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 3i9g_1_H DATA FIRST_RESID 1 DATA SEQUENCE EVQLVQSGAE VKKPGESLKI ScQSFGYIFI DHTIHWMRQM PGQGLEWMGA DATA SEQUENCE IPRHDITKYN EMFRGQVTIS ADKSSSTAYL QLKASDTAMY FcARGGFYGF DATA SEQUENCE DFWGQGTMVT VSSASTKGPS VFPLAPSSKS TSGGTAALGc LVKDYFPEPV DATA SEQUENCE TVSWNSGALT SGVHTFPAVL QSSGLYSLSS VVTVPSSSLG TQTYIcNVNH DATA SEQUENCE KPSNTKVDKR VEPK 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 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1 E C 0.000 176.570 176.600 -0.050 0.000 1.382 1 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 1 E CB 0.000 29.706 29.700 0.010 0.000 0.812 2 V N 2.171 121.951 119.914 -0.224 0.000 2.529 2 V HA 0.107 4.224 4.120 -0.005 0.000 0.292 2 V C -0.040 175.947 176.094 -0.179 0.000 1.028 2 V CA 0.781 62.861 62.300 -0.367 0.000 1.074 2 V CB 0.421 31.449 31.823 -1.325 0.000 0.958 2 V HN 0.366 8.556 8.190 0.000 0.000 0.481 3 Q N 4.528 124.360 119.800 0.052 0.000 2.331 3 Q HA 0.604 4.941 4.340 -0.005 0.000 0.272 3 Q C -1.701 174.447 176.000 0.247 0.000 1.062 3 Q CA -0.934 54.955 55.803 0.143 0.000 0.806 3 Q CB 2.691 31.505 28.738 0.127 0.000 1.312 3 Q HN 0.474 8.744 8.270 0.000 0.000 0.431 4 L N 2.171 123.521 121.223 0.213 0.000 2.305 4 L HA 0.474 4.811 4.340 -0.005 0.000 0.284 4 L C -0.929 176.055 176.870 0.190 0.000 1.013 4 L CA -0.494 54.459 54.840 0.188 0.000 0.819 4 L CB 1.914 44.053 42.059 0.134 0.000 1.227 4 L HN 0.405 8.635 8.230 0.000 0.000 0.417 5 V N 3.731 123.771 119.914 0.211 0.000 2.378 5 V HA 0.469 4.585 4.120 -0.005 0.000 0.288 5 V C -0.008 176.170 176.094 0.140 0.000 1.016 5 V CA -0.805 61.610 62.300 0.192 0.000 0.840 5 V CB 1.364 33.341 31.823 0.256 0.000 0.994 5 V HN 0.704 8.894 8.190 0.000 0.000 0.431 6 Q N 1.939 121.817 119.800 0.131 0.000 2.205 6 Q HA 0.540 4.877 4.340 -0.005 0.000 0.249 6 Q C 0.320 176.389 176.000 0.115 0.000 0.948 6 Q CA -0.536 55.348 55.803 0.136 0.000 0.895 6 Q CB 1.897 30.733 28.738 0.164 0.000 1.249 6 Q HN 0.886 9.156 8.270 0.000 0.000 0.458 7 S N -0.156 115.615 115.700 0.118 0.000 2.624 7 S HA 0.466 4.933 4.470 -0.005 0.000 0.263 7 S C 0.475 175.118 174.600 0.071 0.000 1.287 7 S CA -0.574 57.679 58.200 0.089 0.000 0.990 7 S CB 0.743 63.997 63.200 0.091 0.000 0.950 7 S HN 0.699 9.009 8.310 0.000 0.000 0.561 8 G N -0.288 108.541 108.800 0.049 0.000 2.616 8 G HA2 0.519 4.476 3.960 -0.005 0.000 0.268 8 G HA3 0.519 4.476 3.960 -0.005 0.000 0.268 8 G C 0.221 175.136 174.900 0.026 0.000 1.213 8 G CA -0.553 44.567 45.100 0.032 0.000 0.926 8 G HN 1.225 9.515 8.290 0.000 0.000 0.523 9 A N -0.046 122.781 122.820 0.012 0.000 2.520 9 A HA 0.436 4.752 4.320 -0.005 0.000 0.235 9 A C 0.345 177.933 177.584 0.008 0.000 1.065 9 A CA 0.319 52.360 52.037 0.007 0.000 0.764 9 A CB 0.181 19.173 19.000 -0.012 0.000 1.002 9 A HN 0.551 8.701 8.150 0.000 0.000 0.502 10 E N 0.656 120.866 120.200 0.017 0.000 2.238 10 E HA 0.538 4.885 4.350 -0.005 0.000 0.267 10 E C -1.433 175.186 176.600 0.031 0.000 0.887 10 E CA -0.610 55.802 56.400 0.019 0.000 0.769 10 E CB 2.087 31.796 29.700 0.015 0.000 1.187 10 E HN 0.318 8.678 8.360 0.000 0.000 0.416 11 V N 3.215 123.152 119.914 0.040 0.000 2.483 11 V HA 0.455 4.572 4.120 -0.005 0.000 0.297 11 V C -0.141 176.019 176.094 0.110 0.000 1.027 11 V CA -0.771 61.577 62.300 0.080 0.000 0.855 11 V CB 1.727 33.580 31.823 0.049 0.000 0.995 11 V HN 0.452 8.642 8.190 0.000 0.000 0.424 12 K N 2.718 123.198 120.400 0.134 0.000 2.480 12 K HA 0.657 4.974 4.320 -0.005 0.000 0.258 12 K C -1.100 175.566 176.600 0.110 0.000 0.990 12 K CA -1.130 55.217 56.287 0.099 0.000 0.857 12 K CB 3.051 35.586 32.500 0.057 0.000 1.384 12 K HN 0.436 8.686 8.250 0.000 0.000 0.446 13 K N 1.426 121.867 120.400 0.068 0.000 2.098 13 K HA 0.386 4.703 4.320 -0.005 0.000 0.258 13 K C -2.526 174.092 176.600 0.029 0.000 0.973 13 K CA -1.948 54.364 56.287 0.042 0.000 0.898 13 K CB 0.667 33.180 32.500 0.022 0.000 1.057 13 K HN 0.176 8.426 8.250 0.000 0.000 0.447 14 P HA 0.012 4.432 4.420 0.000 0.000 0.265 14 P C 0.353 177.656 177.300 0.005 0.000 1.193 14 P CA 0.769 63.877 63.100 0.013 0.000 0.765 14 P CB 0.645 32.349 31.700 0.006 0.000 0.823 15 G N 1.356 110.157 108.800 0.003 0.000 2.241 15 G HA2 -0.218 3.738 3.960 -0.005 0.000 0.244 15 G HA3 -0.218 3.738 3.960 -0.005 0.000 0.244 15 G C 0.113 175.010 174.900 -0.006 0.000 0.998 15 G CA -0.252 44.846 45.100 -0.004 0.000 0.621 15 G HN 0.556 8.846 8.290 0.000 0.000 0.519 16 E N 0.953 121.152 120.200 -0.002 0.000 2.345 16 E HA 0.515 4.862 4.350 -0.005 0.000 0.259 16 E C 0.688 177.278 176.600 -0.016 0.000 1.117 16 E CA 0.249 56.646 56.400 -0.005 0.000 0.913 16 E CB 1.055 30.757 29.700 0.004 0.000 1.057 16 E HN 0.512 8.872 8.360 0.000 0.000 0.432 17 S N 1.207 116.893 115.700 -0.023 0.000 2.690 17 S HA 0.690 5.157 4.470 -0.005 0.000 0.291 17 S C -0.749 173.824 174.600 -0.045 0.000 1.138 17 S CA -0.861 57.316 58.200 -0.038 0.000 1.013 17 S CB 1.211 64.387 63.200 -0.041 0.000 1.053 17 S HN 0.342 8.652 8.310 0.000 0.000 0.539 18 L N 0.540 121.723 121.223 -0.068 0.000 2.549 18 L HA 0.684 5.021 4.340 -0.005 0.000 0.259 18 L C -1.430 175.375 176.870 -0.109 0.000 0.934 18 L CA -0.363 54.430 54.840 -0.079 0.000 0.865 18 L CB 2.027 44.034 42.059 -0.086 0.000 1.352 18 L HN 1.005 9.235 8.230 0.000 0.000 0.410 19 K N 5.600 125.947 120.400 -0.088 0.000 2.507 19 K HA 0.753 5.070 4.320 -0.005 0.000 0.252 19 K C -1.165 175.412 176.600 -0.038 0.000 0.943 19 K CA -0.651 55.585 56.287 -0.085 0.000 0.808 19 K CB 1.220 33.676 32.500 -0.074 0.000 1.142 19 K HN 0.712 8.962 8.250 0.000 0.000 0.426 20 I N 0.215 120.731 120.570 -0.091 0.000 2.822 20 I HA 0.682 4.849 4.170 -0.005 0.000 0.312 20 I C -0.545 175.628 176.117 0.092 0.000 1.011 20 I CA -0.693 60.591 61.300 -0.026 0.000 1.105 20 I CB 2.096 40.029 38.000 -0.113 0.000 1.291 20 I HN 0.679 8.889 8.210 0.000 0.000 0.474 21 S N 2.570 118.377 115.700 0.178 0.000 2.627 21 S HA 0.696 5.163 4.470 -0.005 0.000 0.283 21 S C -1.103 173.622 174.600 0.208 0.000 1.127 21 S CA -0.732 57.553 58.200 0.141 0.000 0.863 21 S CB 1.611 64.821 63.200 0.016 0.000 1.121 21 S HN 1.051 9.361 8.310 0.000 0.000 0.479 22 c N 1.942 120.576 118.600 0.057 0.000 2.522 22 c HA 0.642 5.209 4.570 -0.005 0.000 0.344 22 c C -0.900 173.101 174.090 -0.149 0.000 1.104 22 c CA -0.038 56.286 56.329 -0.009 0.000 1.317 22 c CB 0.303 42.728 42.510 -0.142 0.000 1.896 22 c HN 1.041 9.271 8.230 0.000 0.000 0.443 23 Q N 4.100 123.823 119.800 -0.128 0.000 2.307 23 Q HA 0.600 4.937 4.340 -0.005 0.000 0.262 23 Q C -0.526 175.258 176.000 -0.362 0.000 0.961 23 Q CA -0.060 55.551 55.803 -0.320 0.000 0.882 23 Q CB 1.448 30.015 28.738 -0.284 0.000 1.264 23 Q HN 0.835 9.105 8.270 0.000 0.000 0.446 24 S N 3.298 118.648 115.700 -0.583 0.000 2.508 24 S HA 0.605 5.071 4.470 -0.005 0.000 0.284 24 S C -1.125 173.018 174.600 -0.761 0.000 1.192 24 S CA -0.343 57.616 58.200 -0.401 0.000 1.070 24 S CB 0.398 63.438 63.200 -0.268 0.000 1.004 24 S HN 0.444 8.754 8.310 0.000 0.000 0.493 25 F N -0.071 119.809 119.950 -0.117 0.000 2.588 25 F HA 0.653 5.176 4.527 -0.006 0.000 0.314 25 F C 1.067 176.839 175.800 -0.047 0.000 1.069 25 F CA -0.510 57.420 58.000 -0.116 0.000 0.931 25 F CB 1.745 40.705 39.000 -0.068 0.000 1.260 25 F HN 0.735 9.035 8.300 0.000 0.000 0.465 26 G N 1.236 110.110 108.800 0.123 0.000 2.141 26 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.242 26 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.242 26 G C -0.650 174.346 174.900 0.159 0.000 0.982 26 G CA 0.426 45.593 45.100 0.113 0.000 0.662 26 G