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 3eza_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 AVQEQVASE 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 4.433 4.480 -0.078 0.000 0.227 1 M C 0.000 176.266 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.039 0.000 1.302 2 I N 3.583 124.110 120.570 -0.072 0.000 2.354 2 I HA 0.229 4.374 4.170 -0.042 0.000 0.292 2 I C -1.293 174.792 176.117 -0.052 0.000 0.989 2 I CA -0.134 61.132 61.300 -0.056 0.000 1.188 2 I CB 0.826 38.790 38.000 -0.059 0.000 1.342 2 I HN 0.028 8.178 8.210 -0.099 0.000 0.457 3 S N 6.193 121.871 115.700 -0.036 0.000 2.526 3 S HA 0.786 5.421 4.470 -0.034 -0.185 0.293 3 S C -0.870 173.719 174.600 -0.020 0.000 1.092 3 S CA -0.968 57.215 58.200 -0.029 0.000 0.980 3 S CB 3.472 66.659 63.200 -0.023 0.000 1.048 3 S HN 0.228 8.520 8.310 -0.030 0.000 0.483 4 G N 0.706 109.496 108.800 -0.016 0.000 3.217 4 G HA2 0.420 4.525 3.960 -0.007 0.000 0.213 4 G HA3 0.420 4.376 3.960 -0.007 0.000 0.213 4 G C -1.301 173.596 174.900 -0.004 0.000 1.294 4 G CA -1.409 43.686 45.100 -0.009 0.000 0.987 4 G HN 0.157 8.743 8.290 -0.018 -0.308 0.584 5 I N -0.963 119.608 120.570 0.001 0.000 3.603 5 I HA -0.041 4.130 4.170 0.001 0.000 0.297 5 I C -0.603 175.517 176.117 0.004 0.000 1.269 5 I CA 0.248 61.549 61.300 0.003 0.000 1.361 5 I CB 0.546 38.549 38.000 0.005 0.000 1.063 5 I HN 0.236 8.448 8.210 0.003 0.000 0.448 6 L N -1.131 120.095 121.223 0.006 0.000 3.121 6 L HA -0.381 3.964 4.340 0.009 0.000 0.581 6 L C -0.685 176.194 176.870 0.014 0.000 1.002 6 L CA 0.451 55.295 54.840 0.008 0.000 1.291 6 L CB -0.132 41.929 42.059 0.003 0.000 1.409 6 L HN -0.777 7.417 8.230 0.005 0.039 0.691 7 A N 5.606 128.440 122.820 0.023 0.000 2.063 7 A HA 0.033 4.363 4.320 0.018 0.000 0.211 7 A C -0.999 176.603 177.584 0.031 0.000 1.177 7 A CA 0.546 52.599 52.037 0.026 0.000 0.759 7 A CB 1.659 20.679 19.000 0.034 0.000 0.857 7 A HN 0.585 8.752 8.150 0.030 0.000 0.468 8 S N -2.306 113.416 115.700 0.035 0.000 2.619 8 S HA 0.500 4.988 4.470 0.029 0.000 0.280 8 S C -2.777 171.834 174.600 0.018 0.000 1.150 8 S CA -2.167 56.053 58.200 0.034 0.000 0.978 8 S CB 2.310 65.544 63.200 0.058 0.000 1.041 8 S HN -0.841 7.489 8.310 0.034 0.000 0.485 9 P HA 0.394 4.996 4.420 0.000 -0.182 0.284 9 P C -0.730 176.570 177.300 0.000 0.000 1.253 9 P CA -1.360 61.743 63.100 0.005 0.000 0.800 9 P CB 0.774 32.478 31.700 0.008 0.000 0.961 10 G N 0.412 109.206 108.800 -0.011 0.000 2.344 10 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.282 10 G HA3 -0.009 3.941 3.960 -0.016 0.000 0.282 10 G C -3.186 171.688 174.900 -0.043 0.000 1.281 10 G CA -0.075 45.016 45.100 -0.015 0.000 0.877 10 G HN -0.604 7.677 8.290 -0.014 0.000 0.494 11 I N -1.323 119.211 120.570 -0.060 0.000 2.913 11 I HA 0.603 4.863 4.170 -0.190 -0.204 0.302 11 I C -1.498 174.485 176.117 -0.223 0.000 1.246 11 I CA -1.398 59.809 61.300 -0.156 0.000 1.010 11 I CB 4.206 42.144 38.000 -0.104 0.000 1.259 11 I HN 0.037 8.227 8.210 -0.034 0.000 0.434 12 A N 3.578 126.102 122.820 -0.494 0.000 2.604 12 A HA 0.425 4.687 4.320 -0.096 0.000 0.295 12 A C -2.705 174.430 177.584 -0.747 0.000 1.067 12 A CA -0.402 51.401 52.037 -0.391 0.000 0.683 12 A CB 3.194 22.068 19.000 -0.211 0.000 1.281 12 A HN 0.226 8.004 8.150 -0.620 0.000 0.407 13 F N -0.548 119.352 119.950 -0.084 0.000 2.539 13 F HA 0.840 5.248 4.527 -0.198 0.000 0.318 13 F C 0.417 176.072 175.800 -0.241 0.000 1.135 13 F CA -1.677 56.240 58.000 -0.139 0.000 0.915 13 F CB 3.010 42.027 39.000 0.028 0.000 1.176 13 F HN 0.087 8.567 8.300 0.300 0.000 0.440 14 G N 1.617 110.195 108.800 -0.371 0.000 2.441 14 G HA2 0.222 4.084 3.960 -0.162 0.000 0.294 14 G HA3 0.222 4.088 3.960 -0.156 0.000 0.294 14 G C -2.776 171.870 174.900 -0.423 0.000 1.393 14 G CA 0.412 45.335 45.100 -0.294 0.000 0.796 14 G HN 0.055 7.969 8.290 -0.628 0.000 0.494 15 K N -0.873 119.423 120.400 -0.173 0.000 2.168 15 K HA 0.451 4.860 4.320 -0.097 -0.147 0.258 15 K C -0.996 175.555 176.600 -0.082 0.000 1.010 15 K CA -0.344 55.892 56.287 -0.085 0.000 0.929 15 K CB 1.813 34.324 32.500 0.018 0.000 0.998 15 K HN 0.282 8.481 8.250 -0.085 0.000 0.479 16 A N 0.416 123.210 122.820 -0.043 0.000 2.276 16 A HA 0.256 4.547 4.320 -0.049 0.000 0.316 16 A C -2.582 175.000 177.584 -0.004 0.000 1.229 16 A CA -1.317 50.701 52.037 -0.032 0.000 0.851 16 A CB 1.642 20.628 19.000 -0.023 0.000 1.165 16 A HN 0.640 8.687 8.150 -0.015 0.094 0.513 17 L N 3.283 124.506 121.223 0.001 0.000 2.295 17 L HA 0.554 4.905 4.340 0.018 0.000 0.285 17 L C -2.298 174.584 176.870 0.021 0.000 1.035 17 L CA -1.069 53.781 54.840 0.016 0.000 0.806 17 L CB 3.135 45.209 42.059 0.024 0.000 1.214 17 L HN 0.368 8.595 8.230 -0.006 0.000 0.426 18 L N 5.693 126.929 121.223 0.022 0.000 2.325 18 L HA 0.450 4.954 4.340 0.023 -0.150 0.281 18 L C -1.105 175.780 176.870 0.024 0.000 1.004 18 L CA -1.347 53.506 54.840 0.022 0.000 0.823 18 L CB 1.958 44.028 42.059 0.018 0.000 1.236 18 L HN 0.190 8.433 8.230 0.022 0.000 0.415 19 L N 7.320 128.559 121.223 0.027 0.000 2.312 19 L HA 0.108 4.464 4.340 0.027 0.000 0.287 19 L C -0.489 176.393 176.870 0.020 0.000 1.091 19 L CA -0.378 54.478 54.840 0.026 0.000 0.846 19 L CB -1.143 40.935 42.059 0.032 0.000 1.219 19 L HN -0.118 8.129 8.230 0.029 0.000 0.439 20 K N 4.896 125.306 120.400 0.017 0.000 2.183 20 K HA 0.175 4.502 4.320 0.012 0.000 0.274 20 K C -0.941 175.666 176.600 0.011 0.000 1.009 20 K CA -0.498 55.797 56.287 0.013 0.000 0.888 20 K CB 1.024 33.531 32.500 0.011 0.000 1.078 20 K HN 0.109 8.370 8.250 0.018 0.000 0.459 21 E N 2.649 122.854 120.200 0.008 0.000 2.256 21 E HA 0.152 4.506 4.350 0.006 0.000 0.268 21 E C -1.271 175.330 176.600 0.001 0.000 0.877 21 E CA -0.646 55.757 56.400 0.005 0.000 0.757 21 E CB 1.812 31.515 29.700 0.005 0.000 1.183 21 E HN 0.123 8.487 8.360 0.007 0.000 0.418 22 D N 1.944 122.344 120.400 -0.000 0.000 2.341 22 D HA 0.059 4.697 4.640 -0.003 0.000 0.245 22 D C -0.415 175.880 176.300 -0.008 0.000 1.106 22 D CA 0.265 54.263 54.000 -0.003 0.000 0.905 22 D CB 0.899 41.697 40.800 -0.004 0.000 1.202 22 D HN -0.003 8.367 8.370 0.000 0.000 0.426 23 E N 1.692 121.886 120.200 -0.010 0.000 2.392 23 E HA -0.102 4.238 4.350 -0.017 0.000 0.264 23 E C -0.444 176.143 176.600 -0.022 0.000 1.024 23 E CA -0.126 56.264 56.400 -0.017 0.000 0.903 23 E CB 0.714 30.404 29.700 -0.017 0.000 0.963 23 E HN 0.035 8.390 8.360 -0.008 0.000 0.432 24 I N 5.324 125.875 120.570 -0.032 0.000 2.496 24 I HA -0.061 4.092 4.170 -0.029 0.000 0.285 24 I C -0.266 175.823 176.117 -0.047 0.000 1.080 24 I CA -0.177 61.099 61.300 -0.040 0.000 1.404 24 I CB 0.330 38.298 38.000 -0.053 0.000 1.403 24 I HN 0.029 8.218 8.210 -0.035 0.000 0.539 25 V N 7.243 127.135 119.914 -0.037 0.000 2.407 25 V HA 0.073 4.170 4.120 -0.038 0.000 0.278 25 V C -0.989 175.082 176.094 -0.039 0.000 1.037 25 V CA -0.660 61.619 62.300 -0.035 0.000 0.900 25 V CB 0.528 32.339 31.823 -0.021 0.000 0.983 25 V HN 0.201 8.374 8.190 -0.029 0.000 0.459 26 I N 7.905 128.447 120.570 -0.048 0.000 2.412 26 I HA 0.062 4.210 4.170 -0.038 0.000 0.296 26 I C -0.838 175.266 176.117 -0.022 0.000 0.987 26 I CA -1.051 60.222 61.300 -0.045 0.000 1.180 26 I CB 1.897 39.852 38.000 -0.076 0.000 1.340 26 I HN 0.229 8.409 8.210 -0.050 0.000 0.455 27 D N 7.557 127.951 120.400 -0.010 0.000 2.280 27 D HA 0.138 4.776 4.640 -0.005 0.000 0.243 27 D C 0.050 176.352 176.300 0.002 0.000 1.129 27 D CA 0.218 54.216 54.000 -0.002 0.000 0.848 27 D CB 0.754 41.556 40.800 0.003 0.000 1.107 27 D HN -0.046 8.527 8.370 -0.006 -0.206 0.471 28 R N 3.062 123.563 120.500 0.001 0.000 2.310 28 R HA -0.050 4.294 4.340 0.007 0.000 0.202 28 R C 0.024 176.327 176.300 0.006 0.000 0.933 28 R CA -1.123 54.980 56.100 0.004 0.000 1.054 28 R CB -0.440 29.862 30.300 0.003 0.000 0.985 28 R HN 0.335 8.604 8.270 -0.001 0.000 0.489 29 K N 1.306 121.709 120.400 0.005 0.000 2.448 29 K HA -0.022 4.301 4.320 0.006 0.000 0.278 29 K C -0.482 176.123 176.600 0.009 0.000 1.009 29 K CA 0.100 56.391 56.287 0.006 0.000 0.995 29 K CB 0.464 32.967 32.500 0.005 0.000 0.917 29 K HN -0.484 7.701 8.250 0.004 0.067 0.481 30 K N 2.089 122.495 120.400 0.010 0.000 2.118 30 K HA -0.042 4.287 4.320 0.015 0.000 0.264 30 K C 0.342 176.950 176.600 0.013 0.000 1.000 30 K CA -0.662 55.633 56.287 0.014 0.000 0.929 30 K CB 0.853 33.364 32.500 0.017 0.000 1.021 30 K HN -0.047 8.208 8.250 0.009 0.000 0.463 31 I N -1.088 119.490 120.570 0.013 0.000 2.918 31 I HA 0.510 4.804 4.170 0.004 -0.121 0.316 31 I C -0.691 175.423 176.117 -0.006 0.000 1.001 31 I CA -1.493 59.809 61.300 0.003 0.000 1.142 31 I CB 1.828 39.826 38.000 -0.002 0.000 1.356 31 I HN -0.079 8.141 8.210 0.018 0.000 0.524 32 S N 1.006 116.696 115.700 -0.016 0.000 2.730 32 S HA 0.170 4.629 4.470 -0.018 0.000 0.284 32 S C 0.713 175.277 174.600 -0.060 0.000 1.153 32 S CA -1.559 56.626 58.200 -0.026 0.000 0.995 32 S CB 3.454 