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 1j3g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLDEGWLAE ARRVPSPHYD CRPDDENPSL LVVHNISLPP GEFGGPWIDA DATA SEQUENCE LFTGTIDPNA HPYFAGIAHL RVSAHCLIRR DGEIVQYVPF DKRAWHAGVS DATA SEQUENCE SYQGRERCND FSIGIELEGT DTLAYTDAQY QQLAAVTNAL ITRYPAIANN DATA SEQUENCE MTGHCNIAPE RKTDPGPSFD WARFRALVTP SSHKEMT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.501 4.480 0.035 0.000 0.227 1 M C 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 L N 3.226 124.472 121.223 0.038 0.000 2.426 2 L HA 0.216 4.573 4.340 0.028 0.000 0.271 2 L C -1.440 175.462 176.870 0.053 0.000 1.169 2 L CA 0.282 55.145 54.840 0.039 0.000 0.836 2 L CB 0.881 42.964 42.059 0.040 0.000 1.112 2 L HN 0.379 8.635 8.230 0.043 0.000 0.465 3 L N 3.574 124.826 121.223 0.048 0.000 2.408 3 L HA 0.339 4.908 4.340 0.100 -0.169 0.268 3 L C -1.593 175.321 176.870 0.072 0.000 0.986 3 L CA -1.187 53.693 54.840 0.065 0.000 0.820 3 L CB 3.044 45.117 42.059 0.022 0.000 1.303 3 L HN -0.103 8.148 8.230 0.035 0.000 0.411 4 D N 1.471 121.939 120.400 0.113 0.000 2.696 4 D HA 0.215 4.897 4.640 0.070 0.000 0.251 4 D C -0.259 176.127 176.300 0.143 0.000 1.188 4 D CA -0.910 53.151 54.000 0.101 0.000 0.876 4 D CB 2.450 43.301 40.800 0.085 0.000 1.334 4 D HN 0.460 8.927 8.370 0.163 0.000 0.540 5 E N 2.881 123.144 120.200 0.105 0.000 2.440 5 E HA -0.379 4.021 4.350 0.084 0.000 0.246 5 E C -0.336 176.390 176.600 0.211 0.000 1.165 5 E CA 0.260 56.732 56.400 0.119 0.000 0.726 5 E CB -1.021 28.719 29.700 0.066 0.000 1.271 5 E HN 0.622 9.024 8.360 0.071 0.000 0.397 6 G N -6.015 102.883 108.800 0.163 0.000 2.196 6 G HA2 -0.370 3.616 3.960 0.043 0.000 0.268 6 G HA3 -0.370 3.668 3.960 0.129 0.000 0.268 6 G C -1.249 173.782 174.900 0.220 0.000 0.975 6 G CA 0.368 45.550 45.100 0.135 0.000 0.648 6 G HN -0.037 8.301 8.290 0.112 0.020 0.538 7 W N -2.001 119.351 121.300 0.087 0.000 2.390 7 W HA 0.173 4.978 4.660 0.241 0.000 0.362 7 W C -0.565 176.044 176.519 0.149 0.000 1.206 7 W CA -1.490 55.946 57.345 0.151 0.000 1.355 7 W CB 1.548 31.072 29.460 0.107 0.000 1.278 7 W HN -0.518 7.712 8.180 0.420 0.203 0.653 8 L N 2.188 123.628 121.223 0.362 0.000 2.313 8 L HA 0.005 4.478 4.340 0.221 0.000 0.282 8 L C -0.977 176.035 176.870 0.236 0.000 1.092 8 L CA 0.216 55.211 54.840 0.259 0.000 0.831 8 L CB 1.242 43.428 42.059 0.211 0.000 1.159 8 L HN 0.201 8.645 8.230 0.357 0.000 0.442 9 A N 5.284 128.204 122.820 0.167 0.000 2.272 9 A HA 0.083 4.486 4.320 0.138 0.000 