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 3eze_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 4.446 4.480 -0.056 0.000 0.227 1 M C 0.000 176.267 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.057 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.038 0.000 1.302 2 I N 4.051 124.578 120.570 -0.071 0.000 2.315 2 I HA 0.170 4.314 4.170 -0.043 0.000 0.291 2 I C -1.597 174.487 176.117 -0.056 0.000 1.006 2 I CA -0.016 61.250 61.300 -0.058 0.000 1.265 2 I CB 0.488 38.450 38.000 -0.063 0.000 1.387 2 I HN -0.183 7.969 8.210 -0.096 0.000 0.475 3 S N 6.890 122.566 115.700 -0.039 0.000 2.538 3 S HA 0.406 5.048 4.470 -0.038 -0.195 0.288 3 S C -0.986 173.601 174.600 -0.022 0.000 1.108 3 S CA -0.876 57.304 58.200 -0.032 0.000 0.971 3 S CB 3.258 66.442 63.200 -0.026 0.000 1.041 3 S HN 0.227 8.518 8.310 -0.032 0.000 0.483 4 G N 1.194 109.983 108.800 -0.019 0.000 3.209 4 G HA2 0.418 4.517 3.960 -0.009 0.000 0.236 4 G HA3 0.418 4.373 3.960 -0.008 0.000 0.236 4 G C -1.302 173.595 174.900 -0.006 0.000 1.329 4 G CA -1.631 43.463 45.100 -0.010 0.000 1.015 4 G HN 0.065 8.672 8.290 -0.022 -0.330 0.571 5 I N -0.894 119.675 120.570 -0.000 0.000 3.603 5 I HA -0.077 4.092 4.170 -0.001 0.000 0.297 5 I C -0.542 175.577 176.117 0.004 0.000 1.269 5 I CA 0.439 61.740 61.300 0.002 0.000 1.361 5 I CB 0.502 38.504 38.000 0.004 0.000 1.063 5 I HN 0.243 8.454 8.210 0.002 0.000 0.448 6 L N -1.251 119.975 121.223 0.006 0.000 3.121 6 L HA -0.391 4.075 4.340 0.010 -0.120 0.581 6 L C -0.810 176.070 176.870 0.016 0.000 1.002 6 L CA 0.537 55.383 54.840 0.008 0.000 1.291 6 L CB -0.210 41.850 42.059 0.002 0.000 1.409 6 L HN -0.749 7.444 8.230 0.005 0.040 0.691 7 A N 5.928 128.765 122.820 0.027 0.000 2.014 7 A HA 0.060 4.393 4.320 0.021 0.000 0.210 7 A C -0.651 176.956 177.584 0.037 0.000 1.188 7 A CA 0.518 52.574 52.037 0.032 0.000 0.731 7 A CB 1.595 20.622 19.000 0.044 0.000 0.858 7 A HN 0.578 8.749 8.150 0.034 0.000 0.464 8 S N -1.167 114.559 115.700 0.043 0.000 2.647 8 S HA 0.526 5.019 4.470 0.038 0.000 0.300 8 S C -2.749 171.864 174.600 0.021 0.000 1.129 8 S CA -2.330 55.895 58.200 0.041 0.000 1.029 8 S CB 1.777 65.018 63.200 0.068 0.000 1.007 8 S HN -0.808 7.528 8.310 0.043 0.000 0.484 9 P HA 0.363 4.958 4.420 0.001 -0.175 0.282 9 P C -0.682 176.619 177.300 0.002 0.000 1.249 9 P CA -1.345 61.759 63.100 0.006 0.000 0.806 9 P CB 0.871 32.577 31.700 0.009 0.000 0.984 10 G N 0.220 109.015 108.800 -0.008 0.000 2.351 10 G HA2 -0.032 3.929 3.960 0.003 0.000 0.279 10 G HA3 -0.032 3.921 3.960 -0.011 0.000 0.279 10 G C -3.211 171.668 174.900 -0.035 0.000 1.297 10 G CA -0.125 44.968 45.100 -0.011 0.000 0.886 10 G HN -0.587 7.696 8.290 -0.012 0.000 0.493 11 I N -1.422 119.121 120.570 -0.047 0.000 2.913 11 I HA 0.548 4.809 4.170 -0.173 -0.195 0.302 11 I C -1.433 174.573 176.117 -0.184 0.000 1.246 11 I CA -1.383 59.837 61.300 -0.133 0.000 1.010 11 I CB 4.326 42.279 38.000 -0.078 0.000 1.259 11 I HN 0.018 8.216 8.210 -0.021 0.000 0.434 12 A N 3.548 126.108 122.820 -0.433 0.000 2.594 12 A HA 0.434 4.743 4.320 -0.019 0.000 0.295 12 A C -2.707 174.490 177.584 -0.645 0.000 1.071 12 A CA -0.426 51.423 52.037 -0.313 0.000 0.685 12 A CB 3.192 22.084 19.000 -0.181 0.000 1.285 12 A HN 0.284 8.089 8.150 -0.575 0.000 0.405 13 F N -0.482 119.423 119.950 -0.075 0.000 2.539 13 F HA 0.760 5.183 4.527 -0.174 0.000 0.318 13 F C 0.397 176.064 175.800 -0.222 0.000 1.135 13 F CA -1.616 56.312 58.000 -0.120 0.000 0.915 13 F CB 2.978 42.002 39.000 0.040 0.000 1.176 13 F HN 0.096 8.600 8.300 0.340 0.000 0.440 14 G N 1.659 110.245 108.800 -0.356 0.000 2.349 14 G HA2 0.192 4.059 3.960 -0.155 0.000 0.294 14 G HA3 0.192 4.064 3.960 -0.147 0.000 0.294 14 G C -2.777 171.864 174.900 -0.431 0.000 1.380 14 G CA 0.430 45.356 45.100 -0.289 0.000 0.811 14 G HN -0.020 7.895 8.290 -0.625 0.000 0.519 15 K N -0.852 119.441 120.400 -0.177 0.000 2.126 15 K HA 0.510 4.921 4.320 -0.110 -0.157 0.257 15 K C -1.002 175.547 176.600 -0.084 0.000 1.007 15 K CA -0.349 55.883 56.287 -0.092 0.000 0.928 15 K CB 1.754 34.262 32.500 0.015 0.000 1.013 15 K HN 0.278 8.477 8.250 -0.085 0.000 0.473 16 A N 0.666 123.457 122.820 -0.047 0.000 2.276 16 A HA 0.271 4.563 4.320 -0.047 0.000 0.316 16 A C -2.531 175.051 177.584 -0.003 0.000 1.229 16 A CA -1.341 50.677 52.037 -0.032 0.000 0.851 16 A CB 1.545 20.530 19.000 -0.025 0.000 1.165 16 A HN 0.714 8.754 8.150 -0.021 0.098 0.513 17 L N 3.419 124.644 121.223 0.004 0.000 2.307 17 L HA 0.537 4.888 4.340 0.019 0.000 0.282 17 L C -2.286 174.598 176.870 0.022 0.000 1.051 17 L CA -0.847 54.004 54.840 0.018 0.000 0.804 17 L CB 3.097 45.172 42.059 0.027 0.000 1.197 17 L HN 0.366 8.595 8.230 -0.002 0.000 0.431 18 L N 5.169 126.406 121.223 0.023 0.000 2.325 18 L HA 0.471 4.991 4.340 0.023 -0.166 0.281 18 L C -1.073 175.811 176.870 0.024 0.000 1.004 18 L CA -1.320 53.534 54.840 0.022 0.000 0.823 18 L CB 2.252 44.322 42.059 0.018 0.000 1.236 18 L HN 0.132 8.375 8.230 0.022 0.000 0.415 19 L N 6.956 128.194 121.223 0.026 0.000 2.312 19 L HA 0.101 4.456 4.340 0.025 0.000 0.287 19 L C -0.498 176.383 176.870 0.018 0.000 1.091 19 L CA -0.361 54.493 54.840 0.024 0.000 0.846 19 L CB -1.074 41.002 42.059 0.028 0.000 1.219 19 L HN -0.092 8.154 8.230 0.027 0.000 0.439 20 K N 5.133 125.542 120.400 0.016 0.000 2.211 20 K HA 0.181 4.507 4.320 0.011 0.000 0.275 20 K C -0.898 175.708 176.600 0.010 0.000 1.024 20 K CA -0.449 55.845 56.287 0.012 0.000 0.887 20 K CB 0.941 33.448 32.500 0.011 0.000 1.084 20 K HN 0.143 8.403 8.250 0.017 0.000 0.463 21 E N 2.944 123.149 120.200 0.007 0.000 2.256 21 E HA 0.157 4.510 4.350 0.005 0.000 0.268 21 E C -1.260 175.340 176.600 0.001 0.000 0.877 21 E CA -0.641 55.762 56.400 0.004 0.000 0.757 21 E CB 1.849 31.551 29.700 0.004 0.000 1.183 21 E HN 0.140 8.504 8.360 0.006 0.000 0.418 22 D N 3.083 123.482 120.400 -0.001 0.000 2.372 22 D HA 0.078 4.716 4.640 -0.003 0.000 0.243 22 D C -0.477 175.818 176.300 -0.008 0.000 1.121 22 D CA 0.126 54.123 54.000 -0.004 0.000 0.898 22 D CB 1.046 41.843 40.800 -0.004 0.000 1.202 22 D HN 0.044 8.413 8.370 -0.000 0.000 0.428 23 E N 1.164 121.357 120.200 -0.011 0.000 2.392 23 E HA -0.117 4.222 4.350 -0.017 0.000 0.264 23 E C 0.035 176.621 176.600 -0.023 0.000 1.024 23 E CA -0.128 56.262 56.400 -0.017 0.000 0.903 23 E CB 0.855 30.545 29.700 -0.017 0.000 0.963 23 E HN 0.030 8.384 8.360 -0.009 0.000 0.432 24 I N 5.188 125.738 120.570 -0.033 0.000 2.496 24 I HA -0.099 4.053 4.170 -0.030 0.000 0.285 24 I C -0.298 175.790 176.117 -0.049 0.000 1.080 24 I CA -0.133 61.142 61.300 -0.041 0.000 1.404 24 I CB 0.358 38.325 38.000 -0.056 0.000 1.403 24 I HN 0.031 8.219 8.210 -0.036 0.000 0.539 25 V N 7.642 127.534 119.914 -0.038 0.000 2.407 25 V HA 0.077 4.173 4.120 -0.039 0.000 0.278 25 V C -0.886 175.184 176.094 -0.040 0.000 1.037 25 V CA -0.477 61.801 62.300 -0.035 0.000 0.900 25 V CB 0.883 32.693 31.823 -0.021 0.000 0.983 25 V HN 0.166 8.338 8.190 -0.030 0.000 0.459 26 I N 7.357 127.898 120.570 -0.048 0.000 2.412 26 I HA 0.065 4.212 4.170 -0.039 0.000 0.296 26 I C -1.290 174.815 176.117 -0.020 0.000 0.987 26 I CA -0.913 60.360 61.300 -0.044 0.000 1.180 26 I CB 1.641 39.595 38.000 -0.076 0.000 1.340 26 I HN 0.164 8.344 8.210 -0.049 0.000 0.455 27 D N 6.619 127.015 120.400 -0.006 0.000 2.313 27 D HA 0.143 4.783 4.640 -0.001 0.000 0.239 27 D C 0.168 176.473 176.300 0.008 0.000 1.142 27 D CA -0.565 53.437 54.000 0.002 0.000 0.847 27 D CB 0.795 41.600 40.800 0.008 0.000 1.082 27 D HN 0.230 8.599 8.370 -0.003 0.000 0.480 28 R N 2.571 123.075 120.500 0.007 0.000 2.310 28 R HA -0.032 4.317 4.340 0.016 0.000 0.202 28 R C -0.410 175.899 176.300 0.014 0.000 0.933 28 R CA -1.122 54.985 56.100 0.012 0.000 1.054 28 R CB -0.303 30.002 30.300 0.009 0.000 0.985 28 R HN 0.312 8.584 8.270 0.003 0.000 0.489 29 K N 1.112 121.519 120.400 0.013 0.000 2.401 29 K HA -0.072 4.255 4.320 0.011 0.000 0.278 29 K C -0.361 176.251 176.600 0.021 0.000 1.018 29 K CA 0.085 56.380 56.287 0.013 0.000 0.981 29 K CB 0.469 32.975 32.500 0.011 0.000 0.933 29 K HN -0.492 7.690 8.250 0.011 0.075 0.477 30 K N 2.163 122.576 120.400 0.021 0.000 2.154 30 K HA -0.047 4.300 4.320 0.045 0.000 0.264 30 K C 0.411 177.031 176.600 0.033 0.000 1.008 30 K CA -0.582 55.725 56.287 0.034 0.000 0.937 30 K CB 0.824 33.342 32.500 0.030 0.000 1.002 30 K HN -0.045 8.214 8.250 0.014 0.000 0.469 31 I N -1.516 119.088 120.570 0.056 0.000 2.797 31 I HA 0.445 4.764 4.170 0.033 -0.130 0.310 31 I C -0.868 175.276 176.117 0.045 0.000 0.990 31 I CA -1.461 59.870 61.300 0.051 0.000 1.228 31 I CB 1.767 39.806 38.000 0.065 0.000 1.406 31 I HN -0.141 8.118 8.210 0.080 0.000 0.534 32 S N 0.672 116.389 115.700 0.028 0.000 2.730 32 S HA 0.198 4.636 4.470 -0.053 0.000 0.284 32 S C 0.552 175.180 174.600 0.047 0.000 1.153 32 S CA -1.409 56.790 58.200 -0.001 0.000 0.995 32 S CB 2.431 