 -0.071 0.000 0.196 132 D C 2.223 178.460 176.300 -0.106 0.000 0.992 132 D CA 3.213 57.145 54.000 -0.112 0.000 0.833 132 D CB -0.514 40.185 40.800 -0.168 0.000 0.954 132 D HN -0.269 7.894 8.370 -0.140 0.123 0.455 133 I N -1.231 119.247 120.570 -0.154 0.000 2.179 133 I HA -0.450 3.665 4.170 -0.092 0.000 0.242 133 I C 1.885 177.987 176.117 -0.025 0.000 1.088 133 I CA 3.060 64.299 61.300 -0.102 0.000 1.357 133 I CB -0.245 37.681 38.000 -0.124 0.000 1.051 133 I HN -0.928 7.151 8.210 -0.218 0.000 0.409 134 G N -1.348 107.449 108.800 -0.005 0.000 2.418 134 G HA2 -0.392 3.615 3.960 0.079 0.000 0.217 134 G HA3 -0.392 3.619 3.960 0.085 0.000 0.217 134 G C 0.859 175.813 174.900 0.090 0.000 1.158 134 G CA 1.932 47.073 45.100 0.069 0.000 0.771 134 G HN -0.573 7.696 8.290 -0.035 0.000 0.545 135 K N 1.864 122.296 120.400 0.054 0.000 2.032 135 K HA -0.394 3.942 4.320 0.027 0.000 0.209 135 K C 2.667 179.272 176.600 0.008 0.000 1.048 135 K CA 3.563 59.865 56.287 0.026 0.000 0.927 135 K CB -0.194 32.308 32.500 0.003 0.000 0.712 135 K HN -0.285 7.984 8.250 0.031 0.000 0.441 136 R N -1.728 118.773 120.500 0.001 0.000 2.148 136 R HA -0.256 4.081 4.340 -0.005 0.000 0.227 136 R C 2.317 178.619 176.300 0.004 0.000 1.103 136 R CA 2.798 58.897 56.100 -0.002 0.000 0.983 136 R CB -0.177 30.120 30.300 -0.005 0.000 0.874 136 R HN -0.559 7.707 8.270 -0.007 0.000 0.451 137 L N 1.260 122.494 121.223 0.019 0.000 2.042 137 L HA -0.250 4.089 4.340 -0.002 0.000 0.210 137 L C 1.063 177.953 176.870 0.032 0.000 1.076 137 L CA 3.134 57.990 54.840 0.027 0.000 0.749 137 L CB -0.411 41.692 42.059 0.073 0.000 0.893 137 L HN -0.283 7.847 8.230 0.024 0.115 0.432 138 L N -2.948 118.299 121.223 0.040 0.000 2.046 138 L HA -0.491 3.879 4.340 0.049 0.000 0.208 138 L C 2.282 179.155 176.870 0.004 0.000 1.077 138 L CA 3.318 58.173 54.840 0.025 0.000 0.747 138 L CB -0.763 41.289 42.059 -0.011 0.000 0.896 138 L HN -0.592 7.661 8.230 0.045 0.004 0.432 139 R N -1.544 118.954 120.500 -0.004 0.000 2.092 139 R HA -0.380 3.954 4.340 -0.010 0.000 0.231 139 R C 2.414 178.706 176.300 -0.013 0.000 1.119 139 R CA 3.873 59.968 56.100 -0.010 0.000 0.970 139 R CB -0.418 29.876 30.300 -0.010 0.000 0.864 139 R HN -0.564 7.608 8.270 -0.002 0.096 0.440 140 N N -0.381 118.308 118.700 -0.019 0.000 2.166 140 N HA -0.335 4.385 4.740 -0.032 0.000 0.186 140 N C 1.773 177.255 175.510 -0.046 0.000 1.019 140 N CA 3.321 56.349 53.050 -0.036 0.000 0.856 140 N CB 0.106 38.561 38.487 -0.053 0.000 0.993 140 N HN 0.179 8.366 8.380 -0.013 0.185 0.426 141 I N -1.309 119.239 120.570 -0.036 0.000 2.286 141 I HA -0.433 3.701 4.170 -0.060 0.000 0.245 141 I C 1.629 177.740 176.117 -0.010 0.000 1.104 141 I CA 3.407 64.690 61.300 -0.029 0.000 1.397 141 I CB 0.192 38.202 38.000 0.016 0.000 1.072 141 I HN -0.509 7.680 8.210 -0.020 0.009 0.417 142 L N -2.764 118.457 121.223 -0.003 0.000 2.156 142 L HA -0.212 4.130 4.340 0.003 0.000 0.208 142 L C 1.192 178.058 176.870 -0.007 0.000 1.095 142 L CA 1.289 56.128 54.840 -0.002 0.000 0.770 142 L CB 0.604 42.662 42.059 -0.003 0.000 0.914 142 L HN -0.500 7.729 8.230 -0.002 0.000 0.439 143 G N -2.623 106.170 108.800 -0.012 0.000 2.203 143 G HA2 -0.379 3.570 3.960 -0.017 0.000 0.231 143 G HA3 -0.379 3.574 3.960 -0.012 0.000 0.231 143 G C -0.667 174.228 174.900 -0.009 0.000 1.058 143 G CA -0.216 44.876 45.100 -0.013 0.000 0.781 143 G HN -0.104 8.058 8.290 -0.015 0.119 0.496 144 L N 0.428 121.646 121.223 -0.009 0.000 2.426 144 L HA 0.082 4.419 4.340 -0.006 0.000 0.271 144 L C -0.044 176.822 176.870 -0.006 0.000 1.169 144 L CA 0.098 54.934 54.840 -0.007 0.000 0.836 144 L CB 1.031 43.085 42.059 -0.007 0.000 1.112 144 L HN -0.585 7.639 8.230 -0.010 0.000 0.465 145 K N 4.855 125.253 120.400 -0.003 0.000 2.382 145 K HA -0.058 4.260 4.320 -0.003 0.000 0.275 145 K C -0.439 176.162 176.600 0.000 0.000 1.009 145 K CA 0.173 56.459 56.287 -0.001 0.000 0.970 145 K CB 0.493 32.993 32.500 0.001 0.000 0.934 145 K HN 0.068 8.316 8.250 -0.003 0.000 0.479 146 I N 3.244 123.815 120.570 0.001 0.000 2.378 146 I HA 0.099 4.272 4.170 0.005 0.000 0.291 146 I C 0.406 176.528 176.117 0.009 0.000 0.992 146 I CA -0.581 60.721 61.300 0.005 0.000 1.154 146 I CB 1.760 39.763 38.000 0.004 0.000 1.315 146 I HN 0.100 8.311 8.210 0.000 0.000 0.448 147 I N 5.564 126.141 120.570 0.012 0.000 2.226 147 I HA -0.273 3.905 4.170 0.014 0.000 0.245 147 I C -0.471 175.658 176.117 0.019 0.000 1.100 147 I CA 1.091 62.401 61.300 0.016 0.000 1.374 147 I CB 0.422 38.433 38.000 0.019 0.000 1.057 147 I HN 0.652 8.869 8.210 0.011 0.000 0.413 148 