66.647 63.200 -0.012 0.000 1.058 32 S HN 0.264 8.914 8.310 -0.011 -0.347 0.552 33 A N 0.807 123.590 122.820 -0.062 0.000 1.883 33 A HA -0.294 3.959 4.320 -0.112 0.000 0.217 33 A C 2.441 180.004 177.584 -0.036 0.000 1.186 33 A CA 3.276 55.274 52.037 -0.065 0.000 0.624 33 A CB -0.895 18.086 19.000 -0.032 0.000 0.822 33 A HN 0.707 8.834 8.150 -0.038 0.000 0.444 34 D N -2.656 117.732 120.400 -0.021 0.000 2.228 34 D HA -0.266 4.369 4.640 -0.009 0.000 0.203 34 D C 1.918 178.212 176.300 -0.010 0.000 0.988 34 D CA 3.114 57.107 54.000 -0.011 0.000 0.864 34 D CB -0.689 40.108 40.800 -0.006 0.000 0.928 34 D HN 0.303 8.662 8.370 -0.018 0.000 0.469 35 Q N -2.043 117.748 119.800 -0.014 0.000 2.432 35 Q HA -0.114 4.225 4.340 -0.001 0.000 0.205 35 Q C 1.988 177.982 176.000 -0.010 0.000 0.945 35 Q CA 1.637 57.435 55.803 -0.008 0.000 0.924 35 Q CB 0.073 28.807 28.738 -0.007 0.000 1.016 35 Q HN -0.702 7.417 8.270 -0.020 0.139 0.503 36 V N 2.124 122.024 119.914 -0.023 0.000 2.261 36 V HA -0.528 3.579 4.120 -0.021 0.000 0.246 36 V C 1.460 177.550 176.094 -0.006 0.000 1.047 36 V CA 4.981 67.267 62.300 -0.023 0.000 1.015 36 V CB -0.228 31.572 31.823 -0.037 0.000 0.642 36 V HN 0.343 8.311 8.190 -0.032 0.203 0.446 37 D N -1.552 118.846 120.400 -0.004 0.000 2.117 37 D HA -0.306 4.338 4.640 0.007 0.000 0.197 37 D C 2.751 179.061 176.300 0.016 0.000 0.987 37 D CA 3.603 57.606 54.000 0.006 0.000 0.829 37 D CB -0.594 40.209 40.800 0.005 0.000 0.961 37 D HN -0.462 7.903 8.370 -0.008 0.000 0.460 38 Q N -0.969 118.839 119.800 0.014 0.000 2.079 38 Q HA -0.276 4.078 4.340 0.023 0.000 0.200 38 Q C 2.607 178.627 176.000 0.035 0.000 0.974 38 Q CA 3.117 58.933 55.803 0.022 0.000 0.840 38 Q CB 0.043 28.791 28.738 0.015 0.000 0.898 38 Q HN -0.611 7.657 8.270 0.007 0.007 0.430 39 E N -0.162 120.057 120.200 0.032 0.000 2.072 39 E HA -0.253 4.132 4.350 0.058 0.000 0.191 39 E C 2.568 179.217 176.600 0.082 0.000 0.985 39 E CA 2.898 59.328 56.400 0.051 0.000 0.801 39 E CB -0.315 29.404 29.700 0.032 0.000 0.750 39 E HN 0.006 8.378 8.360 0.019 0.000 0.452 40 V N 0.178 120.127 119.914 0.058 0.000 2.295 40 V HA -0.470 3.698 4.120 0.080 0.000 0.246 40 V C 2.047 178.225 176.094 0.140 0.000 1.049 40 V CA 4.454 66.803 62.300 0.081 0.000 1.024 40 V CB -0.519 31.324 31.823 0.032 0.000 0.648 40 V HN -0.218 7.992 8.190 0.033 0.000 0.447 41 E N -0.428 119.826 120.200 0.090 0.000 2.077 41 E HA -0.373 4.026 4.350 0.083 0.000 0.193 41 E C 2.246 178.896 176.600 0.084 0.000 0.989 41 E CA 3.161 59.608 56.400 0.078 0.000 0.800 41 E CB -0.403 29.325 29.700 0.046 0.000 0.746 41 E HN -0.530 7.868 8.360 0.063 0.000 0.452 42 R N -0.957 119.594 120.500 0.086 0.000 2.081 42 R HA -0.332 4.031 4.340 0.037 0.000 0.235 42 R C 2.421 178.773 176.300 0.088 0.000 1.131 42 R CA 3.403 59.545 56.100 0.069 0.000 0.960 42 R CB -0.218 30.122 30.300 0.068 0.000 0.856 42 R HN -0.201 8.042 8.270 0.082 0.076 0.436 43 F N 1.481 121.434 119.950 0.005 0.000 2.102 43 F HA -0.379 4.152 4.527 0.008 0.000 0.298 43 F C 1.343 177.147 175.800 0.007 0.000 1.105 43 F CA 3.831 61.836 58.000 0.007 0.000 1.239 43 F CB 0.046 39.051 39.000 0.008 0.000 0.991 43 F HN 0.142 8.536 8.300 0.276 0.072 0.474 44 L N -0.531 120.800 121.223 0.180 0.000 2.046 44 L HA -0.450 3.905 4.340 0.025 0.000 0.208 44 L C 1.954 178.789 176.870 -0.057 0.000 1.077 44 L CA 3.419 58.294 54.840 0.058 0.000 0.747 44 L CB -0.355 41.778 42.059 0.124 0.000 0.896 44 L HN 0.473 8.890 8.230 0.310 0.000 0.432 45 S N -1.127 114.556 115.700 -0.028 0.000 2.368 45 S HA -0.316 4.134 4.470 -0.033 0.000 0.225 45 S C 2.362 176.909 174.600 -0.087 0.000 1.030 45 S CA 3.851 62.027 58.200 -0.041 0.000 0.999 45 S CB -0.267 62.925 63.200 -0.015 0.000 0.844 45 S HN 0.713 8.907 8.310 0.016 0.125 0.459 46 G N 0.572 109.297 108.800 -0.126 0.000 2.402 46 G HA2 -0.262 3.636 3.960 -0.105 0.000 0.216 46 G HA3 -0.262 3.599 3.960 -0.166 0.000 0.216 46 G C 0.644 175.401 174.900 -0.238 0.000 1.162 46 G CA 1.562 46.567 45.100 -0.159 0.000 0.777 46 G HN 0.530 8.633 8.290 -0.110 0.122 0.539 47 R N 1.625 121.887 120.500 -0.398 0.000 2.115 47 R HA -0.308 3.802 4.340 -0.383 0.000 0.230 47 R C 1.972 178.157 176.300 -0.191 0.000 1.111 47 R CA 2.764 58.621 56.100 -0.405 0.000 0.976 47 R CB -0.098 29.827 30.300 -0.625 0.000 0.870 47 R HN 0.614 8.410 8.270 -0.470 0.192 0.445 48 A N -1.642 121.094 122.820 -0.140 0.000 1.908 48 A HA -0.295 3.991 4.320 -0.058 0.000 0.218 48 A C 1.261 178.807 177.584 -0.063 0.000 1.181 48 A CA 3.252 55.245 52.037 -0.073 0.000 0.627 48 A CB -0.975 17.995 19.000 -0.050 0.000 0.818 48 A HN 0.386 8.220 8.150 -0.155 0.223 0.445 49 K N -0.917 119.440 120.400 -0.072 0.000 1.963 49 K HA -0.291 4.005 4.320 -0.040 0.000 0.216 49 K C 1.935 178.505 176.600 -0.051 0.000 1.045 49 K CA 2.700 58.955 56.287 -0.053 0.000 0.954 49 K CB -0.344 32.124 32.500 -0.052 0.000 0.732 49 K HN -0.823 7.281 8.250 -0.089 0.093 0.442 50 A N -1.286 121.497 122.820 -0.063 0.000 2.023 50 A HA -0.354 3.948 4.320 -0.030 0.000 0.223 50 A C 2.143 179.710 177.584 -0.030 0.000 1.180 50 A CA 2.881 54.891 52.037 -0.045 0.000 0.659 50 A CB -1.271 17.693 19.000 -0.060 0.000 0.817 50 A HN -0.358 7.744 8.150 -0.080 0.000 0.466 51 S N -1.242 114.435 115.700 -0.039 0.000 2.351 51 S HA -0.452 4.014 4.470 -0.005 0.000 0.220 51 S C 1.914 176.506 174.600 -0.012 0.000 1.035 51 S CA 3.613 61.802 58.200 -0.018 0.000 1.031 51 S CB -0.293 62.894 63.200 -0.022 0.000 0.928 51 S HN -0.249 7.998 8.310 -0.059 0.028 0.433 52 A N 0.296 123.104 122.820 -0.019 0.000 1.930 52 A HA -0.182 4.128 4.320 -0.015 0.000 0.217 52 A C 2.306 179.877 177.584 -0.022 0.000 1.175 52 A CA 2.811 54.837 52.037 -0.018 0.000 0.627 52 A CB -0.791 18.198 19.000 -0.019 0.000 0.815 52 A HN -0.258 7.876 8.150 -0.026 0.000 0.443 53 Q N -1.100 118.686 119.800 -0.023 0.000 2.079 53 Q HA -0.290 4.032 4.340 -0.029 0.000 0.200 53 Q C 2.669 178.652 176.000 -0.028 0.000 0.974 53 Q CA 2.954 58.742 55.803 -0.025 0.000 0.840 53 Q CB 0.104 28.829 28.738 -0.021 0.000 0.898 53 Q HN -0.228 8.028 8.270 -0.024 0.000 0.430 54 L N -1.136 120.081 121.223 -0.010 0.000 2.046 54 L HA -0.464 3.882 4.340 0.010 0.000 0.208 54 L C 1.977 178.828 176.870 -0.033 0.000 1.077 54 L CA 3.441 58.286 54.840 0.009 0.000 0.747 54 L CB -0.413 41.682 42.059 0.060 0.000 0.896 54 L HN 0.528 8.634 8.230 -0.007 0.120 0.432 55 E N -1.710 118.475 120.200 -0.025 0.000 2.110 55 E HA -0.313 4.021 4.350 -0.027 0.000 0.193 55 E C 2.740 179.292 176.600 -0.079 0.000 0.988 55 E CA 3.051 59.429 56.400 -0.038 0.000 0.804 55 E CB -0.628 29.061 29.700 -0.019 0.000 0.745 55 E HN -0.571 7.775 8.360 -0.013 0.006 0.458 56 T N 1.965 116.473 114.554 -0.075 0.000 2.746 56 T HA -0.241 4.067 4.350 -0.070 0.000 0.267 56 T C 1.900 176.512 174.700 -0.145 0.000 1.039 56 T CA 4.218 66.267 62.100 -0.084 0.000 1.142 56 T CB -0.524 68.309 68.868 -0.059 0.000 0.866 56 T HN -0.494 7.608 8.240 -0.057 0.104 0.444 57 I N 1.250 121.697 120.570 -0.205 0.000 2.286 57 I HA -0.574 3.441 4.170 -0.258 0.000 0.248 57 I C 1.327 177.070 176.117 -0.623 0.000 1.115 57 I CA 4.279 65.356 61.300 -0.370 0.000 1.392 57 I CB -0.491 37.268 38.000 -0.401 0.000 1.065 57 I HN -0.448 7.589 8.210 -0.159 0.078 0.418 58 K N 0.407 120.461 120.400 -0.576 0.000 2.009 58 K HA -0.458 3.380 4.320 -0.803 0.000 0.210 58 K C 2.168 178.635 176.600 -0.220 0.000 1.049 58 K CA 4.067 60.075 56.287 -0.465 0.000 0.929 58 K CB -0.240 32.174 32.500 -0.144 0.000 0.714 58 K HN -0.427 7.495 8.250 -0.393 0.091 0.440 59 T N 0.147 114.616 114.554 -0.142 0.000 2.803 59 T HA -0.276 4.051 4.350 -0.039 0.000 0.269 59 T C 2.117 176.783 174.700 -0.058 0.000 1.052 59 T CA 4.246 66.305 62.100 -0.069 0.000 1.136 59 T CB -0.825 68.011 68.868 -0.053 0.000 0.864 59 T HN -0.540 7.613 8.240 -0.145 0.000 0.467 60 K N 1.199 121.544 120.400 -0.092 0.000 2.097 60 K HA -0.258 4.051 4.320 -0.018 0.000 0.205 60 K C 2.192 178.810 176.600 0.029 0.000 1.050 60 K CA 3.392 59.656 56.287 -0.038 0.000 0.938 60 K CB -0.341 32.130 32.500 -0.049 0.000 0.718 60 K HN -0.683 7.366 8.250 -0.149 0.112 0.442 61 A N -0.752 122.068 122.820 -0.000 0.000 1.898 61 A HA -0.175 4.373 4.320 0.379 0.000 0.216 61 A C 1.991 179.697 177.584 0.204 0.000 1.181 61 A CA 3.027 55.180 52.037 0.194 0.000 0.620 61 A CB -0.719 18.400 19.000 0.199 0.000 0.819 61 A HN -0.278 7.688 8.150 -0.158 0.089 0.442 62 G N -1.768 107.096 108.800 0.106 0.000 2.433 62 G HA2 -0.401 3.773 3.960 0.120 0.000 0.216 62 G HA3 -0.401 3.689 3.960 0.061 -0.093 0.216 62 G C 1.502 176.446 174.900 0.073 0.000 1.186 62 G CA 1.975 47.131 45.100 0.093 0.000 0.779 62 G HN -0.095 8.224 8.290 0.048 0.000 0.543 63 E N 0.575 120.801 120.200 0.043 0.000 2.047 63 E HA -0.246 4.112 4.350 0.013 0.000 0.191 63 E C 2.385 178.983 176.600 -0.003 0.000 0.987 63 E CA 2.317 58.726 56.400 0.015 0.000 0.799 63 E CB 0.181 29.881 29.700 -0.000 0.000 0.752 63 E HN -0.461 7.919 8.360 0.032 0.000 