65.625 63.200 -0.009 0.000 1.058 32 S HN 0.007 8.623 8.310 0.029 -0.288 0.552 33 A N 0.946 123.784 122.820 0.029 0.000 1.883 33 A HA -0.258 4.167 4.320 0.175 0.000 0.217 33 A C 2.325 179.944 177.584 0.058 0.000 1.186 33 A CA 3.057 55.145 52.037 0.084 0.000 0.624 33 A CB -1.063 17.968 19.000 0.052 0.000 0.822 33 A HN 0.551 8.686 8.150 -0.025 0.000 0.444 34 D N -2.619 117.801 120.400 0.033 0.000 2.182 34 D HA -0.269 4.387 4.640 0.026 0.000 0.201 34 D C 1.919 178.238 176.300 0.031 0.000 0.986 34 D CA 3.048 57.064 54.000 0.027 0.000 0.847 34 D CB -0.897 39.913 40.800 0.017 0.000 0.942 34 D HN 0.369 8.751 8.370 0.021 0.000 0.467 35 Q N -1.849 117.973 119.800 0.037 0.000 2.451 35 Q HA -0.094 4.265 4.340 0.032 0.000 0.206 35 Q C 2.139 178.167 176.000 0.046 0.000 0.947 35 Q CA 1.547 57.373 55.803 0.039 0.000 0.937 35 Q CB 0.062 28.823 28.738 0.038 0.000 1.025 35 Q HN -0.731 7.426 8.270 0.038 0.136 0.511 36 V N 2.213 122.161 119.914 0.056 0.000 2.261 36 V HA -0.525 3.618 4.120 0.040 0.000 0.246 36 V C 1.457 177.567 176.094 0.026 0.000 1.047 36 V CA 4.962 67.288 62.300 0.044 0.000 1.015 36 V CB -0.228 31.627 31.823 0.053 0.000 0.642 36 V HN 0.333 8.359 8.190 0.065 0.203 0.446 37 D N -1.488 118.928 120.400 0.027 0.000 2.117 37 D HA -0.306 4.345 4.640 0.018 0.000 0.197 37 D C 2.760 179.079 176.300 0.031 0.000 0.987 37 D CA 3.623 57.637 54.000 0.024 0.000 0.829 37 D CB -0.578 40.235 40.800 0.022 0.000 0.961 37 D HN -0.463 7.926 8.370 0.032 0.000 0.460 38 Q N -0.878 118.941 119.800 0.033 0.000 2.079 38 Q HA -0.278 4.083 4.340 0.035 0.000 0.200 38 Q C 2.629 178.657 176.000 0.047 0.000 0.974 38 Q CA 3.101 58.926 55.803 0.036 0.000 0.840 38 Q CB 0.078 28.835 28.738 0.031 0.000 0.898 38 Q HN -0.648 7.634 8.270 0.032 0.007 0.430 39 E N -0.190 120.039 120.200 0.048 0.000 2.072 39 E HA -0.256 4.135 4.350 0.068 0.000 0.191 39 E C 2.565 179.218 176.600 0.089 0.000 0.985 39 E CA 2.934 59.371 56.400 0.063 0.000 0.801 39 E CB -0.273 29.456 29.700 0.049 0.000 0.750 39 E HN 0.112 8.387 8.360 0.041 0.109 0.452 40 V N 0.156 120.108 119.914 0.063 0.000 2.287 40 V HA -0.491 3.673 4.120 0.073 0.000 0.248 40 V C 1.992 178.174 176.094 0.146 0.000 1.053 40 V CA 4.777 67.125 62.300 0.080 0.000 1.027 40 V CB -0.415 31.424 31.823 0.026 0.000 0.646 40 V HN -0.145 8.069 8.190 0.040 0.000 0.447 41 E N -0.499 119.758 120.200 0.096 0.000 2.077 41 E HA -0.370 4.034 4.350 0.090 0.000 0.193 41 E C 2.214 178.868 176.600 0.089 0.000 0.989 41 E CA 3.149 59.600 56.400 0.085 0.000 0.800 41 E CB -0.429 29.302 29.700 0.052 0.000 0.746 41 E HN -0.513 7.889 8.360 0.070 0.000 0.452 42 R N -1.022 119.532 120.500 0.091 0.000 2.081 42 R HA -0.332 4.031 4.340 0.040 0.000 0.235 42 R C 2.393 178.745 176.300 0.086 0.000 1.131 42 R CA 3.414 59.556 56.100 0.071 0.000 0.960 42 R CB -0.235 30.107 30.300 0.070 0.000 0.856 42 R HN -0.229 8.014 8.270 0.088 0.080 0.436 43 F N 1.642 121.595 119.950 0.006 0.000 2.102 43 F HA -0.375 4.157 4.527 0.007 0.000 0.298 43 F C 1.430 177.233 175.800 0.006 0.000 1.105 43 F CA 3.795 61.799 58.000 0.006 0.000 1.239 43 F CB 0.051 39.054 39.000 0.005 0.000 0.991 43 F HN 0.135 8.527 8.300 0.277 0.074 0.474 44 L N -0.478 120.856 121.223 0.185 0.000 2.017 44 L HA -0.441 3.923 4.340 0.039 0.000 0.208 44 L C 1.916 178.749 176.870 -0.061 0.000 1.073 44 L CA 3.324 58.201 54.840 0.062 0.000 0.745 44 L CB -0.548 41.587 42.059 0.127 0.000 0.894 44 L HN 0.481 8.798 8.230 0.323 0.106 0.432 45 S N -1.088 114.594 115.700 -0.030 0.000 2.368 45 S HA -0.317 4.132 4.470 -0.034 0.000 0.225 45 S C 2.325 176.872 174.600 -0.090 0.000 1.030 45 S CA 3.881 62.056 58.200 -0.043 0.000 0.999 45 S CB -0.306 62.886 63.200 -0.014 0.000 0.844 45 S HN 0.702 8.900 8.310 0.015 0.121 0.459 46 G N 0.879 109.603 108.800 -0.128 0.000 2.421 46 G HA2 -0.327 3.571 3.960 -0.103 0.000 0.216 46 G HA3 -0.327 3.530 3.960 -0.172 0.000 0.216 46 G C 0.709 175.471 174.900 -0.230 0.000 1.171 46 G CA 1.811 46.816 45.100 -0.159 0.000 0.775 46 G HN 0.586 8.687 8.290 -0.108 0.124 0.543 47 R N 1.616 121.884 120.500 -0.387 0.000 2.092 47 R HA -0.319 3.824 4.340 -0.329 0.000 0.231 47 R C 1.963 178.156 176.300 -0.179 0.000 1.119 47 R CA 2.779 58.658 56.100 -0.368 0.000 0.970 47 R CB -0.025 29.937 30.300 -0.563 0.000 0.864 47 R HN 0.491 8.345 8.270 -0.493 0.120 0.440 48 A N -1.397 121.342 122.820 -0.135 0.000 1.917 48 A HA -0.357 3.931 4.320 -0.054 0.000 0.219 48 A C 1.400 178.949 177.584 -0.059 0.000 1.182 48 A CA 3.210 55.206 52.037 -0.069 0.000 0.633 48 A CB -1.056 17.917 19.000 -0.046 0.000 0.819 48 A HN 0.584 8.435 8.150 -0.155 0.206 0.448 49 K N -1.090 119.269 120.400 -0.068 0.000 1.963 49 K HA -0.318 3.980 4.320 -0.036 0.000 0.216 49 K C 1.909 178.482 176.600 -0.045 0.000 1.045 49 K CA 2.771 59.029 56.287 -0.049 0.000 0.954 49 K CB -0.114 32.356 32.500 -0.050 0.000 0.732 49 K HN -0.585 7.516 8.250 -0.086 0.098 0.442 50 A N -0.775 122.011 122.820 -0.058 0.000 1.985 50 A HA -0.356 3.993 4.320 -0.024 -0.043 0.223 50 A C 2.346 179.915 177.584 -0.025 0.000 1.189 50 A CA 2.927 54.940 52.037 -0.040 0.000 0.658 50 A CB -1.197 17.768 19.000 -0.059 0.000 0.820 50 A HN -0.419 7.687 8.150 -0.075 0.000 0.464 51 S N -1.148 114.531 115.700 -0.036 0.000 2.351 51 S HA -0.472 3.995 4.470 -0.005 0.000 0.220 51 S C 1.946 176.543 174.600 -0.006 0.000 1.035 51 S CA 3.981 62.171 58.200 -0.016 0.000 1.031 51 S CB -0.224 62.964 63.200 -0.021 0.000 0.928 51 S HN 0.195 8.449 8.310 -0.057 0.021 0.433 52 A N 0.001 122.814 122.820 -0.012 0.000 1.898 52 A HA -0.183 4.134 4.320 -0.006 0.000 0.216 52 A C 2.330 179.909 177.584 -0.009 0.000 1.181 52 A CA 2.794 54.825 52.037 -0.009 0.000 0.620 52 A CB -0.772 18.221 19.000 -0.012 0.000 0.819 52 A HN -0.363 7.775 8.150 -0.020 0.000 0.442 53 Q N -1.148 118.646 119.800 -0.010 0.000 2.079 53 Q HA -0.310 4.023 4.340 -0.011 0.000 0.200 53 Q C 2.713 178.713 176.000 0.000 0.000 0.974 53 Q CA 3.051 58.850 55.803 -0.007 0.000 0.840 53 Q CB 0.106 28.840 28.738 -0.007 0.000 0.898 53 Q HN -0.276 7.986 8.270 -0.014 0.000 0.430 54 L N -1.211 120.021 121.223 0.015 0.000 2.083 54 L HA -0.457 3.918 4.340 0.058 0.000 0.209 54 L C 1.943 178.827 176.870 0.024 0.000 1.083 54 L CA 3.535 58.403 54.840 0.046 0.000 0.752 54 L CB -0.413 41.690 42.059 0.074 0.000 0.899 54 L HN 0.598 8.715 8.230 0.010 0.120 0.433 55 E N -1.564 118.643 120.200 0.011 0.000 2.110 55 E HA -0.324 4.030 4.350 0.007 0.000 0.193 55 E C 2.643 179.221 176.600 -0.037 0.000 0.988 55 E CA 3.147 59.544 56.400 -0.004 0.000 0.804 55 E CB -0.690 29.009 29.700 -0.001 0.000 0.745 55 E HN -0.590 7.777 8.360 0.012 0.000 0.458 56 T N 1.914 116.446 114.554 -0.037 0.000 2.777 56 T HA -0.215 4.106 4.350 -0.047 0.000 0.266 56 T C 1.903 176.547 174.700 -0.095 0.000 1.040 56 T CA 4.247 66.316 62.100 -0.052 0.000 1.141 56 T CB -0.536 68.311 68.868 -0.035 0.000 0.868 56 T HN -0.591 7.533 8.240 -0.023 0.101 0.444 57 I N 1.067 121.568 120.570 -0.115 0.000 2.286 57 I HA -0.562 3.501 4.170 -0.179 0.000 0.248 57 I C 1.083 176.934 176.117 -0.443 0.000 1.115 57 I CA 4.022 65.186 61.300 -0.226 0.000 1.392 57 I CB -0.492 37.404 38.000 -0.173 0.000 1.065 57 I HN -0.523 7.566 8.210 -0.072 0.077 0.418 58 K N 0.511 120.685 120.400 -0.376 0.000 2.009 58 K HA -0.444 3.419 4.320 -0.761 0.000 0.210 58 K C 2.147 178.603 176.600 -0.240 0.000 1.049 58 K CA 4.243 60.297 56.287 -0.388 0.000 0.929 58 K CB -0.174 32.267 32.500 -0.099 0.000 0.714 58 K HN -0.227 7.809 8.250 -0.210 0.087 0.440 59 T N 0.783 115.252 114.554 -0.141 0.000 2.803 59 T HA -0.316 3.998 4.350 -0.060 0.000 0.269 59 T C 2.099 176.747 174.700 -0.086 0.000 1.052 59 T CA 4.648 66.698 62.100 -0.083 0.000 1.136 59 T CB -0.535 68.299 68.868 -0.056 0.000 0.864 59 T HN -0.475 7.691 8.240 -0.123 0.000 0.467 60 K N 1.247 121.576 120.400 -0.118 0.000 2.097 60 K HA -0.281 4.009 4.320 -0.051 0.000 0.205 60 K C 2.003 178.576 176.600 -0.045 0.000 1.050 60 K CA 3.425 59.665 56.287 -0.079 0.000 0.938 60 K CB -0.337 32.114 32.500 -0.083 0.000 0.718 60 K HN -0.581 7.463 8.250 -0.155 0.113 0.442 61 A N -0.911 121.832 122.820 -0.128 0.000 1.902 61 A HA -0.190 4.297 4.320 0.278 0.000 0.217 61 A C 2.146 179.802 177.584 0.121 0.000 1.181 61 A CA 2.965 55.017 52.037 0.025 0.000 0.623 61 A CB -0.708 18.123 19.000 -0.282 0.000 0.818 61 A HN -0.149 7.741 8.150 -0.285 0.089 0.443 62 G N -1.533 107.283 108.800 0.026 0.000 2.453 62 G HA2 -0.389 3.794 3.960 0.083 0.000 0.215 62 G HA3 -0.389 3.721 3.960 0.021 -0.137 0.215 62 G C 1.615 176.538 174.900 0.039 0.000 1.201 62 G CA 1.752 46.881 45.100 0.048 0.000 0.784 62 G HN -0.159 8.105 8.290 -0.045 0.000 0.545 63 E N 0.968 121.171 120.200 0.006 0.000 2.058 63 E HA -0.309 4.035 4.350 -0.010 0.000 0.194 63 E C 2.379 178.958 176.600 -0.035 0.000 0.997 63 E CA 2.531 58.923 56.400 -0.013 0.000 0.801 63 E CB 0.110 29.796 29.700 -0.024 0.000 0.746 63 E HN -0.444 7.912 8.360 -0.007 