D N -2.326 118.086 120.400 0.021 0.000 4.844 148 D HA -0.174 4.482 4.640 0.026 0.000 0.239 148 D C 0.692 177.011 176.300 0.033 0.000 1.115 148 D CA 0.458 54.473 54.000 0.024 0.000 1.241 148 D CB 0.327 41.137 40.800 0.017 0.000 0.748 148 D HN -0.240 8.142 8.370 0.020 0.000 0.368 149 L N 2.671 123.920 121.223 0.043 0.000 2.551 149 L HA -0.218 4.153 4.340 0.051 0.000 0.228 149 L C 1.168 178.071 176.870 0.056 0.000 1.153 149 L CA 1.217 56.089 54.840 0.054 0.000 0.851 149 L CB -0.450 41.650 42.059 0.068 0.000 0.959 149 L HN 0.257 8.513 8.230 0.044 0.000 0.451 150 S N -2.243 113.485 115.700 0.047 0.000 2.528 150 S HA -0.064 4.615 4.470 0.051 -0.179 0.219 150 S C 0.681 175.300 174.600 0.032 0.000 0.985 150 S CA 1.058 59.283 58.200 0.042 0.000 0.914 150 S CB 0.578 63.797 63.200 0.033 0.000 0.776 150 S HN -0.189 8.350 8.310 0.040 -0.205 0.526 151 A N 0.904 123.742 122.820 0.029 0.000 2.276 151 A HA 0.069 4.401 4.320 0.020 0.000 0.212 151 A C -0.417 177.184 177.584 0.027 0.000 1.230 151 A CA 0.030 52.081 52.037 0.024 0.000 0.844 151 A CB -0.191 18.821 19.000 0.020 0.000 0.860 151 A HN -0.528 7.476 8.150 0.031 0.165 0.486 152 I N -1.101 119.489 120.570 0.033 0.000 2.395 152 I HA -0.086 4.103 4.170 0.032 0.000 0.289 152 I C -0.291 175.845 176.117 0.030 0.000 1.023 152 I CA 0.129 61.450 61.300 0.035 0.000 1.350 152 I CB 1.313 39.339 38.000 0.044 0.000 1.409 152 I HN -0.825 7.305 8.210 0.038 0.103 0.507 153 Q N 5.282 125.098 119.800 0.027 0.000 2.214 153 Q HA 0.015 4.368 4.340 0.022 0.000 0.229 153 Q C -1.139 174.876 176.000 0.025 0.000 0.835 153 Q CA 0.054 55.871 55.803 0.023 0.000 0.953 153 Q CB 1.592 30.342 28.738 0.019 0.000 1.131 153 Q HN 0.471 8.757 8.270 0.027 0.000 0.501 154 D N -0.100 120.317 120.400 0.028 0.000 2.342 154 D HA 0.196 4.853 4.640 0.028 0.000 0.243 154 D C -1.244 175.076 176.300 0.032 0.000 1.019 154 D CA -0.980 53.038 54.000 0.030 0.000 0.864 154 D CB 1.743 42.562 40.800 0.032 0.000 1.315 154 D HN -0.452 7.936 8.370 0.030 0.000 0.468 155 E N 0.250 120.469 120.200 0.032 0.000 2.415 155 E HA -0.051 4.507 4.350 0.028 -0.191 0.263 155 E C -0.670 175.946 176.600 0.028 0.000 0.995 155 E CA 0.731 57.149 56.400 0.029 0.000 0.915 155 E CB 0.394 30.112 29.700 0.030 0.000 0.951 155 E HN 0.240 8.619 8.360 0.032 0.000 0.449 156 V N -2.332 117.594 119.914 0.020 0.000 3.216 156 V HA 0.445 4.627 4.120 0.002 -0.061 0.302 156 V C -2.326 173.763 176.094 -0.008 0.000 1.286 156 V CA -2.373 59.933 62.300 0.009 0.000 1.048 156 V CB 3.263 35.101 31.823 0.025 0.000 1.081 156 V HN 0.390 8.593 8.190 0.021 0.000 0.442 157 I N -0.753 119.800 120.570 -0.029 0.000 2.499 157 I HA 0.020 4.152 4.170 -0.063 0.000 0.296 157 I C -1.784 174.340 176.117 0.012 0.000 0.992 157 I CA -0.755 60.519 61.300 -0.044 0.000 1.297 157 I CB 1.835 39.783 38.000 -0.087 0.000 1.410 157 I HN 0.964 9.027 8.210 -0.034 0.127 0.507 158 L N 6.387 127.644 121.223 0.058 0.000 2.257 158 L HA 0.297 4.691 4.340 0.091 0.000 0.290 158 L C -2.362 174.565 176.870 0.096 0.000 1.044 158 L CA -0.653 54.258 54.840 0.119 0.000 0.810 158 L CB 0.998 43.209 42.059 0.254 0.000 1.193 158 L HN -0.151 8.101 8.230 0.037 0.000 0.425 159 V N 8.751 128.702 119.914 0.062 0.000 2.448 159 V HA 0.947 5.341 4.120 0.050 -0.244 0.295 159 V C -1.625 174.495 176.094 0.042 0.000 1.025 159 V CA -1.649 60.678 62.300 0.045 0.000 0.859 159 V CB 2.386 34.222 31.823 0.022 0.000 0.988 159 V HN 0.085 8.308 8.190 0.055 0.000 0.431 160 A N 5.523 128.367 122.820 0.040 0.000 2.610 160 A HA 0.517 4.852 4.320 0.025 0.000 0.291 160 A C -1.830 175.767 177.584 0.023 0.000 1.086 160 A CA -1.167 50.888 52.037 0.030 0.000 0.677 160 A CB 3.520 22.540 19.000 0.033 0.000 1.278 160 A HN 0.175 8.351 8.150 0.044 0.000 0.414 161 A N -1.794 121.035 122.820 0.015 0.000 1.969 161 A HA -0.171 4.271 4.320 0.011 -0.115 0.218 161 A C -1.698 175.893 177.584 0.011 0.000 1.169 161 A CA 2.056 54.100 52.037 0.011 0.000 0.635 161 A CB 0.196 19.200 19.000 0.006 0.000 0.810 161 A HN 0.623 8.781 8.150 0.014 0.000 0.445 162 D N -7.358 113.049 120.400 0.011 0.000 2.725 162 D HA -0.035 4.612 4.640 0.011 0.000 0.292 162 D C -1.810 174.492 176.300 0.004 0.000 1.288 162 D CA -0.635 53.370 54.000 0.008 0.000 0.784 162 D CB 1.115 41.917 40.800 0.002 0.000 1.308 162 D HN -0.537 7.822 8.370 0.011 0.018 0.429 163 L N -1.491 119.731 121.223 -0.002 0.000 2.464 163 L HA 0.297 4.782 4.340 -0.008 -0.150 0.266 163 L C -0.166 176.693 176.870 -0.019 0.000 0.965 163 L CA -1.301 53.532 54.840 -0.011 0.000 0.833 163 L CB 3.322 45.366 42.059 -0.025 0.000 1.296 163 L HN -0.047 8.183 