0.449 64 T N -0.291 114.266 114.554 0.006 0.000 2.639 64 T HA -0.255 3.996 4.350 -0.165 0.000 0.261 64 T C 1.103 175.650 174.700 -0.255 0.000 1.053 64 T CA 3.569 65.596 62.100 -0.122 0.000 1.158 64 T CB 0.270 69.117 68.868 -0.036 0.000 0.863 64 T HN -0.048 8.110 8.240 0.045 0.110 0.413 65 F N -2.193 117.784 119.950 0.046 0.000 2.343 65 F HA 0.106 4.658 4.527 0.042 0.000 0.286 65 F C 0.897 176.722 175.800 0.043 0.000 1.057 65 F CA 1.157 59.187 58.000 0.050 0.000 1.365 65 F CB 1.908 40.951 39.000 0.071 0.000 1.114 65 F HN -0.204 8.229 8.300 0.391 0.102 0.545 66 G N -2.156 106.786 108.800 0.238 0.000 2.340 66 G HA2 -0.074 4.065 3.960 0.096 0.000 0.282 66 G HA3 -0.074 3.961 3.960 0.124 0.000 0.282 66 G C -1.760 173.216 174.900 0.126 0.000 1.312 66 G CA -0.369 44.813 45.100 0.137 0.000 0.942 66 G HN -0.450 8.008 8.290 0.280 0.000 0.495 67 E N 1.770 122.022 120.200 0.087 0.000 2.274 67 E HA -0.369 4.025 4.350 0.074 0.000 0.194 67 E C 1.165 177.806 176.600 0.068 0.000 0.996 67 E CA 2.210 58.652 56.400 0.070 0.000 0.840 67 E CB -0.022 29.707 29.700 0.048 0.000 0.772 67 E HN 0.386 8.791 8.360 0.074 0.000 0.491 68 E N -1.100 119.144 120.200 0.073 0.000 2.110 68 E HA -0.270 4.100 4.350 0.034 0.000 0.193 68 E C 1.517 178.146 176.600 0.047 0.000 0.988 68 E CA 2.635 59.067 56.400 0.054 0.000 0.804 68 E CB -0.399 29.338 29.700 0.062 0.000 0.745 68 E HN 0.388 8.765 8.360 0.084 0.034 0.458 69 K N -3.531 116.924 120.400 0.091 0.000 2.334 69 K HA 0.083 4.402 4.320 -0.003 0.000 0.195 69 K C 1.787 178.503 176.600 0.193 0.000 1.045 69 K CA 0.659 56.999 56.287 0.088 0.000 1.004 69 K CB 0.288 32.854 32.500 0.110 0.000 0.837 69 K HN -0.692 7.621 8.250 0.131 0.016 0.510 70 E N 1.226 121.537 120.200 0.185 0.000 2.072 70 E HA -0.284 4.248 4.350 0.303 0.000 0.191 70 E C 1.732 178.432 176.600 0.167 0.000 0.985 70 E CA 3.056 59.583 56.400 0.210 0.000 0.801 70 E CB 0.078 29.849 29.700 0.118 0.000 0.750 70 E HN -0.497 7.851 8.360 0.146 0.099 0.452 71 A N -1.705 121.156 122.820 0.069 0.000 2.015 71 A HA -0.151 4.185 4.320 0.027 0.000 0.219 71 A C 1.701 179.236 177.584 -0.082 0.000 1.163 71 A CA 2.787 54.829 52.037 0.008 0.000 0.646 71 A CB -0.490 18.505 19.000 -0.008 0.000 0.806 71 A HN -0.632 7.554 8.150 0.061 0.000 0.448 72 I N -2.143 118.328 120.570 -0.166 0.000 2.264 72 I HA -0.546 3.373 4.170 -0.419 0.000 0.248 72 I C 1.636 177.348 176.117 -0.675 0.000 1.111 72 I CA 3.511 64.532 61.300 -0.464 0.000 1.382 72 I CB -0.172 37.494 38.000 -0.558 0.000 1.060 72 I HN -0.208 7.927 8.210 -0.092 0.020 0.418 73 F N -1.094 118.704 119.950 -0.254 0.000 2.186 73 F HA -0.290 4.152 4.527 -0.142 0.000 0.299 73 F C 2.348 178.084 175.800 -0.106 0.000 1.090 73 F CA 3.483 61.394 58.000 -0.148 0.000 1.307 73 F CB -0.493 38.483 39.000 -0.040 0.000 1.019 73 F HN -0.847 7.427 8.300 -0.035 0.005 0.489 74 E N 0.787 121.033 120.200 0.077 0.000 2.085 74 E HA -0.487 3.909 4.350 0.076 0.000 0.194 74 E C 2.234 178.832 176.600 -0.004 0.000 0.994 74 E CA 3.305 59.731 56.400 0.043 0.000 0.801 74 E CB -0.454 29.262 29.700 0.027 0.000 0.743 74 E HN -0.538 7.787 8.360 0.085 0.086 0.453 75 G N -1.702 107.042 108.800 -0.094 0.000 2.421 75 G HA2 -0.332 3.611 3.960 -0.029 0.000 0.216 75 G HA3 -0.332 3.543 3.960 -0.143 0.000 0.216 75 G C 1.393 176.303 174.900 0.017 0.000 1.171 75 G CA 2.220 47.273 45.100 -0.079 0.000 0.775 75 G HN -0.204 7.986 8.290 -0.158 0.005 0.543 76 H N 3.224 122.272 119.070 -0.036 0.000 2.321 76 H HA -0.355 4.176 4.556 -0.042 0.000 0.300 76 H C 2.772 178.110 175.328 0.017 0.000 1.087 76 H CA 2.536 58.567 56.048 -0.028 0.000 1.319 76 H CB 0.187 29.918 29.762 -0.053 0.000 1.379 76 H HN -0.539 7.532 8.280 -0.348 0.000 0.501 77 I N -0.212 120.462 120.570 0.174 0.000 2.202 77 I HA -0.562 3.675 4.170 0.113 0.000 0.242 77 I C 1.517 177.681 176.117 0.078 0.000 1.091 77 I CA 4.062 65.431 61.300 0.116 0.000 1.368 77 I CB 0.150 38.214 38.000 0.106 0.000 1.058 77 I HN 0.576 8.776 8.210 0.169 0.111 0.410 78 M N -0.191 119.447 119.600 0.063 0.000 2.117 78 M HA -0.431 4.074 4.480 0.041 0.000 0.262 78 M C 1.369 177.697 176.300 0.046 0.000 1.065 78 M CA 3.718 59.044 55.300 0.044 0.000 1.114 78 M CB 0.413 33.030 32.600 0.029 0.000 1.361 78 M HN 0.221 8.420 8.290 0.061 0.127 0.408 79 L N -2.898 118.358 121.223 0.055 0.000 2.056 79 L HA -0.207 4.154 4.340 0.035 0.000 0.207 79 L C 2.565 179.465 176.870 0.049 0.000 1.078 79 L CA 2.603 57.472 54.840 0.048 0.000 0.749 79 L CB -0.071 42.021 42.059 0.056 0.000 0.901 79 L HN -0.090 8.063 8.230 0.068 0.117 0.433 80 L N -0.611 120.649 121.223 0.061 0.000 2.083 80 L HA -0.316 4.061 4.340 0.063 0.000 0.209 80 L C 1.194 178.107 176.870 0.071 0.000 1.083 80 L CA 2.812 57.691 54.840 0.064 0.000 0.752 80 L CB -0.007 42.089 42.059 0.062 0.000 0.899 80 L HN -0.215 7.976 8.230 0.073 0.082 0.433 81 E N -5.070 115.166 120.200 0.061 0.000 2.494 81 E HA -0.072 4.322 4.350 0.073 0.000 0.193 81 E C -0.696 175.934 176.600 0.050 0.000 1.074 81 E CA -0.146 56.289 56.400 0.059 0.000 0.867 81 E CB -0.225 29.503 29.700 0.046 0.000 0.924 81 E HN -0.660 7.727 8.360 0.057 0.008 0.502 82 D N 1.497 121.924 120.400 0.045 0.000 2.533 82 D HA -0.180 4.476 4.640 0.027 0.000 0.236 82 D C 0.861 177.179 176.300 0.030 0.000 1.137 82 D CA 0.800 54.819 54.000 0.032 0.000 0.867 82 D CB 0.981 41.796 40.800 0.025 0.000 1.170 82 D HN -0.655 7.524 8.370 0.048 0.220 0.474 83 E N 5.921 126.135 120.200 0.023 0.000 2.333 83 E HA -0.294 4.071 4.350 0.025 0.000 0.198 83 E C 2.019 178.624 176.600 0.009 0.000 1.007 83 E CA 2.746 59.157 56.400 0.018 0.000 0.845 83 E CB 0.006 29.714 29.700 0.013 0.000 0.766 83 E HN 0.444 8.817 8.360 0.020 0.000 0.507 84 E N -0.421 119.783 120.200 0.006 0.000 2.107 84 E HA -0.244 4.101 4.350 -0.008 0.000 0.191 84 E C 2.361 178.955 176.600 -0.010 0.000 0.982 84 E CA 2.536 58.933 56.400 -0.004 0.000 0.809 84 E CB -0.057 29.639 29.700 -0.006 0.000 0.756 84 E HN 0.046 8.761 8.360 0.009 -0.349 0.459 85 L N -1.205 120.020 121.223 0.003 0.000 2.109 85 L HA -0.292 4.037 4.340 -0.018 0.000 0.207 85 L C 1.965 178.822 176.870 -0.021 0.000 1.086 85 L CA 2.987 57.827 54.840 -0.000 0.000 0.760 85 L CB -0.181 41.903 42.059 0.041 0.000 0.910 85 L HN -0.408 7.713 8.230 0.013 0.118 0.437 86 E N -0.342 119.861 120.200 0.005 0.000 2.051 86 E HA -0.474 3.868 4.350 -0.013 0.000 0.192 86 E C 2.468 179.035 176.600 -0.055 0.000 0.991 86 E CA 3.597 59.992 56.400 -0.008 0.000 0.799 86 E CB -0.304 29.416 29.700 0.033 0.000 0.748 86 E HN -0.595 7.779 8.360 0.024 0.000 0.449 87 Q N -1.762 118.016 119.800 -0.037 0.000 2.079 87 Q HA -0.276 4.038 4.340 -0.043 0.000 0.200 87 Q C 2.817 178.780 176.000 -0.063 0.000 0.974 87 Q CA 3.094 58.871 55.803 -0.043 0.000 0.840 87 Q CB 0.209 28.931 28.738 -0.026 0.000 0.898 87 Q HN -0.545 7.713 8.270 -0.020 0.000 0.430 88 E N 0.515 120.677 120.200 -0.063 0.000 2.072 88 E HA -0.263 4.051 4.350 -0.059 0.000 0.190 88 E C 2.641 179.176 176.600 -0.108 0.000 0.982 88 E CA 2.927 59.285 56.400 -0.070 0.000 0.803 88 E CB -0.005 29.662 29.700 -0.056 0.000 0.755 88 E HN -0.268 8.061 8.360 -0.051 0.000 0.453 89 I N -0.181 120.292 120.570 -0.162 0.000 2.202 89 I HA -0.425 3.619 4.170 -0.211 0.000 0.242 89 I C 1.898 177.853 176.117 -0.270 0.000 1.091 89 I CA 4.358 65.495 61.300 -0.272 0.000 1.368 89 I CB 0.130 37.824 38.000 -0.509 0.000 1.058 89 I HN 0.249 8.260 8.210 -0.146 0.111 0.410 90 I N -0.651 119.777 120.570 -0.238 0.000 2.315 90 I HA -0.568 3.486 4.170 -0.193 0.000 0.248 90 I C 1.524 177.580 176.117 -0.102 0.000 1.117 90 I CA 4.028 65.228 61.300 -0.167 0.000 1.404 90 I CB -0.350 37.579 38.000 -0.118 0.000 1.071 90 I HN -0.569 7.508 8.210 -0.222 0.000 0.419 91 A N 0.372 123.141 122.820 -0.085 0.000 1.877 91 A HA -0.317 3.977 4.320 -0.045 0.000 0.216 91 A C 1.911 179.464 177.584 -0.051 0.000 1.186 91 A CA 3.469 55.472 52.037 -0.056 0.000 0.620 91 A CB -1.002 17.969 19.000 -0.048 0.000 0.822 91 A HN 0.055 8.046 8.150 -0.093 0.103 0.443 92 L N -2.261 118.924 121.223 -0.063 0.000 2.017 92 L HA -0.434 3.884 4.340 -0.037 0.000 0.208 92 L C 2.730 179.576 176.870 -0.039 0.000 1.073 92 L CA 3.418 58.229 54.840 -0.048 0.000 0.745 92 L CB -0.303 41.724 42.059 -0.054 0.000 0.894 92 L HN -0.678 7.505 8.230 -0.078 0.000 0.432 93 I N -0.681 119.854 120.570 -0.057 0.000 2.179 93 I HA -0.578 3.783 4.170 -0.023 -0.204 0.242 93 I C 2.167 178.276 176.117 -0.013 0.000 1.088 93 I CA 4.142 65.419 61.300 -0.038 0.000 1.357 93 I CB -0.273 37.688 38.000 -0.065 0.000 1.051 93 I HN -0.657 7.500 8.210 -0.087 0.000 0.409 94 K N -2.238 118.148 120.400 -0.023 0.000 2.057 94 K HA -0.313 4.007 4.320 -0.001 0.000 0.206 94 K C 1.588 178.199 176.600 0.018 0.000 1.050 94 K CA 3.105 59.389 56.287 -0.004 0.000 0.935 94 K CB -0.163 32.327 32.500 -0.017 0.000 0.715 94 K HN 0.059 8.283 8.250 -0.044 0.000 0.439 95 D N -2.395 118.004 120.400 -0.002 0.000 2.144 95 D HA -0.035 4.602 4.640 -0.006 0.000 