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 1cvd_1_A DATA FIRST_RESID 5 DATA SEQUENCE WGYGKHNGPE HWHKDFPIAK GERQSPVDID THTAKYDPSL KPLSVSYDQA DATA SEQUENCE TSLRILNNGH AFNVEFDDSQ DKAVLKGGPL DGTYRLIQFH FHWGSLDGQG DATA SEQUENCE SEHTVDKKKY AAELCLVHWN TXKYGDFGKA VQQPDGLAVL GIFLKVGSAK DATA SEQUENCE PGLQKVVDVL DSIKTKGKSA DFTNFDPRGL LPESLDYWTY PGSLTTPPLL DATA SEQUENCE ECVTWIVLKE PISVSSEQVL KFRKLNFNGE GEPEELMVDN WRPAQPLKNR DATA SEQUENCE QIKASF 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 5 W HA 0.000 4.660 4.660 0.000 0.000 0.303 5 W C 0.000 176.420 176.519 -0.164 0.000 1.175 5 W CA 0.000 57.279 57.345 -0.110 0.000 1.226 5 W CB 0.000 29.231 29.460 -0.382 0.000 1.126 6 G N 0.610 109.510 108.800 0.166 0.000 2.588 6 G HA2 0.496 4.441 3.960 -0.025 0.000 0.281 6 G HA3 0.496 4.441 3.960 -0.025 0.000 0.281 6 G C -2.088 172.722 174.900 -0.150 0.000 1.223 6 G CA -0.437 44.524 45.100 -0.232 0.000 0.871 6 G HN 0.490 8.780 8.290 0.000 0.000 0.492 7 Y N 0.724 120.982 120.300 -0.070 0.000 2.707 7 Y HA 0.491 5.018 4.550 -0.038 0.000 0.249 7 Y C 1.408 177.232 175.900 -0.128 0.000 1.166 7 Y CA -0.206 57.861 58.100 -0.054 0.000 1.184 7 Y CB 1.029 39.449 38.460 -0.066 0.000 1.240 7 Y HN 0.669 8.949 8.280 0.000 0.000 0.547 8 G N -0.009 108.768 108.800 -0.039 0.000 2.535 8 G HA2 0.196 4.140 3.960 -0.025 0.000 0.303 8 G HA3 0.196 4.140 3.960 -0.025 0.000 0.303 8 G C 0.685 175.544 174.900 -0.068 0.000 1.237 8 G CA -0.434 44.639 45.100 -0.044 0.000 0.986 8 G HN 0.094 8.384 8.290 0.000 0.000 0.494 9 K N -1.147 119.185 120.400 -0.113 0.000 2.147 9 K HA -0.074 4.231 4.320 -0.025 0.000 0.205 9 K C 1.933 178.307 176.600 -0.377 0.000 1.049 9 K CA 1.626 57.770 56.287 -0.239 0.000 0.936 9 K CB -0.226 32.068 32.500 -0.343 0.000 0.722 9 K HN 0.670 8.920 8.250 0.000 0.000 0.446 10 H N -1.445 117.562 119.070 -0.105 0.000 2.547 10 H HA 0.108 4.648 4.556 -0.028 0.000 0.272 10 H C 0.547 175.501 175.328 -0.623 0.000 0.971 10 H CA 0.980 56.851 56.048 -0.295 0.000 1.245 10 H CB 0.297 29.961 29.762 -0.164 0.000 1.440 10 H HN 0.344 8.624 8.280 0.000 0.000 0.540 11 N N -0.161 118.399 118.700 -0.234 0.000 2.160 11 N HA 0.094 4.819 4.740 -0.025 0.000 0.226 11 N C 0.827 176.426 175.510 0.148 0.000 1.256 11 N CA 0.253 53.243 53.050 -0.100 0.000 0.890 11 N CB -0.060 38.414 38.487 -0.022 0.000 1.116 11 N HN 0.150 8.530 8.380 0.000 0.000 0.517 12 G N 1.504 110.340 108.800 0.061 0.000 2.647 12 G HA2 0.167 4.112 3.960 -0.025 0.000 0.271 12 G HA3 0.167 4.112 3.960 -0.025 0.000 0.271 12 G C -1.417 173.226 174.900 -0.429 0.000 1.300 12 G CA -0.769 44.308 45.100 -0.038 0.000 0.997 12 G HN -0.000 8.290 8.290 0.000 0.000 0.533 13 P HA -0.103 4.317 4.420 0.000 0.000 0.219 13 P C 1.731 178.566 177.300 -0.775 0.000 1.146 13 P CA 1.456 63.589 63.100 -1.613 0.000 0.808 13 P CB 0.140 31.167 31.700 -1.122 0.000 0.779 14 E N -1.345 118.611 120.200 -0.407 0.000 2.418 14 E HA -0.196 4.139 4.350 -0.025 0.000 0.197 14 E C 1.281 177.773 176.600 -0.180 0.000 1.026 14 E CA 1.328 57.575 56.400 -0.255 0.000 0.862 14 E CB -1.166 28.387 29.700 -0.246 0.000 0.799 14 E HN 0.476 8.836 8.360 0.000 0.000 0.518 15 H N -1.450 117.587 119.070 -0.054 0.000 2.654 15 H HA 0.068 4.610 4.556 -0.023 0.000 0.264 15 H C 1.125 176.554 175.328 0.168 0.000 0.954 15 H CA 0.135 56.227 56.048 0.074 0.000 1.199 15 H CB 0.067 29.885 29.762 0.093 0.000 1.446 15 H HN 0.177 8.457 8.280 0.000 0.000 0.516 16 W N 1.977 123.376 121.300 0.165 0.000 2.350 16 W HA -0.163 4.484 4.660 -0.022 0.000 0.289 16 W C 2.382 178.974 176.519 0.123 0.000 1.215 16 W CA 1.375 58.809 57.345 0.148 0.000 1.236 16 W CB -1.352 28.132 29.460 0.040 0.000 1.130 16 W HN 0.577 8.757 8.180 0.000 0.000 0.541 17 H N -0.222 119.008 119.070 0.267 0.000 2.460 17 H HA -0.112 4.429 4.556 -0.025 0.000 0.297 17 H C 1.779 177.167 175.328 0.100 0.000 1.103 17 H CA 2.038 58.179 56.048 0.155 0.000 1.292 17 H CB -0.692 29.112 29.762 0.071 0.000 1.376 17 H HN 0.065 8.345 8.280 0.000 0.000 0.531 18 K N 0.159 120.248 120.400 -0.518 0.000 2.057 18 K HA -0.120 4.185 4.320 -0.025 0.000 0.207 18 K C 1.425 177.900 176.600 -0.209 0.000 1.049 18 K CA 1.544 57.630 56.287 -0.335 0.000 0.931 18 K CB 0.101 32.417 32.500 -0.307 0.000 0.714 18 K HN 0.467 8.717 8.250 0.000 0.000 0.440 19 D N -0.567 119.685 120.400 -0.247 0.000 2.262 19 D HA 0.032 4.657 4.640 -0.025 0.000 0.212 19 D C -0.206 175.634 176.300 -0.767 0.000 0.964 19 D CA 0.739 54.393 54.000 -0.577 0.000 0.875 19 D CB 0.453 40.765 40.800 -0.813 0.000 0.996 19 D HN 0.033 8.403 8.370 0.000 0.000 0.497 20 F N 0.360 120.297 119.950 -0.022 0.000 2.453 20 F HA 0.318 4.829 4.527 -0.028 0.000 0.358 20 F C -1.874 173.948 175.800 0.037 0.000 1.129 20 F CA -2.067 55.919 58.000 -0.023 0.000 1.200 20 F CB 1.704 40.647 39.000 -0.094 0.000 1.431 20 F HN -0.222 8.078 8.300 0.000 0.000 0.503 21 P HA -0.178 4.242 4.420 0.000 0.000 0.221 21 P C 1.929 179.307 177.300 0.129 0.000 1.145 21 P CA 1.203 64.377 63.100 0.125 0.000 0.795 21 P CB 0.352 32.093 31.700 0.068 0.000 0.775 22 I N -1.179 119.469 120.570 0.130 0.000 3.083 22 I HA -0.150 4.004 4.170 -0.025 0.000 0.273 22 I C 1.786 177.970 176.117 0.112 0.000 1.297 22 I CA 0.401 61.763 61.300 0.103 0.000 1.452 22 I CB -0.178 37.873 38.000 0.085 0.000 1.078 22 I HN -0.109 8.101 8.210 0.000 0.000 0.484 23 A N 0.792 123.705 122.820 0.156 0.000 2.032 23 A HA -0.207 4.098 4.320 -0.025 0.000 0.221 23 A C 1.907 179.551 177.584 0.101 0.000 1.165 23 A CA 1.536 53.672 52.037 0.165 0.000 0.645 23 A CB -0.321 18.836 19.000 0.261 0.000 0.807 23 A HN 0.538 8.688 8.150 0.000 0.000 0.453 24 K N -0.303 120.147 120.400 0.083 0.000 2.514 24 K HA 0.267 4.571 4.320 -0.025 0.000 0.207 24 K C 0.875 177.497 176.600 0.037 0.000 1.035 24 K CA 0.139 56.446 56.287 0.033 0.000 1.113 24 K CB 0.637 33.138 32.500 0.002 0.000 0.846 24 K HN 0.323 8.573 8.250 0.000 0.000 0.491 25 G N 1.304 110.138 108.800 0.055 0.000 2.583 25 G HA2 -0.055 3.889 3.960 -0.025 0.000 0.275 25 G HA3 -0.055 3.889 3.960 -0.025 0.000 0.275 25 G C 0.591 175.521 174.900 0.049 0.000 1.342 25 G CA -0.289 44.843 45.100 0.053 0.000 1.030 25 G HN 0.074 8.364 8.290 0.000 0.000 0.520 26 E N -0.542 119.690 120.200 0.053 0.000 2.385 26 E HA -0.021 4.313 4.350 -0.025 0.000 0.194 26 E C 1.382 178.029 176.600 0.078 0.000 1.013 26 E CA 0.403 56.836 56.400 0.055 0.000 0.866 26 E CB 0.263 29.994 29.700 0.052 0.000 0.832 26 E HN 0.640 9.000 8.360 0.000 0.000 0.500 27 R N 0.626 121.185 120.500 0.098 0.000 2.701 27 R HA 0.247 4.572 4.340 -0.025 0.000 0.281 27 R C -0.223 176.183 176.300 0.175 0.000 1.367 27 R CA -0.398 55.790 56.100 0.147 0.000 1.510 27 R CB 0.341 30.732 30.300 0.152 0.000 1.306 27 R HN -0.241 8.029 8.270 0.000 0.000 0.682 28 Q N 1.028 120.914 119.800 0.143 0.000 2.299 28 Q HA 0.370 4.694 4.340 -0.025 0.000 0.246 28 Q C -0.434 175.660 176.000 0.156 0.000 0.935 28 Q CA -0.099 55.787 55.803 0.139 0.000 0.887 28 Q CB 2.056 30.845 28.738 0.086 0.000 1.223 28 Q HN 0.452 8.722 8.270 0.000 0.000 0.439 29 S N 2.143 117.934 115.700 0.151 0.000 2.599 29 S HA 0.668 5.123 4.470 -0.025 0.000 0.294 29 S C -2.353 172.209 174.600 -0.063 0.000 1.094 29 S CA -1.190 57.038 58.200 0.046 0.000 0.931 29 S CB 2.083 65.324 63.200 0.068 0.000 1.093 29 S HN 0.454 8.764 8.310 0.000 0.000 0.488 30 P HA 0.541 4.961 4.420 0.000 0.000 0.293 30 P C -0.889 176.196 177.300 -0.358 0.000 1.304 30 P CA -0.433 62.284 63.100 -0.638 0.000 0.767 30 P CB 0.671 31.794 31.700 -0.962 0.000 1.247 31 V N -4.454 115.238 119.914 -0.371 0.000 3.181 31 V HA 0.554 4.659 4.120 -0.025 0.000 0.308 31 V C -1.118 174.867 176.094 -0.180 0.000 1.214 31 V CA -1.029 61.118 62.300 -0.256 0.000 1.053 31 V CB 1.486 33.088 31.823 -0.370 0.000 1.069 31 V HN 0.403 8.593 8.190 0.000 0.000 0.441 32 D N 0.929 121.229 120.400 -0.168 0.000 2.277 32 D HA 0.481 5.105 4.640 -0.025 0.000 0.249 32 D C -0.373 175.809 176.300 -0.198 0.000 1.134 32 D CA -0.071 53.843 54.000 -0.143 0.000 0.863 32 D CB 0.908 41.635 40.800 -0.121 0.000 1.143 32 D HN 0.648 9.018 8.370 0.000 0.000 0.458 33 I N 3.588 124.022 120.570 -0.228 0.000 2.291 33 I HA 0.109 4.264 4.170 -0.025 0.000 0.292 33 I C 0.075 175.979 176.117 -0.354 0.000 1.064 33 I CA -0.449 60.622 61.300 -0.382 0.000 1.269 33 I CB 0.827 38.445 38.000 -0.636 0.000 1.418 33 I HN 0.334 8.544 8.210 0.000 0.000 0.485 34 D N 5.177 125.416 120.400 -0.268 0.000 2.365 34 D HA 0.028 4.653 4.640 -0.025 0.000 0.237 34 D C 1.398 177.569 176.300 -0.215 0.000 1.190 34 D CA -0.231 53.663 54.000 -0.175 0.000 0.867 34 D CB 1.310 42.056 40.800 -0.090 0.000 1.050 34 D HN 0.646 9.016 8.370 0.000 0.000 0.491 35 T N 1.397 115.795 114.554 -0.260 0.000 2.962 35 T HA -0.157 4.178 4.350 -0.025 0.000 0.270 35 T C 1.364 175.909 174.700 -0.257 0.000 1.088 35 T CA 0.998 62.951 62.100 -0.246 0.000 1.127 35 T CB -0.203 68.556 68.868 -0.181 0.000 0.883 35 T HN 0.453 8.693 8.240 0.000 0.000 0.493 36 H N 0.160 119.233 