8.230 -0.000 0.000 0.405 164 T N -0.446 114.088 114.554 -0.033 0.000 2.909 164 T HA 0.443 4.753 4.350 -0.068 0.000 0.289 164 T C -0.233 174.401 174.700 -0.110 0.000 1.005 164 T CA -2.832 59.227 62.100 -0.069 0.000 1.084 164 T CB 0.761 69.585 68.868 -0.074 0.000 0.975 164 T HN -0.347 8.022 8.240 -0.025 -0.144 0.509 165 P HA -0.228 3.924 4.420 -0.447 0.000 0.218 165 P C 1.148 178.286 177.300 -0.270 0.000 1.152 165 P CA 2.593 65.418 63.100 -0.458 0.000 0.857 165 P CB 0.167 31.406 31.700 -0.767 0.000 0.787 166 S N -2.735 112.856 115.700 -0.180 0.000 2.382 166 S HA -0.411 4.060 4.470 0.002 0.000 0.228 166 S C 1.968 176.648 174.600 0.134 0.000 1.027 166 S CA 4.195 62.409 58.200 0.023 0.000 0.991 166 S CB -0.345 62.903 63.200 0.080 0.000 0.823 166 S HN 0.113 8.287 8.310 -0.190 0.022 0.469 167 E N -0.157 120.067 120.200 0.039 0.000 2.072 167 E HA -0.240 4.157 4.350 0.077 0.000 0.191 167 E C 2.146 178.767 176.600 0.036 0.000 0.985 167 E CA 2.603 59.031 56.400 0.047 0.000 0.801 167 E CB 0.065 29.775 29.700 0.017 0.000 0.750 167 E HN -0.270 7.979 8.360 -0.010 0.105 0.452 168 T N -2.227 112.310 114.554 -0.028 0.000 2.849 168 T HA -0.291 4.015 4.350 -0.072 0.000 0.270 168 T C 1.732 176.353 174.700 -0.132 0.000 1.066 168 T CA 3.351 65.393 62.100 -0.096 0.000 1.130 168 T CB -0.658 68.129 68.868 -0.135 0.000 0.864 168 T HN -0.519 7.695 8.240 -0.043 0.000 0.481 169 A N 2.936 125.719 122.820 -0.061 0.000 1.854 169 A HA -0.152 3.985 4.320 -0.306 0.000 0.214 169 A C 1.809 179.585 177.584 0.321 0.000 1.192 169 A CA 2.261 54.344 52.037 0.076 0.000 0.611 169 A CB -0.467 18.748 19.000 0.358 0.000 0.832 169 A HN -0.661 7.470 8.150 0.011 0.026 0.442 170 Q N -3.445 116.477 119.800 0.203 0.000 2.294 170 Q HA -0.073 4.354 4.340 0.145 0.000 0.256 170 Q C -1.335 174.760 176.000 0.158 0.000 0.907 170 Q CA -1.182 54.710 55.803 0.148 0.000 0.954 170 Q CB -1.274 27.510 28.738 0.077 0.000 1.102 170 Q HN -0.361 8.020 8.270 0.185 0.000 0.429 171 L N 0.423 121.790 121.223 0.239 0.000 2.295 171 L HA 0.158 4.585 4.340 0.146 0.000 0.285 171 L C -1.584 175.402 176.870 0.194 0.000 1.035 171 L CA -1.271 53.690 54.840 0.202 0.000 0.806 171 L CB 2.046 44.225 42.059 0.201 0.000 1.214 171 L HN -0.678 7.653 8.230 0.374 0.124 0.426 172 N N 6.261 125.047 118.700 0.143 0.000 2.415 172 N HA 0.039 4.820 4.740 0.068 0.000 0.250 172 N C 0.165 175.750 175.510 0.126 0.000 1.127 172 N CA 0.083 53.193 53.050 0.100 0.000 0.945 172 N CB 0.186 38.719 38.487 0.076 0.000 1.196 172 N HN 0.377 8.839 8.380 0.135 0.000 0.499 173 L N 3.591 124.871 121.223 0.095 0.000 2.046 173 L HA -0.333 4.161 4.340 0.256 0.000 0.208 173 L C 1.742 178.659 176.870 0.079 0.000 1.077 173 L CA 3.517 58.434 54.840 0.128 0.000 0.747 173 L CB -0.134 41.950 42.059 0.041 0.000 0.896 173 L HN 0.048 8.297 8.230 0.032 0.000 0.432 174 K N -2.545 117.877 120.400 0.036 0.000 2.211 174 K HA -0.152 4.178 4.320 0.016 0.000 0.203 174 K C 0.802 177.419 176.600 0.028 0.000 1.050 174 K CA 2.083 58.383 56.287 0.022 0.000 0.945 174 K CB -0.574 31.931 32.500 0.008 0.000 0.732 174 K HN 0.081 8.343 8.250 0.019 0.000 0.451 175 K N -3.217 117.209 120.400 0.044 0.000 2.379 175 K HA 0.020 4.358 4.320 0.031 0.000 0.194 175 K C -1.450 175.178 176.600 0.047 0.000 1.031 175 K CA 0.416 56.728 56.287 0.042 0.000 1.037 175 K CB 0.758 33.286 32.500 0.046 0.000 0.824 175 K HN -0.409 7.848 8.250 0.054 0.026 0.516 176 V N -0.422 119.532 119.914 0.066 0.000 2.347 176 V HA 0.350 4.718 4.120 0.037 -0.226 0.280 176 V C -0.284 175.771 176.094 -0.065 0.000 1.021 176 V CA -1.019 61.313 62.300 0.053 0.000 0.847 176 V CB 0.765 32.717 31.823 0.216 0.000 0.990 176 V HN -0.749 7.337 8.190 0.084 0.154 0.444 177 L N 5.549 126.705 121.223 -0.112 0.000 2.611 177 L HA 0.097 4.356 4.340 -0.134 0.000 0.229 177 L C -0.004 176.676 176.870 -0.316 0.000 1.137 177 L CA -0.009 54.735 54.840 -0.160 0.000 0.901 177 L CB -0.120 41.889 42.059 -0.084 0.000 1.098 177 L HN -0.168 8.016 8.230 -0.075 0.000 0.456 178 G N -3.729 104.755 108.800 -0.527 0.000 2.328 178 G HA2 0.040 3.463 3.960 -1.001 0.000 0.295 178 G HA3 0.040 3.741 3.960 -0.433 0.000 0.295 178 G C -2.538 171.863 174.900 -0.832 0.000 1.413 178 G CA 0.474 45.121 45.100 -0.755 0.000 0.817 178 G HN -0.810 7.127 8.290 -0.459 0.077 0.546 179 F N -1.944 118.004 119.950 -0.003 0.000 2.539 179 F HA 0.522 5.164 4.527 0.006 -0.111 0.318 179 F C -1.633 174.162 175.800 -0.008 0.000 1.135 179 F CA -1.623 56.378 58.000 0.003 0.000 0.915 179 F CB 3.395 42.405 39.000 0.016 0.000 1.176 179 F HN -0.480 7.576 8.300 -0.407 0.000 0.440 180 I N 3.457 