0.207 95 D C 1.192 177.481 176.300 -0.019 0.000 0.970 95 D CA 2.153 56.147 54.000 -0.009 0.000 0.853 95 D CB 0.940 41.728 40.800 -0.020 0.000 1.007 95 D HN 0.194 8.419 8.370 -0.017 0.136 0.469 96 K N -4.183 116.208 120.400 -0.015 0.000 2.404 96 K HA 0.022 4.314 4.320 -0.047 0.000 0.194 96 K C -0.813 175.788 176.600 0.001 0.000 1.023 96 K CA -0.305 55.968 56.287 -0.025 0.000 1.094 96 K CB 0.672 33.160 32.500 -0.018 0.000 0.841 96 K HN -0.117 7.998 8.250 -0.014 0.126 0.523 97 H N -4.313 114.748 119.070 -0.016 0.000 2.791 97 H HA -0.452 4.237 4.556 -0.012 -0.141 0.302 97 H C -1.243 174.080 175.328 -0.008 0.000 1.198 97 H CA 0.020 56.061 56.048 -0.011 0.000 1.145 97 H CB -2.930 26.828 29.762 -0.007 0.000 1.385 97 H HN -0.321 7.876 8.280 0.072 0.126 0.409 98 M N -3.344 116.267 119.600 0.018 0.000 2.371 98 M HA 0.205 4.693 4.480 0.014 0.000 0.301 98 M C 0.039 176.344 176.300 0.008 0.000 1.173 98 M CA 0.340 55.646 55.300 0.010 0.000 1.020 98 M CB 2.139 34.741 32.600 0.003 0.000 1.490 98 M HN -1.032 7.249 8.290 0.013 0.017 0.485 99 T N -3.290 111.273 114.554 0.015 0.000 2.882 99 T HA 0.061 4.424 4.350 0.022 0.000 0.287 99 T C 0.483 175.202 174.700 0.031 0.000 1.014 99 T CA -1.430 60.684 62.100 0.024 0.000 1.049 99 T CB 0.865 69.749 68.868 0.027 0.000 1.001 99 T HN -0.131 8.119 8.240 0.017 0.000 0.525 100 A N 1.789 124.643 122.820 0.056 0.000 1.898 100 A HA -0.306 4.026 4.320 0.019 0.000 0.216 100 A C 1.450 179.116 177.584 0.136 0.000 1.181 100 A CA 3.630 55.724 52.037 0.096 0.000 0.620 100 A CB -0.287 18.838 19.000 0.208 0.000 0.819 100 A HN -0.082 8.335 8.150 0.060 -0.232 0.442 101 D N -3.452 117.016 120.400 0.113 0.000 2.183 101 D HA -0.315 4.409 4.640 0.140 0.000 0.203 101 D C 1.348 177.704 176.300 0.093 0.000 0.969 101 D CA 2.503 56.565 54.000 0.103 0.000 0.842 101 D CB -1.111 39.722 40.800 0.055 0.000 0.957 101 D HN 0.289 8.714 8.370 0.091 0.000 0.484 102 A N -0.742 122.119 122.820 0.069 0.000 1.903 102 A HA -0.081 4.291 4.320 0.087 0.000 0.213 102 A C 1.751 179.387 177.584 0.087 0.000 1.185 102 A CA 2.481 54.562 52.037 0.074 0.000 0.628 102 A CB -0.423 18.603 19.000 0.042 0.000 0.830 102 A HN -0.545 7.626 8.150 0.056 0.012 0.446 103 A N -1.139 121.709 122.820 0.048 0.000 1.872 103 A HA -0.203 4.122 4.320 0.008 0.000 0.214 103 A C 1.469 179.058 177.584 0.009 0.000 1.187 103 A CA 2.628 54.670 52.037 0.009 0.000 0.614 103 A CB -0.258 18.720 19.000 -0.037 0.000 0.826 103 A HN 0.471 8.527 8.150 0.041 0.119 0.442 104 A N -2.015 120.828 122.820 0.038 0.000 1.933 104 A HA -0.411 3.904 4.320 -0.008 0.000 0.218 104 A C 0.917 178.561 177.584 0.100 0.000 1.175 104 A CA 3.079 55.159 52.037 0.072 0.000 0.628 104 A CB -0.755 18.384 19.000 0.232 0.000 0.814 104 A HN 0.176 8.242 8.150 0.055 0.117 0.444 105 H N -0.559 118.531 119.070 0.033 0.000 2.352 105 H HA -0.323 4.247 4.556 0.024 0.000 0.299 105 H C 1.911 177.241 175.328 0.003 0.000 1.097 105 H CA 3.441 59.500 56.048 0.019 0.000 1.311 105 H CB 0.100 29.871 29.762 0.015 0.000 1.377 105 H HN -0.541 7.861 8.280 0.218 0.009 0.504 106 E N -0.631 119.536 120.200 -0.054 0.000 2.077 106 E HA -0.356 3.883 4.350 -0.184 0.000 0.193 106 E C 2.346 178.870 176.600 -0.127 0.000 0.989 106 E CA 2.959 59.289 56.400 -0.117 0.000 0.800 106 E CB -0.260 29.419 29.700 -0.034 0.000 0.746 106 E HN -0.696 7.696 8.360 0.066 0.007 0.452 107 V N 0.100 119.963 119.914 -0.084 0.000 2.261 107 V HA -0.431 3.648 4.120 -0.068 0.000 0.246 107 V C 1.869 177.913 176.094 -0.083 0.000 1.047 107 V CA 4.668 66.926 62.300 -0.071 0.000 1.015 107 V CB -0.223 31.570 31.823 -0.051 0.000 0.642 107 V HN -0.644 7.433 8.190 -0.056 0.079 0.446 108 I N -1.754 118.765 120.570 -0.084 0.000 2.252 108 I HA -0.437 3.696 4.170 -0.061 0.000 0.245 108 I C 2.115 178.145 176.117 -0.146 0.000 1.102 108 I CA 2.427 63.675 61.300 -0.086 0.000 1.385 108 I CB -1.347 36.624 38.000 -0.049 0.000 1.064 108 I HN -0.573 7.597 8.210 -0.065 0.000 0.414 109 E N 0.831 120.872 120.200 -0.266 0.000 2.110 109 E HA -0.442 3.769 4.350 -0.231 0.000 0.193 109 E C 2.631 179.126 176.600 -0.174 0.000 0.988 109 E CA 3.335 59.555 56.400 -0.299 0.000 0.804 109 E CB -0.221 29.127 29.700 -0.587 0.000 0.745 109 E HN 0.366 8.528 8.360 -0.329 0.000 0.458 110 G N -0.595 108.115 108.800 -0.150 0.000 2.446 110 G HA2 -0.373 3.535 3.960 -0.087 0.000 0.217 110 G HA3 -0.373 3.575 3.960 -0.083 -0.037 0.217 110 G C 1.787 176.641 174.900 -0.077 0.000 1.168 110 G CA 2.140 47.183 45.100 -0.095 0.000 0.771 110 G HN 0.465 8.448 8.290 -0.171 0.205 0.551 111 Q N 1.670 121.425 119.800 -0.075 0.000 2.016 111 Q HA -0.306 4.002 4.340 -0.053 0.000 0.200 111 Q C 2.544 178.504 176.000 -0.067 0.000 0.978 111 Q CA 2.621 58.387 55.803 -0.061 0.000 0.833 111 Q CB -0.486 28.220 28.738 -0.054 0.000 0.895 111 Q HN -0.484 7.737 8.270 -0.081 0.000 0.427 112 A N -0.135 122.639 122.820 -0.077 0.000 1.908 112 A HA -0.446 3.830 4.320 -0.075 0.000 0.218 112 A C 1.862 179.405 177.584 -0.068 0.000 1.181 112 A CA 3.114 55.106 52.037 -0.076 0.000 0.627 112 A CB -1.048 17.903 19.000 -0.082 0.000 0.818 112 A HN 0.156 8.255 8.150 -0.085 0.000 0.445 113 S N -0.671 114.986 115.700 -0.070 0.000 2.370 113 S HA -0.328 4.272 4.470 -0.050 -0.160 0.226 113 S C 1.872 176.443 174.600 -0.048 0.000 1.033 113 S CA 3.317 61.483 58.200 -0.056 0.000 1.011 113 S CB -0.116 63.049 63.200 -0.059 0.000 0.852 113 S HN 0.375 8.510 8.310 -0.084 0.124 0.457 114 A N 1.631 124.421 122.820 -0.050 0.000 1.933 114 A HA -0.080 4.462 4.320 -0.037 -0.244 0.218 114 A C 2.225 179.782 177.584 -0.045 0.000 1.175 114 A CA 2.595 54.607 52.037 -0.042 0.000 0.628 114 A CB -0.494 18.482 19.000 -0.041 0.000 0.814 114 A HN -0.523 7.494 8.150 -0.055 0.099 0.444 115 L N -3.032 118.159 121.223 -0.054 0.000 2.046 115 L HA -0.430 3.873 4.340 -0.061 0.000 0.208 115 L C 2.888 179.724 176.870 -0.057 0.000 1.077 115 L CA 2.829 57.631 54.840 -0.062 0.000 0.747 115 L CB -0.532 41.480 42.059 -0.078 0.000 0.896 115 L HN -0.261 7.849 8.230 -0.057 0.085 0.432 116 E N -1.067 119.102 120.200 -0.051 0.000 2.118 116 E HA -0.377 3.946 4.350 -0.045 0.000 0.195 116 E C 1.442 178.022 176.600 -0.033 0.000 0.992 116 E CA 2.787 59.162 56.400 -0.042 0.000 0.804 116 E CB -0.258 29.421 29.700 -0.036 0.000 0.741 116 E HN -0.307 8.021 8.360 -0.052 0.000 0.458 117 E N -2.999 117.182 120.200 -0.031 0.000 2.267 117 E HA -0.264 4.074 4.350 -0.020 0.000 0.197 117 E C 0.666 177.252 176.600 -0.022 0.000 0.998 117 E CA 0.984 57.369 56.400 -0.024 0.000 0.830 117 E CB 0.014 29.700 29.700 -0.023 0.000 0.751 117 E HN -0.780 7.455 8.360 -0.035 0.104 0.491 118 L N 0.228 121.435 121.223 -0.028 0.000 2.483 118 L HA -0.157 4.172 4.340 -0.018 0.000 0.276 118 L C 0.371 177.232 176.870 -0.016 0.000 1.213 118 L CA 0.339 55.165 54.840 -0.024 0.000 0.843 118 L CB 0.377 42.413 42.059 -0.037 0.000 1.107 118 L HN -0.557 7.470 8.230 -0.036 0.182 0.487 119 D N -0.079 120.318 120.400 -0.006 0.000 2.889 119 D HA 0.004 4.643 4.640 -0.002 0.000 0.243 119 D C -1.229 175.078 176.300 0.011 0.000 1.270 119 D CA -0.055 53.946 54.000 0.001 0.000 0.838 119 D CB -0.287 40.514 40.800 0.003 0.000 1.040 119 D HN -0.093 8.275 8.370 -0.004 0.000 0.480 120 D N -1.227 119.179 120.400 0.010 0.000 2.787 120 D HA 0.167 4.833 4.640 0.045 0.000 0.246 120 D C 0.058 176.376 176.300 0.030 0.000 1.150 120 D CA -1.063 52.959 54.000 0.036 0.000 0.864 120 D CB 2.518 43.355 40.800 0.062 0.000 1.481 120 D HN -0.516 7.763 8.370 -0.005 0.088 0.509 121 E N 5.725 125.957 120.200 0.054 0.000 2.152 121 E HA -0.328 4.035 4.350 0.021 0.000 0.192 121 E C 1.257 177.904 176.600 0.078 0.000 0.983 121 E CA 2.741 59.170 56.400 0.049 0.000 0.818 121 E CB 0.174 29.906 29.700 0.053 0.000 0.758 121 E HN 0.587 8.985 8.360 0.063 0.000 0.467 122 Y N 0.932 121.227 120.300 -0.007 0.000 2.220 122 Y HA -0.286 4.260 4.550 -0.006 0.000 0.291 122 Y C 1.153 177.046 175.900 -0.010 0.000 1.129 122 Y CA 2.945 61.041 58.100 -0.008 0.000 1.161 122 Y CB -0.091 38.365 38.460 -0.007 0.000 0.997 122 Y HN 0.089 8.877 8.280 0.221 -0.375 0.522 123 L N -2.131 118.863 121.223 -0.381 0.000 2.156 123 L HA -0.353 3.531 4.340 -0.760 0.000 0.208 123 L C 1.967 178.684 176.870 -0.255 0.000 1.095 123 L CA 2.508 57.074 54.840 -0.457 0.000 0.770 123 L CB -0.547 41.369 42.059 -0.237 0.000 0.914 123 L HN -0.343 7.827 8.230 -0.100 0.000 0.439 124 K N -0.034 120.280 120.400 -0.143 0.000 2.057 124 K HA -0.432 3.833 4.320 -0.091 0.000 0.207 124 K C 2.114 178.657 176.600 -0.094 0.000 1.049 124 K CA 3.713 59.944 56.287 -0.092 0.000 0.931 124 K CB -0.184 32.287 32.500 -0.048 0.000 0.714 124 K HN -0.286 7.888 8.250 -0.106 0.013 0.440 125 E N -1.572 118.575 120.200 -0.087 0.000 2.077 125 E HA -0.396 3.926 4.350 -0.047 0.000 0.193 125 E C 2.452 178.992 176.600 -0.100 0.000 0.989 125 E CA 3.135 59.496 56.400 -0.064 0.000 0.800 125 E CB -0.176 29.516 29.700 -0.013 0.000 0.746 125 E HN -0.620 7.691 8.360 -0.081 0.000 