119.070 0.005 0.000 2.525 36 H HA 0.218 4.759 4.556 -0.025 0.000 0.275 36 H C 2.041 177.370 175.328 0.001 0.000 0.984 36 H CA 1.252 57.306 56.048 0.011 0.000 1.264 36 H CB 0.037 29.800 29.762 0.001 0.000 1.432 36 H HN 0.408 8.688 8.280 0.000 0.000 0.549 37 T N 0.336 114.933 114.554 0.072 0.000 3.040 37 T HA 0.244 4.579 4.350 -0.025 0.000 0.252 37 T C 1.037 175.745 174.700 0.012 0.000 1.064 37 T CA 0.268 62.388 62.100 0.033 0.000 1.110 37 T CB 0.019 68.893 68.868 0.010 0.000 0.921 37 T HN 0.309 8.549 8.240 0.000 0.000 0.480 38 A N 2.189 125.004 122.820 -0.007 0.000 2.511 38 A HA 0.311 4.616 4.320 -0.025 0.000 0.242 38 A C 0.418 178.027 177.584 0.042 0.000 1.069 38 A CA 0.140 52.187 52.037 0.018 0.000 0.763 38 A CB 0.188 19.212 19.000 0.041 0.000 1.001 38 A HN 0.077 8.227 8.150 0.000 0.000 0.498 39 K N 2.182 122.608 120.400 0.043 0.000 2.234 39 K HA 0.151 4.456 4.320 -0.025 0.000 0.277 39 K C -1.121 175.485 176.600 0.010 0.000 1.038 39 K CA -0.353 55.954 56.287 0.034 0.000 0.888 39 K CB 0.785 33.297 32.500 0.020 0.000 1.091 39 K HN 0.693 8.943 8.250 0.000 0.000 0.467 40 Y N 3.644 123.892 120.300 -0.086 0.000 2.605 40 Y HA -0.039 4.496 4.550 -0.026 0.000 0.336 40 Y C -0.209 175.644 175.900 -0.079 0.000 1.111 40 Y CA -0.133 57.889 58.100 -0.132 0.000 1.422 40 Y CB 0.261 38.641 38.460 -0.134 0.000 1.193 40 Y HN 0.434 8.714 8.280 0.000 0.000 0.526 41 D N 9.378 129.335 120.400 -0.738 0.000 2.412 41 D HA 0.267 4.892 4.640 -0.025 0.000 0.224 41 D C -2.010 173.759 176.300 -0.884 0.000 1.093 41 D CA -2.644 50.996 54.000 -0.600 0.000 0.850 41 D CB 1.713 42.346 40.800 -0.279 0.000 1.046 41 D HN 0.345 8.715 8.370 0.000 0.000 0.507 42 P HA -0.097 4.323 4.420 0.000 0.000 0.221 42 P C 0.986 178.162 177.300 -0.206 0.000 1.150 42 P CA 0.675 63.519 63.100 -0.428 0.000 0.800 42 P CB 0.023 31.672 31.700 -0.085 0.000 0.787 43 S N -1.741 113.858 115.700 -0.169 0.000 2.660 43 S HA 0.048 4.503 4.470 -0.025 0.000 0.223 43 S C 0.631 175.192 174.600 -0.065 0.000 0.963 43 S CA -0.081 58.068 58.200 -0.086 0.000 0.932 43 S CB -1.001 62.163 63.200 -0.061 0.000 0.775 43 S HN -0.100 8.210 8.310 0.000 0.000 0.531 44 L N 2.471 123.634 121.223 -0.100 0.000 2.305 44 L HA 0.450 4.775 4.340 -0.025 0.000 0.281 44 L C 0.202 177.085 176.870 0.021 0.000 1.085 44 L CA 0.022 54.850 54.840 -0.020 0.000 0.813 44 L CB 0.980 43.012 42.059 -0.045 0.000 1.157 44 L HN 0.112 8.342 8.230 0.000 0.000 0.436 45 K N 4.324 124.760 120.400 0.060 0.000 2.118 45 K HA 0.454 4.759 4.320 -0.025 0.000 0.264 45 K C -2.256 174.412 176.600 0.115 0.000 1.000 45 K CA -1.565 54.755 56.287 0.055 0.000 0.929 45 K CB 0.129 32.642 32.500 0.022 0.000 1.021 45 K HN 0.324 8.574 8.250 0.000 0.000 0.463 46 P HA -0.009 4.411 4.420 0.000 0.000 0.269 46 P C -0.566 176.752 177.300 0.030 0.000 1.215 46 P CA -0.097 63.060 63.100 0.094 0.000 0.780 46 P CB 0.424 32.145 31.700 0.035 0.000 0.898 47 L N 0.871 122.087 121.223 -0.011 0.000 2.436 47 L HA 0.279 4.604 4.340 -0.025 0.000 0.265 47 L C 0.899 177.680 176.870 -0.148 0.000 1.168 47 L CA 0.267 55.006 54.840 -0.169 0.000 0.815 47 L CB 0.524 42.420 42.059 -0.272 0.000 1.109 47 L HN 0.350 8.580 8.230 0.000 0.000 0.462 48 S N 1.734 117.321 115.700 -0.189 0.000 2.718 48 S HA 0.462 4.917 4.470 -0.025 0.000 0.294 48 S C -0.788 173.663 174.600 -0.249 0.000 1.157 48 S CA -0.591 57.504 58.200 -0.175 0.000 1.121 48 S CB 0.718 63.839 63.200 -0.131 0.000 1.015 48 S HN 0.261 8.571 8.310 0.000 0.000 0.479 49 V N 4.834 124.568 119.914 -0.300 0.000 2.333 49 V HA 0.448 4.553 4.120 -0.025 0.000 0.274 49 V C -0.077 175.755 176.094 -0.437 0.000 1.028 49 V CA -0.574 61.422 62.300 -0.507 0.000 0.851 49 V CB 1.355 32.796 31.823 -0.637 0.000 1.000 49 V HN 0.846 9.036 8.190 0.000 0.000 0.456 50 S N 5.379 120.866 115.700 -0.356 0.000 2.475 50 S HA 0.451 4.905 4.470 -0.025 0.000 0.249 50 S C -0.335 174.271 174.600 0.011 0.000 1.298 50 S CA -0.430 57.678 58.200 -0.154 0.000 1.125 50 S CB 0.063 63.223 63.200 -0.067 0.000 1.054 50 S HN 0.653 8.963 8.310 0.000 0.000 0.484 51 Y N 1.581 121.856 120.300 -0.041 0.000 2.584 51 Y HA 0.137 4.674 4.550 -0.023 0.000 0.254 51 Y C 1.771 177.660 175.900 -0.019 0.000 1.177 51 Y CA -1.648 56.429 58.100 -0.038 0.000 1.216 51 Y CB -0.318 38.111 38.460 -0.052 0.000 1.172 51 Y HN 0.594 8.874 8.280 0.000 0.000 0.529 52 D N -0.384 120.086 120.400 0.117 0.000 2.263 52 D HA -0.207 4.417 4.640 -0.025 0.000 0.208 52 D C 1.156 177.494 176.300 0.063 0.000 0.971 52 D CA 1.025 55.066 54.000 0.067 0.000 0.867 52 D CB 0.237 41.054 40.800 0.029 0.000 0.929 52 D HN 0.232 8.602 8.370 0.000 0.000 0.492 53 Q N 0.307 120.153 119.800 0.076 0.000 2.198 53 Q HA 0.375 4.700 4.340 -0.025 0.000 0.209 53 Q C -0.281 175.773 176.000 0.090 0.000 0.848 53 Q CA -0.294 55.550 55.803 0.067 0.000 0.974 53 Q CB 0.559 29.329 28.738 0.053 0.000 1.115 53 Q HN 0.350 8.620 8.270 0.000 0.000 0.494 54 A N 0.207 123.096 122.820 0.114 0.000 2.511 54 A HA 0.354 4.658 4.320 -0.025 0.000 0.242 54 A C -0.198 177.516 177.584 0.217 0.000 1.069 54 A CA 0.315 52.453 52.037 0.168 0.000 0.763 54 A CB 0.203 19.291 19.000 0.148 0.000 1.001 54 A HN 0.238 8.388 8.150 0.000 0.000 0.498 55 T N 2.447 117.170 114.554 0.282 0.000 2.912 55 T HA 0.457 4.791 4.350 -0.025 0.000 0.326 55 T C 0.227 175.010 174.700 0.139 0.000 1.080 55 T CA -0.115 62.096 62.100 0.185 0.000 1.000 55 T CB 0.594 69.530 68.868 0.112 0.000 1.008 55 T HN 0.936 9.176 8.240 0.000 0.000 0.473 56 S N 3.231 118.901 115.700 -0.050 0.000 2.601 56 S HA 0.581 5.036 4.470 -0.025 0.000 0.271 56 S C 0.673 175.163 174.600 -0.184 0.000 1.305 56 S CA -0.812 57.131 58.200 -0.429 0.000 1.022 56 S CB 0.844 63.764 63.200 -0.467 0.000 0.940 56 S HN 0.597 8.907 8.310 0.000 0.000 0.525 57 L N 0.496 121.617 121.223 -0.170 0.000 2.641 57 L HA 0.422 4.747 4.340 -0.025 0.000 0.207 57 L C 0.641 177.498 176.870 -0.022 0.000 1.049 57 L CA -0.242 54.556 54.840 -0.070 0.000 0.866 57 L CB 0.084 42.111 42.059 -0.053 0.000 1.264 57 L HN 0.878 9.108 8.230 0.000 0.000 0.483 58 R N -0.482 119.998 120.500 -0.034 0.000 2.728 58 R HA 0.603 4.928 4.340 -0.025 0.000 0.274 58 R C -1.590 174.648 176.300 -0.103 0.000 1.030 58 R CA -0.594 55.505 56.100 -0.002 0.000 0.876 58 R CB 1.553 31.832 30.300 -0.035 0.000 1.259 58 R HN -0.023 8.247 8.270 0.000 0.000 0.468 59 I N 2.095 122.558 120.570 -0.179 0.000 2.509 59 I HA 0.659 4.814 4.170 -0.025 0.000 0.293 59 I C -1.477 174.522 176.117 -0.197 0.000 1.020 59 I CA -1.395 59.713 61.300 -0.320 0.000 1.088 59 I CB 1.765 39.336 38.000 -0.715 0.000 1.267 59 I HN 0.775 8.985 8.210 0.000 0.000 0.430 60 L N 5.071 126.212 121.223 -0.136 0.000 2.466 60 L HA 0.634 4.959 4.340 -0.025 0.000 0.258 60 L C -1.633 175.209 176.870 -0.046 0.000 0.973 60 L CA -0.797 53.986 54.840 -0.095 0.000 0.826 60 L CB 1.942 43.950 42.059 -0.085 0.000 1.372 60 L HN 0.489 8.719 8.230 0.000 0.000 0.409 61 N N 2.028 120.696 118.700 -0.052 0.000 2.485 61 N HA 0.189 4.914 4.740 -0.025 0.000 0.243 61 N C -0.346 175.118 175.510 -0.077 0.000 0.987 61 N CA -0.344 52.689 53.050 -0.028 0.000 0.940 61 N CB 0.949 39.414 38.487 -0.037 0.000 1.122 61 N HN 0.906 9.286 8.380 0.000 0.000 0.509 62 N N 2.931 121.540 118.700 -0.152 0.000 2.270 62 N HA 0.160 4.885 4.740 -0.025 0.000 0.198 62 N C 1.065 176.404 175.510 -0.286 0.000 1.117 62 N CA 0.367 53.272 53.050 -0.242 0.000 0.845 62 N CB 0.216 38.490 38.487 -0.354 0.000 0.980 62 N HN 0.627 9.007 8.380 0.000 0.000 0.486 63 G N 0.350 109.057 108.800 -0.156 0.000 2.213 63 G HA2 -0.306 3.638 3.960 -0.025 0.000 0.236 63 G HA3 -0.306 3.638 3.960 -0.025 0.000 0.236 63 G C 0.640 175.641 174.900 0.169 0.000 0.991 63 G CA 0.492 45.592 45.100 0.000 0.000 0.629 63 G HN 0.700 8.990 8.290 0.000 0.000 0.517 64 H N -1.311 117.858 119.070 0.165 0.000 3.643 64 H HA 0.717 5.276 4.556 0.006 0.000 0.256 64 H C 0.843 176.274 175.328 0.172 0.000 1.107 64 H CA 0.929 57.150 56.048 0.289 0.000 1.175 64 H CB 0.227 30.149 29.762 0.266 0.000 1.519 64 H HN 1.470 9.750 8.280 0.000 0.000 0.565 65 A N 1.172 123.994 122.820 0.003 0.000 2.552 65 A HA 0.485 4.790 4.320 -0.025 0.000 0.308 65 A C -2.079 175.554 177.584 0.082 0.000 1.114 65 A CA -0.514 51.539 52.037 0.026 0.000 0.610 65 A CB 0.406 19.348 19.000 -0.096 0.000 1.402 65 A HN 0.231 8.381 8.150 0.000 0.000 0.563 66 F N 0.300 120.302 119.950 0.087 0.000 2.539 66 F HA 0.782 5.281 4.527 -0.046 0.000 0.328 66 F C -0.967 174.820 175.800 -0.023 0.000 1.148 66 F CA -1.406 56.569 58.000 -0.042 0.000 0.940 66 F CB 0.980 39.910 39.000 -0.117 0.000 1.194 66 F HN 0.255 8.555 8.300 0.000 0.000 0.438 67 N N 2.894 121.587 118.700 -0.010 0.000 2.426 67 N HA 0.429 5.154 4.740 -0.025 0.000 0.275 67 N C -1.033 174.360 175.510 -0.194 0.000 1.019 67 N CA -0.622 52.375 53.050 -0.089 0.000 0.941 67 N CB 2.259 40.707 38.487 -0.065 0.000 1.123 67 N HN 0.544 8.924 8.380 0.000 0.000 0.486 68 V N 2.546 122.206 119.914 -0.423 0.000 2.348 68 V HA 0.178 