124.119 120.570 0.154 0.000 2.499 180 I HA 0.841 5.260 4.170 0.069 -0.208 0.288 180 I C -1.458 174.699 176.117 0.067 0.000 1.048 180 I CA -1.117 60.227 61.300 0.074 0.000 1.062 180 I CB 3.549 41.561 38.000 0.020 0.000 1.238 180 I HN 1.017 9.329 8.210 0.169 0.000 0.426 181 T N 2.210 116.795 114.554 0.052 0.000 2.821 181 T HA 0.820 5.370 4.350 0.032 -0.181 0.306 181 T C -0.952 173.760 174.700 0.022 0.000 1.313 181 T CA -1.960 60.162 62.100 0.036 0.000 1.012 181 T CB 3.422 72.314 68.868 0.039 0.000 1.298 181 T HN 0.904 9.056 8.240 0.049 0.117 0.502 182 D N 0.611 121.020 120.400 0.015 0.000 2.427 182 D HA 0.185 5.001 4.640 0.006 -0.172 0.224 182 D C -0.446 175.858 176.300 0.008 0.000 1.157 182 D CA -1.850 52.155 54.000 0.008 0.000 0.828 182 D CB -0.792 40.011 40.800 0.004 0.000 0.974 182 D HN -0.168 8.211 8.370 0.015 0.000 0.498 183 A N -0.326 122.500 122.820 0.011 0.000 2.180 183 A HA -0.179 4.145 4.320 0.006 0.000 0.287 183 A C 1.045 178.634 177.584 0.007 0.000 1.417 183 A CA 0.999 53.041 52.037 0.009 0.000 0.858 183 A CB 0.359 19.366 19.000 0.011 0.000 1.208 183 A HN -1.106 6.971 8.150 0.015 0.082 0.522 184 G N -3.078 105.726 108.800 0.007 0.000 2.404 184 G HA2 -0.097 3.866 3.960 0.005 0.000 0.214 184 G HA3 -0.097 3.867 3.960 0.007 0.000 0.214 184 G C -0.652 174.253 174.900 0.008 0.000 1.189 184 G CA 0.299 45.403 45.100 0.007 0.000 0.789 184 G HN 0.469 8.764 8.290 0.008 0.000 0.533 185 G N -1.562 107.244 108.800 0.009 0.000 2.591 185 G HA2 -0.002 3.964 3.960 0.010 0.000 0.104 185 G HA3 -0.002 3.963 3.960 0.008 0.000 0.104 185 G C 0.415 175.321 174.900 0.009 0.000 1.097 185 G CA -0.121 44.984 45.100 0.009 0.000 1.076 185 G HN -0.868 7.429 8.290 0.011 0.000 0.485 186 R N 0.627 121.132 120.500 0.008 0.000 2.189 186 R HA -0.112 4.229 4.340 0.002 0.000 0.223 186 R C 0.304 176.608 176.300 0.006 0.000 1.092 186 R CA 1.507 57.610 56.100 0.004 0.000 0.989 186 R CB 0.024 30.326 30.300 0.003 0.000 0.876 186 R HN 0.258 8.532 8.270 0.007 0.000 0.457 187 T N -5.855 108.706 114.554 0.013 0.000 3.163 187 T HA -0.147 4.218 4.350 0.025 0.000 0.260 187 T C -0.184 174.533 174.700 0.028 0.000 1.156 187 T CA 0.626 62.739 62.100 0.022 0.000 1.072 187 T CB -0.560 68.321 68.868 0.023 0.000 0.937 187 T HN -0.424 7.786 8.240 0.012 0.037 0.528 188 S N 2.274 117.987 115.700 0.022 0.000 2.499 188 S HA 0.114 4.610 4.470 0.043 0.000 0.279 188 S C -0.108 174.518 174.600 0.043 0.000 1.219 188 S CA 0.036 58.256 58.200 0.033 0.000 1.062 188 S CB 1.545 64.757 63.200 0.021 0.000 0.978 188 S HN -0.753 7.474 8.310 0.014 0.091 0.489 189 H N 7.487 126.534 119.070 -0.038 0.000 2.321 189 H HA -0.391 4.139 4.556 -0.043 0.000 0.295 189 H C 1.432 176.715 175.328 -0.075 0.000 1.102 189 H CA 4.567 60.581 56.048 -0.056 0.000 1.266 189 H CB 0.111 29.829 29.762 -0.074 0.000 1.363 189 H HN 0.788 9.161 8.280 0.154 0.000 0.492 190 T N -1.923 112.640 114.554 0.015 0.000 2.759 190 T HA -0.404 3.854 4.350 -0.153 0.000 0.269 190 T C 1.852 176.483 174.700 -0.114 0.000 1.042 190 T CA 3.629 65.671 62.100 -0.097 0.000 1.140 190 T CB -0.636 68.190 68.868 -0.069 0.000 0.864 190 T HN 0.294 8.600 8.240 0.109 0.000 0.455 191 S N 1.291 116.958 115.700 -0.056 0.000 2.368 191 S HA -0.248 4.227 4.470 0.007 0.000 0.225 191 S C 2.217 176.788 174.600 -0.049 0.000 1.030 191 S CA 3.602 61.787 58.200 -0.025 0.000 0.999 191 S CB -0.606 62.590 63.200 -0.006 0.000 0.844 191 S HN -0.724 7.469 8.310 -0.031 0.099 0.459 192 I N 1.409 121.918 120.570 -0.102 0.000 2.226 192 I HA -0.534 3.598 4.170 -0.064 0.000 0.245 192 I C 1.670 177.713 176.117 -0.123 0.000 1.100 192 I CA 3.710 64.941 61.300 -0.114 0.000 1.374 192 I CB -0.112 37.790 38.000 -0.162 0.000 1.057 192 I HN -0.578 7.563 8.210 -0.116 0.000 0.413 193 M N -1.203 118.277 119.600 -0.200 0.000 2.159 193 M HA -0.475 3.942 4.480 -0.105 0.000 0.263 193 M C 1.875 178.178 176.300 0.004 0.000 1.063 193 M CA 4.155 59.377 55.300 -0.130 0.000 1.110 193 M CB -0.281 32.194 32.600 -0.209 0.000 1.374 193 M HN -0.501 7.615 8.290 -0.289 0.000 0.411 194 A N -0.872 121.969 122.820 0.035 0.000 1.908 194 A HA -0.445 4.077 4.320 0.336 0.000 0.218 194 A C 1.777 179.429 177.584 0.114 0.000 1.181 194 A CA 3.301 55.449 52.037 0.184 0.000 0.627 194 A CB -0.825 18.306 19.000 0.218 0.000 0.818 194 A HN -0.010 8.125 8.150 -0.025 0.000 0.445 195 R N -2.611 117.922 120.500 0.054 0.000 2.080 195 R HA -0.291 4.074 4.340 0.040 0.000 0.236 195 R C 3.067 179.390 176.300 0.039 0.000 1.137 195 R CA 2.899 59.021 56.100 0.036 0.000 0.943 195 R CB -0.022 30.285 30.300 0.012 0.000 0.846 195 R HN -0.634 7.652 