0.452 126 R N -1.676 118.728 120.500 -0.159 0.000 2.105 126 R HA -0.285 3.989 4.340 -0.110 0.000 0.239 126 R C 2.262 178.485 176.300 -0.128 0.000 1.135 126 R CA 3.273 59.283 56.100 -0.151 0.000 0.967 126 R CB -0.162 30.005 30.300 -0.221 0.000 0.861 126 R HN -0.721 7.413 8.270 -0.228 0.000 0.442 127 A N -2.232 120.511 122.820 -0.128 0.000 2.019 127 A HA -0.155 4.104 4.320 -0.103 0.000 0.219 127 A C 1.529 179.055 177.584 -0.097 0.000 1.164 127 A CA 2.642 54.617 52.037 -0.104 0.000 0.644 127 A CB -0.908 18.037 19.000 -0.092 0.000 0.805 127 A HN -0.231 7.729 8.150 -0.145 0.103 0.449 128 A N -1.647 121.116 122.820 -0.094 0.000 1.897 128 A HA -0.246 4.029 4.320 -0.074 0.000 0.215 128 A C 1.395 178.906 177.584 -0.122 0.000 1.181 128 A CA 3.332 55.317 52.037 -0.087 0.000 0.620 128 A CB -0.812 18.146 19.000 -0.070 0.000 0.821 128 A HN 0.037 7.952 8.150 -0.095 0.178 0.443 129 D N -0.685 119.626 120.400 -0.149 0.000 2.144 129 D HA -0.212 4.275 4.640 -0.256 0.000 0.200 129 D C 2.276 178.390 176.300 -0.310 0.000 0.978 129 D CA 3.213 57.068 54.000 -0.242 0.000 0.833 129 D CB -0.614 40.076 40.800 -0.183 0.000 0.961 129 D HN -0.739 7.459 8.370 -0.126 0.096 0.470 130 V N 0.138 119.928 119.914 -0.207 0.000 2.358 130 V HA -0.434 3.555 4.120 -0.219 0.000 0.246 130 V C 1.339 177.350 176.094 -0.139 0.000 1.047 130 V CA 4.040 66.235 62.300 -0.174 0.000 1.035 130 V CB -0.143 31.615 31.823 -0.108 0.000 0.658 130 V HN -0.201 7.895 8.190 -0.157 0.000 0.452 131 R N -0.210 120.222 120.500 -0.113 0.000 2.081 131 R HA -0.498 3.804 4.340 -0.063 0.000 0.235 131 R C 1.527 177.786 176.300 -0.068 0.000 1.131 131 R CA 4.015 60.070 56.100 -0.074 0.000 0.960 131 R CB -0.223 30.043 30.300 -0.056 0.000 0.856 131 R HN -0.091 8.110 8.270 -0.115 0.000 0.436 132 D N -0.774 119.561 120.400 -0.107 0.000 2.149 132 D HA -0.237 4.368 4.640 -0.058 0.000 0.198 132 D C 2.214 178.458 176.300 -0.094 0.000 0.990 132 D CA 3.511 57.452 54.000 -0.098 0.000 0.839 132 D CB -0.195 40.520 40.800 -0.141 0.000 0.948 132 D HN -0.391 7.811 8.370 -0.135 0.088 0.460 133 I N -0.961 119.524 120.570 -0.143 0.000 2.163 133 I HA -0.553 3.567 4.170 -0.084 0.000 0.243 133 I C 2.055 178.155 176.117 -0.029 0.000 1.085 133 I CA 3.851 65.092 61.300 -0.098 0.000 1.347 133 I CB -0.116 37.807 38.000 -0.127 0.000 1.044 133 I HN -0.696 7.297 8.210 -0.202 0.095 0.408 134 G N -1.943 106.849 108.800 -0.014 0.000 2.421 134 G HA2 -0.348 3.644 3.960 0.054 0.000 0.217 134 G HA3 -0.348 3.640 3.960 0.047 0.000 0.217 134 G C 0.585 175.526 174.900 0.068 0.000 1.143 134 G CA 1.518 46.644 45.100 0.043 0.000 0.784 134 G HN -0.563 7.703 8.290 -0.040 0.000 0.541 135 K N 2.054 122.481 120.400 0.046 0.000 2.032 135 K HA -0.375 3.986 4.320 0.068 0.000 0.209 135 K C 2.388 179.000 176.600 0.020 0.000 1.048 135 K CA 3.238 59.551 56.287 0.042 0.000 0.927 135 K CB -0.042 32.469 32.500 0.018 0.000 0.712 135 K HN -0.153 8.029 8.250 0.018 0.080 0.441 136 R N -2.106 118.399 120.500 0.008 0.000 2.115 136 R HA -0.273 4.068 4.340 0.003 0.000 0.230 136 R C 2.314 178.615 176.300 0.002 0.000 1.111 136 R CA 2.789 58.891 56.100 0.004 0.000 0.976 136 R CB -0.191 30.111 30.300 0.004 0.000 0.870 136 R HN -0.425 7.845 8.270 -0.000 0.000 0.445 137 L N 1.286 122.515 121.223 0.009 0.000 2.042 137 L HA -0.307 4.015 4.340 -0.031 0.000 0.210 137 L C 1.005 177.879 176.870 0.007 0.000 1.076 137 L CA 3.149 57.989 54.840 -0.000 0.000 0.749 137 L CB -0.376 41.703 42.059 0.034 0.000 0.893 137 L HN -0.529 7.601 8.230 0.017 0.110 0.432 138 L N -3.097 118.145 121.223 0.031 0.000 2.046 138 L HA -0.487 3.877 4.340 0.040 0.000 0.208 138 L C 2.264 179.134 176.870 0.001 0.000 1.077 138 L CA 3.360 58.214 54.840 0.024 0.000 0.747 138 L CB -0.849 41.217 42.059 0.011 0.000 0.896 138 L HN -0.567 7.686 8.230 0.043 0.004 0.432 139 R N -1.632 118.866 120.500 -0.004 0.000 2.092 139 R HA -0.369 3.965 4.340 -0.010 0.000 0.231 139 R C 2.540 178.831 176.300 -0.016 0.000 1.119 139 R CA 3.564 59.659 56.100 -0.009 0.000 0.970 139 R CB -0.502 29.794 30.300 -0.007 0.000 0.864 139 R HN -0.629 7.542 8.270 -0.000 0.099 0.440 140 N N -0.406 118.280 118.700 -0.024 0.000 2.166 140 N HA -0.253 4.467 4.740 -0.034 0.000 0.186 140 N C 2.194 177.673 175.510 -0.051 0.000 1.019 140 N CA 3.634 56.659 53.050 -0.041 0.000 0.856 140 N CB 0.051 38.502 38.487 -0.060 0.000 0.993 140 N HN 0.077 8.368 8.380 -0.020 0.076 0.426 141 I N -0.884 119.657 120.570 -0.048 0.000 2.286 141 I HA -0.413 3.718 4.170 -0.065 0.000 0.245 141 I C 1.836 177.943 176.117 -0.017 0.000 1.104 141 I CA 3.214 64.490 61.300 -0.040 0.000 1.397 141 I CB 0.205 38.200 38.000 -0.007 0.000 1.072 141 I HN -0.266 7.921 8.210 -0.037 0.000 0.417 142 L N -2.892 118.325 121.223 -0.010 0.000 2.156 142 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 142 L C 1.198 178.062 176.870 -0.010 0.000 1.095 142 L CA 1.223 56.060 54.840 -0.006 0.000 0.770 142 L CB 0.592 42.648 42.059 -0.006 0.000 0.914 142 L HN -0.446 7.778 8.230 -0.009 0.000 0.439 143 G N -2.231 106.561 108.800 -0.014 0.000 2.248 143 G HA2 -0.390 3.560 3.960 -0.017 0.000 0.252 143 G HA3 -0.390 3.563 3.960 -0.013 0.000 0.252 143 G C -0.636 174.258 174.900 -0.009 0.000 1.085 143 G CA -0.122 44.970 45.100 -0.014 0.000 0.845 143 G HN 0.071 8.140 8.290 -0.017 0.210 0.494 144 L N -0.017 121.200 121.223 -0.009 0.000 2.439 144 L HA 0.048 4.385 4.340 -0.005 0.000 0.269 144 L C -0.234 176.634 176.870 -0.004 0.000 1.179 144 L CA 0.582 55.418 54.840 -0.006 0.000 0.828 144 L CB 1.187 43.242 42.059 -0.006 0.000 1.106 144 L HN -0.570 7.653 8.230 -0.010 0.000 0.467 145 K N 4.704 125.103 120.400 -0.002 0.000 2.448 145 K HA -0.139 4.181 4.320 -0.000 0.000 0.278 145 K C -0.466 176.136 176.600 0.003 0.000 1.009 145 K CA 0.817 57.104 56.287 0.000 0.000 0.995 145 K CB 0.235 32.737 32.500 0.002 0.000 0.917 145 K HN 0.088 8.337 8.250 -0.002 0.000 0.481 146 I N 5.654 126.227 120.570 0.004 0.000 2.406 146 I HA 0.093 4.268 4.170 0.009 0.000 0.290 146 I C -0.209 175.914 176.117 0.011 0.000 0.999 146 I CA -0.564 60.741 61.300 0.008 0.000 1.124 146 I CB 1.934 39.938 38.000 0.007 0.000 1.289 146 I HN 0.350 8.562 8.210 0.003 0.000 0.441 147 I N 5.553 126.132 120.570 0.015 0.000 2.315 147 I HA -0.275 3.904 4.170 0.016 0.000 0.248 147 I C -0.199 175.931 176.117 0.021 0.000 1.117 147 I CA 0.922 62.233 61.300 0.018 0.000 1.404 147 I CB 0.250 38.263 38.000 0.021 0.000 1.071 147 I HN 0.546 8.765 8.210 0.015 0.000 0.419 148 D N -1.938 118.476 120.400 0.024 0.000 6.013 148 D HA -0.180 4.478 4.640 0.030 0.000 0.242 148 D C 0.557 176.878 176.300 0.035 0.000 1.609 148 D CA 0.586 54.602 54.000 0.027 0.000 1.473 148 D CB -0.121 40.690 40.800 0.019 0.000 0.711 148 D HN -0.175 8.209 8.370 0.024 0.000 0.388 149 L N 3.599 124.851 121.223 0.047 0.000 2.610 149 L HA -0.102 4.270 4.340 0.054 0.000 0.232 149 L C 0.798 177.702 176.870 0.057 0.000 1.149 149 L CA 0.795 55.670 54.840 0.059 0.000 0.872 149 L CB -0.996 41.111 42.059 0.079 0.000 0.992 149 L HN 0.387 8.647 8.230 0.050 0.000 0.447 150 S N -1.736 113.992 115.700 0.045 0.000 2.528 150 S HA -0.085 4.608 4.470 0.047 -0.194 0.219 150 S C 0.763 175.380 174.600 0.029 0.000 0.985 150 S CA 0.858 59.081 58.200 0.039 0.000 0.914 150 S CB 0.576 63.793 63.200 0.028 0.000 0.776 150 S HN -0.804 7.641 8.310 0.040 -0.111 0.526 151 A N 1.143 123.979 122.820 0.027 0.000 2.346 151 A HA 0.103 4.434 4.320 0.018 0.000 0.242 151 A C -0.657 176.941 177.584 0.023 0.000 1.323 151 A CA -0.243 51.806 52.037 0.021 0.000 0.940 151 A CB -0.561 18.450 19.000 0.019 0.000 0.943 151 A HN -0.890 7.236 8.150 0.029 0.041 0.501 152 I N -0.921 119.666 120.570 0.028 0.000 2.337 152 I HA -0.111 4.074 4.170 0.026 0.000 0.291 152 I C -0.593 175.538 176.117 0.022 0.000 1.046 152 I CA -1.099 60.218 61.300 0.028 0.000 1.324 152 I CB -1.235 36.786 38.000 0.035 0.000 1.409 152 I HN -0.638 7.475 8.210 0.031 0.115 0.494 153 Q N 4.927 124.739 119.800 0.019 0.000 2.352 153 Q HA -0.086 4.263 4.340 0.015 0.000 0.212 153 Q C -1.208 174.802 176.000 0.017 0.000 0.888 153 Q CA 0.631 56.443 55.803 0.016 0.000 0.934 153 Q CB 1.226 29.973 28.738 0.014 0.000 1.093 153 Q HN 0.391 8.673 8.270 0.020 0.000 0.523 154 D N -1.397 119.015 120.400 0.019 0.000 2.527 154 D HA 0.208 4.859 4.640 0.018 0.000 0.233 154 D C -0.984 175.326 176.300 0.017 0.000 1.063 154 D CA -0.919 53.093 54.000 0.019 0.000 0.880 154 D CB 2.218 43.032 40.800 0.023 0.000 1.457 154 D HN -0.344 8.038 8.370 0.020 0.000 0.475 155 E N -0.097 120.112 120.200 0.015 0.000 2.415 155 E HA -0.010 4.521 4.350 0.005 -0.178 0.263 155 E C -0.681 175.919 176.600 0.001 0.000 0.995 155 E CA 0.611 57.015 56.400 0.007 0.000 0.915 155 E CB 0.397 30.101 29.700 0.008 0.000 0.951 155 E HN 0.253 8.624 8.360 0.018 0.000 0.449 156 V N -2.779 117.127 119.914 -0.013 0.000 3.232 156 V HA 0.443 4.543 4.120 -0.033 0.000 0.303 156 V C -2.050 174.012 176.094 -0.054 0.000 1.311 156 V CA -2.417 59.868 