4.283 4.120 -0.025 0.000 0.270 68 V C 0.309 176.156 176.094 -0.412 0.000 1.037 68 V CA -0.538 61.406 62.300 -0.594 0.000 0.872 68 V CB 0.239 31.380 31.823 -1.137 0.000 1.002 68 V HN 0.553 8.743 8.190 0.000 0.000 0.464 69 E N 4.331 124.363 120.200 -0.280 0.000 2.266 69 E HA 0.613 4.947 4.350 -0.025 0.000 0.277 69 E C -1.263 175.213 176.600 -0.206 0.000 1.018 69 E CA -0.293 56.031 56.400 -0.126 0.000 0.840 69 E CB 1.512 31.161 29.700 -0.085 0.000 1.082 69 E HN 0.496 8.856 8.360 0.000 0.000 0.395 70 F N 0.560 120.492 119.950 -0.031 0.000 2.577 70 F HA 0.167 4.679 4.527 -0.025 0.000 0.318 70 F C 0.140 175.957 175.800 0.028 0.000 1.065 70 F CA -1.207 56.798 58.000 0.008 0.000 0.929 70 F CB 1.339 40.337 39.000 -0.004 0.000 1.237 70 F HN 0.302 8.602 8.300 0.000 0.000 0.468 71 D N 1.819 122.351 120.400 0.219 0.000 2.346 71 D HA 0.057 4.682 4.640 -0.025 0.000 0.260 71 D C -0.101 176.307 176.300 0.181 0.000 1.252 71 D CA -0.012 54.081 54.000 0.156 0.000 0.895 71 D CB 0.340 41.208 40.800 0.113 0.000 1.097 71 D HN 0.526 8.896 8.370 0.000 0.000 0.489 72 D N 1.034 121.556 120.400 0.203 0.000 2.643 72 D HA -0.024 4.600 4.640 -0.025 0.000 0.244 72 D C 0.750 177.209 176.300 0.266 0.000 1.257 72 D CA -0.310 53.838 54.000 0.247 0.000 0.831 72 D CB -0.323 40.728 40.800 0.418 0.000 1.043 72 D HN 0.172 8.542 8.370 0.000 0.000 0.488 73 S N -1.328 114.480 115.700 0.180 0.000 2.558 73 S HA 0.093 4.548 4.470 -0.025 0.000 0.217 73 S C 0.670 175.342 174.600 0.120 0.000 0.975 73 S CA -0.070 58.225 58.200 0.158 0.000 0.912 73 S CB 0.064 63.332 63.200 0.113 0.000 0.776 73 S HN 0.285 8.595 8.310 0.000 0.000 0.526 74 Q N -0.072 119.784 119.800 0.094 0.000 2.534 74 Q HA 0.308 4.633 4.340 -0.025 0.000 0.290 74 Q C -1.968 174.044 176.000 0.020 0.000 0.991 74 Q CA -0.851 54.983 55.803 0.052 0.000 0.783 74 Q CB 1.377 30.143 28.738 0.046 0.000 1.470 74 Q HN 0.048 8.318 8.270 0.000 0.000 0.406 75 D N 1.762 122.158 120.400 -0.007 0.000 2.597 75 D HA 0.052 4.677 4.640 -0.025 0.000 0.228 75 D C 0.225 176.528 176.300 0.004 0.000 1.120 75 D CA 0.539 54.522 54.000 -0.028 0.000 1.083 75 D CB 0.343 41.119 40.800 -0.041 0.000 1.116 75 D HN 0.268 8.638 8.370 0.000 0.000 0.487 76 K N 0.273 120.687 120.400 0.023 0.000 2.168 76 K HA 0.220 4.525 4.320 -0.025 0.000 0.201 76 K C 0.642 177.281 176.600 0.065 0.000 1.049 76 K CA 0.347 56.663 56.287 0.047 0.000 0.974 76 K CB 0.651 33.191 32.500 0.066 0.000 0.792 76 K HN 0.143 8.393 8.250 0.000 0.000 0.463 77 A N 1.905 124.762 122.820 0.061 0.000 2.363 77 A HA 0.498 4.802 4.320 -0.025 0.000 0.296 77 A C -0.547 177.146 177.584 0.182 0.000 1.237 77 A CA -0.679 51.441 52.037 0.138 0.000 0.773 77 A CB 0.639 19.583 19.000 -0.093 0.000 1.153 77 A HN 0.019 8.169 8.150 0.000 0.000 0.473 78 V N 0.483 120.520 119.914 0.205 0.000 3.040 78 V HA 0.790 4.894 4.120 -0.025 0.000 0.312 78 V C -0.695 175.410 176.094 0.019 0.000 1.115 78 V CA -1.012 61.359 62.300 0.118 0.000 0.998 78 V CB 1.961 33.788 31.823 0.006 0.000 1.042 78 V HN 0.782 8.972 8.190 0.000 0.000 0.433 79 L N 2.684 123.868 121.223 -0.066 0.000 2.365 79 L HA 0.783 5.107 4.340 -0.025 0.000 0.273 79 L C -0.541 176.222 176.870 -0.179 0.000 1.000 79 L CA -0.401 54.273 54.840 -0.277 0.000 0.819 79 L CB 1.802 43.466 42.059 -0.658 0.000 1.284 79 L HN 1.158 9.388 8.230 0.000 0.000 0.418 80 K N 2.727 123.011 120.400 -0.194 0.000 2.507 80 K HA 0.791 5.096 4.320 -0.025 0.000 0.284 80 K C -0.154 176.351 176.600 -0.158 0.000 1.038 80 K CA -0.199 56.015 56.287 -0.123 0.000 0.903 80 K CB 1.516 33.978 32.500 -0.064 0.000 1.531 80 K HN 0.714 8.964 8.250 0.000 0.000 0.430 81 G N -0.486 108.248 108.800 -0.110 0.000 2.645 81 G HA2 0.153 4.097 3.960 -0.025 0.000 0.239 81 G HA3 0.153 4.097 3.960 -0.025 0.000 0.239 81 G C 0.598 175.419 174.900 -0.132 0.000 1.331 81 G CA 0.610 45.652 45.100 -0.097 0.000 0.890 81 G HN 1.859 10.149 8.290 0.000 0.000 0.572 82 G N -0.942 107.804 108.800 -0.090 0.000 2.574 82 G HA2 -0.029 3.916 3.960 -0.025 0.000 0.286 82 G HA3 -0.029 3.916 3.960 -0.025 0.000 0.286 82 G C -0.380 174.512 174.900 -0.013 0.000 1.212 82 G CA 1.613 46.674 45.100 -0.066 0.000 0.979 82 G HN 1.595 9.885 8.290 0.000 0.000 0.557 83 P HA 0.245 4.665 4.420 0.000 0.000 0.255 83 P C 0.845 178.114 177.300 -0.052 0.000 1.248 83 P CA 0.225 63.320 63.100 -0.008 0.000 0.807 83 P CB 0.050 31.767 31.700 0.028 0.000 1.150 84 L N 0.574 121.724 121.223 -0.121 0.000 2.417 84 L HA 0.284 4.608 4.340 -0.025 0.000 0.268 84 L C 0.364 177.238 176.870 0.008 0.000 1.158 84 L CA 0.088 54.862 54.840 -0.109 0.000 0.819 84 L CB 0.201 42.084 42.059 -0.292 0.000 1.112 84 L HN -0.226 8.004 8.230 0.000 0.000 0.458 85 D N 2.222 122.689 120.400 0.112 0.000 2.462 85 D HA 0.545 5.170 4.640 -0.025 0.000 0.245 85 D C 0.255 176.628 176.300 0.122 0.000 1.122 85 D CA 0.376 54.429 54.000 0.090 0.000 0.864 85 D CB 1.736 42.574 40.800 0.064 0.000 1.098 85 D HN 0.764 9.134 8.370 0.000 0.000 0.541 86 G N 1.735 110.570 108.800 0.060 0.000 2.655 86 G HA2 -0.133 3.812 3.960 -0.025 0.000 0.680 86 G HA3 -0.133 3.812 3.960 -0.025 0.000 0.680 86 G C -0.536 174.397 174.900 0.056 0.000 1.302 86 G CA -0.972 44.126 45.100 -0.003 0.000 0.872 86 G HN 0.342 8.632 8.290 0.000 0.000 0.540 87 T N 1.035 115.550 114.554 -0.064 0.000 2.767 87 T HA 0.608 4.943 4.350 -0.025 0.000 0.284 87 T C -0.949 173.656 174.700 -0.157 0.000 0.973 87 T CA 0.080 62.152 62.100 -0.048 0.000 0.996 87 T CB 0.966 69.773 68.868 -0.101 0.000 0.927 87 T HN 0.477 8.717 8.240 0.000 0.000 0.456 88 Y N 1.904 122.095 120.300 -0.181 0.000 2.335 88 Y HA 0.474 5.008 4.550 -0.027 0.000 0.338 88 Y C 0.833 176.625 175.900 -0.180 0.000 0.977 88 Y CA -1.141 56.847 58.100 -0.187 0.000 1.114 88 Y CB 1.177 39.552 38.460 -0.141 0.000 1.182 88 Y HN 0.354 8.634 8.280 0.000 0.000 0.463 89 R N 3.109 123.429 120.500 -0.301 0.000 2.312 89 R HA 0.335 4.659 4.340 -0.025 0.000 0.311 89 R C -0.708 175.493 176.300 -0.165 0.000 1.004 89 R CA -0.892 55.009 56.100 -0.331 0.000 0.902 89 R CB 1.290 31.153 30.300 -0.728 0.000 1.073 89 R HN 0.593 8.863 8.270 0.000 0.000 0.457 90 L N 5.465 126.644 121.223 -0.074 0.000 2.477 90 L HA 0.042 4.367 4.340 -0.025 0.000 0.272 90 L C 0.509 177.286 176.870 -0.154 0.000 1.157 90 L CA 0.833 55.457 54.840 -0.361 0.000 0.889 90 L CB 0.661 42.402 42.059 -0.530 0.000 1.158 90 L HN 0.853 9.083 8.230 0.000 0.000 0.473 91 I N 3.268 123.806 120.570 -0.053 0.000 3.565 91 I HA 0.025 4.180 4.170 -0.025 0.000 0.287 91 I C -0.209 175.965 176.117 0.096 0.000 1.193 91 I CA 0.027 61.397 61.300 0.116 0.000 1.402 91 I CB 0.512 38.632 38.000 0.198 0.000 1.284 91 I HN 0.838 9.048 8.210 0.000 0.000 0.454 92 Q N 0.193 120.007 119.800 0.023 0.000 2.687 92 Q HA 0.405 4.729 4.340 -0.025 0.000 0.295 92 Q C -1.237 174.797 176.000 0.056 0.000 0.920 92 Q CA -0.762 55.091 55.803 0.083 0.000 0.766 92 Q CB 1.376 30.119 28.738 0.007 0.000 1.467 92 Q HN 0.137 8.407 8.270 0.000 0.000 0.415 93 F N -1.159 118.817 119.950 0.043 0.000 2.588 93 F HA 0.926 5.441 4.527 -0.019 0.000 0.310 93 F C -1.019 174.663 175.800 -0.197 0.000 1.082 93 F CA -0.563 57.339 58.000 -0.163 0.000 0.929 93 F CB 1.903 40.817 39.000 -0.143 0.000 1.254 93 F HN 0.866 9.166 8.300 0.000 0.000 0.455 94 H N -0.114 118.965 119.070 0.015 0.000 2.948 94 H HA 0.665 5.209 4.556 -0.020 0.000 0.315 94 H C -2.252 172.890 175.328 -0.311 0.000 1.360 94 H CA -1.076 54.860 56.048 -0.186 0.000 1.125 94 H CB 1.844 31.499 29.762 -0.179 0.000 1.844 94 H HN 0.641 8.921 8.280 0.000 0.000 0.529 95 F N -0.405 119.565 119.950 0.033 0.000 2.640 95 F HA 0.480 4.988 4.527 -0.032 0.000 0.324 95 F C -0.065 175.840 175.800 0.176 0.000 1.077 95 F CA -0.705 57.443 58.000 0.247 0.000 0.965 95 F CB 1.826 41.081 39.000 0.425 0.000 1.351 95 F HN 0.442 8.742 8.300 0.000 0.000 0.487 96 H N 0.416 119.947 119.070 0.767 0.000 2.823 96 H HA 0.275 4.818 4.556 -0.021 0.000 0.332 96 H C -1.492 174.204 175.328 0.614 0.000 0.980 96 H CA -0.899 55.428 56.048 0.464 0.000 1.286 96 H CB 1.514 31.523 29.762 0.412 0.000 1.541 96 H HN 0.824 9.104 8.280 0.000 0.000 0.521 97 W N 2.405 124.007 121.300 0.504 0.000 3.055 97 W HA 0.773 5.406 4.660 -0.044 0.000 0.340 97 W C -0.480 176.301 176.519 0.437 0.000 1.180 97 W CA -1.350 56.246 57.345 0.419 0.000 1.077 97 W CB 0.544 30.251 29.460 0.413 0.000 1.479 97 W HN 0.597 8.777 8.180 0.000 0.000 0.593 98 G N -0.424 108.709 108.800 0.555 0.000 2.667 98 G HA2 0.410 4.355 3.960 -0.025 0.000 0.310 98 G HA3 0.410 4.355 3.960 -0.025 0.000 0.310 98 G C 0.221 175.374 174.900 0.422 0.000 1.259 98 G CA -0.384 44.992 45.100 0.462 0.000 1.019 98 G HN 0.858 9.148 8.290 0.000 0.000 0.496 99 S N -1.434 114.464 115.700 0.330 0.000 2.446 99 S HA 0.226 4.681 4.470 -0.025 0.000 0.225 99 S C 0.682 175.399 174.600 0.195 0.000 1.016 99 S CA 0.353 58.704 58.200 0.251 0.000 0.943 99 S CB -0.110 63.214 63.200 0.207 0.000 0.786 99 S HN 0.197 8.507 8.310 0.000 0.000 0.508 100 L N 1.590 122.920 