0.275 9 A C -0.565 177.079 177.584 0.101 0.000 1.096 9 A CA -0.923 51.190 52.037 0.126 0.000 0.822 9 A CB 1.057 20.111 19.000 0.090 0.000 1.088 9 A HN -0.173 8.063 8.150 0.142 0.000 0.495 10 E N -3.968 116.277 120.200 0.075 0.000 2.183 10 E HA -0.483 3.893 4.350 0.043 0.000 0.196 10 E C -1.500 175.138 176.600 0.063 0.000 1.364 10 E CA 0.617 57.051 56.400 0.056 0.000 0.700 10 E CB -2.275 27.454 29.700 0.047 0.000 1.106 10 E HN 0.606 9.007 8.360 0.069 0.000 0.347 11 A N -3.770 119.093 122.820 0.073 0.000 2.587 11 A HA 0.389 4.896 4.320 0.051 -0.156 0.293 11 A C -1.766 175.851 177.584 0.055 0.000 1.087 11 A CA -1.099 50.981 52.037 0.072 0.000 0.692 11 A CB 3.371 22.436 19.000 0.109 0.000 1.291 11 A HN -0.359 7.840 8.150 0.081 0.000 0.407 12 R N 0.796 121.308 120.500 0.020 0.000 2.254 12 R HA 0.196 4.527 4.340 -0.015 0.000 0.318 12 R C -0.896 175.392 176.300 -0.020 0.000 1.031 12 R CA -1.213 54.875 56.100 -0.020 0.000 0.905 12 R CB 1.682 31.946 30.300 -0.061 0.000 1.050 12 R HN 0.478 8.646 8.270 0.013 0.110 0.456 13 R N 5.198 125.697 120.500 -0.002 0.000 2.248 13 R HA 0.126 4.606 4.340 0.233 0.000 0.328 13 R C -0.684 175.577 176.300 -0.065 0.000 1.067 13 R CA 0.097 56.233 56.100 0.061 0.000 0.924 13 R CB 0.056 30.316 30.300 -0.067 0.000 1.013 13 R HN 0.465 8.717 8.270 -0.029 0.000 0.454 14 V N 4.373 124.196 119.914 -0.153 0.000 2.464 14 V HA 0.278 4.311 4.120 -0.144 0.000 0.255 14 V C -2.076 173.955 176.094 -0.105 0.000 0.946 14 V CA -2.660 59.458 62.300 -0.304 0.000 0.988 14 V CB 0.852 32.188 31.823 -0.812 0.000 1.210 14 V HN 0.888 9.002 8.190 -0.127 0.000 0.523 15 P HA 0.106 4.760 4.420 0.390 0.000 0.266 15 P C -0.372 177.178 177.300 0.417 0.000 1.215 15 P CA -0.425 62.901 63.100 0.377 0.000 0.763 15 P CB 0.388 32.365 31.700 0.463 0.000 0.806 16 S N 3.012 119.046 115.700 0.557 0.000 2.558 16 S HA -0.122 4.719 4.470 0.617 0.000 0.291 16 S C -0.126 174.737 174.600 0.438 0.000 1.306 16 S CA -1.843 56.695 58.200 0.564 0.000 1.056 16 S CB 0.808 64.307 63.200 0.497 0.000 0.836 16 S HN -0.052 8.569 8.310 0.518 0.000 0.504 17 P HA 0.004 4.510 4.420 0.143 0.000 0.233 17 P C -1.211 176.173 177.300 0.140 0.000 1.167 17 P CA 0.930 64.137 63.100 0.177 0.000 0.770 17 P CB 0.531 32.327 31.700 0.161 0.000 0.837 18 H N -1.923 117.176 119.070 0.048 0.000 3.224 18 H HA 0.180 4.705 4.556 -0.051 0.000 0.331 18 H C -1.972 173.462 175.328 0.177 0.000 1.002 18 H CA -0.955 55.102 56.048 0.015 0.000 1.473 18 H CB 1.059 30.794 29.762 -0.046 0.000 1.830 18 