62.300 -0.026 0.000 1.061 156 V CB 3.291 35.111 31.823 -0.004 0.000 1.085 156 V HN 0.682 8.863 8.190 -0.014 0.000 0.447 157 I N -0.582 119.945 120.570 -0.072 0.000 2.499 157 I HA 0.013 4.102 4.170 -0.134 0.000 0.296 157 I C -1.755 174.339 176.117 -0.039 0.000 0.992 157 I CA -0.644 60.599 61.300 -0.095 0.000 1.297 157 I CB 1.600 39.527 38.000 -0.120 0.000 1.410 157 I HN 0.901 8.948 8.210 -0.069 0.122 0.507 158 L N 6.331 127.544 121.223 -0.015 0.000 2.257 158 L HA 0.312 4.686 4.340 0.057 0.000 0.290 158 L C -2.383 174.529 176.870 0.070 0.000 1.044 158 L CA -0.711 54.170 54.840 0.069 0.000 0.810 158 L CB 1.121 43.295 42.059 0.191 0.000 1.193 158 L HN -0.151 8.037 8.230 -0.070 0.000 0.425 159 V N 8.632 128.575 119.914 0.049 0.000 2.487 159 V HA 0.944 5.332 4.120 0.047 -0.240 0.298 159 V C -1.809 174.311 176.094 0.043 0.000 1.028 159 V CA -1.643 60.681 62.300 0.040 0.000 0.860 159 V CB 2.792 34.625 31.823 0.017 0.000 0.991 159 V HN -0.018 8.197 8.190 0.042 0.000 0.427 160 A N 5.032 127.879 122.820 0.044 0.000 2.610 160 A HA 0.532 4.871 4.320 0.031 0.000 0.291 160 A C -1.833 175.769 177.584 0.029 0.000 1.086 160 A CA -1.134 50.925 52.037 0.037 0.000 0.677 160 A CB 3.536 22.563 19.000 0.045 0.000 1.278 160 A HN 0.142 8.320 8.150 0.047 0.000 0.414 161 A N -1.167 121.666 122.820 0.022 0.000 1.930 161 A HA -0.102 4.615 4.320 0.015 -0.388 0.217 161 A C -1.188 176.407 177.584 0.018 0.000 1.175 161 A CA 2.174 54.221 52.037 0.016 0.000 0.627 161 A CB 0.592 19.599 19.000 0.012 0.000 0.815 161 A HN 0.725 8.887 8.150 0.021 0.000 0.443 162 D N -6.684 113.727 120.400 0.019 0.000 2.722 162 D HA -0.011 4.642 4.640 0.021 0.000 0.231 162 D C -1.924 174.388 176.300 0.019 0.000 1.218 162 D CA -0.588 53.423 54.000 0.018 0.000 0.753 162 D CB 1.281 42.087 40.800 0.010 0.000 1.471 162 D HN -0.751 7.621 8.370 0.021 0.010 0.455 163 L N 0.895 122.130 121.223 0.019 0.000 2.329 163 L HA 0.370 4.723 4.340 0.023 0.000 0.279 163 L C 0.053 176.930 176.870 0.012 0.000 1.014 163 L CA -0.962 53.890 54.840 0.020 0.000 0.814 163 L CB 1.917 43.988 42.059 0.020 0.000 1.257 163 L HN 0.335 8.576 8.230 0.019 0.000 0.424 164 T N -1.026 113.529 114.554 0.002 0.000 2.909 164 T HA 0.413 4.738 4.350 -0.041 0.000 0.286 164 T C -0.491 174.181 174.700 -0.047 0.000 1.002 164 T CA -3.154 58.927 62.100 -0.032 0.000 1.074 164 T CB 0.553 69.397 68.868 -0.041 0.000 0.984 164 T HN 0.054 8.300 8.240 0.010 0.000 0.495 165 P HA -0.227 4.047 4.420 -0.243 0.000 0.219 165 P C 1.274 178.511 177.300 -0.105 0.000 1.153 165 P CA 2.833 65.754 63.100 -0.298 0.000 0.865 165 P CB 0.065 31.406 31.700 -0.599 0.000 0.788 166 S N -3.559 112.125 115.700 -0.027 0.000 2.370 166 S HA -0.434 4.281 4.470 0.408 0.000 0.226 166 S C 1.793 176.514 174.600 0.201 0.000 1.033 166 S CA 4.101 62.423 58.200 0.204 0.000 1.011 166 S CB -0.413 62.898 63.200 0.185 0.000 0.852 166 S HN 0.228 8.469 8.310 -0.075 0.024 0.457 167 E N -0.431 119.830 120.200 0.102 0.000 2.072 167 E HA -0.282 4.129 4.350 0.102 0.000 0.191 167 E C 2.016 178.676 176.600 0.101 0.000 0.985 167 E CA 2.521 58.978 56.400 0.094 0.000 0.801 167 E CB 0.007 29.745 29.700 0.063 0.000 0.750 167 E HN -0.127 8.166 8.360 0.060 0.103 0.452 168 T N -2.137 112.455 114.554 0.064 0.000 2.803 168 T HA -0.297 4.069 4.350 0.027 0.000 0.269 168 T C 1.729 176.452 174.700 0.040 0.000 1.052 168 T CA 3.429 65.536 62.100 0.013 0.000 1.136 168 T CB -0.628 68.206 68.868 -0.056 0.000 0.864 168 T HN -0.551 7.720 8.240 0.051 0.000 0.467 169 A N 3.118 125.998 122.820 0.100 0.000 1.854 169 A HA -0.150 4.237 4.320 0.111 0.000 0.214 169 A C 1.689 179.463 177.584 0.316 0.000 1.192 169 A CA 2.233 54.405 52.037 0.227 0.000 0.611 169 A CB -0.324 18.893 19.000 0.361 0.000 0.832 169 A HN -0.679 7.537 8.150 0.150 0.024 0.442 170 Q N -3.384 116.526 119.800 0.184 0.000 2.292 170 Q HA -0.071 4.335 4.340 0.111 0.000 0.247 170 Q C -1.288 174.798 176.000 0.143 0.000 0.911 170 Q CA -0.940 54.936 55.803 0.122 0.000 0.948 170 Q CB -1.009 27.762 28.738 0.055 0.000 1.093 170 Q HN -0.362 8.011 8.270 0.171 0.000 0.428 171 L N 0.461 121.812 121.223 0.213 0.000 2.317 171 L HA 0.212 4.643 4.340 0.151 0.000 0.281 171 L C -1.497 175.483 176.870 0.183 0.000 1.024 171 L CA -1.063 53.894 54.840 0.195 0.000 0.810 171 L CB 2.664 44.856 42.059 0.221 0.000 1.240 171 L HN -0.832 7.461 8.230 0.311 0.124 0.427 172 N N 5.758 124.542 118.700 0.140 0.000 2.415 172 N HA 0.057 4.838 4.740 0.068 0.000 0.250 172 N C 0.333 175.919 175.510 0.127 0.000 1.127 172 N CA 0.362 53.471 53.050 0.098 0.000 0.945 172 N CB -0.068 38.461 38.487 0.069 0.000 1.196 172 N HN 0.454 8.914 8.380 0.134 0.000 0.499 173 L N 3.411 124.699 121.223 0.109 0.000 2.056 173 L HA -0.331 4.181 4.340 0.286 0.000 0.207 173 L C 1.574 178.492 176.870 0.080 0.000 1.078 173 L CA 3.565 58.495 54.840 0.149 0.000 0.749 173 L CB -0.199 41.904 42.059 0.074 0.000 0.901 173 L HN -0.002 8.260 8.230 0.052 0.000 0.433 174 K N -3.137 117.283 120.400 0.033 0.000 2.211 174 K HA -0.176 4.150 4.320 0.010 0.000 0.203 174 K C 0.543 177.150 176.600 0.012 0.000 1.050 174 K CA 2.196 58.492 56.287 0.014 0.000 0.945 174 K CB -0.249 32.252 32.500 0.002 0.000 0.732 174 K HN 0.163 8.424 8.250 0.019 0.000 0.451 175 K N -3.813 116.601 120.400 0.024 0.000 2.393 175 K HA 0.031 4.356 4.320 0.008 0.000 0.193 175 K C -1.344 175.261 176.600 0.008 0.000 1.026 175 K CA 0.156 56.453 56.287 0.017 0.000 1.064 175 K CB 0.432 32.947 32.500 0.026 0.000 0.833 175 K HN -0.424 7.830 8.250 0.038 0.019 0.521 176 V N 0.389 120.310 119.914 0.012 0.000 2.333 176 V HA 0.281 4.602 4.120 -0.045 -0.228 0.274 176 V C -0.179 175.807 176.094 -0.179 0.000 1.028 176 V CA -0.535 61.737 62.300 -0.046 0.000 0.851 176 V CB 0.305 32.171 31.823 0.072 0.000 1.000 176 V HN -0.727 7.326 8.190 0.040 0.161 0.456 177 L N 6.039 127.147 121.223 -0.191 0.000 2.627 177 L HA 0.031 4.270 4.340 -0.168 0.000 0.233 177 L C 0.077 176.733 176.870 -0.356 0.000 1.144 177 L CA 0.210 54.925 54.840 -0.207 0.000 0.892 177 L CB -0.226 41.762 42.059 -0.119 0.000 1.039 177 L HN -0.030 8.113 8.230 -0.144 0.000 0.442 178 G N -3.931 104.499 108.800 -0.615 0.000 2.316 178 G HA2 0.035 3.452 3.960 -0.994 0.000 0.296 178 G HA3 0.035 3.726 3.960 -0.448 0.000 0.296 178 G C -2.581 171.726 174.900 -0.989 0.000 1.399 178 G CA 0.413 45.028 45.100 -0.808 0.000 0.833 178 G HN -0.807 7.026 8.290 -0.615 0.088 0.565 179 F N -2.091 117.856 119.950 -0.004 0.000 2.539 179 F HA 0.546 5.197 4.527 0.005 -0.121 0.318 179 F C -1.580 174.216 175.800 -0.008 0.000 1.135 179 F CA -1.302 56.699 58.000 0.002 0.000 0.915 179 F CB 3.644 42.652 39.000 0.013 0.000 1.176 179 F HN -0.520 7.602 8.300 -0.297 0.000 0.440 180 I N 3.417 124.074 120.570 0.144 0.000 2.499 180 I HA 0.806 5.231 4.170 0.074 -0.211 0.288 180 I C -1.460 174.698 176.117 0.069 0.000 1.048 180 I CA -1.130 60.215 61.300 0.074 0.000 1.062 180 I CB 3.413 41.424 38.000 0.020 0.000 1.238 180 I HN 0.973 9.274 8.210 0.150 0.000 0.426 181 T N 2.598 117.186 114.554 0.055 0.000 2.843 181 T HA 0.694 5.266 4.350 0.037 -0.199 0.302 181 T C -0.863 173.852 174.700 0.025 0.000 1.232 181 T CA -2.399 59.725 62.100 0.041 0.000 1.009 181 T CB 3.015 71.910 68.868 0.045 0.000 1.254 181 T HN 0.656 8.812 8.240 0.053 0.116 0.504 182 D N -0.025 120.386 120.400 0.019 0.000 2.427 182 D HA 0.135 4.916 4.640 0.010 -0.135 0.224 182 D C -0.241 176.066 176.300 0.011 0.000 1.157 182 D CA -0.483 53.524 54.000 0.011 0.000 0.828 182 D CB -0.886 39.918 40.800 0.007 0.000 0.974 182 D HN -0.031 8.351 8.370 0.020 0.000 0.498 183 A N 0.288 123.116 122.820 0.013 0.000 2.206 183 A HA -0.168 4.158 4.320 0.009 0.000 0.286 183 A C 1.340 178.929 177.584 0.008 0.000 1.334 183 A CA 0.720 52.763 52.037 0.011 0.000 0.843 183 A CB 0.532 19.540 19.000 0.013 0.000 1.169 183 A HN -0.964 7.121 8.150 0.018 0.075 0.511 184 G N -3.842 104.963 108.800 0.008 0.000 2.404 184 G HA2 -0.098 3.865 3.960 0.005 0.000 0.214 184 G HA3 -0.098 3.866 3.960 0.007 0.000 0.214 184 G C -0.337 174.568 174.900 0.007 0.000 1.189 184 G CA 0.910 46.014 45.100 0.007 0.000 0.789 184 G HN 0.433 8.728 8.290 0.008 0.000 0.533 185 G N -1.600 107.205 108.800 0.008 0.000 2.498 185 G HA2 0.033 3.998 3.960 0.008 0.000 0.181 185 G HA3 0.033 3.998 3.960 0.007 0.000 0.181 185 G C -0.184 174.720 174.900 0.007 0.000 1.169 185 G CA -0.040 45.064 45.100 0.008 0.000 0.992 185 G HN -0.685 7.611 8.290 0.010 0.000 0.490 186 R N -0.781 119.723 120.500 0.005 0.000 2.148 186 R HA -0.126 4.212 4.340 -0.003 0.000 0.227 186 R C 0.871 177.174 176.300 0.004 0.000 1.103 186 R CA 1.672 57.772 56.100 0.001 0.000 0.983 186 R CB -0.198 30.103 30.300 0.001 0.000 0.874 186 R HN 0.256 8.529 8.270 0.006 0.000 0.451 187 T N -7.218 107.343 114.554 0.012 0.000 3.155 187 T HA -0.182 4.183 4.350 0.025 0.000 0.264 187 T C -0.137 174.580 174.700 0.028 0.000 1.160 187 T CA 1.051 63.164 62.100 0.022 0.000 1.075 187 T CB -0.937 67.946 