121.223 0.179 0.000 2.309 100 L HA 0.532 4.856 4.340 -0.025 0.000 0.261 100 L C 0.364 177.297 176.870 0.105 0.000 1.021 100 L CA -0.448 54.464 54.840 0.120 0.000 0.823 100 L CB 1.245 43.359 42.059 0.092 0.000 1.366 100 L HN -0.029 8.201 8.230 0.000 0.000 0.423 101 D N 1.027 121.466 120.400 0.066 0.000 2.264 101 D HA -0.073 4.552 4.640 -0.025 0.000 0.208 101 D C 1.665 177.976 176.300 0.018 0.000 0.966 101 D CA 1.200 55.227 54.000 0.045 0.000 0.864 101 D CB 0.231 41.046 40.800 0.025 0.000 0.933 101 D HN 0.828 9.198 8.370 0.000 0.000 0.499 102 G N 0.037 108.842 108.800 0.008 0.000 2.848 102 G HA2 -0.056 3.889 3.960 -0.025 0.000 0.208 102 G HA3 -0.056 3.889 3.960 -0.025 0.000 0.208 102 G C 0.478 175.335 174.900 -0.073 0.000 1.152 102 G CA 0.136 45.215 45.100 -0.035 0.000 0.789 102 G HN 0.394 8.684 8.290 0.000 0.000 0.531 103 Q N -3.684 116.083 119.800 -0.055 0.000 2.522 103 Q HA 0.577 4.902 4.340 -0.025 0.000 0.285 103 Q C 0.031 175.920 176.000 -0.186 0.000 0.982 103 Q CA -0.501 55.188 55.803 -0.190 0.000 0.805 103 Q CB 1.397 30.051 28.738 -0.139 0.000 1.457 103 Q HN 0.380 8.650 8.270 0.000 0.000 0.394 104 G N 0.615 109.088 108.800 -0.544 0.000 3.382 104 G HA2 -0.154 3.791 3.960 -0.025 0.000 0.214 104 G HA3 -0.154 3.791 3.960 -0.025 0.000 0.214 104 G C 0.052 174.840 174.900 -0.186 0.000 1.025 104 G CA 0.053 44.978 45.100 -0.291 0.000 0.869 104 G HN 1.160 9.450 8.290 0.000 0.000 0.458 105 S N 0.634 116.277 115.700 -0.095 0.000 2.584 105 S HA 0.535 4.989 4.470 -0.025 0.000 0.270 105 S C 0.855 175.452 174.600 -0.005 0.000 1.346 105 S CA 0.673 58.969 58.200 0.160 0.000 1.018 105 S CB 1.973 65.389 63.200 0.360 0.000 0.899 105 S HN 0.392 8.702 8.310 0.000 0.000 0.542 106 E N 0.779 121.069 120.200 0.149 0.000 2.065 106 E HA 0.018 4.353 4.350 -0.025 0.000 0.191 106 E C -0.135 176.428 176.600 -0.063 0.000 0.960 106 E CA 0.546 56.959 56.400 0.021 0.000 0.824 106 E CB -0.162 29.482 29.700 -0.093 0.000 0.793 106 E HN 0.774 9.134 8.360 0.000 0.000 0.459 107 H N 0.722 119.869 119.070 0.128 0.000 2.652 107 H HA 0.132 4.672 4.556 -0.026 0.000 0.349 107 H C 0.040 175.500 175.328 0.220 0.000 1.099 107 H CA 0.311 56.450 56.048 0.151 0.000 1.417 107 H CB 0.996 30.885 29.762 0.212 0.000 1.457 107 H HN 0.030 8.310 8.280 0.000 0.000 0.568 108 T N -0.451 114.195 114.554 0.153 0.000 2.924 108 T HA 0.609 4.944 4.350 -0.025 0.000 0.291 108 T C -0.725 173.939 174.700 -0.060 0.000 1.045 108 T CA -0.999 61.094 62.100 -0.012 0.000 1.015 108 T CB 1.273 70.087 68.868 -0.090 0.000 1.103 108 T HN 0.264 8.504 8.240 0.000 0.000 0.496 109 V N 2.731 122.562 119.914 -0.138 0.000 2.350 109 V HA 0.354 4.458 4.120 -0.025 0.000 0.285 109 V C -0.356 175.648 176.094 -0.149 0.000 1.014 109 V CA -0.542 61.657 62.300 -0.169 0.000 0.831 109 V CB 0.670 32.448 31.823 -0.075 0.000 1.000 109 V HN 1.120 9.310 8.190 0.000 0.000 0.433 110 D N 4.458 124.764 120.400 -0.157 0.000 2.837 110 D HA -0.176 4.448 4.640 -0.025 0.000 0.230 110 D C 1.073 177.317 176.300 -0.093 0.000 1.152 110 D CA 1.032 54.972 54.000 -0.101 0.000 0.736 110 D CB -0.416 40.346 40.800 -0.062 0.000 1.084 110 D HN 0.790 9.160 8.370 0.000 0.000 0.429 111 K N -2.469 117.865 120.400 -0.111 0.000 3.583 111 K HA -0.231 4.074 4.320 -0.025 0.000 0.287 111 K C 0.507 177.021 176.600 -0.143 0.000 1.269 111 K CA 1.324 57.546 56.287 -0.108 0.000 0.998 111 K CB -1.405 31.046 32.500 -0.081 0.000 1.284 111 K HN 0.571 8.821 8.250 0.000 0.000 0.472 112 K N 2.400 122.691 120.400 -0.182 0.000 2.339 112 K HA 0.166 4.470 4.320 -0.025 0.000 0.286 112 K C -0.490 175.896 176.600 -0.356 0.000 1.050 112 K CA 0.044 56.163 56.287 -0.281 0.000 0.956 112 K CB 0.534 32.821 32.500 -0.356 0.000 0.990 112 K HN -0.023 8.227 8.250 0.000 0.000 0.475 113 K N 3.374 123.557 120.400 -0.361 0.000 2.159 113 K HA 0.226 4.530 4.320 -0.025 0.000 0.266 113 K C -1.009 175.353 176.600 -0.398 0.000 0.975 113 K CA -0.687 55.408 56.287 -0.320 0.000 0.865 113 K CB 1.062 33.386 32.500 -0.293 0.000 1.087 113 K HN 0.390 8.640 8.250 0.000 0.000 0.446 114 Y N -0.086 120.097 120.300 -0.196 0.000 2.432 114 Y HA 0.211 4.746 4.550 -0.026 0.000 0.322 114 Y C 1.390 177.282 175.900 -0.013 0.000 1.246 114 Y CA -0.284 57.761 58.100 -0.091 0.000 1.268 114 Y CB 1.282 39.712 38.460 -0.049 0.000 1.276 114 Y HN 0.758 9.038 8.280 0.000 0.000 0.499 115 A N 1.190 124.134 122.820 0.207 0.000 1.978 115 A HA 0.259 4.563 4.320 -0.025 0.000 0.220 115 A C 0.863 178.594 177.584 0.245 0.000 1.170 115 A CA 1.897 54.031 52.037 0.162 0.000 0.636 115 A CB -0.575 18.497 19.000 0.121 0.000 0.810 115 A HN 0.789 8.939 8.150 0.000 0.000 0.448 116 A N -1.984 121.035 122.820 0.331 0.000 2.564 116 A HA 0.667 4.972 4.320 -0.025 0.000 0.291 116 A C -0.993 176.894 177.584 0.505 0.000 1.102 116 A CA -0.063 52.249 52.037 0.459 0.000 0.660 116 A CB 0.720 20.026 19.000 0.510 0.000 1.283 116 A HN 0.274 8.424 8.150 0.000 0.000 0.430 117 E N -0.117 120.433 120.200 0.584 0.000 2.304 117 E HA 0.507 4.841 4.350 -0.025 0.000 0.277 117 E C -2.106 174.767 176.600 0.456 0.000 0.898 117 E CA -0.641 56.052 56.400 0.488 0.000 0.764 117 E CB 1.754 31.740 29.700 0.478 0.000 1.216 117 E HN 0.757 9.117 8.360 0.000 0.000 0.419 118 L N 5.073 126.429 121.223 0.221 0.000 2.264 118 L HA 0.518 4.843 4.340 -0.025 0.000 0.289 118 L C -1.549 175.253 176.870 -0.112 0.000 1.044 118 L CA -0.377 54.381 54.840 -0.136 0.000 0.807 118 L CB 0.829 42.777 42.059 -0.185 0.000 1.192 118 L HN 0.673 8.903 8.230 0.000 0.000 0.425 119 C N 6.019 125.178 119.300 -0.236 0.000 2.345 119 C HA 0.608 5.053 4.460 -0.025 0.000 0.323 119 C C -0.238 174.618 174.990 -0.223 0.000 1.276 119 C CA -0.946 57.988 59.018 -0.140 0.000 1.543 119 C CB 0.691 28.366 27.740 -0.108 0.000 2.211 119 C HN 0.704 8.934 8.230 0.000 0.000 0.493 120 L N 4.076 125.241 121.223 -0.096 0.000 2.280 120 L HA 0.592 4.917 4.340 -0.025 0.000 0.287 120 L C -0.188 176.613 176.870 -0.116 0.000 1.023 120 L CA -0.096 54.689 54.840 -0.092 0.000 0.819 120 L CB 1.056 43.102 42.059 -0.022 0.000 1.212 120 L HN 0.405 8.635 8.230 0.000 0.000 0.420 121 V N 2.587 122.391 119.914 -0.184 0.000 2.394 121 V HA 0.457 4.562 4.120 -0.025 0.000 0.282 121 V C -0.577 175.411 176.094 -0.176 0.000 1.031 121 V CA -0.661 61.602 62.300 -0.061 0.000 0.881 121 V CB 1.048 32.913 31.823 0.071 0.000 0.982 121 V HN 0.666 8.856 8.190 0.000 0.000 0.451 122 H N 3.195 122.352 119.070 0.144 0.000 2.768 122 H HA 0.681 5.223 4.556 -0.023 0.000 0.371 122 H C -0.855 174.707 175.328 0.390 0.000 1.151 122 H CA -0.743 55.417 56.048 0.186 0.000 1.165 122 H CB 1.637 31.464 29.762 0.108 0.000 1.722 122 H HN 0.780 9.060 8.280 0.000 0.000 0.543 123 W N 0.836 122.370 121.300 0.389 0.000 2.844 123 W HA 0.438 5.082 4.660 -0.026 0.000 0.340 123 W C -0.729 175.796 176.519 0.009 0.000 1.093 123 W CA -0.913 56.601 57.345 0.281 0.000 1.212 123 W CB 0.986 30.625 29.460 0.299 0.000 1.422 123 W HN 0.445 8.625 8.180 0.000 0.000 0.515 124 N N 2.937 121.594 118.700 -0.073 0.000 2.438 124 N HA 0.009 4.733 4.740 -0.025 0.000 0.267 124 N C 0.565 176.017 175.510 -0.097 0.000 1.222 124 N CA 0.574 53.298 53.050 -0.543 0.000 0.930 124 N CB 0.915 39.072 38.487 -0.550 0.000 1.083 124 N HN 0.534 8.914 8.380 0.000 0.000 0.476 128 Y N 1.589 121.936 120.300 0.079 0.000 2.466 128 Y HA 0.318 4.853 4.550 -0.025 0.000 0.272 128 Y C 1.880 177.824 175.900 0.074 0.000 1.169 128 Y CA 0.930 59.068 58.100 0.063 0.000 1.285 128 Y CB 0.815 39.296 38.460 0.034 0.000 1.078 128 Y HN 0.505 8.785 8.280 0.000 0.000 0.523 129 G N 0.584 109.559 108.800 0.291 0.000 2.990 129 G HA2 -0.371 3.573 3.960 -0.025 0.000 0.225 129 G HA3 -0.371 3.573 3.960 -0.025 0.000 0.225 129 G C 0.065 175.013 174.900 0.081 0.000 1.304 129 G CA 0.710 45.941 45.100 0.218 0.000 0.816 129 G HN 0.519 8.809 8.290 0.000 0.000 0.528 130 D N -1.819 118.441 120.400 -0.232 0.000 2.592 130 D HA 0.634 5.259 4.640 -0.025 0.000 0.263 130 D C 0.750 176.511 176.300 -0.898 0.000 1.132 130 D CA -0.378 53.179 54.000 -0.739 0.000 0.996 130 D CB 0.215 40.819 40.800 -0.325 0.000 1.442 130 D HN 0.234 8.604 8.370 0.000 0.000 0.486 131 F N 0.632 119.872 119.950 -1.184 0.000 2.146 131 F HA 0.111 4.625 4.527 -0.022 0.000 0.298 131 F C 2.208 177.788 175.800 -0.366 0.000 1.096 131 F CA 2.238 59.739 58.000 -0.832 0.000 1.275 131 F CB -0.528 38.089 39.000 -0.640 0.000 1.008 131 F HN 0.508 8.808 8.300 0.000 0.000 0.480 132 G N 0.538 109.184 108.800 -0.256 0.000 2.442 132 G HA2 -0.252 3.693 3.960 -0.025 0.000 0.219 132 G HA3 -0.252 3.693 3.960 -0.025 0.000 0.219 132 G C 1.780 176.520 174.900 -0.266 0.000 1.141 132 G CA 0.801 45.772 45.100 -0.216 0.000 0.763 132 G HN 0.206 8.496 8.290 0.000 0.000 0.554 133 K N 0.715 120.964 120.400 -0.251 0.000 2.116 133 K HA 0.179 4.483 4.320 -0.025 0.000 0.203 133 K C 2.882 179.272 176.600 -0.349 0.000 1.052 133 K CA 0.983 57.139 56.287 -0.218 0.000 0.952 133 K CB -0.594 31.847 32.500 -0.099 0.000 0.729 133 K HN 0.259 