HN 1.305 9.595 8.290 0.000 0.000 0.527 27 Y N -2.336 117.962 120.300 -0.003 0.000 2.725 27 Y HA 0.726 5.272 4.550 -0.006 0.000 0.333 27 Y C -0.508 175.442 175.900 0.082 0.000 1.242 27 Y CA -2.226 55.891 58.100 0.028 0.000 1.059 27 Y CB 0.698 39.151 38.460 -0.012 0.000 1.306 27 Y HN 0.114 8.394 8.280 0.000 0.000 0.454 28 I N 3.372 124.055 120.570 0.189 0.000 2.322 28 I HA 0.102 4.268 4.170 -0.005 0.000 0.292 28 I C 0.619 176.833 176.117 0.161 0.000 1.060 28 I CA -0.125 61.232 61.300 0.096 0.000 1.309 28 I CB 0.506 38.587 38.000 0.135 0.000 1.415 28 I HN 0.741 8.951 8.210 0.000 0.000 0.492 29 F N 8.070 127.870 119.950 -0.250 0.000 2.091 29 F HA -0.243 4.281 4.527 -0.006 0.000 0.299 29 F C 2.089 177.951 175.800 0.104 0.000 1.103 29 F CA 2.058 59.958 58.000 -0.167 0.000 1.228 29 F CB -0.092 38.772 39.000 -0.227 0.000 0.984 29 F HN 0.533 8.833 8.300 0.000 0.000 0.477 30 I N -2.580 118.006 120.570 0.027 0.000 3.176 30 I HA -0.068 4.099 4.170 -0.005 0.000 0.275 30 I C 1.027 177.165 176.117 0.035 0.000 1.298 30 I CA 1.118 62.378 61.300 -0.066 0.000 1.445 30 I CB -0.710 37.258 38.000 -0.053 0.000 1.075 30 I HN -0.103 8.107 8.210 0.000 0.000 0.482 31 D N 0.453 120.913 120.400 0.099 0.000 2.349 31 D HA 0.083 4.720 4.640 -0.005 0.000 0.224 31 D C 0.552 176.759 176.300 -0.154 0.000 1.029 31 D CA 0.734 54.732 54.000 -0.002 0.000 0.879 31 D CB 0.084 40.854 40.800 -0.050 0.000 0.906 31 D HN 0.543 8.913 8.370 0.000 0.000 0.528 32 H N -1.528 117.691 119.070 0.248 0.000 2.931 32 H HA 0.376 4.929 4.556 -0.005 0.000 0.331 32 H C 0.053 175.240 175.328 -0.235 0.000 1.273 32 H CA -0.548 55.513 56.048 0.022 0.000 1.171 32 H CB 1.523 31.302 29.762 0.028 0.000 1.898 32 H HN -0.118 8.162 8.280 0.000 0.000 0.562 33 T N -0.315 114.099 114.554 -0.234 0.000 2.940 33 T HA 0.571 4.918 4.350 -0.005 0.000 0.288 33 T C -0.049 174.612 174.700 -0.065 0.000 1.033 33 T CA -0.817 61.128 62.100 -0.258 0.000 1.033 33 T CB 1.205 69.847 68.868 -0.377 0.000 1.079 33 T HN 0.233 8.473 8.240 0.000 0.000 0.496 34 I N 2.067 122.535 120.570 -0.169 0.000 2.433 34 I HA 0.389 4.556 4.170 -0.005 0.000 0.292 34 I C 0.070 176.009 176.117 -0.296 0.000 1.001 34 I CA -0.659 60.566 61.300 -0.126 0.000 1.119 34 I CB 1.570 39.504 38.000 -0.110 0.000 1.289 34 I HN 0.764 8.974 8.210 0.000 0.000 0.438 35 H N 3.888 122.773 119.070 -0.308 0.000 2.679 35 H HA 0.344 4.896 4.556 -0.006 0.000 0.367 35 H C -1.460 173.546 175.328 -0.538 0.000 1.162 35 H CA -0.507 55.389 56.048 -0.254 0.000 1.181 35 H CB 2.343 32.093 29.762 -0.020 0.000 1.693 35 H HN 0.486 8.766 8.280 0.000 0.000 0.538 36 W N 1.881 123.038 121.300 -0.238 0.000 2.587 36 W HA 0.402 5.060 4.660 -0.003 0.000 0.324 36 W C -0.383 175.990 176.519 -0.244 0.000 1.040 36 W CA -0.636 56.587 57.345 -0.204 0.000 1.222 36 W CB 1.445 30.785 29.460 -0.199 0.000 1.381 36 W HN 0.266 8.446 8.180 0.000 0.000 0.483 37 M N 3.135 122.833 119.600 0.164 0.000 2.436 37 M HA 0.437 4.914 4.480 -0.005 0.000 0.331 37 M C -0.323 176.118 176.300 0.236 0.000 1.135 37 M CA -0.859 54.540 55.300 0.166 0.000 0.987 37 M CB 1.957 34.712 32.600 0.258 0.000 1.687 37 M HN 0.347 8.637 8.290 0.000 0.000 0.445 38 R N 1.598 122.155 120.500 0.095 0.000 2.532 38 R HA 0.542 4.878 4.340 -0.005 0.000 0.295 38 R C -1.221 175.090 176.300 0.019 0.000 0.968 38 R CA -0.416 55.636 56.100 -0.081 0.000 0.916 38 R CB 1.146 31.424 30.300 -0.037 0.000 1.124 38 R HN 0.759 9.029 8.270 0.000 0.000 0.463 39 Q N 5.335 125.089 119.800 -0.076 0.000 2.397 39 Q HA 0.242 4.579 4.340 -0.005 0.000 0.260 39 Q C -0.977 174.997 176.000 -0.043 0.000 1.002 39 Q CA -0.417 55.409 55.803 0.037 0.000 0.716 39 Q CB 1.295 30.146 28.738 0.188 0.000 1.258 39 Q HN 0.615 8.885 8.270 0.000 0.000 0.477 40 M N 3.740 123.337 119.600 -0.005 0.000 2.245 40 M HA 0.241 4.717 4.480 -0.005 0.000 0.330 40 M C -2.037 174.280 176.300 0.027 0.000 1.098 40 M CA -1.394 53.910 55.300 0.006 0.000 1.172 40 M CB 0.298 32.926 32.600 0.046 0.000 1.467 40 M HN 0.402 8.692 8.290 0.000 0.000 0.454 41 P HA -0.009 4.411 4.420 0.000 0.000 0.260 41 P C 0.570 177.900 177.300 0.050 0.000 1.185 41 P CA 1.019 64.147 63.100 0.047 0.000 0.763 41 P CB 0.242 31.980 31.700 0.063 0.000 0.776 42 G N 1.640 110.469 108.800 0.049 0.000 2.189 42 G HA2 -0.232 3.724 3.960 -0.005 0.000 0.267 42 G HA3 -0.232 3.724 3.960 -0.005 0.000 0.267 42 G C 0.194 175.120 174.900 0.044 0.000 0.975 42 G CA -0.095 45.032 45.100 0.046 0.000 0.644 42 G HN 0.561 8.851 8.290 0.000 0.000 0.537 43 Q N -0.317 119.512 119.800 0.048 0.000 2.576 43 Q HA 0.654 4.991 4.340 -0.005 0.000 0.249 43 Q C 0.981 177.015 176.000 0.057 0.000 1.041 43 Q CA -0.312 55.523 55.803 0.053 0.000 0.928 43 Q CB 0.997 29.771 28.738 0.060 0.000 1.302 43 Q HN 0.376 8.646 8.270 0.000 0.000 0.504 44 G N -0.077 108.762 108.800 0.065 0.000 2.531 44 G HA2 0.535 4.491 3.960 -0.005 0.000 0.253 44 G HA3 0.535 4.491 3.960 -0.005 0.000 0.253 44 G C -0.636 174.322 174.900 0.097 0.000 1.439 44 G CA -0.667 44.475 45.100 0.069 0.000 1.056 44 G HN 0.304 8.594 8.290 0.000 0.000 0.555 45 L N -0.195 121.095 121.223 0.113 0.000 2.322 45 L HA 0.490 4.827 4.340 -0.005 0.000 0.279 45 L C -0.309 176.679 176.870 0.197 0.000 1.036 45 L CA -0.356 54.579 54.840 0.159 0.000 0.807 45 L CB 1.852 44.007 42.059 0.160 0.000 1.226 45 L HN 0.482 8.712 8.230 0.000 0.000 0.433 46 E N 1.582 121.917 120.200 0.225 0.000 2.224 46 E HA 0.162 4.508 4.350 -0.005 0.000 0.265 46 E C -1.688 175.078 176.600 0.277 0.000 0.878 46 E CA -0.661 55.911 56.400 0.287 0.000 0.759 46 E CB 2.137 32.047 29.700 0.350 0.000 1.164 46 E HN 0.418 8.778 8.360 0.000 0.000 0.414 47 W N 5.375 126.761 121.300 0.143 0.000 2.345 47 W HA 0.180 4.838 4.660 -0.005 0.000 0.308 47 W C 0.200 176.766 176.519 0.078 0.000 1.273 47 W CA -0.011 57.388 57.345 0.089 0.000 1.243 47 W CB 0.533 30.079 29.460 0.143 0.000 1.260 47 W HN 0.691 8.871 8.180 0.000 0.000 0.509 48 M N 4.719 123.935 119.600 -0.641 0.000 2.447 48 M HA 0.327 4.804 4.480 -0.005 0.000 0.266 48 M C 1.080 176.829 176.300 -0.918 0.000 1.120 48 M CA 1.195 56.004 55.300 -0.817 0.000 1.166 48 M CB 0.024 32.111 32.600 -0.856 0.000 1.349 48 M HN 0.558 8.848 8.290 0.000 0.000 0.463 49 G N -0.338 107.565 108.800 -1.494 0.000 2.313 49 G HA2 0.591 4.548 3.960 -0.005 0.000 0.296 49 G HA3 0.591 4.548 3.960 -0.005 0.000 0.296 49 G C -2.328 172.115 174.900 -0.762 0.000 1.356 49 G CA -0.329 44.005 45.100 -1.277 0.000 0.833 49 G HN 0.369 8.659 8.290 0.000 0.000 0.552 50 A N -1.043 121.510 122.820 -0.446 0.000 2.609 50 A HA 0.940 5.257 4.320 -0.005 0.000 0.291 50 A C -0.853 176.556 177.584 -0.292 0.000 1.096 50 A CA 0.038 51.853 52.037 -0.370 0.000 0.684 50 A CB 1.533 20.218 19.000 -0.525 0.000 1.282 50 A HN 1.949 10.099 8.150 0.000 0.000 0.412 51 I N -0.599 119.820 120.570 -0.251 0.000 4.020 51 I HA 0.690 4.857 4.170 -0.005 0.000 0.256 51 I C -2.102 173.932 176.117 -0.138 0.000 1.058 51 I CA -1.808 59.414 61.300 -0.131 0.000 1.397 51 I CB 2.689 40.667 38.000 -0.036 0.000 1.298 51 I HN 0.479 8.689 8.210 0.000 0.000 0.416 52 P HA 0.198 4.618 4.420 0.000 0.000 0.427 52 P C 0.873 178.109 177.300 -0.106 0.000 1.088 52 P CA 0.125 63.120 63.100 -0.175 0.000 1.694 52 P CB 0.557 31.924 31.700 -0.555 0.000 1.305 53 R N 0.328 120.738 120.500 -0.150 0.000 2.083 53 R HA -0.132 4.205 4.340 -0.005 0.000 0.237 53 R C 1.754 177.858 176.300 -0.327 0.000 1.137 53 R CA 1.678 57.617 56.100 -0.269 0.000 0.951 53 R CB -0.346 29.703 30.300 -0.418 0.000 0.851 53 R HN 0.244 8.514 8.270 0.000 0.000 0.434 54 H N -1.032 118.068 119.070 0.051 0.000 2.586 54 H HA 0.044 