68.868 0.024 0.000 0.921 187 T HN -0.427 7.789 8.240 0.011 0.031 0.533 188 S N 1.640 117.352 115.700 0.019 0.000 2.499 188 S HA 0.070 4.564 4.470 0.040 0.000 0.279 188 S C 0.508 175.130 174.600 0.037 0.000 1.219 188 S CA -1.284 56.934 58.200 0.030 0.000 1.062 188 S CB 1.432 64.641 63.200 0.016 0.000 0.978 188 S HN -0.605 7.486 8.310 0.010 0.225 0.489 189 H N 8.058 127.101 119.070 -0.044 0.000 2.289 189 H HA -0.368 4.155 4.556 -0.055 0.000 0.294 189 H C 1.590 176.864 175.328 -0.091 0.000 1.095 189 H CA 4.305 60.314 56.048 -0.066 0.000 1.256 189 H CB -0.067 29.648 29.762 -0.079 0.000 1.359 189 H HN 0.814 9.184 8.280 0.151 0.000 0.487 190 T N -1.322 113.196 114.554 -0.060 0.000 2.759 190 T HA -0.388 3.784 4.350 -0.296 0.000 0.269 190 T C 1.837 176.420 174.700 -0.195 0.000 1.042 190 T CA 3.363 65.350 62.100 -0.187 0.000 1.140 190 T CB -0.642 68.162 68.868 -0.107 0.000 0.864 190 T HN 0.075 8.368 8.240 0.088 0.000 0.455 191 S N 0.353 115.990 115.700 -0.105 0.000 2.368 191 S HA -0.338 4.109 4.470 -0.039 0.000 0.225 191 S C 1.743 176.291 174.600 -0.086 0.000 1.030 191 S CA 3.077 61.239 58.200 -0.064 0.000 0.999 191 S CB -0.312 62.872 63.200 -0.027 0.000 0.844 191 S HN -0.603 7.558 8.310 -0.066 0.110 0.459 192 I N 1.224 121.715 120.570 -0.130 0.000 2.286 192 I HA -0.524 3.602 4.170 -0.074 0.000 0.248 192 I C 1.431 177.463 176.117 -0.141 0.000 1.115 192 I CA 3.219 64.443 61.300 -0.126 0.000 1.392 192 I CB -0.151 37.756 38.000 -0.155 0.000 1.065 192 I HN -0.677 7.444 8.210 -0.148 0.000 0.418 193 M N -1.098 118.366 119.600 -0.227 0.000 2.117 193 M HA -0.489 3.909 4.480 -0.136 0.000 0.262 193 M C 1.878 178.136 176.300 -0.071 0.000 1.065 193 M CA 4.308 59.497 55.300 -0.185 0.000 1.114 193 M CB -0.438 31.980 32.600 -0.304 0.000 1.361 193 M HN -0.739 7.267 8.290 -0.312 0.097 0.408 194 A N -1.189 121.598 122.820 -0.054 0.000 1.908 194 A HA -0.414 4.053 4.320 0.246 0.000 0.218 194 A C 1.815 179.447 177.584 0.080 0.000 1.181 194 A CA 3.219 55.323 52.037 0.112 0.000 0.627 194 A CB -0.818 18.274 19.000 0.154 0.000 0.818 194 A HN -0.349 7.732 8.150 -0.114 0.000 0.445 195 R N -2.365 118.152 120.500 0.028 0.000 2.070 195 R HA -0.328 4.032 4.340 0.032 0.000 0.232 195 R C 2.967 179.284 176.300 0.028 0.000 1.138 195 R CA 2.873 58.987 56.100 0.023 0.000 0.936 195 R CB -0.115 30.186 30.300 0.001 0.000 0.839 195 R HN -0.706 7.561 8.270 -0.000 0.002 0.429 196 S N -0.763 114.947 115.700 0.016 0.000 2.382 196 S HA -0.216 4.268 4.470 0.023 0.000 0.228 196 S C 1.972 176.604 174.600 0.053 0.000 1.027 196 S CA 2.859 61.075 58.200 0.027 0.000 0.991 196 S CB -0.029 63.181 63.200 0.016 0.000 0.823 196 S HN -0.488 7.819 8.310 -0.006 0.000 0.469 197 L N -0.976 120.293 121.223 0.078 0.000 2.291 197 L HA -0.161 4.239 4.340 0.099 0.000 0.214 197 L C -0.147 176.782 176.870 0.099 0.000 1.120 197 L CA 1.405 56.313 54.840 0.114 0.000 0.799 197 L CB 0.425 42.599 42.059 0.193 0.000 0.925 197 L HN 0.267 8.420 8.230 0.067 0.117 0.446 198 E N -5.771 114.481 120.200 0.087 0.000 2.340 198 E HA -0.412 3.972 4.350 0.057 0.000 0.240 198 E C -1.540 175.102 176.600 0.070 0.000 1.154 198 E CA 0.967 57.406 56.400 0.065 0.000 0.717 198 E CB -2.674 27.053 29.700 0.046 0.000 1.250 198 E HN -0.340 7.933 8.360 0.085 0.139 0.386 199 L N -1.753 119.531 121.223 0.102 0.000 2.381 199 L HA 0.510 4.862 4.340 0.021 0.000 0.268 199 L C -1.948 174.946 176.870 0.040 0.000 0.997 199 L CA -3.051 51.824 54.840 0.059 0.000 0.818 199 L CB 1.882 43.986 42.059 0.074 0.000 1.310 199 L HN -0.808 7.506 8.230 0.140 0.000 0.416 200 P HA 0.022 4.663 4.420 -0.001 -0.222 0.265 200 P C -1.699 175.586 177.300 -0.024 0.000 1.193 200 P CA -0.324 62.759 63.100 -0.029 0.000 0.765 200 P CB 0.265 31.922 31.700 -0.071 0.000 0.823 201 A N 1.486 124.322 122.820 0.027 0.000 2.590 201 A HA 0.501 4.908 4.320 0.026 -0.071 0.294 201 A C -2.515 175.103 177.584 0.058 0.000 1.046 201 A CA -0.033 52.047 52.037 0.073 0.000 0.684 201 A CB 3.601 22.751 19.000 0.250 0.000 1.279 201 A HN -0.314 7.850 8.150 0.024 0.000 0.415 202 I N -0.728 119.873 120.570 0.052 0.000 2.646 202 I HA 0.361 4.547 4.170 0.028 0.000 0.299 202 I C -1.014 175.128 176.117 0.043 0.000 1.036 202 I CA -0.882 60.438 61.300 0.032 0.000 1.074 202 I CB 3.993 41.999 38.000 0.009 0.000 1.258 202 I HN 0.011 8.257 8.210 0.060 0.000 0.430 203 V N -0.437 119.495 119.914 0.030 0.000 3.451 203 V HA 0.526 4.752 4.120 0.035 -0.085 0.288 203 V C 0.188 176.292 176.094 0.016 0.000 1.502 203 V CA -0.192 62.124 62.300 0.027 0.000 1.026 203 V CB 1.252 33.089 31.823 0.023 0.000 0.840 203 V HN 0.415 8.618 8.190 0.022 0.000 0.437 204 G N -0.890 107.916 108.800 0.011 0.000 3.690 204 G HA2 0.254 4.218 3.960 0.006 0.000 0.283 204 G HA3 0.254 4.216 3.960 0.004 0.000 0.283 204 G C 1.091 175.991 174.900 0.001 0.000 1.057 204 G CA -0.050 45.054 45.100 0.005 0.000 0.821 204 G HN -0.217 8.080 8.290 0.011 0.000 0.526 205 T N 0.547 115.102 114.554 0.002 0.000 2.680 205 T HA -0.400 3.944 4.350 -0.010 0.000 0.268 205 T C 1.440 176.136 174.700 -0.006 0.000 1.033 205 T CA 3.304 65.401 62.100 -0.005 0.000 1.152 205 T CB -0.162 68.704 68.868 -0.004 0.000 0.859 205 T HN -0.610 7.565 8.240 0.007 0.069 0.452 206 G N 1.742 110.540 108.800 -0.002 0.000 2.812 206 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.219 206 G HA3 -0.303 3.654 3.960 -0.005 0.000 0.219 206 G C -0.632 174.267 174.900 -0.003 0.000 1.275 206 G CA 0.329 45.428 45.100 -0.003 0.000 0.769 206 G HN 0.257 8.542 8.290 0.001 0.006 0.527 207 S N -1.294 114.403 115.700 -0.005 0.000 2.665 207 S HA 0.137 4.606 4.470 -0.001 0.000 0.226 207 S C -0.314 174.282 174.600 -0.006 0.000 0.773 207 S CA -1.052 57.146 58.200 -0.004 0.000 1.041 207 S CB 0.059 63.256 63.200 -0.005 0.000 1.570 207 S HN -0.462 7.771 8.310 -0.008 0.072 0.470 208 V N 1.379 121.289 119.914 -0.006 0.000 2.407 208 V HA -0.231 3.881 4.120 -0.013 0.000 0.245 208 V C 2.102 178.194 176.094 -0.003 0.000 1.041 208 V CA 2.703 64.998 62.300 -0.009 0.000 1.040 208 V CB 0.203 32.019 31.823 -0.012 0.000 0.671 208 V HN 0.016 8.203 8.190 -0.004 0.000 0.455 209 T N -1.099 113.456 114.554 0.002 0.000 2.803 209 T HA -0.388 3.966 4.350 0.007 0.000 0.269 209 T C 0.977 175.680 174.700 0.005 0.000 1.052 209 T CA 3.639 65.743 62.100 0.006 0.000 1.136 209 T CB -0.430 68.444 68.868 0.010 0.000 0.864 209 T HN -0.002 8.240 8.240 0.003 0.000 0.467 210 S N -2.358 113.344 115.700 0.003 0.000 2.522 210 S HA -0.132 4.341 4.470 0.005 0.000 0.227 210 S C 0.911 175.513 174.600 0.003 0.000 0.986 210 S CA 1.366 59.568 58.200 0.003 0.000 0.929 210 S CB -0.442 62.759 63.200 0.002 0.000 0.769 210 S HN 0.064 8.352 8.310 0.002 0.024 0.529 211 Q N -1.880 117.921 119.800 0.001 0.000 2.352 211 Q HA 0.052 4.394 4.340 0.003 0.000 0.212 211 Q C 0.092 176.096 176.000 0.006 0.000 0.888 211 Q CA 0.093 55.896 55.803 0.001 0.000 0.934 211 Q CB 1.762 30.497 28.738 -0.005 0.000 1.093 211 Q HN -0.202 7.869 8.270 -0.000 0.198 0.523 212 V N 0.023 119.941 119.914 0.006 0.000 2.547 212 V HA 0.019 4.148 4.120 0.015 0.000 0.299 212 V C -1.084 175.019 176.094 0.014 0.000 1.040 212 V CA -1.739 60.568 62.300 0.011 0.000 0.913 212 V CB 0.939 32.766 31.823 0.006 0.000 0.992 212 V HN -0.569 7.464 8.190 0.005 0.160 0.449 213 K N 3.824 124.236 120.400 0.019 0.000 2.221 213 K HA 0.337 4.667 4.320 0.017 0.000 0.243 213 K C -1.312 175.302 176.600 0.022 0.000 0.968 213 K CA -2.046 54.252 56.287 0.020 0.000 0.846 213 K CB 2.268 34.781 32.500 0.022 0.000 1.141 213 K HN 0.574 9.194 8.250 0.023 -0.356 0.434 214 N N 1.811 120.523 118.700 0.021 0.000 2.416 214 N HA -0.303 4.632 4.740 0.020 -0.183 0.246 214 N C 0.376 175.903 175.510 0.029 0.000 1.260 214 N CA 0.996 54.059 53.050 0.023 0.000 0.897 214 N CB -0.224 38.276 38.487 0.022 0.000 1.110 214 N HN 0.006 8.397 8.380 0.020 0.000 0.439 215 D N -2.853 117.567 120.400 0.032 0.000 3.006 215 D HA -0.496 4.173 4.640 0.048 0.000 0.205 215 D C -1.261 175.079 176.300 0.066 0.000 1.075 215 D CA 1.722 55.750 54.000 0.047 0.000 1.000 215 D CB -0.266 40.561 40.800 0.044 0.000 1.097 215 D HN 0.330 8.716 8.370 0.026 0.000 0.426 216 D N -1.490 118.944 120.400 0.056 0.000 2.345 216 D HA 0.061 4.761 4.640 0.099 0.000 0.247 216 D C -0.977 175.386 176.300 0.105 0.000 1.108 216 D CA 0.212 54.260 54.000 0.081 0.000 0.894 216 D CB 1.445 42.277 40.800 0.054 0.000 1.203 216 D HN -0.656 7.675 8.370 0.038 0.061 0.430 217 Y N 3.468 123.789 120.300 0.035 0.000 2.350 217 Y HA 0.078 4.784 4.550 0.045 -0.129 0.340 217 Y C -1.774 174.159 175.900 0.054 0.000 1.006 217 Y CA 0.656 58.784 58.100 0.047 0.000 1.166 217 Y CB 0.878 39.369 38.460 0.052 0.000 1.168 217 Y HN 0.234 8.664 8.280 0.250 0.000 0.502 218 L N 6.344 127.392 121.223 -0.292 0.000 2.370 218 L HA 0.830 5.400 4.340 0.056 -0.196 0.266 218 L C -1.342 175.400 176.870 -0.213 0.000 1.002 218 L CA -1.899 52.872 54.840 -0.115 0.000 0.818 218 L CB 4.498 46.500 42.059 -0.095 0.000 