0.000 0.450 64 T N -0.847 113.682 114.554 -0.042 0.000 2.668 64 T HA -0.237 3.994 4.350 -0.199 0.000 0.262 64 T C 1.067 175.576 174.700 -0.317 0.000 1.045 64 T CA 3.438 65.429 62.100 -0.182 0.000 1.152 64 T CB 0.305 69.083 68.868 -0.150 0.000 0.864 64 T HN -0.099 8.028 8.240 -0.007 0.109 0.419 65 F N -2.171 117.782 119.950 0.006 0.000 2.298 65 F HA 0.093 4.637 4.527 0.028 0.000 0.282 65 F C 0.935 176.748 175.800 0.022 0.000 1.045 65 F CA 1.364 59.378 58.000 0.024 0.000 1.280 65 F CB 1.901 40.927 39.000 0.043 0.000 1.114 65 F HN 0.056 8.404 8.300 0.284 0.122 0.546 66 G N -2.620 106.311 108.800 0.218 0.000 2.357 66 G HA2 -0.062 4.066 3.960 0.078 0.000 0.289 66 G HA3 -0.062 3.964 3.960 0.111 0.000 0.289 66 G C -1.716 173.248 174.900 0.106 0.000 1.302 66 G CA -0.394 44.778 45.100 0.119 0.000 0.936 66 G HN -0.497 7.843 8.290 0.257 0.104 0.513 67 E N 1.760 122.003 120.200 0.072 0.000 2.208 67 E HA -0.375 4.008 4.350 0.055 0.000 0.193 67 E C 1.176 177.811 176.600 0.058 0.000 0.988 67 E CA 2.324 58.757 56.400 0.056 0.000 0.828 67 E CB -0.012 29.711 29.700 0.039 0.000 0.763 67 E HN 0.402 8.799 8.360 0.062 0.000 0.478 68 E N -1.095 119.145 120.200 0.067 0.000 2.110 68 E HA -0.259 4.114 4.350 0.038 0.000 0.193 68 E C 1.294 177.921 176.600 0.044 0.000 0.988 68 E CA 2.516 58.949 56.400 0.054 0.000 0.804 68 E CB -0.401 29.339 29.700 0.067 0.000 0.745 68 E HN 0.406 8.782 8.360 0.077 0.030 0.458 69 K N -3.788 116.657 120.400 0.075 0.000 2.348 69 K HA 0.112 4.419 4.320 -0.022 0.000 0.194 69 K C 1.659 178.355 176.600 0.160 0.000 1.052 69 K CA 0.634 56.954 56.287 0.054 0.000 1.004 69 K CB 0.347 32.855 32.500 0.013 0.000 0.873 69 K HN -0.692 7.610 8.250 0.113 0.016 0.523 70 E N 1.123 121.415 120.200 0.152 0.000 2.077 70 E HA -0.328 4.158 4.350 0.228 0.000 0.193 70 E C 1.694 178.382 176.600 0.146 0.000 0.989 70 E CA 3.119 59.619 56.400 0.167 0.000 0.800 70 E CB 0.035 29.782 29.700 0.079 0.000 0.746 70 E HN -0.264 8.088 8.360 0.121 0.080 0.452 71 A N -1.481 121.375 122.820 0.060 0.000 2.019 71 A HA -0.173 4.158 4.320 0.017 0.000 0.219 71 A C 1.810 179.349 177.584 -0.076 0.000 1.164 71 A CA 2.898 54.938 52.037 0.004 0.000 0.644 71 A CB -0.549 18.445 19.000 -0.010 0.000 0.805 71 A HN -0.590 7.592 8.150 0.053 0.000 0.449 72 I N -2.535 117.950 120.570 -0.140 0.000 2.226 72 I HA -0.493 3.427 4.170 -0.416 0.000 0.245 72 I C 1.592 177.305 176.117 -0.674 0.000 1.100 72 I CA 3.462 64.499 61.300 -0.439 0.000 1.374 72 I CB -0.238 37.453 38.000 -0.515 0.000 1.057 72 I HN -0.862 7.186 8.210 -0.062 0.125 0.413 73 F N -0.723 119.040 119.950 -0.313 0.000 2.186 73 F HA -0.295 4.106 4.527 -0.209 0.000 0.299 73 F C 2.393 178.118 175.800 -0.126 0.000 1.090 73 F CA 3.651 61.533 58.000 -0.196 0.000 1.307 73 F CB -0.320 38.633 39.000 -0.078 0.000 1.019 73 F HN -0.855 7.417 8.300 0.104 0.091 0.489 74 E N 0.741 120.983 120.200 0.070 0.000 2.085 74 E HA -0.467 3.925 4.350 0.070 0.000 0.194 74 E C 2.394 178.991 176.600 -0.005 0.000 0.994 74 E CA 3.256 59.679 56.400 0.038 0.000 0.801 74 E CB -0.386 29.329 29.700 0.024 0.000 0.743 74 E HN -0.426 7.899 8.360 0.083 0.084 0.453 75 G N -1.813 106.935 108.800 -0.086 0.000 2.421 75 G HA2 -0.315 3.631 3.960 -0.023 0.000 0.216 75 G HA3 -0.315 3.575 3.960 -0.116 0.000 0.216 75 G C 1.321 176.233 174.900 0.021 0.000 1.171 75 G CA 2.152 47.212 45.100 -0.065 0.000 0.775 75 G HN -0.117 8.077 8.290 -0.147 0.008 0.543 76 H N 3.251 122.281 119.070 -0.068 0.000 2.353 76 H HA -0.353 4.157 4.556 -0.076 0.000 0.300 76 H C 2.781 178.100 175.328 -0.015 0.000 1.090 76 H CA 2.525 58.531 56.048 -0.069 0.000 1.327 76 H CB 0.191 29.877 29.762 -0.126 0.000 1.383 76 H HN -0.528 7.567 8.280 -0.308 0.000 0.508 77 I N -0.328 120.330 120.570 0.147 0.000 2.202 77 I HA -0.541 3.685 4.170 0.094 0.000 0.242 77 I C 1.444 177.600 176.117 0.065 0.000 1.091 77 I CA 3.918 65.276 61.300 0.098 0.000 1.368 77 I CB 0.155 38.211 38.000 0.093 0.000 1.058 77 I HN 0.382 8.674 8.210 0.138 0.000 0.410 78 M N 0.641 120.273 119.600 0.053 0.000 2.117 78 M HA -0.418 4.082 4.480 0.034 0.000 0.262 78 M C 1.897 178.220 176.300 0.037 0.000 1.065 78 M CA 3.723 59.045 55.300 0.037 0.000 1.114 78 M CB 0.386 33.000 32.600 0.024 0.000 1.361 78 M HN 0.207 8.411 8.290 0.052 0.118 0.408 79 L N -2.054 119.195 121.223 0.043 0.000 2.046 79 L HA -0.246 4.109 4.340 0.025 0.000 0.208 79 L C 2.425 179.316 176.870 0.035 0.000 1.077 79 L CA 2.796 57.657 54.840 0.034 0.000 0.747 79 L CB -0.349 41.733 42.059 0.038 0.000 0.896 79 L HN 0.131 8.281 8.230 0.054 0.112 0.432 80 L N -0.845 120.404 121.223 0.043 0.000 2.093 80 L HA -0.326 4.041 4.340 0.045 0.000 0.208 80 L C 1.469 178.374 176.870 0.059 0.000 1.085 80 L CA 2.896 57.765 54.840 0.047 0.000 0.755 80 L CB 0.042 42.126 42.059 0.043 0.000 0.904 80 L HN -0.475 7.695 8.230 0.053 0.091 0.435 81 E N -4.708 115.523 120.200 0.051 0.000 2.502 81 E HA -0.176 4.215 4.350 0.067 0.000 0.194 81 E C -0.697 175.930 176.600 0.046 0.000 1.062 81 E CA -0.171 56.261 56.400 0.053 0.000 0.867 81 E CB -0.394 29.331 29.700 0.041 0.000 0.888 81 E HN -0.677 7.630 8.360 0.046 0.080 0.510 82 D N 1.301 121.724 120.400 0.039 0.000 2.583 82 D HA -0.190 4.463 4.640 0.022 0.000 0.232 82 D C 0.890 177.206 176.300 0.026 0.000 1.128 82 D CA 0.811 54.827 54.000 0.027 0.000 0.859 82 D CB 0.959 41.771 40.800 0.019 0.000 1.169 82 D HN -0.744 7.433 8.370 0.040 0.217 0.481 83 E N 5.466 125.677 120.200 0.019 0.000 2.333 83 E HA -0.354 4.008 4.350 0.021 0.000 0.198 83 E C 1.897 178.499 176.600 0.003 0.000 1.007 83 E CA 3.046 59.455 56.400 0.014 0.000 0.845 83 E CB -0.014 29.692 29.700 0.009 0.000 0.766 83 E HN 0.410 8.779 8.360 0.016 0.000 0.507 84 E N -1.232 118.968 120.200 0.000 0.000 2.152 84 E HA -0.229 4.111 4.350 -0.016 0.000 0.192 84 E C 2.125 178.714 176.600 -0.017 0.000 0.983 84 E CA 2.550 58.943 56.400 -0.011 0.000 0.818 84 E CB -0.418 29.275 29.700 -0.011 0.000 0.758 84 E HN 0.410 9.009 8.360 0.004 -0.236 0.467 85 L N -0.993 120.229 121.223 -0.002 0.000 2.056 85 L HA -0.262 4.066 4.340 -0.019 0.000 0.207 85 L C 2.085 178.938 176.870 -0.027 0.000 1.078 85 L CA 2.846 57.685 54.840 -0.001 0.000 0.749 85 L CB -0.019 42.067 42.059 0.045 0.000 0.901 85 L HN -0.269 7.842 8.230 0.009 0.125 0.433 86 E N -0.470 119.729 120.200 -0.002 0.000 2.051 86 E HA -0.477 3.847 4.350 -0.043 0.000 0.192 86 E C 2.469 179.017 176.600 -0.087 0.000 0.991 86 E CA 3.571 59.955 56.400 -0.027 0.000 0.799 86 E CB -0.296 29.419 29.700 0.025 0.000 0.748 86 E HN -0.634 7.738 8.360 0.021 0.000 0.449 87 Q N -1.809 117.956 119.800 -0.059 0.000 2.079 87 Q HA -0.274 4.024 4.340 -0.070 0.000 0.200 87 Q C 2.838 178.785 176.000 -0.089 0.000 0.974 87 Q CA 3.083 58.846 55.803 -0.067 0.000 0.840 87 Q CB 0.200 28.912 28.738 -0.044 0.000 0.898 87 Q HN -0.549 7.700 8.270 -0.036 0.000 0.430 88 E N 0.426 120.575 120.200 -0.085 0.000 2.107 88 E HA -0.255 4.047 4.350 -0.081 0.000 0.191 88 E C 2.640 179.161 176.600 -0.132 0.000 0.982 88 E CA 2.906 59.252 56.400 -0.091 0.000 0.809 88 E CB 0.010 29.668 29.700 -0.069 0.000 0.756 88 E HN -0.324 7.994 8.360 -0.070 0.000 0.459 89 I N -0.238 120.220 120.570 -0.187 0.000 2.252 89 I HA -0.414 3.628 4.170 -0.215 0.000 0.245 89 I C 1.872 177.802 176.117 -0.312 0.000 1.102 89 I CA 4.324 65.448 61.300 -0.293 0.000 1.385 89 I CB 0.100 37.787 38.000 -0.522 0.000 1.064 89 I HN 0.027 8.133 8.210 -0.173 0.000 0.414 90 I N -0.596 119.796 120.570 -0.297 0.000 2.315 90 I HA -0.563 3.454 4.170 -0.254 0.000 0.248 90 I C 1.555 177.576 176.117 -0.159 0.000 1.117 90 I CA 3.994 65.159 61.300 -0.226 0.000 1.404 90 I CB -0.362 37.535 38.000 -0.172 0.000 1.071 90 I HN -0.548 7.492 8.210 -0.283 0.000 0.419 91 A N 0.333 123.072 122.820 -0.136 0.000 1.877 91 A HA -0.309 3.947 4.320 -0.107 0.000 0.216 91 A C 1.932 179.441 177.584 -0.126 0.000 1.186 91 A CA 3.432 55.400 52.037 -0.114 0.000 0.620 91 A CB -0.995 17.950 19.000 -0.090 0.000 0.822 91 A HN -0.046 8.022 8.150 -0.137 0.000 0.443 92 L N -2.183 118.966 121.223 -0.122 0.000 2.017 92 L HA -0.441 3.838 4.340 -0.101 0.000 0.208 92 L C 2.686 179.476 176.870 -0.132 0.000 1.073 92 L CA 3.327 58.100 54.840 -0.111 0.000 0.745 92 L CB -0.301 41.703 42.059 -0.090 0.000 0.894 92 L HN -0.674 7.481 8.230 -0.125 0.000 0.432 93 I N -0.832 119.657 120.570 -0.135 0.000 2.179 93 I HA -0.575 3.752 4.170 -0.088 -0.209 0.242 93 I C 2.153 178.159 176.117 -0.184 0.000 1.088 93 I CA 4.101 65.328 61.300 -0.122 0.000 1.357 93 I CB -0.228 37.708 38.000 -0.108 0.000 1.051 93 I HN -0.651 7.472 8.210 -0.146 0.000 0.409 94 K N -2.947 117.342 120.400 -0.185 0.000 2.057 94 K HA -0.302 3.901 4.320 -0.195 0.000 0.206 94 K C 1.490 177.864 176.600 -0.376 0.000 1.050 94 K CA 3.242 59.398 56.287 -0.218 0.000 0.935 94 K CB -0.109 32.310 32.500 -0.135 0.000 0.715 94 K HN -0.089 8.066 8.250 -0.157 0.000 0.439 95 D N -2.313 117.910 120.400 -0.294 0.000 2.144 95 D