4.597 4.556 -0.006 0.000 0.273 54 H C -0.064 175.294 175.328 0.050 0.000 0.997 54 H CA 0.470 56.547 56.048 0.049 0.000 1.177 54 H CB 0.293 30.098 29.762 0.071 0.000 1.471 54 H HN 0.284 8.564 8.280 0.000 0.000 0.538 55 D N 0.971 121.445 120.400 0.123 0.000 2.689 55 D HA -0.187 4.449 4.640 -0.005 0.000 0.237 55 D C -0.587 175.782 176.300 0.114 0.000 1.148 55 D CA 0.305 54.365 54.000 0.100 0.000 0.656 55 D CB -1.599 39.250 40.800 0.083 0.000 1.050 55 D HN 0.410 8.780 8.370 0.000 0.000 0.426 56 I N 0.469 121.118 120.570 0.131 0.000 2.433 56 I HA 0.368 4.535 4.170 -0.005 0.000 0.292 56 I C 0.659 176.817 176.117 0.069 0.000 1.001 56 I CA -0.533 60.837 61.300 0.117 0.000 1.119 56 I CB 1.896 39.983 38.000 0.145 0.000 1.289 56 I HN 0.106 8.316 8.210 0.000 0.000 0.438 57 T N 2.893 117.475 114.554 0.046 0.000 2.885 57 T HA 0.596 4.942 4.350 -0.005 0.000 0.285 57 T C -0.552 174.106 174.700 -0.070 0.000 1.019 57 T CA -1.036 61.014 62.100 -0.084 0.000 1.010 57 T CB 2.222 71.005 68.868 -0.142 0.000 1.022 57 T HN 0.300 8.540 8.240 0.000 0.000 0.466 58 K N 1.718 122.004 120.400 -0.189 0.000 2.371 58 K HA 0.471 4.788 4.320 -0.005 0.000 0.251 58 K C -1.621 174.837 176.600 -0.236 0.000 0.934 58 K CA -0.620 55.669 56.287 0.004 0.000 0.798 58 K CB 2.421 35.060 32.500 0.231 0.000 1.204 58 K HN 0.737 8.987 8.250 0.000 0.000 0.427 59 Y N 0.185 120.571 120.300 0.144 0.000 2.499 59 Y HA 0.223 4.770 4.550 -0.005 0.000 0.347 59 Y C 0.617 176.631 175.900 0.191 0.000 0.987 59 Y CA -1.011 57.109 58.100 0.034 0.000 1.044 59 Y CB 1.470 39.962 38.460 0.054 0.000 1.245 59 Y HN 0.503 8.783 8.280 0.000 0.000 0.461 60 N N 2.277 121.160 118.700 0.304 0.000 2.483 60 N HA -0.074 4.663 4.740 -0.005 0.000 0.264 60 N C 1.079 176.814 175.510 0.375 0.000 1.197 60 N CA 0.476 53.819 53.050 0.488 0.000 0.927 60 N CB 0.867 39.697 38.487 0.572 0.000 1.065 60 N HN 0.972 9.352 8.380 0.000 0.000 0.461 61 E N 3.602 123.973 120.200 0.285 0.000 2.147 61 E HA -0.285 4.062 4.350 -0.005 0.000 0.199 61 E C 1.671 178.324 176.600 0.089 0.000 1.005 61 E CA 1.669 58.170 56.400 0.169 0.000 0.810 61 E CB -0.030 29.750 29.700 0.134 0.000 0.736 61 E HN 0.848 9.208 8.360 0.000 0.000 0.460 62 M N -1.658 117.975 119.600 0.055 0.000 2.460 62 M HA -0.014 4.463 4.480 -0.005 0.000 0.263 62 M C 0.816 176.897 176.300 -0.366 0.000 1.071 62 M CA 1.387 56.584 55.300 -0.172 0.000 1.096 62 M CB -0.016 32.432 32.600 -0.255 0.000 1.408 62 M HN -0.017 8.273 8.290 0.000 0.000 0.463 63 F N 0.180 120.170 119.950 0.067 0.000 2.720 63 F HA 0.396 4.921 4.527 -0.003 0.000 0.301 63 F C 1.049 176.825 175.800 -0.039 0.000 1.103 63 F CA -0.637 57.384 58.000 0.034 0.000 1.291 63 F CB 0.214 39.251 39.000 0.062 0.000 1.086 63 F HN 0.005 8.305 8.300 0.000 0.000 0.592 64 R N 0.564 121.116 120.500 0.087 0.000 2.522 64 R HA 0.319 4.656 4.340 -0.005 0.000 0.284 64 R C 1.261 177.481 176.300 -0.133 0.000 1.032 64 R CA 1.267 57.291 56.100 -0.125 0.000 1.049 64 R CB 0.056 30.328 30.300 -0.047 0.000 0.956 64 R HN 0.446 8.716 8.270 0.000 0.000 0.422 65 G N 2.526 111.194 108.800 -0.220 0.000 2.225 65 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.254 65 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.254 65 G C 0.665 175.509 174.900 -0.093 0.000 0.988 65 G CA 0.337 45.355 45.100 -0.136 0.000 0.625 65 G HN 0.613 8.903 8.290 0.000 0.000 0.527 66 Q N -0.533 119.227 119.800 -0.065 0.000 2.394 66 Q HA 0.390 4.727 4.340 -0.005 0.000 0.218 66 Q C 1.299 177.286 176.000 -0.023 0.000 0.907 66 Q CA 1.482 57.277 55.803 -0.013 0.000 0.919 66 Q CB 0.788 29.562 28.738 0.060 0.000 1.051 66 Q HN 1.279 9.549 8.270 0.000 0.000 0.538 67 V N -2.334 117.552 119.914 -0.046 0.000 3.078 67 V HA 0.808 4.925 4.120 -0.005 0.000 0.311 67 V C -0.725 175.327 176.094 -0.070 0.000 1.138 67 V CA -0.771 61.495 62.300 -0.057 0.000 1.007 67 V CB 2.158 33.958 31.823 -0.038 0.000 1.045 67 V HN -0.071 8.119 8.190 0.000 0.000 0.432 68 T N 3.315 117.857 114.554 -0.020 0.000 2.848 68 T HA 0.718 5.065 4.350 -0.005 0.000 0.285 68 T C -0.516 174.243 174.700 0.099 0.000 0.995 68 T CA -0.139 62.014 62.100 0.088 0.000 0.970 68 T CB 1.304 70.186 68.868 0.024 0.000 0.976 68 T HN 0.683 8.923 8.240 0.000 0.000 0.441 69 I N 3.071 123.775 120.570 0.225 0.000 2.412 69 I HA 0.617 4.784 4.170 -0.005 0.000 0.296 69 I C 0.421 176.628 176.117 0.150 0.000 0.987 69 I CA -0.346 61.016 61.300 0.104 0.000 1.180 69 I CB 1.650 39.658 38.000 0.013 0.000 1.340 69 I HN 0.761 8.971 8.210 0.000 0.000 0.455 70 S N 4.254 120.078 115.700 0.206 0.000 2.671 70 S HA 0.966 5.433 4.470 -0.005 0.000 0.277 70 S C -1.034 173.775 174.600 0.348 0.000 1.165 70 S CA -0.775 57.562 58.200 0.229 0.000 0.822 70 S CB 2.253 65.557 63.200 0.173 0.000 1.150 70 S HN 0.851 9.161 8.310 0.000 0.000 0.479 71 A N 0.176 123.195 122.820 0.332 0.000 2.572 71 A HA 0.771 5.088 4.320 -0.005 0.000 0.295 71 A C -2.025 175.775 177.584 0.361 0.000 1.072 71 A CA -0.509 51.757 52.037 0.382 0.000 0.691 71 A CB 1.817 21.017 19.000 0.334 0.000 1.291 71 A HN 0.857 9.007 8.150 0.000 0.000 0.404 72 D N 0.614 121.228 120.400 0.357 0.000 2.462 72 D HA 0.368 5.005 4.640 -0.005 0.000 0.245 72 D C 0.641 177.044 176.300 0.172 0.000 1.122 72 D CA -0.357 53.788 54.000 0.242 0.000 0.864 72 D CB 1.132 42.087 40.800 0.257 0.000 1.098 72 D HN 0.422 8.792 8.370 0.000 0.000 0.541 73 K N 1.143 121.669 120.400 0.209 0.000 2.147 73 K HA -0.127 4.190 4.320 -0.005 0.000 0.205 73 K C 1.855 178.485 176.600 0.051 0.000 1.049 73 K CA 1.390 57.807 56.287 0.218 0.000 0.936 73 K CB 0.025 32.625 32.500 0.167 0.000 0.722 73 K HN 0.512 8.762 8.250 0.000 0.000 0.446 74 S N 0.818 116.531 115.700 0.020 0.000 2.382 74 S HA -0.123 4.344 4.470 -0.005 0.000 0.228 74 S C 1.930 176.479 174.600 -0.085 0.000 1.027 74 S CA 1.546 59.734 58.200 -0.020 0.000 0.991 74 S CB -0.247 62.952 63.200 -0.001 0.000 0.823 74 S HN 0.279 8.589 8.310 0.000 0.000 0.469 75 S N -0.139 115.486 115.700 -0.125 0.000 2.557 75 S HA 0.374 4.841 4.470 -0.005 0.000 0.223 75 S C 0.475 174.807 174.600 -0.446 0.000 0.969 75 S CA 0.120 58.193 58.200 -0.211 0.000 0.927 75 S CB -0.291 62.834 63.200 -0.126 0.000 0.806 75 S HN 0.448 8.758 8.310 0.000 0.000 0.489 76 S N 1.157 116.489 115.700 -0.614 0.000 3.631 76 S HA -0.126 4.341 4.470 -0.005 0.000 0.366 76 S C -0.068 173.664 174.600 -1.447 0.000 0.993 76 S CA 0.939 58.300 58.200 -1.399 0.000 1.167 76 S CB -2.174 60.363 63.200 -1.105 0.000 0.909 76 S HN 0.773 9.083 8.310 0.000 0.000 0.478 77 T N 1.449 115.469 114.554 -0.890 0.000 2.824 77 T HA 0.729 5.075 4.350 -0.005 0.000 0.282 77 T C 0.147 174.629 174.700 -0.365 0.000 0.993 77 T CA 0.060 61.800 62.100 -0.600 0.000 0.967 77 T CB 1.874 70.437 68.868 -0.507 0.000 0.960 77 T HN 0.570 8.810 8.240 0.000 0.000 0.441 78 A N 2.777 125.450 122.820 -0.244 0.000 2.320 78 A HA 0.879 5.196 4.320 -0.005 0.000 0.334 78 A C -1.543 175.964 177.584 -0.127 0.000 1.147 78 A CA -0.638 51.409 52.037 0.018 0.000 0.820 78 A CB 0.711 19.841 19.000 0.215 0.000 1.218 78 A HN 0.811 8.961 8.150 0.000 0.000 0.482 79 Y N -0.368 120.150 120.300 0.363 0.000 2.545 79 Y HA 0.631 5.178 4.550 -0.006 0.000 0.348 79 Y C -0.564 175.258 175.900 -0.130 0.000 1.002 79 Y CA -0.850 57.343 58.100 0.155 0.000 1.039 79 Y CB 2.236 40.719 38.460 0.038 0.000 1.271 79 Y HN 0.619 8.899 8.280 0.000 0.000 0.467 80 L N 3.734 124.697 121.223 -0.434 0.000 2.381 80 L HA 0.589 4.925 4.340 -0.005 0.000 0.274 80 L C -1.227 175.378 176.870 -0.442 0.000 0.988 80 L CA -0.491 53.880 54.840 -0.782 0.000 0.824 80 L CB 1.772 42.783 42.059 -1.746 0.000 1.263 80 L HN 0.775 