8.270 0.030 0.002 0.431 196 S N -1.263 114.457 115.700 0.033 0.000 2.406 196 S HA -0.219 4.270 4.470 0.032 0.000 0.228 196 S C 1.831 176.471 174.600 0.068 0.000 1.020 196 S CA 2.811 61.035 58.200 0.040 0.000 0.965 196 S CB 0.159 63.377 63.200 0.031 0.000 0.798 196 S HN -0.676 7.645 8.310 0.017 0.000 0.488 197 L N -0.712 120.572 121.223 0.102 0.000 2.275 197 L HA -0.172 4.240 4.340 0.119 0.000 0.215 197 L C -0.103 176.826 176.870 0.099 0.000 1.119 197 L CA 1.561 56.481 54.840 0.135 0.000 0.790 197 L CB 0.420 42.623 42.059 0.239 0.000 0.919 197 L HN 0.185 8.276 8.230 0.104 0.201 0.443 198 E N -5.693 114.556 120.200 0.081 0.000 2.340 198 E HA -0.418 3.958 4.350 0.043 0.000 0.240 198 E C -1.497 175.124 176.600 0.036 0.000 1.154 198 E CA 1.048 57.478 56.400 0.049 0.000 0.717 198 E CB -2.601 27.120 29.700 0.035 0.000 1.250 198 E HN -0.429 7.832 8.360 0.085 0.149 0.386 199 L N -2.030 119.219 121.223 0.043 0.000 2.370 199 L HA 0.469 4.783 4.340 -0.044 0.000 0.266 199 L C -2.439 174.398 176.870 -0.056 0.000 1.002 199 L CA -3.437 51.383 54.840 -0.034 0.000 0.818 199 L CB 1.492 43.491 42.059 -0.100 0.000 1.325 199 L HN -0.924 7.358 8.230 0.086 0.000 0.418 200 P HA -0.058 4.518 4.420 -0.049 -0.186 0.268 200 P C -1.600 175.638 177.300 -0.103 0.000 1.204 200 P CA -0.201 62.845 63.100 -0.090 0.000 0.768 200 P CB 0.306 31.937 31.700 -0.116 0.000 0.842 201 A N 1.345 124.146 122.820 -0.030 0.000 2.590 201 A HA 0.589 4.992 4.320 -0.018 -0.094 0.294 201 A C -2.417 175.188 177.584 0.035 0.000 1.046 201 A CA -0.082 51.968 52.037 0.022 0.000 0.684 201 A CB 3.680 22.779 19.000 0.165 0.000 1.279 201 A HN -0.320 7.820 8.150 -0.017 0.000 0.415 202 I N -0.681 119.912 120.570 0.039 0.000 2.608 202 I HA 0.362 4.545 4.170 0.021 0.000 0.295 202 I C -1.184 174.957 176.117 0.039 0.000 1.049 202 I CA -0.739 60.576 61.300 0.025 0.000 1.063 202 I CB 4.097 42.098 38.000 0.001 0.000 1.248 202 I HN 0.157 8.396 8.210 0.049 0.000 0.424 203 V N 0.228 120.159 119.914 0.029 0.000 3.451 203 V HA 0.545 4.782 4.120 0.035 -0.096 0.288 203 V C 0.329 176.433 176.094 0.015 0.000 1.502 203 V CA -0.331 61.986 62.300 0.028 0.000 1.026 203 V CB 1.162 33.002 31.823 0.028 0.000 0.840 203 V HN 0.446 8.649 8.190 0.021 0.000 0.437 204 G N -0.834 107.972 108.800 0.009 0.000 3.605 204 G HA2 0.235 4.198 3.960 0.004 0.000 0.277 204 G HA3 0.235 4.197 3.960 0.002 0.000 0.277 204 G C 1.134 176.033 174.900 -0.002 0.000 1.093 204 G CA -0.026 45.076 45.100 0.003 0.000 0.821 204 G HN -0.213 8.083 8.290 0.009 0.000 0.532 205 T N 0.361 114.914 114.554 -0.002 0.000 2.680 205 T HA -0.395 3.946 4.350 -0.015 0.000 0.268 205 T C 1.700 176.394 174.700 -0.010 0.000 1.033 205 T CA 3.177 65.271 62.100 -0.009 0.000 1.152 205 T CB -0.149 68.715 68.868 -0.007 0.000 0.859 205 T HN -0.626 7.543 8.240 0.004 0.073 0.452 206 G N 1.672 110.469 108.800 -0.005 0.000 2.812 206 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.219 206 G HA3 -0.297 3.658 3.960 -0.007 0.000 0.219 206 G C -0.829 174.068 174.900 -0.005 0.000 1.275 206 G CA 0.435 45.532 45.100 -0.005 0.000 0.769 206 G HN 0.390 8.674 8.290 -0.001 0.006 0.527 207 S N -1.506 114.190 115.700 -0.007 0.000 2.865 207 S HA 0.161 4.629 4.470 -0.003 0.000 0.240 207 S C -0.021 174.574 174.600 -0.008 0.000 0.795 207 S CA -0.853 57.343 58.200 -0.006 0.000 1.073 207 S CB 0.901 64.097 63.200 -0.007 0.000 1.393 207 S HN -0.614 7.619 8.310 -0.010 0.071 0.491 208 V N 2.622 122.530 119.914 -0.009 0.000 2.453 208 V HA -0.263 3.848 4.120 -0.015 0.000 0.247 208 V C 1.548 177.640 176.094 -0.004 0.000 1.048 208 V CA 3.218 65.512 62.300 -0.011 0.000 1.049 208 V CB 0.164 31.978 31.823 -0.015 0.000 0.672 208 V HN -0.240 7.946 8.190 -0.007 0.000 0.457 209 T N -2.766 111.789 114.554 0.001 0.000 2.803 209 T HA -0.395 3.959 4.350 0.007 0.000 0.269 209 T C 1.070 175.773 174.700 0.005 0.000 1.052 209 T CA 3.521 65.625 62.100 0.006 0.000 1.136 209 T CB -0.543 68.330 68.868 0.008 0.000 0.864 209 T HN 0.202 8.442 8.240 0.001 0.000 0.467 210 S N -1.597 114.104 115.700 0.003 0.000 2.406 210 S HA -0.185 4.288 4.470 0.004 0.000 0.228 210 S C 0.653 175.255 174.600 0.003 0.000 1.020 210 S CA 2.131 60.333 58.200 0.003 0.000 0.965 210 S CB -0.165 63.035 63.200 0.001 0.000 0.798 210 S HN 0.150 8.442 8.310 0.001 0.019 0.488 211 Q N -1.643 118.158 119.800 0.001 0.000 2.425 211 Q HA -0.035 4.308 4.340 0.004 0.000 0.204 211 Q C 0.221 176.225 176.000 0.007 0.000 0.933 211 Q CA 0.408 56.213 55.803 0.003 0.000 0.939 211 Q CB 0.863 29.600 28.738 -0.003 0.000 1.044 211 Q HN -0.666 7.479 8.270 -0.001 0.124 0.513 