HA -0.030 4.455 4.640 -0.258 0.000 0.207 95 D C 1.172 177.258 176.300 -0.358 0.000 0.970 95 D CA 2.139 55.972 54.000 -0.277 0.000 0.853 95 D CB 0.890 41.606 40.800 -0.141 0.000 1.007 95 D HN 0.130 8.242 8.370 -0.213 0.130 0.469 96 K N -4.234 116.018 120.400 -0.248 0.000 2.404 96 K HA -0.012 4.309 4.320 0.003 0.000 0.194 96 K C -0.929 175.657 176.600 -0.023 0.000 1.023 96 K CA -0.156 56.077 56.287 -0.089 0.000 1.094 96 K CB 0.674 33.153 32.500 -0.035 0.000 0.841 96 K HN -0.127 7.880 8.250 -0.204 0.121 0.523 97 H N -5.140 113.921 119.070 -0.015 0.000 2.791 97 H HA -0.446 4.230 4.556 -0.011 -0.126 0.302 97 H C -1.084 174.240 175.328 -0.007 0.000 1.198 97 H CA 0.880 56.922 56.048 -0.010 0.000 1.145 97 H CB -3.296 26.462 29.762 -0.007 0.000 1.385 97 H HN -0.291 7.532 8.280 -0.551 0.126 0.409 98 M N -3.107 116.514 119.600 0.034 0.000 2.371 98 M HA 0.165 4.675 4.480 0.049 0.000 0.301 98 M C 0.052 176.369 176.300 0.027 0.000 1.173 98 M CA 0.534 55.853 55.300 0.032 0.000 1.020 98 M CB 2.094 34.699 32.600 0.008 0.000 1.490 98 M HN -0.977 7.281 8.290 -0.029 0.015 0.485 99 T N -3.434 111.141 114.554 0.034 0.000 2.828 99 T HA 0.055 4.429 4.350 0.040 0.000 0.290 99 T C 0.256 174.983 174.700 0.044 0.000 1.019 99 T CA -1.226 60.898 62.100 0.039 0.000 1.031 99 T CB 1.133 70.025 68.868 0.040 0.000 1.001 99 T HN -0.051 8.210 8.240 0.035 0.000 0.531 100 A N 1.351 124.212 122.820 0.067 0.000 1.930 100 A HA -0.298 4.058 4.320 0.060 0.000 0.217 100 A C 1.648 179.315 177.584 0.138 0.000 1.175 100 A CA 3.456 55.562 52.037 0.114 0.000 0.627 100 A CB -0.186 18.938 19.000 0.207 0.000 0.815 100 A HN -0.064 8.326 8.150 0.069 -0.198 0.443 101 D N -1.667 118.796 120.400 0.105 0.000 2.144 101 D HA -0.325 4.383 4.640 0.113 0.000 0.200 101 D C 1.885 178.241 176.300 0.093 0.000 0.978 101 D CA 3.409 57.463 54.000 0.090 0.000 0.833 101 D CB -0.774 40.052 40.800 0.044 0.000 0.961 101 D HN 0.245 8.666 8.370 0.085 0.000 0.470 102 A N -0.529 122.335 122.820 0.074 0.000 1.903 102 A HA -0.270 4.111 4.320 0.102 0.000 0.213 102 A C 1.379 179.019 177.584 0.094 0.000 1.185 102 A CA 2.721 54.809 52.037 0.085 0.000 0.628 102 A CB -0.357 18.674 19.000 0.052 0.000 0.830 102 A HN -0.553 7.634 8.150 0.061 0.000 0.446 103 A N -0.798 122.056 122.820 0.056 0.000 1.855 103 A HA -0.240 4.084 4.320 0.007 0.000 0.215 103 A C 1.498 179.094 177.584 0.021 0.000 1.191 103 A CA 2.752 54.798 52.037 0.014 0.000 0.613 103 A CB -0.348 18.631 19.000 -0.035 0.000 0.829 103 A HN 0.373 8.441 8.150 0.051 0.113 0.442 104 A N -2.168 120.689 122.820 0.061 0.000 1.933 104 A HA -0.417 3.922 4.320 0.033 0.000 0.218 104 A C 0.973 178.620 177.584 0.106 0.000 1.175 104 A CA 3.099 55.197 52.037 0.102 0.000 0.628 104 A CB -0.749 18.412 19.000 0.267 0.000 0.814 104 A HN 0.027 8.117 8.150 0.082 0.109 0.444 105 H N -0.572 118.520 119.070 0.038 0.000 2.353 105 H HA -0.323 4.246 4.556 0.022 0.000 0.300 105 H C 1.896 177.226 175.328 0.004 0.000 1.090 105 H CA 3.464 59.524 56.048 0.020 0.000 1.327 105 H CB 0.118 29.890 29.762 0.016 0.000 1.383 105 H HN -0.568 7.839 8.280 0.223 0.007 0.508 106 E N -0.570 119.600 120.200 -0.050 0.000 2.110 106 E HA -0.367 3.879 4.350 -0.173 0.000 0.193 106 E C 2.341 178.864 176.600 -0.129 0.000 0.988 106 E CA 2.965 59.298 56.400 -0.112 0.000 0.804 106 E CB -0.252 29.431 29.700 -0.029 0.000 0.745 106 E HN -0.580 7.818 8.360 0.073 0.006 0.458 107 V N 0.085 119.947 119.914 -0.086 0.000 2.261 107 V HA -0.441 3.636 4.120 -0.071 0.000 0.246 107 V C 1.984 178.025 176.094 -0.088 0.000 1.047 107 V CA 4.706 66.961 62.300 -0.074 0.000 1.015 107 V CB -0.298 31.495 31.823 -0.050 0.000 0.642 107 V HN -0.617 7.540 8.190 -0.055 0.000 0.446 108 I N -1.699 118.815 120.570 -0.093 0.000 2.252 108 I HA -0.464 3.664 4.170 -0.071 0.000 0.245 108 I C 2.045 178.070 176.117 -0.153 0.000 1.102 108 I CA 3.215 64.457 61.300 -0.096 0.000 1.385 108 I CB -1.243 36.718 38.000 -0.064 0.000 1.064 108 I HN -0.612 7.553 8.210 -0.075 0.000 0.414 109 E N 0.873 120.912 120.200 -0.268 0.000 2.110 109 E HA -0.466 3.748 4.350 -0.228 0.000 0.193 109 E C 2.573 179.072 176.600 -0.170 0.000 0.988 109 E CA 3.325 59.550 56.400 -0.292 0.000 0.804 109 E CB -0.244 29.124 29.700 -0.554 0.000 0.745 109 E HN 0.265 8.423 8.360 -0.337 0.000 0.458 110 G N -0.773 107.939 108.800 -0.147 0.000 2.421 110 G HA2 -0.349 3.560 3.960 -0.084 0.000 0.216 110 G HA3 -0.349 3.597 3.960 -0.083 -0.035 0.216 110 G C 1.836 176.690 174.900 -0.077 0.000 1.171 110 G CA 2.070 47.114 45.100 -0.094 0.000 0.775 110 G HN 0.397 8.386 8.290 -0.169 0.200 0.543 111 Q N 1.701 121.455 119.800 -0.077 0.000 2.016 111 Q HA -0.277 4.030 4.340 -0.055 0.000 0.200 111 Q C 2.547 178.507 176.000 -0.068 0.000 0.978 111 Q CA 2.605 58.370 55.803 -0.064 0.000 0.833 111 Q CB -0.402 28.301 28.738 -0.058 0.000 0.895 111 Q HN -0.362 7.856 8.270 -0.086 0.000 0.427 112 A N 0.298 123.071 122.820 -0.079 0.000 1.940 112 A HA -0.436 3.839 4.320 -0.075 0.000 0.219 112 A C 1.634 179.177 177.584 -0.068 0.000 1.176 112 A CA 3.271 55.262 52.037 -0.077 0.000 0.631 112 A CB -1.135 17.815 19.000 -0.084 0.000 0.814 112 A HN 0.387 8.484 8.150 -0.088 0.000 0.446 113 S N -1.422 114.237 115.700 -0.070 0.000 2.383 113 S HA -0.354 4.086 4.470 -0.049 0.000 0.229 113 S C 1.968 176.539 174.600 -0.047 0.000 1.030 113 S CA 3.330 61.496 58.200 -0.055 0.000 1.002 113 S CB -0.200 62.966 63.200 -0.057 0.000 0.829 113 S HN 0.354 8.489 8.310 -0.083 0.125 0.467 114 A N 1.402 124.193 122.820 -0.049 0.000 1.933 114 A HA -0.212 4.087 4.320 -0.036 0.000 0.218 114 A C 2.231 179.789 177.584 -0.043 0.000 1.175 114 A CA 2.746 54.758 52.037 -0.041 0.000 0.628 114 A CB -0.744 18.232 19.000 -0.040 0.000 0.814 114 A HN -0.530 7.489 8.150 -0.055 0.098 0.444 115 L N -2.983 118.209 121.223 -0.052 0.000 2.056 115 L HA -0.449 3.857 4.340 -0.057 0.000 0.207 115 L C 2.732 179.570 176.870 -0.054 0.000 1.078 115 L CA 2.687 57.491 54.840 -0.059 0.000 0.749 115 L CB -0.627 41.387 42.059 -0.075 0.000 0.901 115 L HN -0.426 7.671 8.230 -0.056 0.100 0.433 116 E N -1.692 118.479 120.200 -0.048 0.000 2.209 116 E HA -0.362 3.963 4.350 -0.042 0.000 0.196 116 E C 1.136 177.718 176.600 -0.030 0.000 0.993 116 E CA 2.681 59.058 56.400 -0.039 0.000 0.819 116 E CB -0.286 29.393 29.700 -0.034 0.000 0.745 116 E HN -0.440 7.890 8.360 -0.050 0.000 0.477 117 E N -2.798 117.384 120.200 -0.029 0.000 2.267 117 E HA -0.241 4.098 4.350 -0.019 0.000 0.197 117 E C 0.890 177.478 176.600 -0.020 0.000 0.998 117 E CA 1.008 57.395 56.400 -0.022 0.000 0.830 117 E CB -0.108 29.579 29.700 -0.022 0.000 0.751 117 E HN -0.695 7.518 8.360 -0.033 0.127 0.491 118 L N 0.534 121.742 121.223 -0.025 0.000 2.483 118 L HA -0.194 4.137 4.340 -0.014 0.000 0.276 118 L C 0.233 177.095 176.870 -0.012 0.000 1.213 118 L CA 0.490 55.318 54.840 -0.020 0.000 0.843 118 L CB 0.366 42.407 42.059 -0.031 0.000 1.107 118 L HN -0.543 7.496 8.230 -0.032 0.171 0.487 119 D N -1.092 119.307 120.400 -0.003 0.000 2.336 119 D HA 0.047 4.687 4.640 -0.001 0.000 0.228 119 D C -0.862 175.445 176.300 0.012 0.000 1.120 119 D CA 0.208 54.210 54.000 0.003 0.000 0.839 119 D CB -0.228 40.575 40.800 0.005 0.000 0.932 119 D HN -0.013 8.357 8.370 -0.000 0.000 0.509 120 D N -1.149 119.260 120.400 0.015 0.000 2.185 120 D HA 0.189 4.856 4.640 0.046 0.000 0.247 120 D C 0.282 176.601 176.300 0.032 0.000 1.027 120 D CA -1.397 52.627 54.000 0.040 0.000 0.861 120 D CB 2.183 43.026 40.800 0.071 0.000 1.202 120 D HN -0.553 7.727 8.370 0.003 0.092 0.453 121 E N 5.326 125.560 120.200 0.056 0.000 2.008 121 E HA -0.366 3.995 4.350 0.018 0.000 0.191 121 E C 1.615 178.251 176.600 0.060 0.000 0.986 121 E CA 2.931 59.358 56.400 0.046 0.000 0.807 121 E CB -0.091 29.641 29.700 0.055 0.000 0.766 121 E HN 0.437 8.839 8.360 0.070 0.000 0.450 122 Y N 0.870 121.169 120.300 -0.001 0.000 2.133 122 Y HA -0.468 4.087 4.550 0.008 0.000 0.279 122 Y C 1.485 177.389 175.900 0.007 0.000 1.209 122 Y CA 3.360 61.462 58.100 0.004 0.000 1.152 122 Y CB -0.770 37.691 38.460 0.002 0.000 0.961 122 Y HN -0.453 8.038 8.280 0.224 -0.077 0.512 123 L N -3.856 117.132 121.223 -0.392 0.000 2.179 123 L HA -0.277 3.618 4.340 -0.742 0.000 0.208 123 L C 2.033 178.761 176.870 -0.237 0.000 1.096 123 L CA 2.283 56.850 54.840 -0.455 0.000 0.779 123 L CB -0.595 41.316 42.059 -0.248 0.000 0.922 123 L HN -0.214 7.940 8.230 -0.103 0.014 0.443 124 K N 0.613 120.935 120.400 -0.130 0.000 2.057 124 K HA -0.420 3.853 4.320 -0.079 0.000 0.207 124 K C 2.230 178.783 176.600 -0.079 0.000 1.049 124 K CA 3.639 59.878 56.287 -0.080 0.000 0.931 124 K CB -0.297 32.180 32.500 -0.039 0.000 0.714 124 K HN 0.245 8.327 8.250 -0.097 0.110 0.440 125 E N -1.470 118.688 120.200 -0.070 0.000 2.077 125 E HA -0.384 3.952 4.350 -0.023 0.000 0.193 125 E C 2.520 179.079 176.600 -0.068 0.000 0.989 125 E CA 3.009 59.388 56.400 -0.036 0.000 0.800 125 E CB -0.136 29.579 29.700 