8.509 8.250 0.000 0.000 0.446 134 A N 1.632 124.245 122.820 -0.346 0.000 1.902 134 A HA -0.124 4.181 4.320 -0.025 0.000 0.217 134 A C 2.257 179.586 177.584 -0.424 0.000 1.181 134 A CA 1.823 53.646 52.037 -0.358 0.000 0.623 134 A CB -0.842 18.122 19.000 -0.060 0.000 0.818 134 A HN 0.150 8.300 8.150 0.000 0.000 0.443 135 V N -2.452 117.153 119.914 -0.515 0.000 3.026 135 V HA -0.211 3.893 4.120 -0.025 0.000 0.265 135 V C 1.572 177.500 176.094 -0.277 0.000 1.121 135 V CA 2.053 64.110 62.300 -0.406 0.000 1.142 135 V CB -1.144 30.407 31.823 -0.454 0.000 0.730 135 V HN 0.639 8.829 8.190 0.000 0.000 0.503 136 Q N -0.124 119.490 119.800 -0.309 0.000 2.360 136 Q HA 0.214 4.539 4.340 -0.025 0.000 0.202 136 Q C 0.116 175.954 176.000 -0.271 0.000 0.915 136 Q CA 0.116 55.773 55.803 -0.245 0.000 0.943 136 Q CB 0.344 28.949 28.738 -0.222 0.000 1.064 136 Q HN 0.685 8.955 8.270 0.000 0.000 0.511 137 Q N -0.056 119.532 119.800 -0.354 0.000 2.377 137 Q HA 0.222 4.546 4.340 -0.025 0.000 0.271 137 Q C -2.021 173.905 176.000 -0.124 0.000 1.077 137 Q CA -2.110 53.503 55.803 -0.317 0.000 0.820 137 Q CB 1.492 29.792 28.738 -0.730 0.000 1.347 137 Q HN -0.107 8.163 8.270 0.000 0.000 0.444 138 P HA -0.149 4.271 4.420 0.000 0.000 0.218 138 P C 0.251 177.595 177.300 0.075 0.000 1.149 138 P CA 1.473 64.589 63.100 0.028 0.000 0.817 138 P CB 0.291 32.018 31.700 0.044 0.000 0.785 139 D N -1.873 118.607 120.400 0.135 0.000 2.593 139 D HA 0.149 4.774 4.640 -0.025 0.000 0.241 139 D C 1.631 178.134 176.300 0.337 0.000 1.257 139 D CA -0.367 53.767 54.000 0.223 0.000 0.828 139 D CB -1.012 39.929 40.800 0.236 0.000 1.049 139 D HN 0.035 8.405 8.370 0.000 0.000 0.490 140 G N 0.264 109.192 108.800 0.213 0.000 2.421 140 G HA2 0.094 4.039 3.960 -0.025 0.000 0.217 140 G HA3 0.094 4.039 3.960 -0.025 0.000 0.217 140 G C 0.637 175.713 174.900 0.293 0.000 1.143 140 G CA 0.366 45.585 45.100 0.198 0.000 0.784 140 G HN 0.287 8.577 8.290 0.000 0.000 0.541 141 L N -0.648 120.734 121.223 0.266 0.000 2.333 141 L HA 0.749 5.074 4.340 -0.025 0.000 0.263 141 L C -0.760 176.192 176.870 0.137 0.000 1.014 141 L CA -1.167 53.850 54.840 0.296 0.000 0.820 141 L CB 2.453 44.601 42.059 0.148 0.000 1.352 141 L HN 0.034 8.264 8.230 0.000 0.000 0.421 142 A N 1.586 124.438 122.820 0.054 0.000 2.385 142 A HA 0.725 5.030 4.320 -0.025 0.000 0.290 142 A C -1.207 176.263 177.584 -0.190 0.000 1.094 142 A CA -0.417 51.445 52.037 -0.292 0.000 0.729 142 A CB 1.532 20.104 19.000 -0.713 0.000 1.194 142 A HN 0.316 8.466 8.150 0.000 0.000 0.442 143 V N 3.584 123.238 119.914 -0.434 0.000 2.409 143 V HA 0.374 4.478 4.120 -0.025 0.000 0.291 143 V C -0.052 175.879 176.094 -0.271 0.000 1.020 143 V CA -0.463 61.583 62.300 -0.423 0.000 0.848 143 V CB 1.532 32.825 31.823 -0.883 0.000 0.990 143 V HN 0.818 9.008 8.190 0.000 0.000 0.430 144 L N 4.593 125.779 121.223 -0.063 0.000 2.261 144 L HA 0.614 4.938 4.340 -0.025 0.000 0.289 144 L C 0.771 177.657 176.870 0.026 0.000 1.059 144 L CA 0.025 54.850 54.840 -0.026 0.000 0.816 144 L CB 0.864 42.937 42.059 0.023 0.000 1.191 144 L HN 0.841 9.071 8.230 0.000 0.000 0.431 145 G N 6.009 114.848 108.800 0.064 0.000 2.343 145 G HA2 0.641 4.586 3.960 -0.025 0.000 0.319 145 G HA3 0.641 4.586 3.960 -0.025 0.000 0.319 145 G C -0.753 174.033 174.900 -0.190 0.000 1.126 145 G CA -0.408 44.712 45.100 0.032 0.000 0.889 145 G HN 0.530 8.819 8.290 0.000 0.000 0.457 146 I N 1.600 122.046 120.570 -0.206 0.000 2.499 146 I HA 0.340 4.495 4.170 -0.025 0.000 0.288 146 I C -0.827 175.174 176.117 -0.195 0.000 1.048 146 I CA -0.669 60.495 61.300 -0.227 0.000 1.062 146 I CB 2.121 40.074 38.000 -0.078 0.000 1.238 146 I HN 0.238 8.448 8.210 0.000 0.000 0.426 147 F N 5.659 125.584 119.950 -0.041 0.000 2.370 147 F HA 0.474 4.985 4.527 -0.026 0.000 0.324 147 F C -0.088 175.672 175.800 -0.067 0.000 1.116 147 F CA -0.648 57.269 58.000 -0.139 0.000 1.123 147 F CB 0.693 39.281 39.000 -0.686 0.000 1.238 147 F HN 0.136 8.436 8.300 0.000 0.000 0.536 148 L N 2.532 123.907 121.223 0.254 0.000 2.349 148 L HA 0.414 4.739 4.340 -0.025 0.000 0.278 148 L C -0.343 176.668 176.870 0.235 0.000 0.996 148 L CA -0.684 54.285 54.840 0.215 0.000 0.825 148 L CB 1.581 43.783 42.059 0.239 0.000 1.243 148 L HN 0.603 8.833 8.230 0.000 0.000 0.412 149 K N 2.090 122.606 120.400 0.193 0.000 2.221 149 K HA 0.830 5.135 4.320 -0.025 0.000 0.243 149 K C -1.110 175.556 176.600 0.109 0.000 0.968 149 K CA -0.938 55.481 56.287 0.219 0.000 0.846 149 K CB 1.970 34.627 32.500 0.262 0.000 1.141 149 K HN 0.150 8.400 8.250 0.000 0.000 0.434 150 V N 1.692 121.652 119.914 0.077 0.000 2.385 150 V HA 0.484 4.589 4.120 -0.025 0.000 0.269 150 V C 0.485 176.596 176.094 0.029 0.000 1.043 150 V CA 0.379 62.697 62.300 0.030 0.000 0.906 150 V CB 0.063 31.894 31.823 0.013 0.000 0.995 150 V HN 1.092 9.282 8.190 0.000 0.000 0.467 151 G N 3.570 112.381 108.800 0.019 0.000 3.349 151 G HA2 0.286 4.230 3.960 -0.025 0.000 0.155 151 G HA3 0.286 4.230 3.960 -0.025 0.000 0.155 151 G C -0.284 174.622 174.900 0.010 0.000 1.219 151 G CA -0.141 44.971 45.100 0.019 0.000 1.356 151 G HN 0.543 8.833 8.290 0.000 0.000 0.687 152 S N 0.707 116.416 115.700 0.014 0.000 2.603 152 S HA 0.637 5.092 4.470 -0.025 0.000 0.268 152 S C 0.668 175.274 174.600 0.010 0.000 1.317 152 S CA 0.149 58.356 58.200 0.011 0.000 1.012 152 S CB 1.366 64.575 63.200 0.014 0.000 0.926 152 S HN 1.111 9.421 8.310 0.000 0.000 0.539 153 A N 1.365 124.190 122.820 0.007 0.000 2.386 153 A HA 0.474 4.779 4.320 -0.025 0.000 0.246 153 A C 0.192 177.791 177.584 0.024 0.000 1.089 153 A CA -0.121 51.920 52.037 0.008 0.000 0.790 153 A CB 0.024 19.029 19.000 0.007 0.000 1.042 153 A HN 0.569 8.719 8.150 0.000 0.000 0.497 154 K N 1.862 122.283 120.400 0.034 0.000 2.473 154 K HA 0.414 4.719 4.320 -0.025 0.000 0.246 154 K C -2.171 174.475 176.600 0.077 0.000 1.011 154 K CA -2.290 54.032 56.287 0.059 0.000 0.984 154 K CB 1.238 33.784 32.500 0.076 0.000 1.250 154 K HN 0.281 8.531 8.250 0.000 0.000 0.454 155 P HA -0.181 4.239 4.420 0.000 0.000 0.216 155 P C 1.094 178.462 177.300 0.113 0.000 1.157 155 P CA 1.622 64.766 63.100 0.074 0.000 0.880 155 P CB 0.090 31.821 31.700 0.051 0.000 0.791 156 G N -0.614 108.259 108.800 0.121 0.000 2.535 156 G HA2 -0.192 3.752 3.960 -0.025 0.000 0.218 156 G HA3 -0.192 3.752 3.960 -0.025 0.000 0.218 156 G C 1.390 176.495 174.900 0.343 0.000 1.122 156 G CA 0.307 45.512 45.100 0.175 0.000 0.769 156 G HN 0.280 8.570 8.290 0.000 0.000 0.549 157 L N -0.364 121.026 121.223 0.278 0.000 2.477 157 L HA 0.287 4.611 4.340 -0.025 0.000 0.220 157 L C 2.506 179.529 176.870 0.255 0.000 1.106 157 L CA 1.053 56.084 54.840 0.319 0.000 0.851 157 L CB -0.039 42.160 42.059 0.234 0.000 0.994 157 L HN 0.174 8.404 8.230 0.000 0.000 0.462 158 Q N 0.393 120.312 119.800 0.198 0.000 2.152 158 Q HA -0.254 4.070 4.340 -0.025 0.000 0.206 158 Q C 2.076 178.174 176.000 0.164 0.000 0.985 158 Q CA 1.988 57.876 55.803 0.143 0.000 0.863 158 Q CB -0.094 28.705 28.738 0.102 0.000 0.904 158 Q HN 0.492 8.762 8.270 0.000 0.000 0.422 159 K N -1.125 119.426 120.400 0.251 0.000 2.097 159 K HA -0.083 4.222 4.320 -0.025 0.000 0.206 159 K C 1.995 178.757 176.600 0.271 0.000 1.049 159 K CA 1.311 57.756 56.287 0.264 0.000 0.933 159 K CB -0.080 32.623 32.500 0.339 0.000 0.717 159 K HN 0.067 8.317 8.250 0.000 0.000 0.442 160 V N 0.944 120.988 119.914 0.216 0.000 2.295 160 V HA -0.222 3.883 4.120 -0.025 0.000 0.246 160 V C 2.244 178.250 176.094 -0.147 0.000 1.049 160 V CA 1.439 63.734 62.300 -0.007 0.000 1.024 160 V CB -0.257 31.579 31.823 0.021 0.000 0.648 160 V HN 0.088 8.278 8.190 0.000 0.000 0.447 161 V N 0.265 120.163 119.914 -0.026 0.000 2.332 161 V HA -0.279 3.826 4.120 -0.025 0.000 0.248 161 V C 2.215 178.254 176.094 -0.092 0.000 1.055 161 V CA 2.284 64.546 62.300 -0.063 0.000 1.038 161 V CB -0.673 31.166 31.823 0.026 0.000 0.651 161 V HN 0.585 8.775 8.190 0.000 0.000 0.450 162 D N -0.738 119.644 120.400 -0.029 0.000 2.310 162 D HA -0.097 4.528 4.640 -0.025 0.000 0.212 162 D C 1.817 178.083 176.300 -0.056 0.000 0.965 162 D CA 1.029 55.014 54.000 -0.025 0.000 0.879 162 D CB 0.114 40.927 40.800 0.021 0.000 0.921 162 D HN 0.398 8.768 8.370 0.000 0.000 0.510 163 V N 0.394 120.251 119.914 -0.094 0.000 3.650 163 V HA 0.038 4.142 4.120 -0.025 0.000 0.271 163 V C 2.005 177.943 176.094 -0.259 0.000 1.281 163 V CA 0.225 62.443 62.300 -0.137 0.000 1.120 163 V CB -0.097 31.677 31.823 -0.081 0.000 0.856 163 V HN 0.105 8.295 8.190 0.000 0.000 0.443 164 L N -0.333 120.689 121.223 -0.335 0.000 2.042 164 L HA -0.176 4.149 4.340 -0.025 0.000 0.210 164 L C 2.362 179.077 176.870 -0.258 0.000 1.076 164 L CA 2.022 56.612 54.840 -0.415 0.000 0.749 164 L CB -0.797 40.971 42.059 -0.486 0.000 0.893 164 L HN 0.319 8.549 8.230 0.000 0.000 0.432 165 D N -0.103 120.189 120.400 -0.181 0.000 2.172 165 D HA -0.181 4.443 4.640 -0.025 0.000 0.196 165 D C 2.223 178.457 