9.005 8.230 0.000 0.000 0.410 81 Q N 4.997 124.623 119.800 -0.290 0.000 2.331 81 Q HA 0.823 5.160 4.340 -0.005 0.000 0.272 81 Q C -2.035 173.863 176.000 -0.170 0.000 1.062 81 Q CA -0.943 54.738 55.803 -0.203 0.000 0.806 81 Q CB 2.594 31.254 28.738 -0.129 0.000 1.312 81 Q HN 0.686 8.956 8.270 0.000 0.000 0.431 82 L N 1.147 122.363 121.223 -0.011 0.000 2.518 82 L HA 0.607 4.943 4.340 -0.005 0.000 0.257 82 L C -1.180 175.700 176.870 0.017 0.000 0.980 82 L CA -0.792 54.050 54.840 0.003 0.000 0.837 82 L CB 2.918 44.981 42.059 0.006 0.000 1.410 82 L HN 0.657 8.887 8.230 0.000 0.000 0.410 83 K N -0.077 120.342 120.400 0.033 0.000 2.340 83 K HA 0.669 4.986 4.320 -0.005 0.000 0.244 83 K C 0.524 177.157 176.600 0.054 0.000 0.973 83 K CA -0.210 56.099 56.287 0.035 0.000 0.828 83 K CB 2.019 34.539 32.500 0.033 0.000 1.226 83 K HN 0.613 8.863 8.250 0.000 0.000 0.437 84 A N 0.591 123.439 122.820 0.046 0.000 1.940 84 A HA -0.179 4.137 4.320 -0.005 0.000 0.219 84 A C 1.743 179.373 177.584 0.075 0.000 1.176 84 A CA 2.338 54.410 52.037 0.059 0.000 0.631 84 A CB -0.879 18.143 19.000 0.037 0.000 0.814 84 A HN 0.727 8.877 8.150 0.000 0.000 0.446 85 S N -0.403 115.338 115.700 0.068 0.000 2.555 85 S HA -0.073 4.393 4.470 -0.005 0.000 0.230 85 S C 0.785 175.456 174.600 0.118 0.000 0.978 85 S CA 0.964 59.211 58.200 0.079 0.000 0.934 85 S CB -0.282 62.953 63.200 0.058 0.000 0.766 85 S HN 0.516 8.826 8.310 0.000 0.000 0.533 86 D N 1.900 122.382 120.400 0.137 0.000 2.363 86 D HA 0.041 4.678 4.640 -0.005 0.000 0.220 86 D C -0.021 176.430 176.300 0.252 0.000 0.994 86 D CA 0.463 54.590 54.000 0.212 0.000 0.890 86 D CB -0.310 40.587 40.800 0.162 0.000 0.906 86 D HN 0.336 8.706 8.370 0.000 0.000 0.530 87 T N 1.563 116.221 114.554 0.173 0.000 2.792 87 T HA 0.386 4.733 4.350 -0.005 0.000 0.286 87 T C 0.251 175.016 174.700 0.109 0.000 0.970 87 T CA 0.118 62.313 62.100 0.158 0.000 1.187 87 T CB 0.550 69.500 68.868 0.136 0.000 0.915 87 T HN 0.156 8.396 8.240 0.000 0.000 0.529 88 A N 3.980 126.843 122.820 0.071 0.000 2.522 88 A HA 0.660 4.977 4.320 -0.005 0.000 0.291 88 A C -1.125 176.319 177.584 -0.234 0.000 1.039 88 A CA -1.011 50.940 52.037 -0.144 0.000 0.643 88 A CB 0.940 19.719 19.000 -0.368 0.000 1.310 88 A HN 0.653 8.803 8.150 0.000 0.000 0.436 89 M N 0.711 120.119 119.600 -0.321 0.000 2.216 89 M HA 0.679 5.156 4.480 -0.005 0.000 0.356 89 M C -1.740 174.174 176.300 -0.644 0.000 1.205 89 M CA 0.080 55.155 55.300 -0.374 0.000 1.122 89 M CB 0.123 32.519 32.600 -0.340 0.000 1.571 89 M HN 0.481 8.771 8.290 0.000 0.000 0.464 90 Y N 4.526 124.672 120.300 -0.256 0.000 2.341 90 Y HA 0.605 5.150 4.550 -0.009 0.000 0.338 90 Y C -1.229 174.593 175.900 -0.130 0.000 0.965 90 Y CA -0.340 57.719 58.100 -0.068 0.000 1.108 90 Y CB 1.159 39.644 38.460 0.043 0.000 1.180 90 Y HN 0.536 8.816 8.280 0.000 0.000 0.458 91 F N 2.240 122.421 119.950 0.386 0.000 2.508 91 F HA 0.587 5.111 4.527 -0.005 0.000 0.325 91 F C 0.065 175.882 175.800 0.028 0.000 1.090 91 F CA -1.297 56.871 58.000 0.281 0.000 0.945 91 F CB 1.193 40.438 39.000 0.407 0.000 1.156 91 F HN 0.541 8.841 8.300 0.000 0.000 0.463 92 c N 1.301 119.828 118.600 -0.122 0.000 2.365 92 c HA 1.001 5.567 4.570 -0.005 0.000 0.349 92 c C -0.171 173.650 174.090 -0.448 0.000 1.191 92 c CA -0.644 55.265 56.329 -0.700 0.000 2.114 92 c CB 0.306 42.144 42.510 -1.121 0.000 2.367 92 c HN 1.091 9.321 8.230 0.000 0.000 0.530 93 A N 2.479 124.930 122.820 -0.615 0.000 2.572 93 A HA 0.807 5.123 4.320 -0.005 0.000 0.295 93 A C -0.744 176.652 177.584 -0.313 0.000 1.072 93 A CA -0.698 50.919 52.037 -0.700 0.000 0.691 93 A CB 1.136 19.151 19.000 -1.642 0.000 1.291 93 A HN 1.040 9.190 8.150 0.000 0.000 0.404 94 R N 0.390 120.777 120.500 -0.189 0.000 2.410 94 R HA 0.587 4.924 4.340 -0.005 0.000 0.288 94 R C 0.357 176.639 176.300 -0.029 0.000 1.051 94 R CA 0.680 56.739 56.100 -0.069 0.000 1.021 94 R CB 1.269 31.454 30.300 -0.191 0.000 1.032 94 R HN 1.069 9.339 8.270 0.000 0.000 0.481 95 G N 0.824 109.646 108.800 0.038 0.000 2.975 95 G HA2 0.558 4.515 3.960 -0.005 0.000 0.291 95 G HA3 0.558 4.515 3.960 -0.005 0.000 0.291 95 G C -0.962 173.916 174.900 -0.037 0.000 1.334 95 G CA -0.361 44.688 45.100 -0.085 0.000 0.843 95 G HN 0.731 9.021 8.290 0.000 0.000 0.548 96 G N -1.605 107.109 108.800 -0.143 0.000 3.175 96 G HA2 0.677 4.634 3.960 -0.005 0.000 0.153 96 G HA3 0.677 4.634 3.960 -0.005 0.000 0.153 96 G C -1.115 173.479 174.900 -0.510 0.000 1.216 96 G CA -0.737 44.227 45.100 -0.227 0.000 0.943 96 G HN 0.384 8.674 8.290 0.000 0.000 0.611 97 F N -2.251 117.700 119.950 0.002 0.000 2.782 97 F HA 0.522 5.046 4.527 -0.004 0.000 0.366 97 F C -0.702 175.066 175.800 -0.053 0.000 1.171 97 F CA -0.962 57.043 58.000 0.008 0.000 1.064 97 F CB 0.569 39.614 39.000 0.076 0.000 1.449 97 F HN 0.224 8.524 8.300 0.000 0.000 0.520 98 Y N 0.584 121.004 120.300 0.200 0.000 2.650 98 Y HA 0.353 4.899 4.550 -0.005 0.000 0.331 98 Y C 1.067 177.009 175.900 0.069 0.000 1.165 98 Y CA 1.117 59.268 58.100 0.085 0.000 1.473 98 Y CB -0.206 38.287 38.460 0.054 0.000 1.224 98 Y HN 0.716 8.996 8.280 0.000 0.000 0.533 99 G N 2.675 111.554 108.800 0.132 0.000 2.163 99 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.213 99 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.213 99 G C -0.060 174.866 174.900 0.043 0.000 0.991 99 G CA -0.385 44.764 45.100 0.081 0.000 0.653 99 G HN 0.647 8.937 8.290 0.000 0.000 0.518 100 F N 1.975 121.719 119.950 -0.343 0.000 2.975 100 F HA 0.263 4.788 4.527 -0.004 0.000 0.311 100 F C 1.529 177.208 175.800 -0.201 0.000 1.239 100 F CA -0.451 57.281 58.000 -0.447 0.000 1.282 100 F CB 0.417 39.120 39.000 -0.495 0.000 1.071 100 F HN 0.143 8.443 8.300 0.000 0.000 0.516 101 D N 0.380 120.714 120.400 -0.111 0.000 2.194 101 D HA -0.103 4.534 4.640 -0.005 0.000 0.204 101 D C 0.132 176.140 176.300 -0.487 0.000 0.964 101 D CA 0.863 54.703 54.000 -0.268 0.000 0.846 101 D CB -0.121 40.468 40.800 -0.352 0.000 0.962 101 D HN 0.167 8.537 8.370 0.000 0.000 0.490 102 F N -0.953 118.985 119.950 -0.021 0.000 2.532 102 F HA 0.505 5.029 4.527 -0.006 0.000 0.321 102 F C -0.660 175.137 175.800 -0.004 0.000 1.089 102 F CA -1.185 56.844 58.000 0.048 0.000 0.926 102 F CB 1.513 40.481 39.000 -0.054 0.000 1.168 102 F HN -0.260 8.040 8.300 0.000 0.000 0.459 103 W N 0.887 122.259 121.300 0.120 0.000 2.844 103 W HA 0.677 5.333 4.660 -0.007 0.000 0.340 103 W C 0.315 176.895 176.519 0.101 0.000 1.093 103 W CA -1.184 56.190 57.345 0.048 0.000 1.212 103 W CB 1.494 30.922 29.460 -0.053 0.000 1.422 103 W HN 0.698 8.878 8.180 0.000 0.000 0.515 104 G N 1.273 110.266 108.800 0.321 0.000 2.653 104 G HA2 0.225 4.182 3.960 -0.005 0.000 0.265 104 G HA3 0.225 4.182 3.960 -0.005 0.000 0.265 104 G C 0.630 175.767 174.900 0.395 0.000 1.237 104 G CA -0.244 45.025 45.100 0.281 0.000 0.946 104 G HN 0.520 8.810 8.290 0.000 0.000 0.522 105 Q N -0.541 119.436 119.800 0.295 0.000 2.376 105 Q HA 0.318 4.655 4.340 -0.005 0.000 0.206 105 Q C 0.725 176.896 176.000 0.285 0.000 0.921 105 Q CA 1.153 57.130 55.803 0.289 0.000 0.911 105 Q CB 0.497 29.337 28.738 0.170 0.000 1.032 105 Q HN 1.199 9.469 8.270 0.000 0.000 0.510 106 G N -0.440 108.436 108.800 0.126 0.000 2.343 106 G HA2 0.241 4.197 3.960 -0.005 0.000 0.289 106 G HA3 0.241 4.197 3.960 -0.005 0.000 0.289 106 G C -1.572 173.279 174.900 -0.081 0.000 1.295 106 G CA -0.337 44.720 45.100 -0.072 0.000 0.869 106 G HN -0.002 8.288 8.290 0.000 0.000 0.522 107 T N 0.881 115.377 114.554 -0.096 0.000 2.890 107 T HA 0.518 4.865 4.350 -0.005 0.000 0.295 107 T C -0.194 