0.026 0.000 0.746 125 E HN -0.037 8.282 8.360 -0.067 0.000 0.452 126 R N -1.282 119.139 120.500 -0.132 0.000 2.091 126 R HA -0.267 4.019 4.340 -0.090 0.000 0.238 126 R C 2.309 178.538 176.300 -0.118 0.000 1.136 126 R CA 3.207 59.227 56.100 -0.133 0.000 0.959 126 R CB -0.082 30.090 30.300 -0.213 0.000 0.856 126 R HN -0.752 7.397 8.270 -0.202 0.000 0.437 127 A N -2.402 120.346 122.820 -0.120 0.000 2.024 127 A HA -0.181 4.078 4.320 -0.102 0.000 0.220 127 A C 1.537 179.065 177.584 -0.094 0.000 1.164 127 A CA 2.665 54.641 52.037 -0.101 0.000 0.643 127 A CB -0.878 18.069 19.000 -0.088 0.000 0.806 127 A HN -0.078 7.907 8.150 -0.137 0.083 0.451 128 A N -2.349 120.420 122.820 -0.085 0.000 1.930 128 A HA -0.346 3.933 4.320 -0.068 0.000 0.217 128 A C 1.481 178.997 177.584 -0.114 0.000 1.175 128 A CA 2.916 54.907 52.037 -0.078 0.000 0.627 128 A CB -0.609 18.358 19.000 -0.054 0.000 0.815 128 A HN -0.180 7.751 8.150 -0.082 0.170 0.443 129 D N -0.508 119.809 120.400 -0.139 0.000 2.117 129 D HA -0.203 4.292 4.640 -0.242 0.000 0.198 129 D C 2.289 178.390 176.300 -0.333 0.000 0.982 129 D CA 3.049 56.904 54.000 -0.242 0.000 0.828 129 D CB -0.448 40.240 40.800 -0.186 0.000 0.967 129 D HN -0.552 7.655 8.370 -0.113 0.095 0.464 130 V N 0.088 119.865 119.914 -0.229 0.000 2.427 130 V HA -0.460 3.507 4.120 -0.255 0.000 0.248 130 V C 1.352 177.352 176.094 -0.156 0.000 1.051 130 V CA 4.142 66.323 62.300 -0.198 0.000 1.048 130 V CB -0.251 31.498 31.823 -0.124 0.000 0.666 130 V HN -0.476 7.612 8.190 -0.170 0.000 0.456 131 R N -0.506 119.919 120.500 -0.124 0.000 2.091 131 R HA -0.500 3.798 4.340 -0.070 0.000 0.238 131 R C 1.527 177.781 176.300 -0.077 0.000 1.136 131 R CA 3.938 59.990 56.100 -0.081 0.000 0.959 131 R CB -0.236 30.028 30.300 -0.061 0.000 0.856 131 R HN -0.388 7.808 8.270 -0.123 0.000 0.437 132 D N -1.049 119.281 120.400 -0.116 0.000 2.144 132 D HA -0.219 4.383 4.640 -0.063 0.000 0.199 132 D C 2.251 178.488 176.300 -0.105 0.000 0.984 132 D CA 3.311 57.247 54.000 -0.106 0.000 0.834 132 D CB -0.427 40.285 40.800 -0.145 0.000 0.955 132 D HN -0.497 7.695 8.370 -0.144 0.091 0.465 133 I N -1.620 118.855 120.570 -0.158 0.000 2.163 133 I HA -0.506 3.601 4.170 -0.104 0.000 0.243 133 I C 2.045 178.136 176.117 -0.044 0.000 1.085 133 I CA 3.268 64.498 61.300 -0.117 0.000 1.347 133 I CB -0.136 37.775 38.000 -0.148 0.000 1.044 133 I HN -0.893 7.083 8.210 -0.218 0.103 0.408 134 G N -2.335 106.449 108.800 -0.027 0.000 2.448 134 G HA2 -0.321 3.661 3.960 0.037 0.000 0.218 134 G HA3 -0.321 3.660 3.960 0.035 0.000 0.218 134 G C 0.495 175.430 174.900 0.058 0.000 1.135 134 G CA 1.330 46.448 45.100 0.029 0.000 0.784 134 G HN -0.560 7.699 8.290 -0.052 0.000 0.543 135 K N 2.134 122.556 120.400 0.037 0.000 2.009 135 K HA -0.380 3.981 4.320 0.068 0.000 0.210 135 K C 2.285 178.895 176.600 0.016 0.000 1.049 135 K CA 3.229 59.539 56.287 0.038 0.000 0.929 135 K CB -0.085 32.422 32.500 0.013 0.000 0.714 135 K HN -0.256 7.891 8.250 0.007 0.107 0.440 136 R N -2.111 118.390 120.500 0.002 0.000 2.148 136 R HA -0.246 4.093 4.340 -0.001 0.000 0.223 136 R C 2.260 178.557 176.300 -0.004 0.000 1.088 136 R CA 2.678 58.777 56.100 -0.001 0.000 0.985 136 R CB -0.199 30.101 30.300 -0.001 0.000 0.880 136 R HN -0.582 7.684 8.270 -0.007 0.000 0.451 137 L N 1.420 122.644 121.223 0.001 0.000 2.042 137 L HA -0.305 4.012 4.340 -0.039 0.000 0.210 137 L C 0.938 177.807 176.870 -0.002 0.000 1.076 137 L CA 3.271 58.105 54.840 -0.010 0.000 0.749 137 L CB -0.384 41.686 42.059 0.017 0.000 0.893 137 L HN -0.603 7.505 8.230 0.008 0.127 0.432 138 L N -3.177 118.061 121.223 0.024 0.000 2.083 138 L HA -0.397 3.963 4.340 0.033 0.000 0.209 138 L C 2.581 179.449 176.870 -0.003 0.000 1.083 138 L CA 3.192 58.042 54.840 0.018 0.000 0.752 138 L CB -0.813 41.250 42.059 0.006 0.000 0.899 138 L HN -0.504 7.748 8.230 0.038 0.001 0.433 139 R N -1.581 118.915 120.500 -0.008 0.000 2.092 139 R HA -0.360 3.973 4.340 -0.012 0.000 0.231 139 R C 2.529 178.819 176.300 -0.017 0.000 1.119 139 R CA 3.677 59.770 56.100 -0.011 0.000 0.970 139 R CB -0.443 29.852 30.300 -0.009 0.000 0.864 139 R HN -0.593 7.574 8.270 -0.004 0.101 0.440 140 N N -0.581 118.104 118.700 -0.025 0.000 2.166 140 N HA -0.271 4.450 4.740 -0.032 0.000 0.186 140 N C 2.495 177.976 175.510 -0.048 0.000 1.019 140 N CA 3.667 56.692 53.050 -0.040 0.000 0.856 140 N CB 0.159 38.610 38.487 -0.059 0.000 0.993 140 N HN 0.202 8.383 8.380 -0.023 0.186 0.426 141 I N -0.652 119.890 120.570 -0.047 0.000 2.286 141 I HA -0.407 3.728 4.170 -0.058 0.000 0.245 141 I C 1.662 177.770 176.117 -0.016 0.000 1.104 141 I CA 3.178 64.455 61.300 -0.038 0.000 1.397 141 I CB 0.273 38.265 38.000 -0.013 0.000 1.072 141 I HN -0.324 7.853 8.210 -0.039 0.010 0.417 142 L N -3.811 117.406 121.223 -0.010 0.000 2.156 142 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 142 L C 1.153 178.018 176.870 -0.009 0.000 1.095 142 L CA 0.972 55.808 54.840 -0.006 0.000 0.770 142 L CB 0.525 42.581 42.059 -0.006 0.000 0.914 142 L HN -0.512 7.712 8.230 -0.011 0.000 0.439 143 G N -1.329 107.463 108.800 -0.013 0.000 2.248 143 G HA2 -0.366 3.585 3.960 -0.015 0.000 0.252 143 G HA3 -0.366 3.588 3.960 -0.010 0.000 0.252 143 G C -0.321 174.574 174.900 -0.008 0.000 1.085 143 G CA 0.032 45.125 45.100 -0.012 0.000 0.845 143 G HN -0.053 8.015 8.290 -0.016 0.212 0.494 144 L N 0.086 121.304 121.223 -0.008 0.000 2.439 144 L HA 0.012 4.349 4.340 -0.005 0.000 0.269 144 L C 0.138 177.006 176.870 -0.003 0.000 1.179 144 L CA 0.305 55.142 54.840 -0.005 0.000 0.828 144 L CB 1.143 43.198 42.059 -0.006 0.000 1.106 144 L HN -0.678 7.546 8.230 -0.010 0.000 0.467 145 K N 5.053 125.452 120.400 -0.001 0.000 2.436 145 K HA -0.126 4.195 4.320 0.001 0.000 0.275 145 K C -0.450 176.152 176.600 0.003 0.000 0.999 145 K CA 0.685 56.973 56.287 0.001 0.000 0.980 145 K CB 0.313 32.815 32.500 0.002 0.000 0.919 145 K HN 0.098 8.347 8.250 -0.001 0.000 0.484 146 I N 5.458 126.031 120.570 0.005 0.000 2.406 146 I HA 0.102 4.277 4.170 0.009 0.000 0.290 146 I C -0.212 175.911 176.117 0.011 0.000 0.999 146 I CA -0.612 60.693 61.300 0.008 0.000 1.124 146 I CB 1.955 39.960 38.000 0.009 0.000 1.289 146 I HN 0.284 8.497 8.210 0.004 0.000 0.441 147 I N 5.418 125.997 120.570 0.014 0.000 2.163 147 I HA -0.285 3.894 4.170 0.015 0.000 0.243 147 I C 0.389 176.518 176.117 0.020 0.000 1.085 147 I CA 0.638 61.949 61.300 0.017 0.000 1.347 147 I CB -0.675 37.337 38.000 0.020 0.000 1.044 147 I HN 0.601 8.820 8.210 0.014 0.000 0.408 148 D N -1.833 118.580 120.400 0.022 0.000 4.693 148 D HA -0.139 4.517 4.640 0.026 0.000 0.242 148 D C 0.699 177.017 176.300 0.030 0.000 1.084 148 D CA 0.223 54.238 54.000 0.024 0.000 1.227 148 D CB -0.396 40.414 40.800 0.018 0.000 0.779 148 D HN -0.066 8.318 8.370 0.023 0.000 0.380 149 L N 2.843 124.089 121.223 0.040 0.000 2.633 149 L HA -0.226 4.141 4.340 0.046 0.000 0.235 149 L C 0.843 177.742 176.870 0.047 0.000 1.163 149 L CA 0.883 55.752 54.840 0.049 0.000 0.859 149 L CB -0.704 41.394 42.059 0.065 0.000 0.973 149 L HN 0.160 8.415 8.230 0.041 0.000 0.451 150 S N -0.958 114.765 115.700 0.037 0.000 2.527 150 S HA -0.121 4.611 4.470 0.037 -0.239 0.222 150 S C 0.629 175.244 174.600 0.024 0.000 0.985 150 S CA 0.822 59.041 58.200 0.031 0.000 0.921 150 S CB 0.303 63.517 63.200 0.022 0.000 0.772 150 S HN -0.714 7.743 8.310 0.033 -0.127 0.529 151 A N 1.096 123.930 122.820 0.024 0.000 2.346 151 A HA 0.073 4.402 4.320 0.016 0.000 0.242 151 A C -0.408 177.189 177.584 0.021 0.000 1.323 151 A CA -0.113 51.936 52.037 0.019 0.000 0.940 151 A CB -0.024 18.986 19.000 0.017 0.000 0.943 151 A HN -0.716 7.405 8.150 0.026 0.045 0.501 152 I N -0.954 119.631 120.570 0.025 0.000 2.352 152 I HA -0.084 4.101 4.170 0.024 0.000 0.290 152 I C 0.113 176.242 176.117 0.021 0.000 1.036 152 I CA -1.351 59.964 61.300 0.025 0.000 1.336 152 I CB -1.044 36.975 38.000 0.032 0.000 1.407 152 I HN -0.452 7.674 8.210 0.028 0.101 0.497 153 Q N 4.726 124.537 119.800 0.019 0.000 2.384 153 Q HA -0.027 4.322 4.340 0.014 0.000 0.207 153 Q C -0.932 175.078 176.000 0.016 0.000 0.904 153 Q CA 0.656 56.469 55.803 0.016 0.000 0.933 153 Q CB 1.307 30.054 28.738 0.014 0.000 1.077 153 Q HN 0.518 8.800 8.270 0.019 0.000 0.522 154 D N -0.870 119.542 120.400 0.019 0.000 2.527 154 D HA 0.183 4.834 4.640 0.019 0.000 0.233 154 D C -1.064 175.247 176.300 0.019 0.000 1.063 154 D CA -1.012 53.000 54.000 0.020 0.000 0.880 154 D CB 1.576 42.391 40.800 0.024 0.000 1.457 154 D HN -0.511 7.832 8.370 0.020 0.040 0.475 155 E N -0.108 120.103 120.200 0.018 0.000 2.414 155 E HA -0.015 4.510 4.350 0.009 -0.170 0.263 155 E C -0.674 175.930 176.600 0.006 0.000 1.000 155 E CA 0.647 57.053 56.400 0.011 0.000 0.914 155 E CB 0.464 30.170 29.700 0.011 0.000 0.948 155 E HN 0.251 8.622 8.360 0.020 0.000 0.444 156 V N -3.267 116.643 119.914 -0.006 0.000 3.232 156 V HA 0.441 4.544 4.120 -0.028 0.000 0.303 156 V C -2.084 173.984 176.094 -0.043 0.000 1.311 156 V CA -2.361 59.928 62.300 -0.019 0.000 1.061 156 V CB 3.300 35.124 31.823 0.001 0.000 1.085 156 V HN 0.650 8.836 8.190 -0.007 0.000 0.447 157 I N -0.832 119.701 120.570 -0.061 0.000 2.488 157 I HA 0.049 4.151 4.170 -0.114 0.000 0.299 157 I C -1.783 174.319 176.117 -0.024 0.000 0.984 157 I CA -0.808 60.444 61.300 -0.081 0.000 1.250 157 I CB 1.609 39.543 38.000 -0.111 0.000 1.389 157 I HN 0.910 8.962 8.210 -0.061 0.121 0.488 158 L N 5.747 126.975 121.223 0.008 0.000 2.265 158 L HA 0.289 4.670 4.340 0.067 0.000 0.289 158 L C -2.315 174.603 176.870 0.080 0.000 1.033 158 L CA -0.474 54.418 54.840 0.086 0.000 0.814 158 L CB 1.470 43.658 42.059 0.214 0.000 1.203 158 L HN -0.217 7.991 8.230 -0.036 0.000 0.423 159 V N 7.649 127.596 119.914 0.054 0.000 2.540 159 V HA 0.972 5.357 4.120 0.050 -0.235 0.302 159 V C -1.661 174.458 176.094 0.043 0.000 1.035 159 V CA -2.615 59.710 62.300 0.042 0.000 0.873 159 V CB 2.328 34.162 31.823 0.019 0.000 0.992 159 V HN -0.007 8.212 8.190 0.047 0.000 0.428 160 A N 4.809 127.655 122.820 0.042 0.000 2.610 160 A HA 0.503 4.839 4.320 0.028 0.000 0.291 160 A C -1.774 175.825 177.584 0.025 0.000 1.086 160 A CA -0.746 51.311 52.037 0.033 0.000 0.677 160 A CB 3.451 22.474 19.000 0.039 0.000 1.278 160 A HN 0.165 8.342 8.150 0.045 0.000 0.414 161 A N -1.319 121.512 122.820 0.018 0.000 1.929 161 A HA -0.075 4.550 4.320 0.013 -0.298 0.216 161 A C -0.931 176.661 177.584 0.013 0.000 1.176 161 A CA 1.966 54.011 52.037 0.013 0.000 0.628 161 A CB 0.204 19.209 19.000 0.009 0.000 0.816 161 A HN 0.702 8.862 8.150 0.017 0.000 0.444 162 D N -6.633 113.775 120.400 0.014 0.000 2.692 162 D HA -0.014 4.633 4.640 0.012 0.000 0.290 162 D C -1.876 174.430 176.300 0.009 0.000 1.281 162 D CA -0.738 53.268 54.000 0.010 0.000 0.804 162 D CB 1.434 42.236 40.800 0.003 0.000 1.331 162 D HN -0.612 7.756 8.370 0.015 0.011 0.432 163 L N -1.417 119.805 121.223 -0.000 0.000 2.438 163 L HA 0.336 4.678 4.340 0.003 0.000 0.270 163 L C -0.738 176.120 176.870 -0.020 0.000 0.972 163 L CA -0.747 54.089 54.840 -0.007 0.000 0.831 163 L CB 3.092 45.141 42.059 -0.018 0.000 1.273 163 L HN 0.155 8.383 8.230 -0.004 0.000 0.405 164 T N -1.082 113.462 114.554 -0.017 0.000 2.882 164 T HA 0.366 4.690 4.350 -0.044 0.000 0.287 164 T C -0.282 174.397 174.700 -0.036 0.000 0.992 164 T CA -3.010 59.070 62.100 -0.033 0.000 1.076 164 T CB 0.604 69.454 68.868 -0.030 0.000 0.961 164 T HN -0.263 7.974 8.240 -0.005 0.000 0.490 165 P HA -0.302 4.051 4.420 -0.111 0.000 0.219 165 P C 0.982 178.294 177.300 0.019 0.000 1.151 165 P CA 2.657 65.697 63.100 -0.100 0.000 0.850 165 P CB 0.075 31.656 31.700 -0.198 0.000 0.784 166 S N -2.696 113.045 115.700 0.069 0.000 2.368 166 S HA -0.391 4.449 4.470 0.617 0.000 0.225 166 S C 1.983 176.700 174.600 0.195 0.000 1.030 166 S CA 4.164 62.531 58.200 0.278 0.000 0.999 166 S CB -0.389 62.935 63.200 0.206 0.000 0.844 166 S HN -0.072 8.209 8.310 -0.003 0.028 0.459 167 E N 0.543 120.802 120.200 0.098 0.000 2.085 167 E HA -0.300 4.097 4.350 0.079 0.000 0.194 167 E C 1.977 178.627 176.600 0.083 0.000 0.994 167 E CA 2.636 59.082 56.400 0.076 0.000 0.801 167 E CB -0.068 29.660 29.700 0.046 0.000 0.743 167 E HN -0.507 7.892 8.360 0.065 0.000 0.453 168 T N -3.178 111.408 114.554 0.053 0.000 2.759 168 T HA -0.267 4.106 4.350 0.037 0.000 0.269 168 T C 1.580 176.364 174.700 0.140 0.000 1.042 168 T CA 3.397 65.513 62.100 0.027 0.000 1.140 168 T CB -0.246 68.549 68.868 -0.123 0.000 0.864 168 T HN -0.511 7.744 8.240 0.030 0.004 0.455 169 A N 2.625 125.534 122.820 0.147 0.000 1.873 169 A HA -0.164 4.344 4.320 0.313 0.000 0.215 169 A C 1.026 178.707 177.584 0.161 0.000 1.186 169 A CA 2.172 54.310 52.037 0.169 0.000 0.616 169 A CB -0.379 18.561 19.000 -0.101 0.000 0.823 169 A HN -0.664 7.489 8.150 0.189 0.110 0.442 170 Q N -3.840 116.016 119.800 0.094 0.000 2.297 170 Q HA -0.012 4.357 4.340 0.050 0.000 0.265 170 Q C -1.065 174.991 176.000 0.093 0.000 0.904 170 Q CA -0.810 55.032 55.803 0.066 0.000 0.969 170 Q CB -0.503 28.255 28.738 0.034 0.000 1.115 170 Q HN -0.527 7.801 8.270 0.096 0.000 0.433 171 L N 0.861 122.170 121.223 0.145 0.000 2.317 171 L HA 0.180 4.591 4.340 0.118 0.000 0.281 171 L C -1.463 175.490 176.870 0.137 0.000 1.024 171 L CA -0.918 54.010 54.840 0.147 0.000 0.810 171 L CB 2.205 44.369 42.059 0.175 0.000 1.240 171 L HN -0.833 7.411 8.230 0.205 0.109 0.427 172 N N 6.034 124.802 118.700 0.114 0.000 2.439 172 N HA 0.083 4.855 4.740 0.054 0.000 0.243 172 N C 0.348 175.925 175.510 0.112 0.000 1.088 172 N CA -0.225 52.874 53.050 0.082 0.000 0.940 172 N CB -0.406 38.117 38.487 0.059 0.000 1.180 172 N HN 0.551 9.000 8.380 0.114 0.000 0.505 173 L N 3.241 124.520 121.223 0.094 0.000 2.056 173 L HA -0.294 4.201 4.340 0.259 0.000 0.207 173 L C 1.526 178.440 176.870 0.072 0.000 1.078 173 L CA 3.499 58.418 54.840 0.132 0.000 0.749 173 L CB -0.179 41.913 42.059 0.056 0.000 0.901 173 L HN -0.074 8.181 8.230 0.042 0.000 0.433 174 K N -3.153 117.264 120.400 0.029 0.000 2.217 174 K HA -0.171 4.154 4.320 0.009 0.000 0.202 174 K C 0.531 177.139 176.600 0.013 0.000 1.051 174 K CA 2.202 58.496 56.287 0.012 0.000 0.952 174 K CB -0.227 32.273 32.500 0.000 0.000 0.736 174 K HN 0.157 8.416 8.250 0.015 0.000 0.453 175 K N -3.837 116.577 120.400 0.024 0.000 2.393 175 K HA 0.041 4.367 4.320 0.010 0.000 0.193 175 K C -1.366 175.243 176.600 0.014 0.000 1.026 175 K CA 0.059 56.357 56.287 0.019 0.000 1.064 175 K CB 0.437 32.952 32.500 0.025 0.000 0.833 175 K HN -0.412 7.840 8.250 0.035 0.019 0.521 176 V N 0.575 120.503 119.914 0.023 0.000 2.333 176 V HA 0.272 4.600 4.120 -0.020 -0.220 0.274 176 V C -0.136 175.873 176.094 -0.142 0.000 1.028 176 V CA -0.570 61.720 62.300 -0.017 0.000 0.851 176 V CB 0.295 32.186 31.823 0.114 0.000 1.000 176 V HN -0.702 7.349 8.190 0.046 0.167 0.456 177 L N 6.073 127.198 121.223 -0.163 0.000 2.645 177 L HA 0.023 4.273 4.340 -0.150 0.000 0.235 177 L C 0.037 176.707 176.870 -0.334 0.000 1.150 177 L CA 0.191 54.919 54.840 -0.186 0.000 0.911 177 L CB -0.399 41.596 42.059 -0.107 0.000 1.077 177 L HN 0.083 8.240 8.230 -0.120 0.000 0.438 178 G N -3.737 104.706 108.800 -0.595 0.000 2.324 178 G HA2 -0.003 3.365 3.960 -1.072 0.000 0.293 178 G HA3 -0.003 3.677 3.960 -0.467 0.000 0.293 178 G C -2.478 171.805 174.900 -1.028 0.000 1.297 178 G CA 0.286 44.883 45.100 -0.838 0.000 0.853 178 G HN -0.792 7.053 8.290 -0.588 0.093 0.535 179 F N -2.524 117.429 119.950 0.005 0.000 2.561 179 F HA 0.551 5.211 4.527 0.010 -0.127 0.313 179 F C -1.638 174.161 175.800 -0.001 0.000 1.126 179 F CA -1.239 56.767 58.000 0.010 0.000 0.918 179 F CB 3.886 42.901 39.000 0.026 0.000 1.199 179 F HN -0.511 7.589 8.300 -0.333 0.000 0.444 180 I N 2.444 123.105 120.570 0.152 0.000 2.499 180 I HA 0.768 5.172 4.170 0.076 -0.189 0.288 180 I C -1.375 174.786 176.117 0.073 0.000 1.048 180 I CA -1.140 60.207 61.300 0.078 0.000 1.062 180 I CB 3.122 41.136 38.000 0.023 0.000 1.238 180 I HN 1.038 9.344 8.210 0.160 0.000 0.426 181 T N 1.693 116.281 114.554 0.058 0.000 2.868 181 T HA 0.760 5.364 4.350 0.037 -0.232 0.306 181 T C -0.075 174.640 174.700 0.025 0.000 1.224 181 T CA -2.316 59.809 62.100 0.041 0.000 1.012 181 T CB 3.336 72.230 68.868 0.043 0.000 1.221 181 T HN 0.716 8.871 8.240 0.056 0.118 0.499 182 D N 0.143 120.553 120.400 0.017 0.000 2.525 182 D HA 0.092 4.909 4.640 0.009 -0.172 0.229 182 D C -0.350 175.955 176.300 0.008 0.000 1.202 182 D CA -1.057 52.949 54.000 0.010 0.000 0.828 182 D CB -0.559 40.244 40.800 0.006 0.000 1.008 182 D HN -0.132 8.249 8.370 0.018 0.000 0.493 183 A N 0.202 123.029 122.820 0.011 0.000 2.206 183 A HA -0.121 4.203 4.320 0.005 0.000 0.286 183 A C 1.516 179.103 177.584 0.005 0.000 1.334 183 A CA 0.760 52.801 52.037 0.007 0.000 0.843 183 A CB 0.490 19.495 19.000 0.008 0.000 1.169 183 A HN -0.523 7.552 8.150 0.015 0.084 0.511 184 G N -3.721 105.081 108.800 0.004 0.000 2.404 184 G HA2 -0.088 3.874 3.960 0.002 0.000 0.213 184 G HA3 -0.088 3.874 3.960 0.002 0.000 0.213 184 G C -0.288 174.614 174.900 0.004 0.000 1.189 184 G CA 0.905 46.007 45.100 0.003 0.000 0.796 184 G HN 0.446 8.738 8.290 0.004 0.000 0.532 185 G N -1.475 107.328 108.800 0.004 0.000 2.564 185 G HA2 -0.003 3.961 3.960 0.006 0.000 0.139 185 G HA3 -0.003 3.959 3.960 0.003 0.000 0.139 185 G C -0.089 174.812 174.900 0.002 0.000 1.147 185 G CA -0.148 44.955 45.100 0.004 0.000 1.031 185 G HN -0.653 7.640 8.290 0.005 0.000 0.482 186 R N -0.814 119.685 120.500 -0.002 0.000 2.189 186 R HA -0.177 4.155 4.340 -0.012 0.000 0.223 186 R C 0.113 176.406 176.300 -0.012 0.000 1.092 186 R CA 1.559 57.653 56.100 -0.010 0.000 0.989 186 R CB -0.091 30.201 30.300 -0.013 0.000 0.876 186 R HN 0.313 8.582 8.270 -0.001 0.000 0.457 187 T N -7.343 107.211 114.554 -0.002 0.000 3.139 187 T HA -0.222 4.234 4.350 0.009 -0.100 0.267 187 T C 0.058 174.765 174.700 0.013 0.000 1.164 187 T CA 1.224 63.328 62.100 0.007 0.000 1.075 187 T CB -0.791 68.084 68.868 0.011 0.000 0.904 187 T HN -0.419 7.783 8.240 0.000 0.038 0.540 188 S N 1.389 117.093 115.700 0.007 0.000 2.475 188 S HA -0.014 4.476 4.470 0.032 0.000 0.281 188 S C 0.266 174.882 174.600 0.027 0.000 1.198 188 S CA -0.758 57.454 58.200 0.021 0.000 1.063 188 S CB 1.153 64.359 63.200 0.011 0.000 0.972 188 S HN -0.660 7.433 8.310 -0.000 0.216 0.486 189 H N 8.828 127.882 119.070 -0.027 0.000 2.387 189 H HA -0.223 4.323 4.556 -0.017 0.000 0.299 189 H C 1.962 177.259 175.328 -0.053 0.000 1.090 189 H CA 4.018 60.046 56.048 -0.033 0.000 1.332 189 H CB 0.207 29.944 29.762 -0.042 0.000 1.386 189 H HN 0.696 9.066 8.280 0.151 0.000 0.516 190 T N -0.572 114.033 114.554 0.085 0.000 2.759 190 T HA -0.414 3.933 4.350 -0.006 0.000 0.269 190 T C 1.559 176.239 174.700 -0.033 0.000 1.042 190 T CA 4.051 66.148 62.100 -0.004 0.000 1.140 190 T CB -0.917 67.925 68.868 -0.042 0.000 0.864 190 T HN -0.266 8.014 8.240 0.086 0.011 0.455 191 S N 1.280 116.967 115.700 -0.021 0.000 2.402 191 S HA -0.316 4.154 4.470 0.001 0.000 0.233 191 S C 1.463 176.047 174.600 -0.027 0.000 1.030 191 S CA 2.879 61.069 58.200 -0.016 0.000 1.003 191 S CB -0.707 62.485 63.200 -0.013 0.000 0.813 191 S HN -0.665 7.528 8.310 -0.010 0.111 0.477 192 I N 0.290 120.820 120.570 -0.067 0.000 2.315 192 I HA -0.440 3.694 4.170 -0.060 0.000 0.248 192 I C 1.326 177.430 176.117 -0.022 0.000 1.117 192 I CA 2.960 64.213 61.300 -0.079 0.000 1.404 192 I CB -0.388 37.489 38.000 -0.206 0.000 1.071 192 I HN -0.170 7.841 8.210 -0.087 0.147 0.419 193 M N -0.485 119.104 119.600 -0.018 0.000 2.108 193 M HA -0.489 4.014 4.480 0.039 0.000 0.261 193 M C 1.880 178.202 176.300 0.036 0.000 1.066 193 M CA 4.165 59.463 55.300 -0.003 0.000 1.107 193 M CB -0.455 32.090 32.600 -0.092 0.000 1.356 193 M HN -0.189 7.955 8.290 -0.027 0.130 0.406 194 A N -1.601 121.239 122.820 0.032 0.000 1.902 194 A HA -0.399 4.107 4.320 0.310 0.000 0.217 194 A C 1.839 179.506 177.584 0.138 0.000 1.181 194 A CA 3.213 55.353 52.037 0.172 0.000 0.623 194 A CB -0.778 18.344 19.000 0.203 0.000 0.818 194 A HN -0.361 7.781 8.150 -0.013 0.000 0.443 195 R N -1.824 118.723 120.500 0.078 0.000 2.070 195 R HA -0.306 4.072 4.340 0.064 0.000 0.233 195 R C 3.012 179.351 176.300 0.065 0.000 1.137 195 R CA 2.934 59.069 56.100 0.059 0.000 0.945 195 R CB 0.081 30.397 30.300 0.027 0.000 0.845 195 R HN -0.599 7.703 8.270 0.053 0.000 0.430 196 S N -0.964 114.774 115.700 0.063 0.000 2.382 196 S HA -0.280 4.225 4.470 0.057 0.000 0.228 196 S C 1.780 176.439 174.600 0.098 0.000 1.027 196 S CA 3.410 61.654 58.200 0.073 0.000 0.991 196 S CB 0.040 63.288 63.200 0.079 0.000 0.823 196 S HN -0.316 8.025 8.310 0.051 0.000 0.469 197 L N -0.556 120.747 121.223 0.133 0.000 2.201 197 L HA -0.211 4.213 4.340 0.139 0.000 0.212 197 L C 0.069 177.014 176.870 0.125 0.000 1.105 197 L CA 1.590 56.525 54.840 0.158 0.000 0.775 197 L CB 0.505 42.715 42.059 0.251 0.000 0.913 197 L HN -0.179 8.125 8.230 0.137 0.008 0.440 198 E N -6.131 114.137 120.200 0.114 0.000 2.358 198 E HA -0.414 4.020 4.350 0.073 -0.040 0.246 198 E C -1.502 175.144 176.600 0.077 0.000 1.127 198 E CA 0.950 57.398 56.400 0.081 0.000 0.726 198 E CB -2.764 26.971 29.700 0.058 0.000 1.272 198 E HN -0.307 7.994 8.360 0.121 0.133 0.390 199 L N -2.302 118.984 121.223 0.105 0.000 2.381 199 L HA 0.455 4.803 4.340 0.014 0.000 0.268 199 L C -2.277 174.604 176.870 0.018 0.000 0.997 199 L CA -3.417 51.449 54.840 0.043 0.000 0.818 199 L CB 1.200 43.274 42.059 0.024 0.000 1.310 199 L HN -0.932 7.391 8.230 0.154 0.000 0.416 200 P HA -0.190 4.424 4.420 -0.018 -0.205 0.261 200 P C -1.548 175.729 177.300 -0.039 0.000 1.165 200 P CA 0.435 63.507 63.100 -0.047 0.000 0.759 200 P CB -0.148 31.496 31.700 -0.093 0.000 0.772 201 A N 1.910 124.743 122.820 0.023 0.000 2.582 201 A HA 0.681 5.172 4.320 0.044 -0.144 0.297 201 A C -2.376 175.247 177.584 0.065 0.000 1.059 201 A CA -0.199 51.888 52.037 0.083 0.000 0.705 201 A CB 3.930 23.086 19.000 0.259 0.000 1.279 201 A HN -0.248 7.914 8.150 0.020 0.000 0.404 202 I N 0.150 120.756 120.570 0.060 0.000 2.646 202 I HA 0.487 4.676 4.170 0.032 0.000 0.299 202 I C -0.618 175.528 176.117 0.049 0.000 1.036 202 I CA -1.084 60.239 61.300 0.037 0.000 1.074 202 I CB 3.745 41.752 38.000 0.011 0.000 1.258 202 I HN 0.400 8.653 8.210 0.072 0.000 0.430 203 V N -0.181 119.753 119.914 0.034 0.000 3.451 203 V HA 0.513 4.675 4.120 0.038 -0.020 0.288 203 V C -0.036 176.068 176.094 0.017 0.000 1.502 203 V CA -0.497 61.821 62.300 0.030 0.000 1.026 203 V CB 1.343 33.182 31.823 0.027 0.000 0.840 203 V HN 0.436 8.641 8.190 0.025 0.000 0.437 204 G N -0.143 108.664 108.800 0.011 0.000 3.690 204 G HA2 0.236 4.199 3.960 0.005 0.000 0.283 204 G HA3 0.236 4.198 3.960 0.003 0.000 0.283 204 G C 1.232 176.132 174.900 0.000 0.000 1.057 204 G CA 0.026 45.129 45.100 0.005 0.000 0.821 204 G HN -0.164 8.133 8.290 0.012 0.000 0.526 205 T N 0.628 115.183 114.554 0.001 0.000 2.685 205 T HA -0.387 3.956 4.350 -0.011 0.000 0.268 205 T C 1.418 176.115 174.700 -0.006 0.000 1.034 205 T CA 3.176 65.273 62.100 -0.005 0.000 1.149 205 T CB -0.176 68.690 68.868 -0.003 0.000 0.860 205 T HN -0.550 7.628 8.240 0.007 0.065 0.449 206 G N 1.505 110.304 108.800 -0.002 0.000 2.812 206 G HA2 -0.303 3.656 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 -0.798 174.100 174.900 -0.003 0.000 1.275 206 G CA 0.618 45.716 45.100 -0.003 0.000 0.769 206 G HN 0.412 8.696 8.290 0.001 0.006 0.527 207 S N -2.033 113.664 115.700 -0.005 0.000 2.968 207 S HA 0.040 4.510 4.470 -0.001 0.000 0.243 207 S C 0.058 174.655 174.600 -0.005 0.000 0.799 207 S CA -0.134 58.064 58.200 -0.004 0.000 1.101 207 S CB 1.246 64.444 63.200 -0.004 0.000 1.313 207 S HN -0.655 7.581 8.310 -0.007 0.070 0.521 208 V N 2.459 122.370 119.914 -0.006 0.000 2.453 208 V HA -0.265 3.848 4.120 -0.011 0.000 0.247 208 V C 1.541 177.634 176.094 -0.001 0.000 1.048 208 V CA 2.947 65.243 62.300 -0.007 0.000 1.049 208 V CB -0.162 31.654 31.823 -0.011 0.000 0.672 208 V HN -0.074 8.113 8.190 -0.004 0.000 0.457 209 T N -4.244 110.312 114.554 0.003 0.000 2.778 209 T HA -0.391 3.964 4.350 0.008 0.000 0.269 209 T C 0.979 175.682 174.700 0.006 0.000 1.050 209 T CA 3.067 65.171 62.100 0.007 0.000 1.137 209 T CB -0.661 68.213 68.868 0.010 0.000 0.860 209 T HN 0.407 8.649 8.240 0.003 0.000 0.468 210 S N -1.455 114.247 115.700 0.004 0.000 2.496 210 S HA -0.099 4.374 4.470 0.005 0.000 0.224 210 S C 0.343 174.945 174.600 0.004 0.000 0.996 210 S CA 1.394 59.596 58.200 0.004 0.000 0.927 210 S CB 0.173 63.374 63.200 0.002 0.000 0.774 210 S HN -0.685 7.501 8.310 0.002 0.125 0.524 211 Q N -1.434 118.367 119.800 0.003 0.000 2.352 211 Q HA 0.021 4.363 4.340 0.005 0.000 0.212 211 Q C -0.036 175.968 176.000 0.008 0.000 0.888 211 Q CA 0.026 55.831 55.803 0.003 0.000 0.934 211 Q CB 1.351 30.087 28.738 -0.002 0.000 1.093 211 Q HN -0.370 7.722 8.270 0.001 0.179 0.523 212 V N 0.628 120.546 119.914 0.008 0.000 2.547 212 V HA -0.001 4.129 4.120 0.016 0.000 0.299 212 V C -1.022 175.081 176.094 0.015 0.000 1.040 212 V CA -1.667 60.640 62.300 0.012 0.000 0.913 212 V CB 0.681 32.508 31.823 0.007 0.000 0.992 212 V HN -0.518 7.676 8.190 0.006 0.000 0.449 213 K N 2.529 122.941 120.400 0.020 0.000 2.258 213 K HA 0.240 4.570 4.320 0.017 0.000 0.236 213 K C -1.101 175.513 176.600 0.022 0.000 1.008 213 K CA -1.970 54.329 56.287 0.020 0.000 0.869 213 K CB 2.291 34.804 32.500 0.022 0.000 1.171 213 K HN 0.071 8.335 8.250 0.024 0.000 0.447 214 N N 1.589 120.303 118.700 0.022 0.000 2.508 214 N HA -0.218 4.713 4.740 0.021 -0.179 0.264 214 N C 0.351 175.879 175.510 0.030 0.000 1.216 214 N CA 0.867 53.931 53.050 0.023 0.000 0.943 214 N CB -0.053 38.447 38.487 0.022 0.000 1.113 214 N HN -0.041 8.351 8.380 0.020 0.000 0.447 215 D N -1.412 119.007 120.400 0.032 0.000 2.981 215 D HA -0.481 4.187 4.640 0.047 0.000 0.203 215 D C -1.214 175.125 176.300 0.066 0.000 1.049 215 D CA 1.404 55.432 54.000 0.047 0.000 1.003 215 D CB -0.257 40.570 40.800 0.044 0.000 1.085 215 D HN 0.366 8.752 8.370 0.026 0.000 0.432 216 D N -1.542 118.892 120.400 0.056 0.000 2.341 216 D HA 0.031 4.730 4.640 0.099 0.000 0.245 216 D C -1.228 175.136 176.300 0.106 0.000 1.106 216 D CA 0.436 54.485 54.000 0.081 0.000 0.905 216 D CB 1.535 42.369 40.800 0.055 0.000 1.202 216 D HN -0.736 7.593 8.370 0.039 0.063 0.426 217 Y N 3.100 123.421 120.300 0.036 0.000 2.350 217 Y HA 0.112 4.813 4.550 0.045 -0.123 0.340 217 Y C -1.792 174.139 175.900 0.053 0.000 1.006 217 Y CA 0.485 58.613 58.100 0.047 0.000 1.166 217 Y CB 0.931 39.422 38.460 0.052 0.000 1.168 217 Y HN 0.128 8.556 8.280 0.248 0.000 0.502 218 L N 6.491 127.535 121.223 -0.298 0.000 2.381 218 L HA 0.779 5.341 4.340 0.050 -0.192 0.268 218 L C -1.316 175.420 