176.300 -0.110 0.000 0.999 165 D CA 1.566 55.493 54.000 -0.122 0.000 0.856 165 D CB 0.003 40.752 40.800 -0.085 0.000 0.934 165 D HN 0.221 8.591 8.370 0.000 0.000 0.453 166 S N -0.265 115.363 115.700 -0.120 0.000 2.522 166 S HA 0.026 4.481 4.470 -0.025 0.000 0.227 166 S C 1.554 176.088 174.600 -0.111 0.000 0.986 166 S CA 0.028 58.168 58.200 -0.099 0.000 0.929 166 S CB 0.160 63.308 63.200 -0.087 0.000 0.769 166 S HN 0.463 8.773 8.310 0.000 0.000 0.529 167 I N -1.914 118.566 120.570 -0.150 0.000 3.083 167 I HA 0.455 4.610 4.170 -0.025 0.000 0.336 167 I C 0.916 176.954 176.117 -0.131 0.000 1.497 167 I CA -0.481 60.733 61.300 -0.143 0.000 0.936 167 I CB 0.360 38.244 38.000 -0.192 0.000 1.671 167 I HN -0.150 8.060 8.210 0.000 0.000 0.535 168 K N 1.613 121.949 120.400 -0.106 0.000 2.063 168 K HA -0.096 4.209 4.320 -0.025 0.000 0.208 168 K C 0.927 177.493 176.600 -0.055 0.000 1.048 168 K CA 2.048 58.284 56.287 -0.085 0.000 0.928 168 K CB 0.030 32.492 32.500 -0.063 0.000 0.713 168 K HN 0.729 8.979 8.250 0.000 0.000 0.442 169 T N -1.871 112.657 114.554 -0.044 0.000 2.950 169 T HA 0.245 4.580 4.350 -0.025 0.000 0.288 169 T C -0.566 174.120 174.700 -0.023 0.000 1.035 169 T CA -1.077 61.010 62.100 -0.022 0.000 1.028 169 T CB 1.793 70.653 68.868 -0.013 0.000 1.109 169 T HN 0.065 8.305 8.240 0.000 0.000 0.514 170 K N 0.109 120.505 120.400 -0.007 0.000 2.472 170 K HA 0.350 4.655 4.320 -0.025 0.000 0.280 170 K C 1.353 177.938 176.600 -0.026 0.000 1.028 170 K CA 1.197 57.476 56.287 -0.014 0.000 1.045 170 K CB -0.594 31.908 32.500 0.004 0.000 0.902 170 K HN 1.110 9.360 8.250 0.000 0.000 0.478 171 G N 3.153 111.930 108.800 -0.038 0.000 2.213 171 G HA2 -0.201 3.744 3.960 -0.025 0.000 0.236 171 G HA3 -0.201 3.744 3.960 -0.025 0.000 0.236 171 G C -0.235 174.639 174.900 -0.042 0.000 0.991 171 G CA -0.243 44.834 45.100 -0.038 0.000 0.629 171 G HN 0.549 8.839 8.290 0.000 0.000 0.517 172 K N 1.258 121.629 120.400 -0.048 0.000 2.202 172 K HA 0.590 4.895 4.320 -0.025 0.000 0.264 172 K C 0.437 176.996 176.600 -0.069 0.000 1.010 172 K CA 0.683 56.937 56.287 -0.056 0.000 0.940 172 K CB 1.467 33.929 32.500 -0.063 0.000 0.983 172 K HN 0.907 9.157 8.250 0.000 0.000 0.475 173 S N -1.014 114.645 115.700 -0.069 0.000 2.550 173 S HA 0.794 5.248 4.470 -0.025 0.000 0.270 173 S C -1.463 173.095 174.600 -0.070 0.000 1.145 173 S CA -1.018 57.136 58.200 -0.077 0.000 0.852 173 S CB 2.096 65.259 63.200 -0.062 0.000 1.119 173 S HN 0.663 8.973 8.310 0.000 0.000 0.465 174 A N 1.311 124.087 122.820 -0.074 0.000 2.488 174 A HA 0.679 4.984 4.320 -0.025 0.000 0.298 174 A C -1.279 176.312 177.584 0.012 0.000 1.044 174 A CA -0.793 51.221 52.037 -0.039 0.000 0.693 174 A CB 0.904 19.871 19.000 -0.055 0.000 1.272 174 A HN 0.785 8.935 8.150 0.000 0.000 0.402 175 D N 0.551 120.969 120.400 0.029 0.000 2.525 175 D HA 0.245 4.870 4.640 -0.025 0.000 0.235 175 D C -0.945 175.447 176.300 0.152 0.000 1.137 175 D CA 1.607 55.637 54.000 0.050 0.000 0.868 175 D CB 0.277 41.090 40.800 0.021 0.000 1.180 175 D HN 0.365 8.735 8.370 0.000 0.000 0.465 176 F N 1.676 121.571 119.950 -0.092 0.000 3.065 176 F HA 0.088 4.608 4.527 -0.013 0.000 0.383 176 F C -0.238 175.508 175.800 -0.089 0.000 1.259 176 F CA -0.504 57.436 58.000 -0.099 0.000 1.217 176 F CB 0.442 39.346 39.000 -0.160 0.000 2.042 176 F HN 0.153 8.453 8.300 0.000 0.000 0.641 177 T N -1.083 113.357 114.554 -0.190 0.000 2.912 177 T HA 0.379 4.714 4.350 -0.025 0.000 0.280 177 T C 0.366 174.951 174.700 -0.192 0.000 0.989 177 T CA -0.361 61.646 62.100 -0.154 0.000 0.995 177 T CB 1.304 70.126 68.868 -0.077 0.000 1.077 177 T HN 0.471 8.711 8.240 0.000 0.000 0.531 178 N N -0.808 117.832 118.700 -0.101 0.000 2.727 178 N HA -0.181 4.544 4.740 -0.025 0.000 0.249 178 N C -1.193 174.278 175.510 -0.064 0.000 1.048 178 N CA 0.442 53.452 53.050 -0.066 0.000 0.714 178 N CB -1.590 36.856 38.487 -0.068 0.000 0.959 178 N HN 0.625 9.005 8.380 0.000 0.000 0.544 179 F N 1.164 121.001 119.950 -0.190 0.000 2.415 179 F HA 0.389 4.905 4.527 -0.017 0.000 0.348 179 F C -0.059 175.812 175.800 0.119 0.000 1.119 179 F CA -1.187 56.747 58.000 -0.109 0.000 1.069 179 F CB 0.968 39.853 39.000 -0.190 0.000 1.124 179 F HN -0.054 8.246 8.300 0.000 0.000 0.472 180 D N 8.566 128.497 120.400 -0.782 0.000 2.373 180 D HA 0.295 4.920 4.640 -0.025 0.000 0.227 180 D C -1.796 174.148 176.300 -0.593 0.000 1.091 180 D CA -2.463 51.271 54.000 -0.443 0.000 0.840 180 D CB 1.846 42.483 40.800 -0.272 0.000 1.060 180 D HN 0.285 8.655 8.370 0.000 0.000 0.502 181 P HA -0.073 4.347 4.420 0.000 0.000 0.225 181 P C 1.122 178.442 177.300 0.033 0.000 1.148 181 P CA 0.449 63.565 63.100 0.027 0.000 0.779 181 P CB 0.394 32.076 31.700 -0.030 0.000 0.780 182 R N -0.155 120.380 120.500 0.057 0.000 2.170 182 R HA -0.079 4.245 4.340 -0.025 0.000 0.242 182 R C 2.448 178.754 176.300 0.010 0.000 1.145 182 R CA 1.450 57.590 56.100 0.067 0.000 0.984 182 R CB -1.169 29.156 30.300 0.042 0.000 0.869 182 R HN 0.259 8.529 8.270 0.000 0.000 0.455 183 G N 0.180 108.954 108.800 -0.043 0.000 2.679 183 G HA2 -0.100 3.845 3.960 -0.025 0.000 0.212 183 G HA3 -0.100 3.845 3.960 -0.025 0.000 0.212 183 G C 1.125 176.057 174.900 0.053 0.000 1.137 183 G CA 0.157 45.250 45.100 -0.012 0.000 0.787 183 G HN 0.191 8.481 8.290 0.000 0.000 0.534 184 L N 0.007 121.264 121.223 0.057 0.000 2.693 184 L HA 0.402 4.726 4.340 -0.025 0.000 0.235 184 L C 0.409 177.302 176.870 0.038 0.000 1.127 184 L CA -0.221 54.661 54.840 0.070 0.000 0.914 184 L CB 0.108 42.187 42.059 0.033 0.000 1.193 184 L HN 0.037 8.267 8.230 0.000 0.000 0.502 185 L N 1.688 122.928 121.223 0.028 0.000 2.350 185 L HA 0.367 4.692 4.340 -0.025 0.000 0.275 185 L C -1.765 175.106 176.870 0.001 0.000 1.099 185 L CA -1.815 53.029 54.840 0.007 0.000 0.808 185 L CB 0.746 42.804 42.059 -0.001 0.000 1.149 185 L HN -0.128 8.102 8.230 0.000 0.000 0.442 186 P HA 0.037 4.457 4.420 0.000 0.000 0.286 186 P C 0.137 177.421 177.300 -0.027 0.000 1.293 186 P CA -0.394 62.697 63.100 -0.015 0.000 0.770 186 P CB 0.804 32.490 31.700 -0.025 0.000 1.206 187 E N -0.547 119.634 120.200 -0.031 0.000 2.086 187 E HA -0.032 4.303 4.350 -0.025 0.000 0.190 187 E C 0.396 176.965 176.600 -0.052 0.000 0.975 187 E CA 0.269 56.647 56.400 -0.037 0.000 0.813 187 E CB 0.016 29.697 29.700 -0.031 0.000 0.768 187 E HN 0.320 8.680 8.360 0.000 0.000 0.457 188 S N 0.042 115.700 115.700 -0.069 0.000 2.525 188 S HA 0.277 4.731 4.470 -0.025 0.000 0.278 188 S C 0.478 175.023 174.600 -0.091 0.000 1.234 188 S CA -0.657 57.487 58.200 -0.094 0.000 1.058 188 S CB 0.988 64.104 63.200 -0.141 0.000 0.983 188 S HN 0.336 8.646 8.310 0.000 0.000 0.495 189 L N 2.984 124.163 121.223 -0.073 0.000 2.741 189 L HA 0.298 4.623 4.340 -0.025 0.000 0.237 189 L C -0.138 176.749 176.870 0.030 0.000 1.178 189 L CA -0.239 54.581 54.840 -0.033 0.000 0.973 189 L CB -0.114 41.925 42.059 -0.034 0.000 1.255 189 L HN 0.529 8.759 8.230 0.000 0.000 0.498 190 D N 1.236 121.575 120.400 -0.102 0.000 2.414 190 D HA 0.244 4.869 4.640 -0.025 0.000 0.242 190 D C -0.438 175.770 176.300 -0.153 0.000 1.129 190 D CA 0.670 54.539 54.000 -0.217 0.000 0.885 190 D CB 0.758 41.201 40.800 -0.595 0.000 1.198 190 D HN 0.121 8.491 8.370 0.000 0.000 0.437 191 Y N -1.234 118.990 120.300 -0.126 0.000 2.670 191 Y HA 0.616 5.151 4.550 -0.025 0.000 0.334 191 Y C -1.557 174.347 175.900 0.007 0.000 1.185 191 Y CA -1.465 56.578 58.100 -0.095 0.000 1.053 191 Y CB 1.061 39.510 38.460 -0.018 0.000 1.298 191 Y HN 0.221 8.501 8.280 0.000 0.000 0.459 192 W N 1.201 122.735 121.300 0.390 0.000 2.573 192 W HA 0.612 5.256 4.660 -0.027 0.000 0.326 192 W C -0.744 176.014 176.519 0.399 0.000 1.049 192 W CA -0.754 56.765 57.345 0.290 0.000 1.220 192 W CB 2.292 31.902 29.460 0.251 0.000 1.373 192 W HN 0.734 8.914 8.180 0.000 0.000 0.507 193 T N 3.086 117.986 114.554 0.578 0.000 2.909 193 T HA 0.688 5.023 4.350 -0.025 0.000 0.299 193 T C -1.636 173.325 174.700 0.434 0.000 1.073 193 T CA -0.211 62.157 62.100 0.447 0.000 0.999 193 T CB 1.492 70.584 68.868 0.374 0.000 1.098 193 T HN 0.332 8.572 8.240 0.000 0.000 0.477 194 Y N 1.719 122.163 120.300 0.239 0.000 2.641 194 Y HA 0.747 5.281 4.550 -0.026 0.000 0.333 194 Y C -3.294 172.747 175.900 0.235 0.000 1.174 194 Y CA -2.595 55.625 58.100 0.200 0.000 1.057 194 Y CB 0.704 39.266 38.460 0.170 0.000 1.322 194 Y HN 0.405 8.685 8.280 0.000 0.000 0.457 195 P HA 0.500 4.920 4.420 0.000 0.000 0.287 195 P C -0.365 177.058 177.300 0.204 0.000 1.307 195 P CA 0.371 63.538 63.100 0.113 0.000 0.777 195 P CB 1.528 33.314 31.700 0.143 0.000 0.883 196 G N 1.656 110.555 108.800 0.166 0.000 3.107 196 G HA2 0.681 4.625 3.960 -0.025 0.000 0.233 196 G HA3 0.681 4.625 3.960 -0.025 0.000 0.233 196 G C -0.929 174.178 174.900 0.344 0.000 1.168 196 G CA -0.415 44.911 45.100 0.376 0.000 0.801 196 G HN 0.595 8.885 8.290 0.000 0.000 0.605 197 S N -1.615 114.368 115.700 0.473 0.000 2.732 