174.520 174.700 0.023 0.000 0.993 107 T CA -0.303 61.810 62.100 0.022 0.000 0.979 107 T CB 1.381 70.319 68.868 0.118 0.000 0.967 107 T HN 0.692 8.932 8.240 0.000 0.000 0.441 108 M N 4.832 124.436 119.600 0.005 0.000 2.162 108 M HA 0.474 4.951 4.480 -0.005 0.000 0.356 108 M C -1.210 175.138 176.300 0.080 0.000 1.303 108 M CA -0.217 55.096 55.300 0.022 0.000 1.116 108 M CB 0.305 32.901 32.600 -0.008 0.000 1.632 108 M HN 0.335 8.625 8.290 0.000 0.000 0.469 109 V N 5.094 125.098 119.914 0.150 0.000 2.409 109 V HA 0.516 4.633 4.120 -0.005 0.000 0.291 109 V C -0.352 175.829 176.094 0.146 0.000 1.020 109 V CA -0.641 61.751 62.300 0.153 0.000 0.848 109 V CB 1.699 33.645 31.823 0.205 0.000 0.990 109 V HN 0.893 9.083 8.190 0.000 0.000 0.430 110 T N 4.563 119.188 114.554 0.118 0.000 2.779 110 T HA 0.597 4.944 4.350 -0.005 0.000 0.280 110 T C -0.389 174.417 174.700 0.176 0.000 0.987 110 T CA -0.402 61.789 62.100 0.152 0.000 0.966 110 T CB 1.602 70.553 68.868 0.137 0.000 0.933 110 T HN 0.339 8.579 8.240 0.000 0.000 0.442 111 V N 3.011 123.031 119.914 0.177 0.000 2.378 111 V HA 0.775 4.892 4.120 -0.005 0.000 0.288 111 V C -0.088 176.097 176.094 0.151 0.000 1.016 111 V CA -0.542 61.847 62.300 0.149 0.000 0.840 111 V CB 1.387 33.272 31.823 0.104 0.000 0.994 111 V HN 0.917 9.107 8.190 0.000 0.000 0.431 112 S N 2.656 118.446 115.700 0.149 0.000 2.550 112 S HA 0.405 4.872 4.470 -0.005 0.000 0.270 112 S C 0.825 175.390 174.600 -0.058 0.000 1.145 112 S CA -0.182 58.046 58.200 0.046 0.000 0.852 112 S CB 2.342 65.584 63.200 0.070 0.000 1.119 112 S HN 0.574 8.884 8.310 0.000 0.000 0.465 113 S N 1.710 117.341 115.700 -0.115 0.000 2.474 113 S HA 0.175 4.642 4.470 -0.005 0.000 0.235 113 S C 1.065 175.525 174.600 -0.234 0.000 0.997 113 S CA 0.730 58.851 58.200 -0.131 0.000 0.949 113 S CB -0.469 62.667 63.200 -0.107 0.000 0.766 113 S HN 0.950 9.260 8.310 0.000 0.000 0.517 114 A N 1.506 124.050 122.820 -0.460 0.000 2.448 114 A HA 0.496 4.813 4.320 -0.005 0.000 0.239 114 A C 0.487 177.710 177.584 -0.603 0.000 1.080 114 A CA -0.128 51.495 52.037 -0.690 0.000 0.779 114 A CB 0.263 18.517 19.000 -1.244 0.000 1.026 114 A HN 0.284 8.434 8.150 0.000 0.000 0.499 115 S N -0.529 114.983 115.700 -0.313 0.000 2.621 115 S HA 0.524 4.991 4.470 -0.005 0.000 0.302 115 S C 0.053 174.789 174.600 0.227 0.000 1.093 115 S CA -0.543 57.651 58.200 -0.010 0.000 1.017 115 S CB 1.409 64.617 63.200 0.014 0.000 1.077 115 S HN 0.779 9.089 8.310 0.000 0.000 0.517 116 T N 2.884 117.644 114.554 0.343 0.000 2.905 116 T HA 0.143 4.490 4.350 -0.005 0.000 0.299 116 T C -0.038 174.834 174.700 0.287 0.000 1.024 116 T CA 0.611 62.939 62.100 0.379 0.000 1.151 116 T CB -0.236 68.775 68.868 0.238 0.000 0.987 116 T HN 0.474 8.714 8.240 0.000 0.000 0.535 117 K N 1.730 122.338 120.400 0.348 0.000 2.571 117 K HA 0.483 4.800 4.320 -0.005 0.000 0.252 117 K C 0.049 176.792 176.600 0.237 0.000 0.956 117 K CA -0.662 55.769 56.287 0.240 0.000 0.822 117 K CB 1.429 34.039 32.500 0.184 0.000 1.286 117 K HN 0.739 8.989 8.250 0.000 0.000 0.439 118 G N 3.746 112.656 108.800 0.182 0.000 2.527 118 G HA2 0.334 4.291 3.960 -0.005 0.000 0.248 118 G HA3 0.334 4.291 3.960 -0.005 0.000 0.248 118 G C -2.392 172.515 174.900 0.011 0.000 1.231 118 G CA -0.895 44.274 45.100 0.116 0.000 0.838 118 G HN 0.419 8.709 8.290 0.000 0.000 0.570 119 P HA 0.264 4.684 4.420 0.000 0.000 0.279 119 P C -0.355 176.881 177.300 -0.107 0.000 1.252 119 P CA -0.449 62.625 63.100 -0.043 0.000 0.811 119 P CB 1.432 33.066 31.700 -0.111 0.000 1.035 120 S N 0.022 115.622 115.700 -0.167 0.000 2.554 120 S HA 0.367 4.833 4.470 -0.005 0.000 0.278 120 S C -0.076 174.161 174.600 -0.604 0.000 1.242 120 S CA -0.546 57.402 58.200 -0.419 0.000 1.051 120 S CB 0.548 63.427 63.200 -0.535 0.000 0.986 120 S HN 0.196 8.506 8.310 0.000 0.000 0.502 121 V N 4.214 123.749 119.914 -0.631 0.000 2.378 121 V HA 0.486 4.603 4.120 -0.005 0.000 0.288 121 V C -0.877 174.917 176.094 -0.499 0.000 1.016 121 V CA -0.522 61.511 62.300 -0.446 0.000 0.840 121 V CB 0.302 31.984 31.823 -0.234 0.000 0.994 121 V HN 0.767 8.957 8.190 0.000 0.000 0.431 122 F N 5.979 125.949 119.950 0.033 0.000 2.492 122 F HA 0.628 5.151 4.527 -0.007 0.000 0.327 122 F C -2.085 173.749 175.800 0.057 0.000 1.079 122 F CA -2.669 55.356 58.000 0.041 0.000 0.967 122 F CB 2.371 41.397 39.000 0.043 0.000 1.169 122 F HN 0.295 8.595 8.300 0.000 0.000 0.472 123 P HA 0.235 4.655 4.420 0.000 0.000 0.278 123 P C -1.031 176.378 177.300 0.181 0.000 1.238 123 P CA -0.255 62.961 63.100 0.194 0.000 0.794 123 P CB 1.448 33.244 31.700 0.160 0.000 0.955 124 L N 2.138 123.468 121.223 0.178 0.000 2.335 124 L HA 0.490 4.827 4.340 -0.005 0.000 0.268 124 L C 0.657 177.593 176.870 0.110 0.000 1.037 124 L CA -0.756 54.165 54.840 0.135 0.000 0.895 124 L CB 0.839 42.985 42.059 0.144 0.000 1.266 124 L HN 0.372 8.602 8.230 0.000 0.000 0.439 125 A N 5.467 128.338 122.820 0.085 0.000 2.354 125 A HA 0.710 5.027 4.320 -0.005 0.000 0.269 125 A C -2.278 175.330 177.584 0.041 0.000 1.109 125 A CA -1.230 50.850 52.037 0.073 0.000 0.800 125 A CB 0.058 19.100 19.000 0.070 0.000 1.045 125 A HN 0.356 8.506 8.150 0.000 0.000 0.489 126 P HA 0.320 4.740 4.420 0.000 0.000 0.275 126 P C -0.145 177.163 177.300 0.013 0.000 1.228 126 P CA 0.072 63.173 63.100 0.001 0.000 0.786 126 P CB 1.420 33.104 31.700 -0.026 0.000 0.927 127 S N 0.214 115.918 115.700 0.007 0.000 3.070 127 S HA 0.311 4.778 4.470 -0.005 0.000 0.320 127 S C 1.215 175.817 174.600 0.004 0.000 1.215 127 S CA 0.183 58.389 58.200 0.010 0.000 0.956 127 S CB 0.080 63.287 63.200 0.012 0.000 1.337 127 S HN 0.343 8.653 8.310 0.000 0.000 0.639 128 S N 0.860 116.563 115.700 0.005 0.000 2.395 128 S HA 0.076 4.543 4.470 -0.005 0.000 0.225 128 S C 1.411 176.011 174.600 0.000 0.000 1.027 128 S CA 0.755 58.956 58.200 0.002 0.000 0.965 128 S CB -0.745 62.457 63.200 0.004 0.000 0.812 128 S HN 0.593 8.903 8.310 0.000 0.000 0.482 129 K N 2.316 122.716 120.400 0.001 0.000 2.442 129 K HA 0.085 4.401 4.320 -0.005 0.000 0.198 129 K C 1.094 177.693 176.600 -0.001 0.000 1.044 129 K CA 0.906 57.193 56.287 0.000 0.000 0.948 129 K CB -0.074 32.426 32.500 0.001 0.000 0.762 129 K HN 0.580 8.830 8.250 0.000 0.000 0.472 130 S N -1.116 114.582 115.700 -0.003 0.000 2.617 130 S HA 0.240 4.707 4.470 -0.005 0.000 0.237 130 S C -0.496 174.095 174.600 -0.014 0.000 1.142 130 S CA -0.798 57.398 58.200 -0.007 0.000 1.167 130 S CB 0.444 63.640 63.200 -0.006 0.000 1.068 130 S HN -0.099 8.211 8.310 0.000 0.000 0.470 131 T N 1.276 115.823 114.554 -0.011 0.000 3.135 131 T HA 0.337 4.684 4.350 -0.005 0.000 0.357 131 T C 0.762 175.456 174.700 -0.009 0.000 1.112 131 T CA -0.399 61.693 62.100 -0.013 0.000 1.290 131 T CB 1.272 70.134 68.868 -0.009 0.000 1.018 131 T HN 0.327 8.567 8.240 0.000 0.000 0.527 132 S N 2.690 118.384 115.700 -0.010 0.000 2.404 132 S HA 0.039 4.505 4.470 -0.005 0.000 0.216 132 S C 1.669 176.266 174.600 -0.005 0.000 1.039 132 S CA 2.028 60.224 58.200 -0.006 0.000 1.062 132 S CB -0.367 62.831 63.200 -0.005 0.000 1.046 132 S HN 0.800 9.110 8.310 0.000 0.000 0.415 133 G N -0.990 107.806 108.800 -0.006 0.000 3.198 133 G HA2 0.437 4.393 3.960 -0.005 0.000 0.203 133 G HA3 0.437 4.393 3.960 -0.005 0.000 0.203 133 G C 0.804 175.701 174.900 -0.005 0.000 1.950 133 G CA 0.322 45.419 45.100 -0.005 0.000 0.798 133 G HN 0.647 8.937 8.290 0.000 0.000 0.720 134 G N 0.054 108.851 108.800 -0.005 0.000 3.379 134 G HA2 0.403 4.360 3.960 -0.005 0.000 0.253 134 G HA3 0.403 4.360 3.960 -0.005 0.000 0.253 134 G C -0.004 174.890 174.900 -0.011 0.000 1.262 134 G CA 0.204 45.300 45.100 -0.005 0.000 0.959 134 G HN 0.383 8.673 8.290 0.000 0.000 0.524 135 T N 0.819 115.363 114.554 -0.016 0.000 2.792 135 T HA 0.645 4.992 4.350 -0.005 0.000 0.280 135 T C -0.060 174.618 174.700 -0.036 0.000 0.990 135 T CA -0.180 61.902 62.100 -0.029 0.000 0.960 135 T CB 1.787 70.638 68.868 -0.028 0.000 0.939 135 T HN 0.288 8.528 8.240 0.000 0.000 0.439 136 A N 2.438 125.224 122.820 -0.058 0.000 2.325 136 A HA 0.924 5.241 4.320 -0.005 0.000 0.333 136 A C -0.196 177.324 177.584 -0.108 0.000 1.155 136 A CA -0.827 51.168 52.037 -0.070 0.000 0.814 136 A CB 0.951 19.909 19.000 -0.071 0.000 1.206 136 A HN 0.992 9.142 8.150 0.000 0.000 0.482 137 A N 0.996 123.762 122.820 -0.091 0.000 2.337 137 A HA 0.810 5.127 4.320 -0.005 0.000 0.329 137 A C -0.577 176.936 177.584 -0.118 0.000 1.146 137 A CA -0.449 51.522 52.037 -0.110 0.000 0.800 137 A CB 0.513 19.485 19.000 -0.046 0.000 1.220 137 A HN 1.817 9.967 8.150 0.000 0.000 0.472 138 L N -0.679 120.437 121.223 -0.179 0.000 2.491 138 L HA 1.081 5.418 4.340 -0.005 0.000 0.254 138 L C 0.038 176.862 176.870 -0.077 0.000 1.048 138 L CA -0.209 54.560 54.840 -0.118 0.000 0.855 138 L CB 1.513 43.468 42.059 -0.173 0.000 1.466 138 L HN 1.274 9.504 8.230 0.000 0.000 0.409 139 G N -1.365 107.526 108.800 0.150 0.000 2.489 139 G HA2 0.562 4.518 3.960 -0.005 0.000 0.305 139 G HA3 0.562 4.518 3.960 -0.005 0.000 0.305 139 G C -2.077 173.110 174.900 0.479 0.000 1.311 139 G CA -0.442 44.899 45.100 0.402 0.000 0.813 139 G HN 0.791 9.081 8.290 0.000 0.000 0.480 140 c N -0.410 118.449 118.600 0.431 0.000 2.547 140 c HA 0.696 5.263 4.570 -0.005 0.000 0.313 140 c C -0.401 173.811 174.090 0.204 0.000 1.191 140 c CA -0.570 55.895 56.329 0.227 0.000 1.474 140 c CB 0.775 43.309 42.510 0.041 0.000 2.081 140 c HN 0.786 9.016 8.230 0.000 0.000 0.476 141 L N 4.541 125.879 121.223 0.192 0.000 2.257 141 L HA 0.625 4.962 4.340 -0.005 0.000 0.290 141 L C -0.501 176.447 176.870 0.130 0.000 1.044 141 L CA 0.293 55.252 54.840 0.199 0.000 0.810 141 L CB 0.936 43.154 42.059 0.263 0.000 1.193 141 L HN 0.517 8.747 8.230 0.000 0.000 0.425 142 V N 6.161 126.146 119.914 0.119 0.000 2.288 142 V HA 0.399 4.516 4.120 -0.005 0.000 0.266 142 V C 0.188 176.390 176.094 0.181 0.000 1.048 142 V CA -0.588 61.747 62.300 0.059 0.000 0.842 142 V CB 0.577 32.403 31.823 0.004 0.000 1.064 142 V HN 0.721 8.911 8.190 0.000 0.000 0.472 143 K N 2.885 123.360 120.400 0.125 0.000 2.207 143 K HA 0.427 4.744 4.320 -0.005 0.000 0.255 143 K C -0.727 175.974 176.600 0.168 0.000 0.941 143 K CA -0.549 55.851 56.287 0.189 0.000 0.825 143 K CB 1.051 33.710 32.500 0.266 0.000 1.119 143 K HN 0.631 8.881 8.250 0.000 0.000 0.430 144 D N 2.091 122.564 120.400 0.122 0.000 2.848 144 D HA -0.209 4.428 4.640 -0.005 0.000 0.245 144 D C -1.244 175.117 176.300 0.102 0.000 1.122 144 D CA 1.153 55.192 54.000 0.066 0.000 0.769 144 D CB -1.452 39.395 40.800 0.079 0.000 1.025 144 D HN 0.493 8.863 8.370 0.000 0.000 0.423 145 Y N -1.415 118.911 120.300 0.043 0.000 2.562 145 Y HA 0.817 5.367 4.550 -0.001 0.000 0.343 145 Y C -1.020 175.017 175.900 0.228 0.000 1.025 145 Y CA -1.776 56.300 58.100 -0.041 0.000 1.082 145 Y CB 1.640 39.850 38.460 -0.417 0.000 1.264 145 Y HN -0.021 8.259 8.280 0.000 0.000 0.478 146 F N 3.581 123.659 119.950 0.213 0.000 2.635 146 F HA 0.682 5.207 4.527 -0.004 0.000 0.314 146 F C -3.099 172.958 175.800 0.428 0.000 1.119 146 F CA -2.107 56.081 58.000 0.313 0.000 1.000 146 F CB 2.411 41.520 39.000 0.183 0.000 1.278 146 F HN 0.454 8.754 8.300 0.000 0.000 0.446 147 P HA 0.244 4.664 4.420 0.000 0.000 0.301 147 P C -0.932 176.301 177.300 -0.112 0.000 1.309 147 P CA -0.280 62.310 63.100 -0.850 0.000 0.782 147 P CB 1.088 32.194 31.700 -0.990 0.000 1.282 148 E N 0.256 120.232 120.200 -0.374 0.000 2.422 148 E HA 0.144 4.491 4.350 -0.005 0.000 0.260 148 E C -1.720 174.819 176.600 -0.103 0.000 1.108 148 E CA -0.660 55.616 56.400 -0.207 0.000 0.943 148 E CB -0.466 28.985 29.700 -0.415 0.000 0.961 148 E HN 0.437 8.797 8.360 0.000 0.000 0.443 149 P HA 0.282 4.702 4.420 0.000 0.000 0.287 149 P C -0.838 176.449 177.300 -0.022 0.000 1.292 149 P CA -0.605 62.477 63.100 -0.031 0.000 0.879 149 P CB 1.298 32.966 31.700 -0.055 0.000 1.214 150 V N -2.642 117.194 119.914 -0.129 0.000 2.815 150 V HA 0.853 4.970 4.120 -0.005 0.000 0.314 150 V C -0.094 175.925 176.094 -0.125 0.000 1.064 150 V CA -0.647 61.529 62.300 -0.207 0.000 0.952 150 V CB 1.138 32.648 31.823 -0.521 0.000 1.020 150 V HN 0.788 8.978 8.190 0.000 0.000 0.439 151 T N 0.413 114.901 114.554 -0.110 0.000 2.888 151 T HA 0.836 5.183 4.350 -0.005 0.000 0.284 151 T C -0.656 173.985 174.700 -0.098 0.000 1.017 151 T CA -0.724 61.328 62.100 -0.080 0.000 1.022 151 T CB 1.624 70.455 68.868 -0.062 0.000 1.013 151 T HN 0.985 9.225 8.240 0.000 0.000 0.465 152 V N 2.578 122.447 119.914 -0.076 0.000 2.577 152 V HA 0.733 4.850 4.120 -0.005 0.000 0.303 152 V C 0.086 176.129 176.094 -0.084 0.000 1.042 152 V CA -0.816 61.413 62.300 -0.117 0.000 0.872 152 V CB 1.597 33.365 31.823 -0.091 0.000 0.998 152 V HN 1.290 9.480 8.190 0.000 0.000 0.423 153 S N 2.450 118.060 115.700 -0.151 0.000 2.715 153 S HA 0.837 5.304 4.470 -0.005 0.000 0.307 153 S C -1.613 172.852 174.600 -0.224 0.000 1.119 153 S CA -0.803 57.359 58.200 -0.062 0.000 0.937 153 S CB 1.918 65.106 63.200 -0.020 0.000 1.150 153 S HN 0.531 8.841 8.310 0.000 0.000 0.521 154 W N 0.721 122.029 121.300 0.013 0.000 2.656 154 W HA 0.528 5.184 4.660 -0.006 0.000 0.327 154 W C -0.316 176.225 176.519 0.037 0.000 1.041 154 W CA -0.239 57.129 57.345 0.038 0.000 1.229 154 W CB 0.832 30.324 29.460 0.054 0.000 1.397 154 W HN 0.816 8.996 8.180 0.000 0.000 0.479 155 N N 2.001 120.834 118.700 0.222 0.000 2.705 155 N HA -0.239 4.498 4.740 -0.005 0.000 0.255 155 N C 0.202 175.753 175.510 0.068 0.000 1.008 155 N CA 1.601 54.728 53.050 0.129 0.000 0.742 155 N CB -1.696 36.879 38.487 0.146 0.000 0.906 155 N HN 0.529 8.909 8.380 0.000 0.000 0.541 156 S N -2.641 113.076 115.700 0.027 0.000 3.473 156 S HA -0.163 4.303 4.470 -0.005 0.000 0.339 156 S C 1.411 176.024 174.600 0.022 0.000 1.148 156 S CA 1.894 60.098 58.200 0.007 0.000 0.969 156 S CB -1.496 61.703 63.200 -0.001 0.000 0.936 156 S HN 1.661 9.971 8.310 0.000 0.000 0.530 157 G N -0.597 108.233 108.800 0.050 0.000 2.194 157 G HA2 -0.134 3.823 3.960 -0.005 0.000 0.236 157 G HA3 -0.134 3.823 3.960 -0.005 0.000 0.236 157 G C 0.859 175.793 174.900 0.058 0.000 0.987 157 G CA 0.862 45.994 45.100 0.053 0.000 0.635 157 G HN 1.642 9.932 8.290 0.000 0.000 0.520 158 A N -0.502 122.354 122.820 0.061 0.000 2.015 158 A HA 0.491 4.808 4.320 -0.005 0.000 0.219 158 A C 1.285 178.910 177.584 0.069 0.000 1.163 158 A CA 1.342 53.410 52.037 0.052 0.000 0.646 158 A CB 0.047 19.070 19.000 0.039 0.000 0.806 158 A HN 0.986 9.136 8.150 0.000 0.000 0.448 159 L N 1.228 122.522 121.223 0.117 0.000 2.276 159 L HA 0.300 4.637 4.340 -0.005 0.000 0.286 159 L C 0.973 177.902 176.870 0.098 0.000 1.024 159 L CA 0.357 55.269 54.840 0.121 0.000 0.826 159 L CB 1.479 43.661 42.059 0.205 0.000 1.211 159 L HN 0.477 8.707 8.230 0.000 0.000 0.422 160 T N -1.846 112.727 114.554 0.032 0.000 3.010 160 T HA 0.121 4.467 4.350 -0.005 0.000 0.252 160 T C 0.867 175.532 174.700 -0.060 0.000 0.963 160 T CA -0.133 61.969 62.100 0.004 0.000 0.952 160 T CB 0.246 69.118 68.868 0.008 0.000 1.182 160 T HN 0.363 8.603 8.240 0.000 0.000 0.495 161 S N 1.226 116.889 115.700 -0.062 0.000 2.533 161 S HA 0.468 4.935 4.470 -0.005 0.000 0.282 161 S C 1.500 176.003 