176.870 -0.223 0.000 0.997 218 L CA -1.859 52.908 54.840 -0.122 0.000 0.818 218 L CB 4.322 46.321 42.059 -0.099 0.000 1.310 218 L HN 0.245 8.144 8.230 -0.552 0.000 0.416 219 I N 0.193 120.739 120.570 -0.041 0.000 2.378 219 I HA 0.429 4.552 4.170 -0.313 -0.141 0.291 219 I C -1.566 174.469 176.117 -0.136 0.000 0.992 219 I CA -1.212 60.004 61.300 -0.139 0.000 1.154 219 I CB 2.748 40.755 38.000 0.012 0.000 1.315 219 I HN -0.138 8.121 8.210 0.081 0.000 0.448 220 L N 7.369 128.428 121.223 -0.272 0.000 2.272 220 L HA 0.428 4.704 4.340 -0.106 0.000 0.289 220 L C -1.139 175.621 176.870 -0.184 0.000 1.032 220 L CA -1.077 53.656 54.840 -0.178 0.000 0.810 220 L CB 2.745 44.697 42.059 -0.178 0.000 1.205 220 L HN 0.435 8.411 8.230 -0.422 0.000 0.422 221 D N 9.311 129.665 120.400 -0.077 0.000 2.162 221 D HA -0.128 4.468 4.640 -0.074 0.000 0.203 221 D C 0.686 176.957 176.300 -0.049 0.000 0.967 221 D CA 2.093 56.068 54.000 -0.043 0.000 0.840 221 D CB 0.192 41.017 40.800 0.040 0.000 0.972 221 D HN 0.018 8.363 8.370 -0.042 0.000 0.482 222 A N -3.059 119.733 122.820 -0.047 0.000 2.767 222 A HA -0.308 3.995 4.320 -0.028 0.000 0.282 222 A C 0.041 177.616 177.584 -0.016 0.000 1.416 222 A CA 1.829 53.846 52.037 -0.034 0.000 0.932 222 A CB -1.039 17.934 19.000 -0.045 0.000 0.979 222 A HN 0.481 8.601 8.150 -0.049 0.000 0.616 223 V N -4.263 115.646 119.914 -0.008 0.000 3.165 223 V HA -0.062 4.060 4.120 0.004 0.000 0.231 223 V C 0.506 176.606 176.094 0.010 0.000 1.365 223 V CA 1.739 64.042 62.300 0.005 0.000 1.286 223 V CB 0.769 32.599 31.823 0.011 0.000 1.081 223 V HN -0.124 7.969 8.190 -0.009 0.092 0.477 224 N N -0.615 118.094 118.700 0.015 0.000 2.236 224 N HA 0.011 4.759 4.740 0.015 0.000 0.196 224 N C -0.333 175.174 175.510 -0.004 0.000 1.114 224 N CA -0.736 52.324 53.050 0.017 0.000 0.859 224 N CB 0.153 38.666 38.487 0.044 0.000 0.982 224 N HN -0.148 8.242 8.380 0.018 0.000 0.493 225 N N -1.439 117.253 118.700 -0.013 0.000 2.758 225 N HA -0.233 4.490 4.740 -0.029 0.000 0.248 225 N C -1.896 173.581 175.510 -0.054 0.000 1.076 225 N CA 1.112 54.145 53.050 -0.029 0.000 0.696 225 N CB -0.803 37.671 38.487 -0.022 0.000 0.979 225 N HN 0.079 8.476 8.380 -0.008 -0.022 0.550 226 Q N -4.790 114.968 119.800 -0.070 0.000 2.397 226 Q HA 0.322 4.565 4.340 -0.161 0.000 0.275 226 Q C -1.600 174.288 176.000 -0.186 0.000 1.090 226 Q CA -1.235 54.471 55.803 -0.162 0.000 0.809 226 Q CB 3.976 32.578 28.738 -0.227 0.000 1.362 226 Q HN -0.337 7.909 8.270 -0.040 0.000 0.431 227 V N 1.341 121.103 119.914 -0.254 0.000 2.487 227 V HA 0.602 4.868 4.120 -0.075 -0.191 0.298 227 V C -0.510 175.425 176.094 -0.265 0.000 1.028 227 V CA -1.489 60.711 62.300 -0.167 0.000 0.860 227 V CB 1.904 33.667 31.823 -0.099 0.000 0.991 227 V HN 0.200 8.224 8.190 -0.275 0.000 0.427 228 Y N 7.401 127.695 120.300 -0.010 0.000 2.335 228 Y HA 0.085 4.649 4.550 0.024 0.000 0.339 228 Y C -0.867 175.065 175.900 0.052 0.000 0.987 228 Y CA -0.771 57.346 58.100 0.028 0.000 1.140 228 Y CB 1.216 39.706 38.460 0.050 0.000 1.173 228 Y HN -0.066 8.341 8.280 0.212 0.000 0.486 229 V N 4.694 124.704 119.914 0.160 0.000 2.333 229 V HA 0.074 4.279 4.120 0.142 0.000 0.274 229 V C -0.251 175.938 176.094 0.158 0.000 1.028 229 V CA -1.266 61.115 62.300 0.134 0.000 0.851 229 V CB 0.128 31.992 31.823 0.068 0.000 1.000 229 V HN 0.304 8.560 8.190 0.111 0.000 0.456 230 N N 7.195 126.013 118.700 0.196 0.000 2.641 230 N HA -0.256 4.574 4.740 0.150 0.000 0.267 230 N C -2.277 173.303 175.510 0.117 0.000 1.087 230 N CA 0.232 53.368 53.050 0.144 0.000 0.731 230 N CB 0.033 38.577 38.487 0.095 0.000 0.886 230 N HN -0.126 8.406 8.380 0.254 0.000 0.547 231 P HA 0.317 4.800 4.420 0.105 0.000 0.292 231 P C -0.800 176.509 177.300 0.016 0.000 1.283 231 P CA -0.643 62.511 63.100 0.091 0.000 0.835 231 P CB 0.734 32.498 31.700 0.105 0.000 1.017 232 T N -0.460 114.097 114.554 0.005 0.000 2.766 232 T HA -0.077 4.254 4.350 -0.031 0.000 0.295 232 T C 1.273 175.949 174.700 -0.039 0.000 1.024 232 T CA -1.061 61.026 62.100 -0.021 0.000 1.018 232 T CB 0.981 69.843 68.868 -0.010 0.000 1.002 232 T HN -0.206 8.047 8.240 0.023 0.000 0.532 233 N N 1.133 119.805 118.700 -0.047 0.000 2.149 233 N HA -0.415 4.287 4.740 -0.063 0.000 0.188 233 N C 2.024 177.508 175.510 -0.043 0.000 1.019 233 N CA 4.048 57.066 53.050 -0.052 0.000 0.857 233 N CB -0.377 38.080 38.487 -0.051 0.000 0.997 233 N HN 0.409 8.762 8.380 -0.045 0.000 0.426 234 E N -1.322 118.858 120.200 -0.034 0.000 2.118 234 E HA -0.303 4.029 4.350 -0.030 0.000 0.195 234 E C 2.221 178.797 176.600 -0.040 0.000 0.992 234 E CA 2.956 59.338 56.400 -0.030 0.000 0.804 234 E CB -0.419 29.269 29.700 -0.020 0.000 0.741 234 E HN 0.421 8.754 8.360 -0.030 0.009 0.458 235 V N -0.137 119.747 119.914 -0.049 0.000 2.427 235 V HA -0.362 3.706 4.120 -0.086 0.000 0.248 235 V C 1.685 177.709 176.094 -0.117 0.000 1.051 235 V CA 3.792 66.036 62.300 -0.093 0.000 1.048 235 V CB -0.185 31.577 31.823 -0.102 0.000 0.666 235 V HN -0.774 7.288 8.190 -0.039 0.105 0.456 236 I N 0.726 121.252 120.570 -0.073 0.000 2.202 236 I HA -0.631 3.527 4.170 -0.020 0.000 0.242 236 I C 1.602 177.699 176.117 -0.033 0.000 1.091 236 I CA 4.749 66.029 61.300 -0.033 0.000 1.368 236 I CB -0.537 37.456 38.000 -0.012 0.000 1.058 236 I HN -0.419 7.676 8.210 -0.059 0.079 0.410 237 D N -0.244 120.131 120.400 -0.041 0.000 2.158 237 D HA -0.385 4.231 4.640 -0.039 0.000 0.197 237 D C 2.446 178.729 176.300 -0.029 0.000 0.995 237 D CA 4.498 58.476 54.000 -0.036 0.000 0.846 237 D CB -0.285 40.494 40.800 -0.034 0.000 0.941 237 D HN 0.405 8.635 8.370 -0.044 0.113 0.456 238 K N -0.556 119.822 120.400 -0.036 0.000 2.097 238 K HA -0.221 4.087 4.320 -0.020 0.000 0.205 238 K C 2.557 179.141 176.600 -0.026 0.000 1.050 238 K CA 2.935 59.203 56.287 -0.031 0.000 0.938 238 K CB 0.043 32.519 32.500 -0.040 0.000 0.718 238 K HN -0.543 7.586 8.250 -0.046 0.093 0.442 239 M N -1.331 118.245 119.600 -0.040 0.000 2.319 239 M HA -0.285 4.190 4.480 -0.008 0.000 0.265 239 M C 1.945 178.281 176.300 0.060 0.000 1.068 239 M CA 3.851 59.148 55.300 -0.003 0.000 1.118 239 M CB 0.054 32.637 32.600 -0.028 0.000 1.395 239 M HN -0.223 7.940 8.290 -0.063 0.088 0.435 240 R N -0.696 119.824 120.500 0.034 0.000 2.092 240 R HA -0.147 4.217 4.340 0.041 0.000 0.231 240 R C 2.294 178.600 176.300 0.011 0.000 1.119 240 R CA 2.446 58.555 56.100 0.014 0.000 0.970 240 R CB -0.606 29.669 30.300 -0.042 0.000 0.864 240 R HN 0.709 8.760 8.270 0.007 0.224 0.440 241 A N -0.258 122.564 122.820 0.003 0.000 1.902 241 A HA -0.113 4.430 4.320 -0.002 -0.224 0.217 241 A C 2.219 179.812 177.584 0.015 0.000 1.181 241 A CA 2.880 54.919 52.037 0.003 0.000 0.623 241 A CB -0.681 18.318 19.000 -0.001 0.000 0.818 241 A HN -0.291 7.857 8.150 -0.003 0.000 0.443 242 V N -0.455 119.473 119.914 0.023 0.000 2.343 242 V HA -0.449 3.686 4.120 0.024 0.000 0.247 242 V C 1.799 177.918 176.094 0.042 0.000 1.051 242 V CA 4.336 66.655 62.300 0.031 0.000 1.036 242 V CB -0.242 31.602 31.823 0.036 0.000 0.654 242 V HN -0.687 7.512 8.190 0.022 0.005 0.451 243 Q N -0.177 119.660 119.800 0.061 0.000 2.124 243 Q HA -0.433 3.953 4.340 0.077 0.000 0.202 243 Q C 2.216 178.242 176.000 0.043 0.000 0.977 243 Q CA 3.583 59.430 55.803 0.074 0.000 0.850 243 Q CB -0.238 28.573 28.738 0.121 0.000 0.901 243 Q HN -0.420 7.819 8.270 0.068 0.072 0.429 244 E N -0.505 119.710 120.200 0.025 0.000 2.110 244 E HA -0.442 3.914 4.350 0.010 0.000 0.193 244 E C 2.287 178.895 176.600 0.014 0.000 0.988 244 E CA 3.067 59.475 56.400 0.012 0.000 0.804 244 E CB -0.442 29.259 29.700 0.002 0.000 0.745 244 E HN -0.186 8.103 8.360 0.024 0.085 0.458 245 Q N -0.608 119.202 119.800 0.017 0.000 2.124 245 Q HA -0.303 4.044 4.340 0.012 0.000 0.202 245 Q C 2.634 178.645 176.000 0.018 0.000 0.977 245 Q CA 3.156 58.968 55.803 0.016 0.000 0.850 245 Q CB -0.054 28.694 28.738 0.017 0.000 0.901 245 Q HN -0.555 7.632 8.270 0.019 0.094 0.429 246 V N -0.383 119.545 119.914 0.024 0.000 2.358 246 V HA -0.391 3.743 4.120 0.022 0.000 0.246 246 V C 1.592 177.699 176.094 0.022 0.000 1.047 246 V CA 2.740 65.055 62.300 0.025 0.000 1.035 246 V CB -0.787 31.057 31.823 0.034 0.000 0.658 246 V HN -0.465 7.638 8.190 0.029 0.104 0.452 247 A N -0.533 122.301 122.820 0.022 0.000 1.902 247 A HA -0.262 4.069 4.320 0.019 0.000 0.217 247 A C 1.687 179.278 177.584 0.012 0.000 1.181 247 A CA 2.454 54.502 52.037 0.017 0.000 0.623 247 A CB -0.202 18.806 19.000 0.014 0.000 0.818 247 A HN 0.027 8.121 8.150 0.025 0.072 0.443 248 S N -1.887 113.820 115.700 0.011 0.000 2.370 248 S HA -0.265 4.209 4.470 0.006 0.000 0.226 248 S C 1.220 175.825 174.600 0.009 0.000 1.033 248 S CA 1.836 60.041 58.200 0.008 0.000 1.011 248 S CB 0.452 63.657 63.200 0.007 0.000 0.852 248 S HN -0.250 7.981 8.310 0.012 0.085 0.457 249 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 8.272 8.360 0.013 0.096 0.440