1.325 218 L HN 0.314 8.208 8.230 -0.559 0.000 0.418 219 I N 0.010 120.558 120.570 -0.035 0.000 2.406 219 I HA 0.456 4.589 4.170 -0.312 -0.150 0.290 219 I C -1.542 174.497 176.117 -0.130 0.000 0.999 219 I CA -1.285 59.933 61.300 -0.136 0.000 1.124 219 I CB 2.730 40.739 38.000 0.015 0.000 1.289 219 I HN -0.094 8.167 8.210 0.084 0.000 0.441 220 L N 7.843 128.906 121.223 -0.266 0.000 2.257 220 L HA 0.411 4.694 4.340 -0.095 0.000 0.290 220 L C -1.047 175.719 176.870 -0.173 0.000 1.044 220 L CA -1.101 53.636 54.840 -0.171 0.000 0.810 220 L CB 1.930 43.882 42.059 -0.179 0.000 1.193 220 L HN 0.398 8.380 8.230 -0.413 0.000 0.425 221 D N 9.654 130.018 120.400 -0.060 0.000 2.120 221 D HA -0.149 4.452 4.640 -0.066 0.000 0.202 221 D C 0.679 176.953 176.300 -0.044 0.000 0.972 221 D CA 2.392 56.374 54.000 -0.030 0.000 0.837 221 D CB 0.222 41.061 40.800 0.065 0.000 0.989 221 D HN 0.131 8.490 8.370 -0.017 0.000 0.469 222 A N -3.564 119.234 122.820 -0.037 0.000 2.822 222 A HA -0.345 3.961 4.320 -0.023 0.000 0.279 222 A C -0.337 177.239 177.584 -0.013 0.000 1.356 222 A CA 1.782 53.802 52.037 -0.029 0.000 0.961 222 A CB -1.092 17.882 19.000 -0.043 0.000 0.977 222 A HN 0.381 8.509 8.150 -0.035 0.000 0.650 223 V N -4.478 115.434 119.914 -0.003 0.000 3.103 223 V HA -0.094 4.030 4.120 0.006 0.000 0.229 223 V C 0.603 176.706 176.094 0.015 0.000 1.304 223 V CA 1.686 63.991 62.300 0.008 0.000 1.298 223 V CB 0.740 32.570 31.823 0.012 0.000 1.093 223 V HN -0.139 7.960 8.190 -0.001 0.091 0.489 224 N N -0.358 118.357 118.700 0.025 0.000 2.280 224 N HA -0.013 4.741 4.740 0.024 0.000 0.192 224 N C -0.488 175.029 175.510 0.011 0.000 1.109 224 N CA -0.938 52.129 53.050 0.029 0.000 0.855 224 N CB -0.042 38.481 38.487 0.060 0.000 0.974 224 N HN -0.128 8.270 8.380 0.031 0.000 0.482 225 N N -2.574 116.127 118.700 0.002 0.000 2.756 225 N HA -0.334 4.396 4.740 -0.017 0.000 0.248 225 N C -1.921 173.568 175.510 -0.036 0.000 1.062 225 N CA 1.086 54.127 53.050 -0.015 0.000 0.696 225 N CB -0.669 37.811 38.487 -0.013 0.000 0.946 225 N HN 0.147 8.549 8.380 0.005 -0.019 0.548 226 Q N -4.751 115.024 119.800 -0.041 0.000 2.456 226 Q HA 0.318 4.577 4.340 -0.136 0.000 0.283 226 Q C -1.861 174.055 176.000 -0.141 0.000 1.084 226 Q CA -1.054 54.674 55.803 -0.125 0.000 0.801 226 Q CB 3.911 32.542 28.738 -0.177 0.000 1.434 226 Q HN -0.519 7.745 8.270 -0.010 0.000 0.419 227 V N 0.752 120.525 119.914 -0.235 0.000 2.540 227 V HA 0.602 4.874 4.120 -0.043 -0.177 0.302 227 V C -0.508 175.425 176.094 -0.268 0.000 1.035 227 V CA -1.268 60.942 62.300 -0.150 0.000 0.873 227 V CB 1.706 33.472 31.823 -0.094 0.000 0.992 227 V HN 0.291 8.313 8.190 -0.281 0.000 0.428 228 Y N 7.336 127.630 120.300 -0.010 0.000 2.335 228 Y HA 0.102 4.666 4.550 0.024 0.000 0.339 228 Y C -0.933 174.997 175.900 0.050 0.000 0.987 228 Y CA -0.840 57.276 58.100 0.027 0.000 1.140 228 Y CB 1.405 39.894 38.460 0.048 0.000 1.173 228 Y HN -0.029 8.396 8.280 0.242 0.000 0.486 229 V N 4.892 124.897 119.914 0.152 0.000 2.333 229 V HA 0.073 4.276 4.120 0.137 0.000 0.274 229 V C -0.195 175.993 176.094 0.158 0.000 1.028 229 V CA -1.221 61.157 62.300 0.130 0.000 0.851 229 V CB 0.029 31.890 31.823 0.064 0.000 1.000 229 V HN 0.308 8.557 8.190 0.099 0.000 0.456 230 N N 7.388 126.208 118.700 0.200 0.000 2.641 230 N HA -0.257 4.578 4.740 0.159 0.000 0.267 230 N C -2.248 173.335 175.510 0.123 0.000 1.087 230 N CA 0.414 53.554 53.050 0.150 0.000 0.731 230 N CB -0.177 38.368 38.487 0.097 0.000 0.886 230 N HN -0.106 8.429 8.380 0.258 0.000 0.547 231 P HA 0.201 4.694 4.420 0.121 0.000 0.288 231 P C -0.678 176.641 177.300 0.032 0.000 1.267 231 P CA -0.685 62.479 63.100 0.108 0.000 0.815 231 P CB 1.046 32.822 31.700 0.126 0.000 0.989 232 T N 1.089 115.655 114.554 0.020 0.000 2.748 232 T HA -0.065 4.274 4.350 -0.019 0.000 0.304 232 T C 1.179 175.863 174.700 -0.026 0.000 1.041 232 T CA -0.727 61.368 62.100 -0.008 0.000 1.033 232 T CB 1.015 69.882 68.868 -0.001 0.000 0.995 232 T HN -0.054 8.208 8.240 0.037 0.000 0.536 233 N N 1.750 120.427 118.700 -0.038 0.000 2.166 233 N HA -0.350 4.357 4.740 -0.055 0.000 0.186 233 N C 2.016 177.505 175.510 -0.036 0.000 1.019 233 N CA 3.693 56.716 53.050 -0.045 0.000 0.856 233 N CB -0.342 38.117 38.487 -0.048 0.000 0.993 233 N HN 0.452 8.809 8.380 -0.037 0.000 0.426 234 E N -1.399 118.785 120.200 -0.027 0.000 2.118 234 E HA -0.301 4.034 4.350 -0.025 0.000 0.195 234 E C 2.107 178.688 176.600 -0.031 0.000 0.992 234 E CA 3.264 59.650 56.400 -0.024 0.000 0.804 234 E CB -0.401 29.290 29.700 -0.015 0.000 0.741 234 E HN 0.450 8.789 8.360 -0.024 0.007 0.458 235 V N 0.060 119.953 119.914 -0.035 0.000 2.358 235 V HA -0.367 3.714 4.120 -0.064 0.000 0.246 235 V C 1.764 177.802 176.094 -0.095 0.000 1.047 235 V CA 3.627 65.887 62.300 -0.068 0.000 1.035 235 V CB -0.290 31.495 31.823 -0.064 0.000 0.658 235 V HN -0.792 7.276 8.190 -0.025 0.107 0.452 236 I N 1.111 121.647 120.570 -0.057 0.000 2.202 236 I HA -0.620 3.541 4.170 -0.014 0.000 0.242 236 I C 1.485 177.585 176.117 -0.028 0.000 1.091 236 I CA 4.561 65.847 61.300 -0.024 0.000 1.368 236 I CB -0.573 37.426 38.000 -0.002 0.000 1.058 236 I HN -0.581 7.523 8.210 -0.043 0.081 0.410 237 D N -0.179 120.199 120.400 -0.036 0.000 2.116 237 D HA -0.367 4.252 4.640 -0.036 0.000 0.193 237 D C 2.314 178.598 176.300 -0.027 0.000 0.998 237 D CA 3.985 57.965 54.000 -0.033 0.000 0.836 237 D CB -0.297 40.484 40.800 -0.031 0.000 0.951 237 D HN 0.104 8.451 8.370 -0.038 0.000 0.449 238 K N -0.734 119.646 120.400 -0.033 0.000 2.057 238 K HA -0.276 4.032 4.320 -0.019 0.000 0.207 238 K C 2.621 179.203 176.600 -0.030 0.000 1.049 238 K CA 3.058 59.328 56.287 -0.030 0.000 0.931 238 K CB -0.007 32.472 32.500 -0.036 0.000 0.714 238 K HN -0.456 7.770 8.250 -0.039 0.000 0.440 239 M N -1.449 118.123 119.600 -0.048 0.000 2.229 239 M HA -0.335 4.123 4.480 -0.036 0.000 0.264 239 M C 1.965 178.286 176.300 0.036 0.000 1.063 239 M CA 3.987 59.270 55.300 -0.027 0.000 1.114 239 M CB -0.005 32.558 32.600 -0.061 0.000 1.387 239 M HN -0.188 7.970 8.290 -0.066 0.092 0.420 240 R N -0.784 119.732 120.500 0.027 0.000 2.092 240 R HA -0.165 4.211 4.340 0.060 0.000 0.231 240 R C 2.376 178.685 176.300 0.015 0.000 1.119 240 R CA 2.398 58.513 56.100 0.024 0.000 0.970 240 R CB -0.669 29.617 30.300 -0.022 0.000 0.864 240 R HN 0.496 8.550 8.270 0.005 0.219 0.440 241 A N -0.272 122.551 122.820 0.004 0.000 1.902 241 A HA -0.121 4.404 4.320 0.001 -0.204 0.217 241 A C 2.220 179.811 177.584 0.013 0.000 1.181 241 A CA 2.860 54.899 52.037 0.004 0.000 0.623 241 A CB -0.666 18.334 19.000 -0.001 0.000 0.818 241 A HN -0.279 7.869 8.150 -0.002 0.000 0.443 242 V N -0.502 119.422 119.914 0.017 0.000 2.358 242 V HA -0.415 3.717 4.120 0.019 0.000 0.246 242 V C 1.722 177.836 176.094 0.033 0.000 1.047 242 V CA 3.999 66.313 62.300 0.023 0.000 1.035 242 V CB -0.339 31.498 31.823 0.023 0.000 0.658 242 V HN -0.673 7.520 8.190 0.014 0.006 0.452 243 Q N 0.077 119.905 119.800 0.048 0.000 2.124 243 Q HA -0.434 3.943 4.340 0.061 0.000 0.202 243 Q C 2.193 178.218 176.000 0.041 0.000 0.977 243 Q CA 3.687 59.527 55.803 0.062 0.000 0.850 243 Q CB -0.256 28.546 28.738 0.106 0.000 0.901 243 Q HN -0.268 7.952 8.270 0.052 0.081 0.429 244 E N -0.644 119.572 120.200 0.028 0.000 2.110 244 E HA -0.425 3.935 4.350 0.017 0.000 0.193 244 E C 2.460 179.070 176.600 0.016 0.000 0.988 244 E CA 3.123 59.534 56.400 0.017 0.000 0.804 244 E CB -0.424 29.281 29.700 0.008 0.000 0.745 244 E HN -0.319 7.970 8.360 0.027 0.087 0.458 245 Q N -0.613 119.197 119.800 0.017 0.000 2.084 245 Q HA -0.306 4.041 4.340 0.012 0.000 0.202 245 Q C 2.687 178.698 176.000 0.017 0.000 0.978 245 Q CA 3.149 58.961 55.803 0.015 0.000 0.844 245 Q CB -0.011 28.736 28.738 0.015 0.000 0.898 245 Q HN -0.627 7.558 8.270 0.018 0.096 0.426 246 V N 0.121 120.049 119.914 0.022 0.000 2.343 246 V HA -0.452 3.679 4.120 0.019 0.000 0.247 246 V C 1.604 177.710 176.094 0.021 0.000 1.051 246 V CA 3.367 65.681 62.300 0.022 0.000 1.036 246 V CB -0.538 31.302 31.823 0.028 0.000 0.654 246 V HN -0.315 7.812 8.190 0.025 0.077 0.451 247 A N -0.739 122.094 122.820 0.022 0.000 1.902 247 A HA -0.280 4.052 4.320 0.020 0.000 0.217 247 A C 1.557 179.149 177.584 0.014 0.000 1.181 247 A CA 2.573 54.621 52.037 0.019 0.000 0.623 247 A CB -0.204 18.807 19.000 0.018 0.000 0.818 247 A HN -0.038 8.055 8.150 0.025 0.072 0.443 248 S N -1.628 114.079 115.700 0.012 0.000 2.382 248 S HA -0.251 4.224 4.470 0.008 0.000 0.228 248 S C 1.390 175.996 174.600 0.010 0.000 1.027 248 S CA 1.555 59.761 58.200 0.009 0.000 0.991 248 S CB 0.409 63.614 63.200 0.008 0.000 0.823 248 S HN -0.338 7.980 8.310 0.013 0.000 0.469 249 E N 0.000 120.207 120.200 0.011 0.000 2.725 249 E HA 0.000 4.356 4.350 0.009 0.000 0.291 249 E CA 0.000 56.406 56.400 0.011 0.000 0.976 249 E CB 0.000 29.707 29.700 0.012 0.000 0.812 249 E HN 0.000 8.279 8.360 0.013 0.089 0.440