174.600 -0.162 0.000 1.304 161 S CA 0.625 58.768 58.200 -0.094 0.000 1.063 161 S CB 0.160 63.323 63.200 -0.062 0.000 0.881 161 S HN 1.114 9.424 8.310 0.000 0.000 0.493 162 G N 2.265 110.935 108.800 -0.217 0.000 2.162 162 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.260 162 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.260 162 G C 0.143 174.769 174.900 -0.457 0.000 0.976 162 G CA 0.122 45.038 45.100 -0.307 0.000 0.655 162 G HN 0.711 9.001 8.290 0.000 0.000 0.533 163 V N 2.349 122.014 119.914 -0.415 0.000 2.555 163 V HA 0.439 4.555 4.120 -0.005 0.000 0.286 163 V C 0.257 176.056 176.094 -0.491 0.000 1.044 163 V CA -0.345 61.723 62.300 -0.387 0.000 1.026 163 V CB 1.174 32.891 31.823 -0.177 0.000 0.981 163 V HN 0.357 8.547 8.190 0.000 0.000 0.480 164 H N 2.341 121.311 119.070 -0.167 0.000 2.800 164 H HA 0.361 4.914 4.556 -0.005 0.000 0.322 164 H C -0.290 174.854 175.328 -0.307 0.000 0.979 164 H CA -0.458 55.401 56.048 -0.314 0.000 1.277 164 H CB 1.755 31.218 29.762 -0.498 0.000 1.484 164 H HN 0.540 8.820 8.280 0.000 0.000 0.512 165 T N 4.971 119.462 114.554 -0.105 0.000 2.733 165 T HA 0.274 4.621 4.350 -0.005 0.000 0.294 165 T C 0.427 175.053 174.700 -0.124 0.000 0.956 165 T CA -0.434 61.660 62.100 -0.010 0.000 0.987 165 T CB 0.043 68.959 68.868 0.081 0.000 0.920 165 T HN 0.174 8.414 8.240 0.000 0.000 0.470 166 F N 3.839 123.865 119.950 0.127 0.000 2.389 166 F HA 0.353 4.876 4.527 -0.005 0.000 0.337 166 F C -1.584 174.272 175.800 0.093 0.000 1.112 166 F CA -2.321 55.737 58.000 0.096 0.000 1.192 166 F CB 0.044 39.097 39.000 0.088 0.000 1.185 166 F HN 0.345 8.645 8.300 0.000 0.000 0.552 167 P HA 0.092 4.512 4.420 0.000 0.000 0.265 167 P C -0.827 176.604 177.300 0.219 0.000 1.193 167 P CA -0.177 63.035 63.100 0.187 0.000 0.765 167 P CB 0.379 32.171 31.700 0.153 0.000 0.823 168 A N 3.091 126.034 122.820 0.205 0.000 2.425 168 A HA 0.402 4.719 4.320 -0.005 0.000 0.242 168 A C 0.309 178.033 177.584 0.232 0.000 1.077 168 A CA -0.234 51.950 52.037 0.246 0.000 0.781 168 A CB -0.151 19.017 19.000 0.279 0.000 1.020 168 A HN 0.477 8.627 8.150 0.000 0.000 0.494 169 V N 0.458 120.492 119.914 0.201 0.000 2.630 169 V HA 0.714 4.831 4.120 -0.005 0.000 0.305 169 V C -0.272 175.877 176.094 0.091 0.000 1.046 169 V CA -1.047 61.335 62.300 0.137 0.000 0.934 169 V CB 1.327 33.190 31.823 0.067 0.000 1.003 169 V HN 0.865 9.055 8.190 0.000 0.000 0.451 170 L N 3.782 124.997 121.223 -0.013 0.000 2.257 170 L HA 0.515 4.852 4.340 -0.005 0.000 0.290 170 L C 0.244 177.011 176.870 -0.172 0.000 1.044 170 L CA 0.335 55.016 54.840 -0.264 0.000 0.810 170 L CB 0.834 42.727 42.059 -0.277 0.000 1.193 170 L HN 0.913 9.143 8.230 0.000 0.000 0.425 171 Q N 1.785 121.470 119.800 -0.192 0.000 2.318 171 Q HA 0.230 4.567 4.340 -0.005 0.000 0.222 171 Q C 1.253 177.183 176.000 -0.116 0.000 1.003 171 Q CA 0.284 56.019 55.803 -0.114 0.000 0.936 171 Q CB 0.967 29.651 28.738 -0.090 0.000 1.204 171 Q HN 0.820 9.090 8.270 0.000 0.000 0.524 172 S N -0.568 115.085 115.700 -0.078 0.000 2.442 172 S HA -0.194 4.273 4.470 -0.005 0.000 0.236 172 S C 1.802 176.353 174.600 -0.082 0.000 1.007 172 S CA 1.274 59.431 58.200 -0.071 0.000 0.965 172 S CB -0.432 62.739 63.200 -0.049 0.000 0.773 172 S HN 0.678 8.988 8.310 0.000 0.000 0.504 173 S N 1.509 117.156 115.700 -0.088 0.000 2.400 173 S HA 0.097 4.564 4.470 -0.005 0.000 0.232 173 S C 1.127 175.646 174.600 -0.134 0.000 1.025 173 S CA 0.556 58.700 58.200 -0.094 0.000 0.993 173 S CB -1.098 62.056 63.200 -0.077 0.000 0.808 173 S HN 0.740 9.050 8.310 0.000 0.000 0.478 174 G N 2.013 110.708 108.800 -0.176 0.000 2.347 174 G HA2 0.566 4.522 3.960 -0.005 0.000 0.314 174 G HA3 0.566 4.522 3.960 -0.005 0.000 0.314 174 G C -0.260 174.482 174.900 -0.263 0.000 1.126 174 G CA -1.122 43.839 45.100 -0.230 0.000 0.929 174 G HN 0.537 8.827 8.290 0.000 0.000 0.441 175 L N 1.485 122.600 121.223 -0.181 0.000 4.639 175 L HA -0.257 4.079 4.340 -0.005 0.000 0.580 175 L C -0.328 176.342 176.870 -0.333 0.000 0.983 175 L CA 0.391 55.132 54.840 -0.166 0.000 0.510 175 L CB -1.026 40.987 42.059 -0.076 0.000 0.381 175 L HN 0.492 8.722 8.230 0.000 0.000 1.152 176 Y N 2.206 122.300 120.300 -0.343 0.000 2.300 176 Y HA 0.498 5.047 4.550 -0.000 0.000 0.328 176 Y C 0.797 176.409 175.900 -0.479 0.000 1.270 176 Y CA 0.240 58.043 58.100 -0.496 0.000 1.352 176 Y CB 1.619 39.538 38.460 -0.902 0.000 1.286 176 Y HN 0.653 8.933 8.280 0.000 0.000 0.536 177 S N 2.255 117.960 115.700 0.008 0.000 2.543 177 S HA 0.745 5.212 4.470 -0.005 0.000 0.271 177 S C -1.814 172.934 174.600 0.247 0.000 1.148 177 S CA -0.717 57.578 58.200 0.158 0.000 0.914 177 S CB 0.482 63.743 63.200 0.102 0.000 1.096 177 S HN 0.605 8.915 8.310 0.000 0.000 0.471 178 L N 1.296 122.709 121.223 0.315 0.000 2.341 178 L HA 0.968 5.305 4.340 -0.005 0.000 0.254 178 L C -0.593 176.418 176.870 0.235 0.000 1.040 178 L CA -0.531 54.470 54.840 0.267 0.000 0.837 178 L CB 1.478 43.712 42.059 0.291 0.000 1.425 178 L HN 0.446 8.676 8.230 0.000 0.000 0.414 179 S N -0.054 115.807 115.700 0.269 0.000 2.536 179 S HA 0.795 5.262 4.470 -0.005 0.000 0.298 179 S C -0.941 173.911 174.600 0.419 0.000 1.083 179 S CA -0.581 57.795 58.200 0.295 0.000 0.995 179 S CB 1.650 64.987 63.200 0.228 0.000 1.058 179 S HN 0.844 9.154 8.310 0.000 0.000 0.488 180 S N 1.882 117.814 115.700 0.388 0.000 2.561 180 S HA 0.748 5.215 4.470 -0.005 0.000 0.303 180 S C -0.716 174.185 174.600 0.501 0.000 1.110 180 S CA -0.606 57.862 58.200 0.446 0.000 1.034 180 S CB 0.510 63.977 63.200 0.444 0.000 1.010 180 S HN 0.731 9.041 8.310 0.000 0.000 0.482 181 V N 2.509 122.621 119.914 0.330 0.000 3.001 181 V HA 0.996 5.113 4.120 -0.005 0.000 0.314 181 V C -0.680 175.281 176.094 -0.221 0.000 1.099 181 V CA -0.713 61.656 62.300 0.115 0.000 0.989 181 V CB 1.524 33.479 31.823 0.220 0.000 1.040 181 V HN 0.723 8.913 8.190 0.000 0.000 0.434 182 V N 2.620 122.260 119.914 -0.456 0.000 2.888 182 V HA 0.798 4.915 4.120 -0.005 0.000 0.309 182 V C -0.041 175.820 176.094 -0.388 0.000 1.114 182 V CA 0.492 62.464 62.300 -0.548 0.000 0.940 182 V CB 2.613 33.879 31.823 -0.927 0.000 1.021 182 V HN 1.446 9.636 8.190 0.000 0.000 0.426 183 T N 3.883 118.269 114.554 -0.280 0.000 2.837 183 T HA 0.802 5.149 4.350 -0.005 0.000 0.285 183 T C -0.374 174.196 174.700 -0.216 0.000 0.984 183 T CA -0.219 61.758 62.100 -0.204 0.000 1.049 183 T CB 1.313 70.116 68.868 -0.108 0.000 0.947 183 T HN 1.557 9.797 8.240 0.000 0.000 0.472 184 V N -0.850 118.942 119.914 -0.203 0.000 3.130 184 V HA 0.794 4.911 4.120 -0.005 0.000 0.310 184 V C -3.233 172.814 176.094 -0.078 0.000 1.158 184 V CA -3.378 58.830 62.300 -0.154 0.000 1.029 184 V CB 1.564 33.233 31.823 -0.257 0.000 1.057 184 V HN 0.632 8.822 8.190 0.000 0.000 0.436 185 P HA 0.174 4.594 4.420 0.000 0.000 0.264 185 P C 0.934 178.236 177.300 0.004 0.000 1.193 185 P CA 0.478 63.575 63.100 -0.004 0.000 0.763 185 P CB 1.066 32.775 31.700 0.016 0.000 0.810 186 S N 2.729 118.427 115.700 -0.003 0.000 2.400 186 S HA -0.154 4.313 4.470 -0.005 0.000 0.232 186 S C 1.676 176.290 174.600 0.023 0.000 1.025 186 S CA 1.866 60.069 58.200 0.004 0.000 0.993 186 S CB -0.776 62.423 63.200 -0.000 0.000 0.808 186 S HN 0.612 8.922 8.310 0.000 0.000 0.478 187 S N 0.202 115.916 115.700 0.024 0.000 2.653 187 S HA 0.096 4.563 4.470 -0.005 0.000 0.233 187 S C 1.617 176.246 174.600 0.048 0.000 0.970 187 S CA 0.740 58.958 58.200 0.030 0.000 0.947 187 S CB -0.359 62.854 63.200 0.021 0.000 0.771 187 S HN 0.363 8.673 8.310 0.000 0.000 0.538 188 S N 0.873 116.618 115.700 0.076 0.000 