H HN -0.784 7.611 8.280 0.266 0.044 0.485 19 Y N 4.011 124.400 120.300 0.148 0.000 2.240 19 Y HA 0.231 4.789 4.550 0.013 0.000 0.341 19 Y C 0.058 175.901 175.900 -0.094 0.000 1.326 19 Y CA -2.175 55.944 58.100 0.031 0.000 1.569 19 Y CB 1.175 39.679 38.460 0.074 0.000 1.426 19 Y HN 0.081 8.523 8.280 0.271 0.000 0.587 20 D N -0.622 119.847 120.400 0.116 0.000 2.588 20 D HA 0.143 4.712 4.640 -0.119 0.000 0.268 20 D C -0.750 175.574 176.300 0.040 0.000 1.176 20 D CA -0.742 53.254 54.000 -0.007 0.000 1.080 20 D CB 2.418 43.222 40.800 0.007 0.000 1.186 20 D HN -0.039 8.426 8.370 0.158 0.000 0.619 21 C N -0.739 118.550 119.300 -0.018 0.000 3.018 21 C HA 0.169 4.652 4.460 0.039 0.000 0.413 21 C C -1.852 173.110 174.990 -0.046 0.000 1.015 21 C CA -0.349 58.670 59.018 0.001 0.000 1.233 21 C CB 1.393 29.137 27.740 0.007 0.000 1.630 21 C HN 0.280 8.455 8.230 -0.092 0.000 0.532 22 R N 5.288 125.783 120.500 -0.009 0.000 2.599 22 R HA 0.414 4.712 4.340 -0.070 0.000 0.295 22 R C -1.688 174.614 176.300 0.004 0.000 0.963 22 R CA -3.067 53.026 56.100 -0.012 0.000 0.883 22 R CB 1.302 31.641 30.300 0.065 0.000 1.171 22 R HN 0.230 8.521 8.270 0.035 0.000 0.450 23 P HA 0.100 4.503 4.420 -0.029 0.000 0.231 23 P C -1.583 175.704 177.300 -0.021 0.000 1.811 23 P CA -0.353 62.736 63.100 -0.018 0.000 1.051 23 P CB -0.645 31.044 31.700 -0.018 0.000 1.951 24 D N 1.210 121.568 120.400 -0.070 0.000 2.661 24 D HA 0.141 4.713 4.640 -0.113 0.000 0.228 24 D C -1.942 174.152 176.300 -0.344 0.000 1.183 24 D CA 0.104 53.994 54.000 -0.183 0.000 0.844 24 D CB 3.483 44.171 40.800 -0.187 0.000 1.555 24 D HN -0.466 7.812 8.370 -0.075 0.046 0.453 25 D N -0.039 120.126 120.400 -0.391 0.000 2.365 25 D HA 0.254 4.647 4.640 -0.412 0.000 0.235 25 D C -1.449 174.650 176.300 -0.335 0.000 1.368 25 D CA 0.221 54.009 54.000 -0.352 0.000 1.001 25 D CB 1.838 42.528 40.800 -0.183 0.000 1.364 25 D HN 0.210 8.373 8.370 -0.344 0.000 0.577 26 E N 2.508 122.450 120.200 -0.431 0.000 2.340 26 E HA 0.052 4.323 4.350 -0.133 0.000 0.273 26 E C -1.193 175.309 176.600 -0.163 0.000 0.891 26 E CA -1.440 54.828 56.400 -0.219 0.000 0.757 26 E CB 1.556 31.196 29.700 -0.101 0.000 1.231 26 E HN -0.100 7.911 8.360 -0.582 0.000 0.439 27 N N 3.396 122.038 118.700 -0.097 0.000 2.411 27 N HA -0.024 4.609 4.740 -0.179 0.000 0.265 27 N C -1.574 173.865 175.510 -0.118 0.000 1.266 27 N CA -1.275 51.693 53.050 -0.136 0.000 0.889 27 N CB 0.482 38.896 38.487 -0.121 0.000 1.069 27 N HN 0.069 8.409 8.380 -0.067 0.000 