197 S HA 0.718 5.173 4.470 -0.025 0.000 0.293 197 S C -0.498 174.376 174.600 0.458 0.000 1.159 197 S CA -0.748 57.661 58.200 0.348 0.000 0.847 197 S CB 0.890 64.227 63.200 0.228 0.000 1.169 197 S HN 0.591 8.901 8.310 0.000 0.000 0.501 198 L N 1.332 122.709 121.223 0.257 0.000 2.467 198 L HA 0.289 4.614 4.340 -0.025 0.000 0.270 198 L C 1.619 178.648 176.870 0.265 0.000 1.205 198 L CA 0.102 55.100 54.840 0.264 0.000 0.828 198 L CB 0.692 42.826 42.059 0.126 0.000 1.101 198 L HN 1.082 9.312 8.230 0.000 0.000 0.479 199 T N -3.803 110.935 114.554 0.307 0.000 3.105 199 T HA 0.111 4.446 4.350 -0.025 0.000 0.253 199 T C 0.399 175.215 174.700 0.194 0.000 1.047 199 T CA 0.075 62.322 62.100 0.246 0.000 0.944 199 T CB -0.220 68.789 68.868 0.234 0.000 1.016 199 T HN 0.729 8.969 8.240 0.000 0.000 0.544 200 T N -0.935 113.583 114.554 -0.060 0.000 2.903 200 T HA 0.643 4.978 4.350 -0.025 0.000 0.299 200 T C -3.438 170.733 174.700 -0.882 0.000 1.093 200 T CA -2.317 59.408 62.100 -0.625 0.000 1.002 200 T CB 1.823 70.411 68.868 -0.466 0.000 1.127 200 T HN -0.234 8.006 8.240 0.000 0.000 0.488 201 P HA 0.116 4.536 4.420 0.000 0.000 0.266 201 P C -1.608 175.089 177.300 -1.005 0.000 1.186 201 P CA -0.969 61.113 63.100 -1.696 0.000 0.767 201 P CB 0.020 29.959 31.700 -2.935 0.000 0.820 202 P HA 0.047 4.467 4.420 0.000 0.000 0.258 202 P C 0.070 177.161 177.300 -0.349 0.000 1.319 202 P CA 0.193 62.915 63.100 -0.629 0.000 0.785 202 P CB -0.243 31.345 31.700 -0.187 0.000 1.252 203 L N -2.288 118.738 121.223 -0.328 0.000 3.851 203 L HA -0.213 4.111 4.340 -0.025 0.000 0.438 203 L C 0.408 177.268 176.870 -0.016 0.000 1.171 203 L CA 0.184 54.953 54.840 -0.118 0.000 0.895 203 L CB -2.247 39.760 42.059 -0.086 0.000 1.800 203 L HN 0.121 8.351 8.230 0.000 0.000 0.960 204 L N 0.649 121.856 121.223 -0.027 0.000 2.499 204 L HA 0.018 4.343 4.340 -0.025 0.000 0.273 204 L C 1.254 178.145 176.870 0.034 0.000 1.195 204 L CA 0.386 55.222 54.840 -0.005 0.000 0.882 204 L CB 0.127 42.162 42.059 -0.041 0.000 1.133 204 L HN 0.185 8.415 8.230 0.000 0.000 0.483 205 E N 2.979 123.204 120.200 0.042 0.000 2.110 205 E HA 0.070 4.405 4.350 -0.025 0.000 0.300 205 E C 0.227 176.854 176.600 0.045 0.000 1.278 205 E CA -0.224 56.218 56.400 0.071 0.000 1.365 205 E CB 0.070 29.816 29.700 0.076 0.000 1.283 205 E HN 0.752 9.112 8.360 0.000 0.000 0.490 206 C N -1.236 118.083 119.300 0.031 0.000 3.240 206 C HA 0.436 4.881 4.460 -0.025 0.000 0.271 206 C C 0.311 175.305 174.990 0.007 0.000 1.534 206 C CA -0.642 58.377 59.018 0.002 0.000 1.796 206 C CB -0.973 26.734 27.740 -0.055 0.000 2.892 206 C HN 0.132 8.362 8.230 0.000 0.000 0.566 207 V N 1.356 121.269 119.914 -0.002 0.000 2.628 207 V HA 0.532 4.637 4.120 -0.025 0.000 0.306 207 V C -0.002 176.003 176.094 -0.149 0.000 1.045 207 V CA 0.170 62.391 62.300 -0.132 0.000 0.905 207 V CB 1.937 33.574 31.823 -0.310 0.000 0.997 207 V HN 0.392 8.582 8.190 0.000 0.000 0.436 208 T N 3.882 118.297 114.554 -0.230 0.000 2.929 208 T HA 0.304 4.639 4.350 -0.025 0.000 0.331 208 T C -0.542 173.970 174.700 -0.313 0.000 1.120 208 T CA -0.104 61.876 62.100 -0.201 0.000 0.973 208 T CB -0.052 68.707 68.868 -0.182 0.000 1.036 208 T HN 0.548 8.788 8.240 0.000 0.000 0.502 209 W N 3.504 124.594 121.300 -0.350 0.000 2.238 209 W HA 0.486 5.128 4.660 -0.029 0.000 0.321 209 W C 0.144 176.541 176.519 -0.204 0.000 1.293 209 W CA -0.707 56.438 57.345 -0.333 0.000 1.204 209 W CB 0.399 29.489 29.460 -0.616 0.000 1.167 209 W HN 0.460 8.640 8.180 0.000 0.000 0.553 210 I N 4.741 125.358 120.570 0.079 0.000 2.495 210 I HA 0.178 4.333 4.170 -0.025 0.000 0.277 210 I C -0.805 175.376 176.117 0.106 0.000 1.045 210 I CA -0.787 60.525 61.300 0.020 0.000 1.135 210 I CB 0.660 38.499 38.000 -0.268 0.000 1.241 210 I HN -0.076 8.134 8.210 0.000 0.000 0.469 211 V N 6.741 126.790 119.914 0.225 0.000 2.350 211 V HA 0.358 4.463 4.120 -0.025 0.000 0.276 211 V C 0.413 176.635 176.094 0.213 0.000 1.028 211 V CA -0.600 61.785 62.300 0.141 0.000 0.860 211 V CB 1.548 33.460 31.823 0.148 0.000 0.990 211 V HN 0.494 8.684 8.190 0.000 0.000 0.453 212 L N 4.487 125.720 121.223 0.017 0.000 2.416 212 L HA 0.250 4.575 4.340 -0.025 0.000 0.272 212 L C 1.691 178.585 176.870 0.039 0.000 1.161 212 L CA 0.009 54.847 54.840 -0.004 0.000 0.845 212 L CB 0.542 42.567 42.059 -0.057 0.000 1.119 212 L HN 0.721 8.951 8.230 0.000 0.000 0.464 213 K N 2.547 122.839 120.400 -0.180 0.000 2.057 213 K HA -0.100 4.204 4.320 -0.025 0.000 0.206 213 K C 0.689 177.277 176.600 -0.019 0.000 1.050 213 K CA 1.009 57.115 56.287 -0.302 0.000 0.935 213 K CB 0.229 32.201 32.500 -0.881 0.000 0.715 213 K HN 0.625 8.875 8.250 0.000 0.000 0.439 214 E N 1.996 122.146 120.200 -0.085 0.000 2.152 214 E HA 0.164 4.498 4.350 -0.025 0.000 0.285 214 E C -2.443 174.169 176.600 0.020 0.000 1.043 214 E CA -2.637 53.745 56.400 -0.030 0.000 0.839 214 E CB 1.105 30.760 29.700 -0.075 0.000 1.069 214 E HN 0.095 8.455 8.360 0.000 0.000 0.399 215 P HA 0.209 4.629 4.420 0.000 0.000 0.279 215 P C -0.536 176.791 177.300 0.044 0.000 1.252 215 P CA -0.322 62.799 63.100 0.034 0.000 0.811 215 P CB 0.624 32.311 31.700 -0.023 0.000 1.035 216 I N -1.873 118.732 120.570 0.059 0.000 2.607 216 I HA 0.695 4.850 4.170 -0.025 0.000 0.305 216 I C -0.281 175.884 176.117 0.080 0.000 0.995 216 I CA -0.884 60.455 61.300 0.065 0.000 1.148 216 I CB 2.105 40.149 38.000 0.073 0.000 1.323 216 I HN 0.245 8.455 8.210 0.000 0.000 0.461 217 S N 4.962 120.701 115.700 0.066 0.000 2.472 217 S HA 0.793 5.247 4.470 -0.025 0.000 0.303 217 S C -0.368 174.257 174.600 0.042 0.000 1.099 217 S CA -0.541 57.695 58.200 0.060 0.000 1.077 217 S CB 1.551 64.781 63.200 0.051 0.000 1.031 217 S HN 0.989 9.299 8.310 0.000 0.000 0.487 218 V N 0.434 120.361 119.914 0.020 0.000 2.864 218 V HA 0.896 5.001 4.120 -0.025 0.000 0.314 218 V C 0.139 176.212 176.094 -0.035 0.000 1.073 218 V CA -0.728 61.561 62.300 -0.019 0.000 0.956 218 V CB 1.269 33.044 31.823 -0.080 0.000 1.023 218 V HN 1.157 9.347 8.190 0.000 0.000 0.435 219 S N 1.452 117.125 115.700 -0.045 0.000 2.614 219 S HA 0.264 4.719 4.470 -0.025 0.000 0.265 219 S C 1.399 175.956 174.600 -0.072 0.000 1.303 219 S CA 0.404 58.579 58.200 -0.041 0.000 1.000 219 S CB 1.206 64.388 63.200 -0.030 0.000 0.935 219 S HN 1.427 9.737 8.310 0.000 0.000 0.551 220 S N 1.119 116.788 115.700 -0.052 0.000 2.374 220 S HA -0.176 4.279 4.470 -0.025 0.000 0.227 220 S C 1.832 176.387 174.600 -0.075 0.000 1.037 220 S CA 1.716 59.883 58.200 -0.055 0.000 1.024 220 S CB -0.787 62.395 63.200 -0.029 0.000 0.861 220 S HN 0.829 9.139 8.310 0.000 0.000 0.456 221 E N 0.953 121.114 120.200 -0.064 0.000 2.208 221 E HA -0.121 4.213 4.350 -0.025 0.000 0.193 221 E C 2.032 178.574 176.600 -0.097 0.000 0.988 221 E CA 0.748 57.109 56.400 -0.064 0.000 0.828 221 E CB -0.715 28.961 29.700 -0.040 0.000 0.763 221 E HN 0.677 9.037 8.360 0.000 0.000 0.478 222 Q N 0.721 120.442 119.800 -0.131 0.000 2.016 222 Q HA -0.044 4.280 4.340 -0.025 0.000 0.200 222 Q C 2.458 178.232 176.000 -0.377 0.000 0.978 222 Q CA 1.422 57.113 55.803 -0.187 0.000 0.833 222 Q CB -0.037 28.591 28.738 -0.182 0.000 0.895 222 Q HN 0.121 8.391 8.270 0.000 0.000 0.427 223 V N 1.352 120.993 119.914 -0.456 0.000 2.407 223 V HA -0.258 3.847 4.120 -0.025 0.000 0.248 223 V C 2.193 178.088 176.094 -0.333 0.000 1.055 223 V CA 1.429 63.366 62.300 -0.604 0.000 1.049 223 V CB -0.454 31.160 31.823 -0.349 0.000 0.662 223 V HN 0.372 8.562 8.190 0.000 0.000 0.455 224 L N -0.623 120.494 121.223 -0.177 0.000 2.083 224 L HA -0.219 4.106 4.340 -0.025 0.000 0.209 224 L C 2.545 179.380 176.870 -0.059 0.000 1.083 224 L CA 1.671 56.462 54.840 -0.081 0.000 0.752 224 L CB -0.501 41.528 42.059 -0.050 0.000 0.899 224 L HN 0.306 8.536 8.230 0.000 0.000 0.433 225 K N -0.900 119.459 120.400 -0.069 0.000 2.211 225 K HA -0.146 4.159 4.320 -0.025 0.000 0.203 225 K C 1.955 178.536 176.600 -0.032 0.000 1.050 225 K CA 1.070 57.332 56.287 -0.042 0.000 0.945 225 K CB -0.058 32.418 32.500 -0.041 0.000 0.732 225 K HN 0.074 8.324 8.250 0.000 0.000 0.451 226 F N 1.196 120.899 119.950 -0.410 0.000 2.146 226 F HA -0.082 4.438 4.527 -0.012 0.000 0.298 226 F C 1.970 177.527 175.800 -0.405 0.000 1.096 226 F CA 1.143 58.712 58.000 -0.718 0.000 1.275 226 F CB -0.381 37.866 39.000 -1.254 0.000 1.008 226 F HN -0.112 8.188 8.300 0.000 0.000 0.480 227 R N 0.050 120.565 120.500 0.024 0.000 2.328 227 R HA -0.095 4.230 4.340 -0.025 0.000 0.207 227 R C 1.443 177.817 176.300 0.125 0.000 1.056 227 R CA 0.691 56.913 56.100 0.203 0.000 1.016 227 R CB -0.207 30.192 30.300 0.165 0.000 0.872 227 R HN 0.249 8.519 8.270 0.000 0.000 0.471 228 K N -0.319 120.109 120.400 0.046 0.000 2.374 228 K HA 0.088 4.393 4.320 -0.025 0.000 0.196 228 K C -0.172 176.421 176.600 -0.012 0.000 1.023 228 K CA -0.202 56.090 56.287 0.009 0.000 1.103 228 K CB 0.418 32.905 32.500 -0.022 0.000 0.848 228 K HN -0.078 8.172 8.250 