2.345 188 S HA 0.190 4.657 4.470 -0.005 0.000 0.220 188 S C 1.475 176.151 174.600 0.128 0.000 1.031 188 S CA 1.227 59.508 58.200 0.136 0.000 0.996 188 S CB -0.219 63.136 63.200 0.257 0.000 0.882 188 S HN 0.615 8.925 8.310 0.000 0.000 0.445 189 L N -2.233 119.066 121.223 0.128 0.000 2.953 189 L HA 0.315 4.652 4.340 -0.005 0.000 0.258 189 L C 1.190 178.157 176.870 0.161 0.000 1.100 189 L CA 0.847 55.792 54.840 0.176 0.000 0.971 189 L CB 0.584 42.699 42.059 0.094 0.000 1.474 189 L HN 0.561 8.791 8.230 0.000 0.000 0.540 190 G N 0.055 108.914 108.800 0.098 0.000 2.134 190 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.225 190 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.225 190 G C 0.646 175.570 174.900 0.039 0.000 1.944 190 G CA 0.448 45.587 45.100 0.065 0.000 1.512 190 G HN 0.026 8.316 8.290 0.000 0.000 0.493 191 T N -0.016 114.555 114.554 0.028 0.000 2.969 191 T HA 0.387 4.734 4.350 -0.005 0.000 0.258 191 T C 0.496 175.169 174.700 -0.046 0.000 0.962 191 T CA 1.543 63.642 62.100 -0.003 0.000 0.903 191 T CB 0.098 68.966 68.868 0.000 0.000 1.177 191 T HN 0.596 8.836 8.240 0.000 0.000 0.511 192 Q N 1.881 121.632 119.800 -0.082 0.000 2.271 192 Q HA 0.488 4.825 4.340 -0.005 0.000 0.258 192 Q C -0.880 174.856 176.000 -0.440 0.000 0.936 192 Q CA -0.086 55.560 55.803 -0.262 0.000 0.909 192 Q CB 1.446 29.993 28.738 -0.319 0.000 1.253 192 Q HN 0.068 8.338 8.270 0.000 0.000 0.440 193 T N 4.689 119.010 114.554 -0.389 0.000 2.817 193 T HA 0.342 4.689 4.350 -0.005 0.000 0.293 193 T C -1.023 173.412 174.700 -0.441 0.000 0.964 193 T CA 0.165 62.097 62.100 -0.279 0.000 1.085 193 T CB 0.079 68.879 68.868 -0.113 0.000 0.921 193 T HN 0.423 8.663 8.240 0.000 0.000 0.502 194 Y N 2.893 123.268 120.300 0.125 0.000 2.328 194 Y HA 0.579 5.126 4.550 -0.005 0.000 0.333 194 Y C 0.120 176.176 175.900 0.260 0.000 0.958 194 Y CA -0.924 57.314 58.100 0.230 0.000 1.167 194 Y CB 0.988 39.588 38.460 0.233 0.000 1.151 194 Y HN 0.452 8.732 8.280 0.000 0.000 0.470 195 I N 4.006 124.795 120.570 0.364 0.000 2.466 195 I HA 0.348 4.515 4.170 -0.005 0.000 0.289 195 I C -0.614 175.404 176.117 -0.165 0.000 1.026 195 I CA -0.895 60.468 61.300 0.105 0.000 1.078 195 I CB 1.370 39.387 38.000 0.028 0.000 1.249 195 I HN 0.657 8.867 8.210 0.000 0.000 0.429 196 c N 3.018 121.273 118.600 -0.574 0.000 2.369 196 c HA 0.578 5.145 4.570 -0.005 0.000 0.358 196 c C -0.146 173.637 174.090 -0.511 0.000 1.274 196 c CA -0.813 54.883 56.329 -1.056 0.000 1.935 196 c CB -0.635 41.003 42.510 -1.453 0.000 2.431 196 c HN 0.798 9.028 8.230 0.000 0.000 0.545 197 N N 2.223 120.666 118.700 -0.429 0.000 2.457 197 N HA 0.559 5.296 4.740 -0.005 0.000 0.250 197 N C -0.970 174.401 175.510 -0.231 0.000 0.982 197 N CA -0.455 52.447 53.050 -0.247 0.000 0.941 197 N CB 1.665 40.054 38.487 -0.163 0.000 1.120 197 N HN 0.642 9.022 8.380 0.000 0.000 0.505 198 V N 2.172 121.970 119.914 -0.194 0.000 2.459 198 V HA 0.425 4.542 4.120 -0.005 0.000 0.295 198 V C -0.371 175.646 176.094 -0.128 0.000 1.029 198 V CA -0.741 61.455 62.300 -0.174 0.000 0.874 198 V CB 1.447 33.159 31.823 -0.185 0.000 0.985 198 V HN 0.668 8.858 8.190 0.000 0.000 0.438 199 N N 2.435 121.067 118.700 -0.114 0.000 2.448 199 N HA 0.272 5.008 4.740 -0.005 0.000 0.279 199 N C -1.022 174.452 175.510 -0.059 0.000 1.025 199 N CA -0.429 52.572 53.050 -0.081 0.000 0.898 199 N CB 1.096 39.537 38.487 -0.078 0.000 1.303 199 N HN 0.835 9.215 8.380 0.000 0.000 0.495 200 H N 4.134 123.108 119.070 -0.159 0.000 2.683 200 H HA 0.229 4.781 4.556 -0.006 0.000 0.270 200 H C 0.420 175.690 175.328 -0.098 0.000 1.201 200 H CA -0.267 55.681 56.048 -0.167 0.000 1.277 200 H CB 0.797 30.449 29.762 -0.184 0.000 1.400 200 H HN 0.520 8.800 8.280 0.000 0.000 0.504 201 K N 3.047 123.283 120.400 -0.273 0.000 2.097 201 K HA -0.071 4.246 4.320 -0.005 0.000 0.206 201 K C -0.986 175.436 176.600 -0.296 0.000 1.049 201 K CA 1.003 57.154 56.287 -0.227 0.000 0.933 201 K CB -0.655 31.750 32.500 -0.158 0.000 0.717 201 K HN 0.481 8.731 8.250 0.000 0.000 0.442 202 P HA -0.163 4.257 4.420 0.000 0.000 0.217 202 P C 1.120 178.287 177.300 -0.222 0.000 1.148 202 P CA 1.584 64.463 63.100 -0.369 0.000 0.828 202 P CB 0.041 31.466 31.700 -0.459 0.000 0.783 203 S N -3.212 112.348 115.700 -0.233 0.000 2.554 203 S HA 0.119 4.586 4.470 -0.005 0.000 0.226 203 S C 0.584 175.191 174.600 0.011 0.000 0.980 203 S CA -0.417 57.800 58.200 0.028 0.000 0.939 203 S CB -0.986 62.365 63.200 0.252 0.000 0.832 203 S HN 0.004 8.314 8.310 0.000 0.000 0.486 204 N N 1.662 120.330 118.700 -0.053 0.000 2.716 204 N HA -0.117 4.620 4.740 -0.005 0.000 0.250 204 N C -1.058 174.448 175.510 -0.006 0.000 1.033 204 N CA 1.322 54.350 53.050 -0.036 0.000 0.727 204 N CB -1.781 36.690 38.487 -0.026 0.000 0.950 204 N HN 0.526 8.906 8.380 0.000 0.000 0.541 205 T N 1.251 115.818 114.554 0.022 0.000 2.744 205 T HA 0.348 4.695 4.350 -0.005 0.000 0.291 205 T C 0.514 175.209 174.700 -0.008 0.000 0.957 205 T CA -0.264 61.852 62.100 0.026 0.000 1.002 205 T CB 1.846 70.756 68.868 0.069 0.000 0.919 205 T HN -0.004 8.236 8.240 0.000 0.000 0.468 206 K N 2.692 123.074 120.400 -0.029 0.000 2.426 206 K HA 0.675 4.992 4.320 -0.005 0.000 0.254 206 K C -1.413 175.152 176.600 -0.059 0.000 0.936 206 K CA -0.760 55.497 56.287 -0.050 0.000 0.801 206 K CB 2.484 34.956 32.500 -0.047 0.000 1.139 206 K HN 0.303 8.553 8.250 0.000 0.000 0.424 207 V N 2.528 122.394 119.914 -0.081 0.000 2.686 207 V HA 0.246 4.363 4.120 -0.005 0.000 0.306 207 V C -1.187 174.844 176.094 -0.106 0.000 1.065 207 V CA -0.987 61.260 62.300 -0.089 0.000 0.894 207 V CB 2.232 33.991 31.823 -0.107 0.000 1.004 207 V HN 0.682 8.872 8.190 0.000 0.000 0.424 208 D N 3.639 123.986 120.400 -0.088 0.000 2.414 208 D HA 0.407 5.044 4.640 -0.005 0.000 0.232 208 D C -0.410 175.840 176.300 -0.082 0.000 1.070 208 D CA -0.509 53.433 54.000 -0.096 0.000 0.839 208 D CB 2.141 42.900 40.800 -0.069 0.000 1.079 208 D HN 0.371 8.741 8.370 0.000 0.000 0.521 209 K N 2.226 122.561 120.400 -0.109 0.000 2.367 209 K HA 0.274 4.591 4.320 -0.005 0.000 0.263 209 K C -0.478 176.106 176.600 -0.027 0.000 1.000 209 K CA -0.827 55.420 56.287 -0.066 0.000 0.891 209 K CB 0.851 33.301 32.500 -0.082 0.000 1.117 209 K HN 0.118 8.368 8.250 0.000 0.000 0.443 210 R N 2.962 123.475 120.500 0.022 0.000 2.442 210 R HA 0.277 4.614 4.340 -0.005 0.000 0.291 210 R C -1.150 175.222 176.300 0.120 0.000 1.069 210 R CA -0.213 55.932 56.100 0.075 0.000 1.022 210 R CB 0.532 30.868 30.300 0.060 0.000 0.976 210 R HN 0.377 8.647 8.270 0.000 0.000 0.443 211 V N 5.349 125.383 119.914 0.201 0.000 2.357 211 V HA 0.312 4.428 4.120 -0.005 0.000 0.284 211 V C -0.247 175.974 176.094 0.212 0.000 1.018 211 V CA -0.538 61.895 62.300 0.222 0.000 0.841 211 V CB 1.270 33.285 31.823 0.320 0.000 0.991 211 V HN 0.850 9.040 8.190 0.000 0.000 0.437 212 E N 5.365 125.655 120.200 0.151 0.000 2.207 212 E HA 0.474 4.821 4.350 -0.005 0.000 0.270 212 E C -2.568 174.094 176.600 0.103 0.000 0.927 212 E CA -1.995 54.482 56.400 0.128 0.000 0.799 212 E CB 2.199 31.956 29.700 0.095 0.000 1.172 212 E HN 0.424 8.784 8.360 0.000 0.000 0.404 213 P HA -0.108 4.312 4.420 0.000 0.000 0.269 213 P C -0.746 176.586 177.300 0.052 0.000 1.211 213 P CA 0.146 63.285 63.100 0.065 0.000 0.781 213 P CB 0.304 32.042 31.700 0.062 0.000 0.877 214 K N 0.000 120.424 120.400 0.040 0.000 2.780 214 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 214 K CA 0.000 56.306 56.287 0.032 0.000 0.838 214 K CB 0.000 32.516 32.500 0.027 0.000 1.064 214 K HN 0.000 8.250 8.250 0.000 0.000 0.543