212 V N -0.172 119.746 119.914 0.008 0.000 2.427 212 V HA 0.025 4.154 4.120 0.016 0.000 0.286 212 V C -0.804 175.299 176.094 0.016 0.000 1.034 212 V CA -0.918 61.389 62.300 0.012 0.000 0.893 212 V CB 0.978 32.806 31.823 0.007 0.000 0.982 212 V HN -0.635 7.388 8.190 0.005 0.170 0.452 213 K N 6.302 126.715 120.400 0.021 0.000 2.203 213 K HA 0.378 4.710 4.320 0.019 0.000 0.251 213 K C -0.761 175.855 176.600 0.026 0.000 0.944 213 K CA -3.834 52.466 56.287 0.022 0.000 0.829 213 K CB 1.847 34.361 32.500 0.024 0.000 1.125 213 K HN 0.865 9.539 8.250 0.025 -0.408 0.430 214 N N 3.192 121.907 118.700 0.025 0.000 2.356 214 N HA -0.264 4.675 4.740 0.027 -0.183 0.252 214 N C 0.560 176.091 175.510 0.035 0.000 1.241 214 N CA 1.028 54.094 53.050 0.028 0.000 0.861 214 N CB -0.512 37.990 38.487 0.025 0.000 1.075 214 N HN 0.292 8.685 8.380 0.022 0.000 0.461 215 D N -0.934 119.490 120.400 0.040 0.000 2.839 215 D HA -0.435 4.239 4.640 0.057 0.000 0.194 215 D C -0.802 175.543 176.300 0.075 0.000 0.988 215 D CA 1.171 55.203 54.000 0.054 0.000 1.009 215 D CB -1.144 39.685 40.800 0.048 0.000 1.067 215 D HN 0.197 8.588 8.370 0.035 0.000 0.444 216 D N 0.283 120.722 120.400 0.066 0.000 2.362 216 D HA 0.034 4.737 4.640 0.105 0.000 0.242 216 D C -1.053 175.320 176.300 0.121 0.000 1.132 216 D CA 0.191 54.245 54.000 0.090 0.000 0.907 216 D CB 0.770 41.607 40.800 0.062 0.000 1.195 216 D HN -0.339 7.980 8.370 0.048 0.080 0.429 217 Y N 1.383 121.706 120.300 0.039 0.000 2.341 217 Y HA 0.104 4.814 4.550 0.050 -0.130 0.340 217 Y C -1.674 174.261 175.900 0.058 0.000 0.997 217 Y CA 0.371 58.501 58.100 0.050 0.000 1.149 217 Y CB 1.197 39.690 38.460 0.054 0.000 1.171 217 Y HN 0.208 8.638 8.280 0.249 0.000 0.494 218 L N 6.131 127.160 121.223 -0.324 0.000 2.370 218 L HA 0.768 5.284 4.340 0.017 -0.166 0.266 218 L C -1.378 175.332 176.870 -0.267 0.000 1.002 218 L CA -1.859 52.889 54.840 -0.153 0.000 0.818 218 L CB 4.292 46.290 42.059 -0.103 0.000 1.325 218 L HN 0.233 8.147 8.230 -0.528 0.000 0.418 219 I N -0.381 120.145 120.570 -0.074 0.000 2.406 219 I HA 0.419 4.535 4.170 -0.309 -0.132 0.290 219 I C -1.773 174.263 176.117 -0.136 0.000 0.999 219 I CA -1.222 59.989 61.300 -0.148 0.000 1.124 219 I CB 3.071 41.083 38.000 0.021 0.000 1.289 219 I HN -0.039 8.203 8.210 0.052 0.000 0.441 220 L N 7.052 128.107 121.223 -0.282 0.000 2.265 220 L HA 0.464 4.746 4.340 -0.096 0.000 0.289 220 L C -1.498 175.255 176.870 -0.194 0.000 1.033 220 L CA -1.209 53.521 54.840 -0.184 0.000 0.814 220 L CB 2.250 44.194 42.059 -0.192 0.000 1.203 220 L HN 0.467 8.432 8.230 -0.443 0.000 0.423 221 D N 8.998 129.360 120.400 -0.063 0.000 2.162 221 D HA -0.207 4.383 4.640 -0.084 0.000 0.205 221 D C 0.454 176.724 176.300 -0.050 0.000 0.964 221 D CA 1.591 55.571 54.000 -0.034 0.000 0.847 221 D CB 0.983 41.834 40.800 0.084 0.000 0.988 221 D HN -0.135 8.230 8.370 -0.008 0.000 0.480 222 A N -4.940 117.854 122.820 -0.043 0.000 2.822 222 A HA -0.410 3.892 4.320 -0.030 0.000 0.279 222 A C -0.854 176.719 177.584 -0.019 0.000 1.356 222 A CA 1.835 53.849 52.037 -0.037 0.000 0.961 222 A CB -0.985 17.981 19.000 -0.057 0.000 0.977 222 A HN 0.412 8.539 8.150 -0.039 0.000 0.650 223 V N -4.988 114.922 119.914 -0.007 0.000 3.219 223 V HA -0.086 4.035 4.120 0.002 0.000 0.240 223 V C 0.408 176.511 176.094 0.014 0.000 1.222 223 V CA 1.361 63.664 62.300 0.005 0.000 1.181 223 V CB 1.101 32.930 31.823 0.010 0.000 0.941 223 V HN -0.163 8.045 8.190 -0.002 -0.019 0.471 224 N N -1.176 117.537 118.700 0.023 0.000 2.184 224 N HA 0.169 4.922 4.740 0.021 0.000 0.206 224 N C -1.309 174.207 175.510 0.009 0.000 1.151 224 N CA -0.381 52.685 53.050 0.027 0.000 0.878 224 N CB 0.593 39.115 38.487 0.057 0.000 1.014 224 N HN -0.122 8.483 8.380 0.027 -0.209 0.512 225 N N -2.033 116.666 118.700 -0.001 0.000 2.727 225 N HA -0.397 4.330 4.740 -0.021 0.000 0.251 225 N C -2.395 173.091 175.510 -0.040 0.000 1.040 225 N CA 0.556 53.594 53.050 -0.019 0.000 0.712 225 N CB -0.389 38.088 38.487 -0.016 0.000 0.912 225 N HN -0.058 8.346 8.380 0.002 -0.023 0.545 226 Q N -3.408 116.364 119.800 -0.047 0.000 2.389 226 Q HA 0.470 4.901 4.340 -0.151 -0.182 0.277 226 Q C -1.910 173.988 176.000 -0.169 0.000 1.082 226 Q CA -1.627 54.090 55.803 -0.142 0.000 0.810 226 Q CB 5.153 33.776 28.738 -0.191 0.000 1.374 226 Q HN -0.111 8.151 8.270 -0.014 0.000 0.422 227 V N 1.615 121.375 119.914 -0.256 0.000 2.448 227 V HA 0.432 4.656 4.120 -0.065 -0.143 0.295 227 V C -0.515 175.401 176.094 -0.297 0.000 1.025 227 V CA -1.296 60.901 62.300 -0.172 0.000 0.859 227 V CB 1.462 33.221 31.823 -0.106 0.000 0.988 227 V HN 0.217 8.240 8.190 -0.279 0.000 0.431 228 Y N 7.596 127.886 120.300 -0.018 0.000 2.335 228 Y HA 0.104 4.665 4.550 0.018 0.000 0.339 228 Y C -1.004 174.917 175.900 0.036 0.000 0.987 228 Y CA -0.930 57.181 58.100 0.018 0.000 1.140 228 Y CB 1.453 39.936 38.460 0.038 0.000 1.173 228 Y HN 0.010 8.412 8.280 0.205 0.000 0.486 229 V N 5.141 125.141 119.914 0.142 0.000 2.333 229 V HA 0.020 4.212 4.120 0.119 0.000 0.274 229 V C -0.334 175.853 176.094 0.154 0.000 1.028 229 V CA -0.910 61.461 62.300 0.120 0.000 0.851 229 V CB 0.028 31.887 31.823 0.060 0.000 1.000 229 V HN 0.363 8.610 8.190 0.095 0.000 0.456 230 N N 6.854 125.673 118.700 0.199 0.000 2.641 230 N HA -0.256 4.608 4.740 0.206 0.000 0.267 230 N C -2.140 173.455 175.510 0.142 0.000 1.087 230 N CA -0.276 52.877 53.050 0.171 0.000 0.731 230 N CB -0.035 38.519 38.487 0.113 0.000 0.886 230 N HN -0.159 8.366 8.380 0.242 0.000 0.547 231 P HA 0.288 4.787 4.420 0.131 0.000 0.290 231 P C -0.722 176.612 177.300 0.057 0.000 1.275 231 P CA -0.475 62.700 63.100 0.125 0.000 0.841 231 P CB 0.590 32.370 31.700 0.134 0.000 1.042 232 T N 2.051 116.627 114.554 0.036 0.000 2.766 232 T HA -0.091 4.259 4.350 -0.001 0.000 0.295 232 T C 0.979 175.674 174.700 -0.009 0.000 1.024 232 T CA -0.134 61.970 62.100 0.008 0.000 1.018 232 T CB 1.000 69.874 68.868 0.009 0.000 1.002 232 T HN -0.121 8.148 8.240 0.049 0.000 0.532 233 N N 2.092 120.778 118.700 -0.022 0.000 2.149 233 N HA -0.361 4.357 4.740 -0.036 0.000 0.188 233 N C 1.910 177.404 175.510 -0.026 0.000 1.019 233 N CA 3.501 56.532 53.050 -0.031 0.000 0.857 233 N CB 0.050 38.515 38.487 -0.036 0.000 0.997 233 N HN 0.377 8.743 8.380 -0.023 0.000 0.426 234 E N -0.928 119.260 120.200 -0.019 0.000 2.110 234 E HA -0.245 4.094 4.350 -0.019 0.000 0.193 234 E C 2.262 178.848 176.600 -0.024 0.000 0.988 234 E CA 3.092 59.482 56.400 -0.017 0.000 0.804 234 E CB -0.682 29.013 29.700 -0.009 0.000 0.745 234 E HN 0.431 8.774 8.360 -0.015 0.008 0.458 235 V N -0.271 119.627 119.914 -0.026 0.000 2.343 235 V HA -0.387 3.706 4.120 -0.046 0.000 0.247 235 V C 2.020 178.054 176.094 -0.099 0.000 1.051 235 V CA 3.728 65.994 62.300 -0.056 0.000 1.036 235 V CB -0.166 31.631 31.823 -0.042 0.000 0.654 235 V HN -0.814 7.271 8.190 -0.015 0.096 0.451 236 I N -0.206 120.323 120.570 -0.068 0.000 2.226 236 I HA -0.618 3.509 4.170 -0.071 0.000 0.245 236 I C 1.461 177.556 176.117 -0.036 0.000 1.100 236 I CA 4.535 65.808 61.300 -0.045 0.000 1.374 236 I CB -0.599 37.401 38.000 -0.000 0.000 1.057 236 I HN -0.420 7.764 8.210 -0.043 0.000 0.413 237 D N -0.129 120.249 120.400 -0.035 0.000 2.123 237 D HA -0.380 4.243 4.640 -0.028 0.000 0.196 237 D C 2.068 178.352 176.300 -0.026 0.000 0.992 237 D CA 4.058 58.040 54.000 -0.029 0.000 0.833 237 D CB -0.117 40.667 40.800 -0.026 0.000 0.954 237 D HN -0.023 8.325 8.370 -0.035 0.000 0.455 238 K N -0.603 119.776 120.400 -0.035 0.000 2.057 238 K HA -0.313 3.996 4.320 -0.017 0.000 0.206 238 K C 2.535 179.114 176.600 -0.035 0.000 1.050 238 K CA 3.081 59.350 56.287 -0.030 0.000 0.935 238 K CB -0.085 32.397 32.500 -0.031 0.000 0.715 238 K HN -0.582 7.555 8.250 -0.041 0.088 0.439 239 M N -1.406 118.153 119.600 -0.068 0.000 2.229 239 M HA -0.330 4.120 4.480 -0.051 0.000 0.264 239 M C 2.065 178.372 176.300 0.012 0.000 1.063 239 M CA 4.055 59.320 55.300 -0.059 0.000 1.114 239 M CB 0.029 32.542 32.600 -0.144 0.000 1.387 239 M HN -0.203 7.954 8.290 -0.093 0.077 0.420 240 R N -1.555 118.955 120.500 0.017 0.000 2.092 240 R HA -0.274 4.108 4.340 0.070 0.000 0.231 240 R C 2.127 178.438 176.300 0.018 0.000 1.119 240 R CA 2.742 58.860 56.100 0.030 0.000 0.970 240 R CB -0.613 29.684 30.300 -0.005 0.000 0.864 240 R HN 0.655 8.707 8.270 -0.004 0.215 0.440 241 A N -0.177 122.646 122.820 0.005 0.000 1.908 241 A HA -0.136 4.398 4.320 0.003 -0.213 0.218 241 A C 2.182 179.773 177.584 0.012 0.000 1.181 241 A CA 2.891 54.931 52.037 0.005 0.000 0.627 241 A CB -0.682 18.318 19.000 0.000 0.000 0.818 241 A HN -0.135 8.014 8.150 -0.002 0.000 0.445 242 V N -0.415 119.508 119.914 0.015 0.000 2.343 242 V HA -0.484 3.646 4.120 0.017 0.000 0.247 242 V C 1.736 177.846 176.094 0.027 0.000 1.051 242 V CA 4.204 66.517 62.300 0.020 0.000 1.036 242 V CB -0.455 31.381 31.823 0.023 0.000 0.654 242 V HN -0.646 7.550 8.190 0.011 0.000 0.451 243 Q N -0.234 119.589 119.800 0.038 0.000 2.096 243 Q HA -0.434 3.933 4.340 0.046 0.000 0.204 243 Q C 2.246 178.266 176.000 0.032 0.000 0.982 243 Q CA 3.611 59.442 55.803 0.048 0.000 0.850 243 Q CB -0.256 28.530 28.738 0.080 0.000 0.901 243 Q HN -0.505 7.706 8.270 0.041 0.084 0.422 244 E N -0.620 119.594 120.200 0.023 0.000 2.077 244 E HA -0.447 3.912 4.350 0.014 0.000 0.193 244 E C 2.122 178.730 176.600 0.013 0.000 0.989 244 E CA 2.963 59.371 56.400 0.014 0.000 0.800 244 E CB -0.419 29.286 29.700 0.007 0.000 0.746 244 E HN -0.415 7.864 8.360 0.023 0.095 0.452 245 Q N 0.012 119.821 119.800 0.014 0.000 2.084 245 Q HA -0.302 4.044 4.340 0.010 0.000 0.202 245 Q C 2.480 178.488 176.000 0.013 0.000 0.978 245 Q CA 3.216 59.026 55.803 0.012 0.000 0.844 245 Q CB -0.100 28.646 28.738 0.013 0.000 0.898 245 Q HN -0.483 7.704 8.270 0.015 0.091 0.426 246 V N 0.165 120.089 119.914 0.017 0.000 2.343 246 V HA -0.416 3.713 4.120 0.015 0.000 0.247 246 V C 1.775 177.878 176.094 0.015 0.000 1.051 246 V CA 3.745 66.055 62.300 0.017 0.000 1.036 246 V CB -0.505 31.331 31.823 0.021 0.000 0.654 246 V HN -0.390 7.721 8.190 0.020 0.091 0.451 247 A N -1.265 121.564 122.820 0.016 0.000 1.908 247 A HA -0.354 3.974 4.320 0.014 0.000 0.218 247 A C 2.178 179.768 177.584 0.010 0.000 1.181 247 A CA 3.366 55.411 52.037 0.013 0.000 0.627 247 A CB -1.106 17.902 19.000 0.013 0.000 0.818 247 A HN -0.157 7.920 8.150 0.018 0.084 0.445 248 S N -1.758 113.947 115.700 0.009 0.000 2.368 248 S HA -0.322 4.152 4.470 0.006 0.000 0.224 248 S C 2.294 176.898 174.600 0.007 0.000 1.029 248 S CA 3.625 61.829 58.200 0.007 0.000 0.988 248 S CB -0.180 63.023 63.200 0.006 0.000 0.838 248 S HN -0.433 7.883 8.310 0.010 0.000 0.462 249 E N 0.583 120.788 120.200 0.008 0.000 2.153 249 E HA -0.326 4.028 4.350 0.007 0.000 0.194 249 E C 1.394 177.998 176.600 0.008 0.000 0.988 249 E CA 2.460 58.865 56.400 0.008 0.000 0.811 249 E CB -0.082 29.624 29.700 0.009 0.000 0.746 249 E HN -0.499 7.787 8.360 0.009 0.079 0.466 250 K N -2.147 118.258 120.400 0.008 0.000 2.063 250 K HA -0.215 4.110 4.320 0.008 0.000 0.208 250 K C 1.451 178.055 176.600 0.007 0.000 1.048 250 K CA 1.971 58.263 56.287 0.008 0.000 0.928 250 K CB -0.225 32.281 32.500 0.009 0.000 0.713 250 K HN -0.326 7.815 8.250 0.009 0.115 0.442 251 A N -3.214 119.609 122.820 0.006 0.000 1.933 251 A HA -0.133 4.189 4.320 0.005 0.000 0.218 251 A C -0.052 177.534 177.584 0.005 0.000 1.175 251 A CA 1.216 53.255 52.037 0.005 0.000 0.628 251 A CB 0.077 19.080 19.000 0.004 0.000 0.814 251 A HN -0.610 7.539 8.150 0.006 0.005 0.444 252 E N -4.758 115.445 120.200 0.005 0.000 3.170 252 E HA -0.431 3.922 4.350 0.005 0.000 0.284 252 E C 1.053 177.656 176.600 0.004 0.000 0.967 252 E CA 1.253 57.656 56.400 0.004 0.000 0.919 252 E CB -1.096 28.607 29.700 0.004 0.000 1.469 252 E HN -0.701 7.569 8.360 0.005 0.094 0.444 253 L N -1.958 119.267 121.223 0.003 0.000 2.201 253 L HA -0.212 4.129 4.340 0.003 0.000 0.212 253 L C 1.618 178.490 176.870 0.003 0.000 1.105 253 L CA 2.107 56.949 54.840 0.003 0.000 0.775 253 L CB -0.496 41.565 42.059 0.003 0.000 0.913 253 L HN 0.308 8.489 8.230 0.004 0.051 0.440 254 A N -2.388 120.434 122.820 0.003 0.000 2.104 254 A HA -0.303 4.019 4.320 0.003 0.000 0.223 254 A C 0.433 178.019 177.584 0.003 0.000 1.164 254 A CA 1.549 53.588 52.037 0.003 0.000 0.659 254 A CB -0.415 18.587 19.000 0.003 0.000 0.808 254 A HN 0.059 8.181 8.150 0.003 0.030 0.465 255 K N -2.137 118.265 120.400 0.003 0.000 2.180 255 K HA -0.146 4.176 4.320 0.003 0.000 0.251 255 K C 0.718 177.320 176.600 0.002 0.000 1.014 255 K CA -0.583 55.706 56.287 0.003 0.000 0.913 255 K CB 0.492 32.993 32.500 0.003 0.000 1.008 255 K HN -0.914 7.273 8.250 0.003 0.065 0.490 256 L N -0.357 120.867 121.223 0.002 0.000 2.079 256 L HA -0.249 4.092 4.340 0.002 0.000 0.210 256 L C 0.395 177.266 176.870 0.002 0.000 1.081 256 L CA 2.010 56.851 54.840 0.002 0.000 0.752 256 L CB -0.256 41.804 42.059 0.002 0.000 0.896 256 L HN 0.255 8.486 8.230 0.002 0.000 0.433 257 K N -3.103 117.298 120.400 0.002 0.000 2.527 257 K HA 0.085 4.406 4.320 0.002 0.000 0.260 257 K C -1.730 174.872 176.600 0.002 0.000 0.937 257 K CA -0.757 55.531 56.287 0.002 0.000 0.826 257 K CB 1.573 34.074 32.500 0.002 0.000 1.359 257 K HN -0.769 7.470 8.250 0.002 0.013 0.434 258 D N 1.666 122.067 120.400 0.002 0.000 2.895 258 D HA 0.070 4.711 4.640 0.002 0.000 0.350 258 D C 0.001 176.303 176.300 0.002 0.000 1.389 258 D CA -0.156 53.846 54.000 0.002 0.000 0.812 258 D CB 0.017 40.819 40.800 0.002 0.000 1.164 258 D HN -0.070 8.301 8.370 0.002 0.000 0.455 259 R N 0.000 120.501 120.500 0.002 0.000 2.786 259 R HA 0.000 4.341 4.340 0.002 0.000 0.208 259 R CA 0.000 56.101 56.100 0.002 0.000 0.921 259 R CB 0.000 30.301 30.300 0.002 0.000 0.687 259 R HN 0.000 8.271 8.270 0.002 0.000 0.535