0.000 0.000 0.528 229 L N 1.243 122.469 121.223 0.006 0.000 2.475 229 L HA 0.113 4.438 4.340 -0.025 0.000 0.253 229 L C -0.145 176.697 176.870 -0.047 0.000 1.198 229 L CA 0.420 55.250 54.840 -0.016 0.000 0.814 229 L CB 0.451 42.541 42.059 0.052 0.000 1.134 229 L HN 0.087 8.317 8.230 0.000 0.000 0.478 230 N N 0.288 118.951 118.700 -0.062 0.000 2.296 230 N HA 0.260 4.985 4.740 -0.025 0.000 0.294 230 N C -0.001 175.492 175.510 -0.028 0.000 1.033 230 N CA -0.591 52.428 53.050 -0.053 0.000 0.839 230 N CB 1.537 40.025 38.487 0.003 0.000 1.395 230 N HN 0.317 8.697 8.380 0.000 0.000 0.479 231 F N 0.840 120.819 119.950 0.048 0.000 2.163 231 F HA -0.082 4.408 4.527 -0.062 0.000 0.297 231 F C 1.773 177.571 175.800 -0.004 0.000 1.094 231 F CA 0.478 58.492 58.000 0.024 0.000 1.290 231 F CB -0.321 38.698 39.000 0.032 0.000 1.017 231 F HN 0.516 8.816 8.300 0.000 0.000 0.483 232 N N 1.089 119.913 118.700 0.208 0.000 2.381 232 N HA 0.072 4.797 4.740 -0.025 0.000 0.241 232 N C 0.403 175.945 175.510 0.054 0.000 1.279 232 N CA 0.525 53.636 53.050 0.102 0.000 0.896 232 N CB 0.566 39.104 38.487 0.085 0.000 1.118 232 N HN 0.142 8.522 8.380 0.000 0.000 0.438 233 G N -0.558 108.259 108.800 0.029 0.000 2.537 233 G HA2 0.124 4.069 3.960 -0.025 0.000 0.273 233 G HA3 0.124 4.069 3.960 -0.025 0.000 0.273 233 G C -0.460 174.445 174.900 0.008 0.000 1.189 233 G CA -0.611 44.494 45.100 0.009 0.000 0.881 233 G HN 0.778 9.068 8.290 0.000 0.000 0.535 234 E N -0.408 119.791 120.200 -0.002 0.000 2.366 234 E HA 0.373 4.708 4.350 -0.025 0.000 0.266 234 E C 1.166 177.766 176.600 -0.001 0.000 1.015 234 E CA 0.795 57.193 56.400 -0.003 0.000 0.906 234 E CB -0.001 29.693 29.700 -0.010 0.000 0.979 234 E HN 1.023 9.383 8.360 0.000 0.000 0.443 235 G N 3.674 112.475 108.800 0.001 0.000 2.163 235 G HA2 -0.221 3.724 3.960 -0.025 0.000 0.213 235 G HA3 -0.221 3.724 3.960 -0.025 0.000 0.213 235 G C -0.172 174.731 174.900 0.005 0.000 0.991 235 G CA 0.147 45.248 45.100 0.001 0.000 0.653 235 G HN 0.579 8.869 8.290 0.000 0.000 0.518 236 E N 0.778 120.984 120.200 0.010 0.000 2.264 236 E HA 0.557 4.891 4.350 -0.025 0.000 0.260 236 E C -2.376 174.237 176.600 0.021 0.000 0.961 236 E CA -2.161 54.248 56.400 0.014 0.000 0.834 236 E CB 1.432 31.142 29.700 0.017 0.000 1.230 236 E HN 0.114 8.474 8.360 0.000 0.000 0.412 237 P HA -0.065 4.355 4.420 0.000 0.000 0.267 237 P C -0.819 176.508 177.300 0.044 0.000 1.200 237 P CA 0.271 63.389 63.100 0.031 0.000 0.772 237 P CB 0.466 32.184 31.700 0.030 0.000 0.855 238 E N 1.320 121.548 120.200 0.046 0.000 2.130 238 E HA 0.102 4.437 4.350 -0.025 0.000 0.284 238 E C -0.567 176.083 176.600 0.083 0.000 1.018 238 E CA -0.330 56.104 56.400 0.057 0.000 0.817 238 E CB 0.402 30.127 29.700 0.041 0.000 1.078 238 E HN 0.360 8.720 8.360 0.000 0.000 0.396 239 E N 5.928 126.198 120.200 0.117 0.000 2.141 239 E HA 0.191 4.526 4.350 -0.025 0.000 0.259 239 E C -0.664 176.035 176.600 0.165 0.000 0.883 239 E CA -0.608 55.907 56.400 0.193 0.000 0.744 239 E CB 0.731 30.602 29.700 0.284 0.000 1.150 239 E HN 0.583 8.943 8.360 0.000 0.000 0.420 240 L N 4.346 125.632 121.223 0.106 0.000 2.490 240 L HA 0.086 4.410 4.340 -0.025 0.000 0.274 240 L C 0.881 177.606 176.870 -0.242 0.000 1.201 240 L CA 0.453 55.292 54.840 -0.002 0.000 0.869 240 L CB 0.351 42.445 42.059 0.060 0.000 1.123 240 L HN 0.582 8.812 8.230 0.000 0.000 0.484 241 M N 6.142 125.463 119.600 -0.465 0.000 2.383 241 M HA 0.335 4.800 4.480 -0.025 0.000 0.337 241 M C -0.830 175.282 176.300 -0.315 0.000 1.422 241 M CA -0.357 54.276 55.300 -1.112 0.000 1.333 241 M CB -0.012 32.136 32.600 -0.754 0.000 1.488 241 M HN 0.460 8.750 8.290 0.000 0.000 0.454 242 V N 1.586 121.364 119.914 -0.227 0.000 2.971 242 V HA 0.544 4.649 4.120 -0.025 0.000 0.309 242 V C -0.544 175.560 176.094 0.017 0.000 1.130 242 V CA -0.906 61.413 62.300 0.032 0.000 0.964 242 V CB 1.942 33.880 31.823 0.192 0.000 1.029 242 V HN 0.792 8.982 8.190 0.000 0.000 0.427 243 D N 2.794 123.221 120.400 0.045 0.000 2.705 243 D HA -0.150 4.474 4.640 -0.025 0.000 0.240 243 D C 0.172 176.226 176.300 -0.411 0.000 1.137 243 D CA 1.380 55.392 54.000 0.020 0.000 0.677 243 D CB -0.824 39.987 40.800 0.019 0.000 1.049 243 D HN 1.083 9.453 8.370 0.000 0.000 0.427 244 N N 0.383 118.796 118.700 -0.479 0.000 2.994 244 N HA 0.093 4.818 4.740 -0.025 0.000 0.306 244 N C -0.139 175.056 175.510 -0.525 0.000 1.348 244 N CA -0.606 51.751 53.050 -1.155 0.000 1.109 244 N CB -0.346 37.689 38.487 -0.754 0.000 1.415 244 N HN 0.452 8.832 8.380 0.000 0.000 0.529 245 W N -0.554 120.624 121.300 -0.203 0.000 2.844 245 W HA 0.539 5.184 4.660 -0.026 0.000 0.340 245 W C -0.573 176.072 176.519 0.210 0.000 1.093 245 W CA -1.056 56.333 57.345 0.073 0.000 1.212 245 W CB 0.816 30.309 29.460 0.056 0.000 1.422 245 W HN -0.120 8.060 8.180 0.000 0.000 0.515 246 R N 2.924 123.656 120.500 0.386 0.000 2.368 246 R HA 0.441 4.766 4.340 -0.025 0.000 0.302 246 R C -2.331 174.114 176.300 0.242 0.000 1.002 246 R CA -1.448 54.758 56.100 0.177 0.000 0.929 246 R CB 1.214 31.590 30.300 0.127 0.000 1.073 246 R HN 0.087 8.357 8.270 0.000 0.000 0.464 247 P HA 0.031 4.451 4.420 0.000 0.000 0.269 247 P C -1.060 176.262 177.300 0.036 0.000 1.215 247 P CA -0.142 63.062 63.100 0.173 0.000 0.780 247 P CB 0.792 32.540 31.700 0.081 0.000 0.898 248 A N 2.791 125.618 122.820 0.013 0.000 2.565 248 A HA 0.091 4.396 4.320 -0.025 0.000 0.237 248 A C 0.288 177.834 177.584 -0.064 0.000 1.053 248 A CA 0.319 52.319 52.037 -0.061 0.000 0.755 248 A CB -0.380 18.579 19.000 -0.068 0.000 0.980 248 A HN 0.423 8.573 8.150 0.000 0.000 0.506 249 Q N 1.099 120.850 119.800 -0.082 0.000 2.306 249 Q HA 0.506 4.830 4.340 -0.025 0.000 0.269 249 Q C -2.555 173.406 176.000 -0.065 0.000 1.053 249 Q CA -2.087 53.680 55.803 -0.060 0.000 0.879 249 Q CB 0.270 28.987 28.738 -0.035 0.000 1.344 249 Q HN 0.516 8.786 8.270 0.000 0.000 0.464 250 P HA 0.015 4.435 4.420 0.000 0.000 0.267 250 P C 0.531 177.806 177.300 -0.041 0.000 1.205 250 P CA -0.163 62.910 63.100 -0.044 0.000 0.765 250 P CB 0.490 32.171 31.700 -0.032 0.000 0.828 251 L N 3.732 124.920 121.223 -0.057 0.000 2.056 251 L HA -0.070 4.255 4.340 -0.025 0.000 0.207 251 L C 0.639 177.501 176.870 -0.012 0.000 1.078 251 L CA 1.483 56.288 54.840 -0.058 0.000 0.749 251 L CB -0.944 41.062 42.059 -0.088 0.000 0.901 251 L HN 0.437 8.667 8.230 0.000 0.000 0.433 252 K N 1.160 121.554 120.400 -0.011 0.000 3.393 252 K HA -0.308 3.997 4.320 -0.025 0.000 0.272 252 K C 0.654 177.264 176.600 0.016 0.000 1.004 252 K CA 0.643 56.932 56.287 0.005 0.000 0.764 252 K CB -2.008 30.502 32.500 0.016 0.000 1.373 252 K HN 0.895 9.145 8.250 0.000 0.000 0.458 253 N N -2.527 116.179 118.700 0.010 0.000 2.723 253 N HA -0.280 4.445 4.740 -0.025 0.000 0.203 253 N C -0.210 175.317 175.510 0.029 0.000 1.197 253 N CA 1.128 54.189 53.050 0.018 0.000 1.848 253 N CB -0.910 37.591 38.487 0.023 0.000 0.911 253 N HN 0.397 8.777 8.380 0.000 0.000 0.520 254 R N 2.085 122.610 120.500 0.041 0.000 2.678 254 R HA 0.017 4.342 4.340 -0.025 0.000 0.264 254 R C 0.111 176.441 176.300 0.051 0.000 0.995 254 R CA 0.887 57.028 56.100 0.069 0.000 1.098 254 R CB 0.225 30.589 30.300 0.105 0.000 0.949 254 R HN 0.417 8.687 8.270 0.000 0.000 0.422 255 Q N 2.101 121.947 119.800 0.076 0.000 2.337 255 Q HA 0.379 4.704 4.340 -0.025 0.000 0.266 255 Q C -1.130 174.932 176.000 0.103 0.000 1.023 255 Q CA -0.719 55.122 55.803 0.064 0.000 0.829 255 Q CB 1.424 30.197 28.738 0.057 0.000 1.306 255 Q HN 0.482 8.752 8.270 0.000 0.000 0.449 256 I N 3.498 124.110 120.570 0.069 0.000 2.339 256 I HA 0.328 4.483 4.170 -0.025 0.000 0.290 256 I C -0.427 175.769 176.117 0.132 0.000 0.994 256 I CA -0.462 60.913 61.300 0.125 0.000 1.191 256 I CB 1.395 39.408 38.000 0.021 0.000 1.343 256 I HN 0.368 8.578 8.210 0.000 0.000 0.458 257 K N 4.751 125.256 120.400 0.175 0.000 2.098 257 K HA 0.836 5.141 4.320 -0.025 0.000 0.258 257 K C -0.565 176.124 176.600 0.148 0.000 0.973 257 K CA -0.660 55.694 56.287 0.113 0.000 0.898 257 K CB 1.924 34.458 32.500 0.058 0.000 1.057 257 K HN 0.653 8.903 8.250 0.000 0.000 0.447 258 A N 0.433 123.252 122.820 -0.003 0.000 2.355 258 A HA 0.342 4.647 4.320 -0.025 0.000 0.324 258 A C 0.450 177.837 177.584 -0.328 0.000 1.117 258 A CA -0.672 51.254 52.037 -0.186 0.000 0.785 258 A CB 1.211 19.951 19.000 -0.433 0.000 1.254 258 A HN 0.751 8.901 8.150 0.000 0.000 0.453 259 S N 0.138 115.579 115.700 -0.431 0.000 2.575 259 S HA 0.381 4.836 4.470 -0.025 0.000 0.215 259 S C 0.169 174.829 174.600 0.100 0.000 0.966 259 S CA 0.276 58.248 58.200 -0.381 0.000 0.911 259 S CB -0.776 61.873 63.200 -0.918 0.000 0.780 259 S HN 1.171 9.481 8.310 0.000 0.000 0.514 260 F N 0.000 119.960 119.950 0.017 0.000 2.286 260 F HA 0.000 4.511 4.527 -0.026 0.000 0.279 260 F CA 0.000 58.022 58.000 0.036 0.000 1.383 260 F CB 0.000 38.917 39.000 -0.139 0.000 1.145 260 F HN 0.000 8.300 8.300 0.000 0.000 0.574