0.476 28 P HA 0.044 4.488 4.420 0.040 0.000 0.273 28 P C -1.152 176.079 177.300 -0.116 0.000 1.319 28 P CA 0.066 63.109 63.100 -0.095 0.000 0.885 28 P CB -0.446 31.198 31.700 -0.094 0.000 1.015 29 S N 1.579 117.286 115.700 0.012 0.000 2.828 29 S HA 0.035 4.576 4.470 0.119 0.000 0.149 29 S C -2.502 172.147 174.600 0.083 0.000 0.924 29 S CA 0.692 58.939 58.200 0.079 0.000 1.044 29 S CB 0.571 63.836 63.200 0.107 0.000 1.595 29 S HN -0.086 8.256 8.310 0.054 0.000 0.454 30 L N 3.402 124.671 121.223 0.076 0.000 2.436 30 L HA 0.239 4.601 4.340 0.036 0.000 0.268 30 L C -2.964 173.932 176.870 0.043 0.000 0.974 30 L CA 0.090 54.957 54.840 0.044 0.000 0.826 30 L CB 4.415 46.489 42.059 0.025 0.000 1.291 30 L HN -0.391 7.885 8.230 0.078 0.000 0.406 31 L N 4.617 125.855 121.223 0.024 0.000 2.264 31 L HA 0.331 4.712 4.340 0.069 0.000 0.289 31 L C -2.340 174.510 176.870 -0.033 0.000 1.044 31 L CA -0.834 54.031 54.840 0.042 0.000 0.807 31 L CB 2.072 44.199 42.059 0.113 0.000 1.192 31 L HN 0.020 8.246 8.230 -0.005 0.000 0.425 32 V N 8.212 128.117 119.914 -0.015 0.000 2.347 32 V HA 0.384 4.577 4.120 -0.174 -0.178 0.280 32 V C -1.166 174.873 176.094 -0.091 0.000 1.021 32 V CA -1.745 60.508 62.300 -0.078 0.000 0.847 32 V CB 0.392 32.206 31.823 -0.014 0.000 0.990 32 V HN -0.165 8.055 8.190 0.050 0.000 0.444 33 V N 9.011 128.788 119.914 -0.229 0.000 2.350 33 V HA 0.357 4.204 4.120 -0.456 0.000 0.285 33 V C -2.383 173.548 176.094 -0.271 0.000 1.014 33 V CA -0.840 61.193 62.300 -0.445 0.000 0.831 33 V CB 0.935 32.247 31.823 -0.851 0.000 1.000 33 V HN 0.898 8.830 8.190 -0.246 0.111 0.433 34 H N 1.633 120.455 119.070 -0.414 0.000 3.060 34 H HA 0.211 4.590 4.556 -0.295 0.000 0.330 34 H C -2.634 172.594 175.328 -0.167 0.000 1.305 34 H CA -1.570 54.295 56.048 -0.305 0.000 1.209 34 H CB 2.340 31.877 29.762 -0.374 0.000 1.913 34 H HN 0.011 8.157 8.280 -0.223 0.000 0.534 35 N N 2.345 120.976 118.700 -0.114 0.000 2.439 35 N HA 0.300 5.180 4.740 -0.056 -0.173 0.249 35 N C -1.378 174.089 175.510 -0.071 0.000 1.003 35 N CA -0.281 52.742 53.050 -0.046 0.000 0.942 35 N CB 0.364 38.947 38.487 0.159 0.000 1.115 35 N HN 0.154 8.519 8.380 -0.025 0.000 0.505 36 I N 4.586 125.061 120.570 -0.159 0.000 3.294 36 I HA 0.313 4.512 4.170 0.048 0.000 0.311 36 I C -1.920 174.219 176.117 0.038 0.000 1.111 36 I CA -2.123 59.142 61.300 -0.059 0.000 0.976 36 I CB 4.720 42.617 38.000 -0.171 0.000 1.260 36 I HN 0.144 8.244 8.210 -0.185 0.000 0.474 37 S N -0.529 115.239 115.700 0.112 0.000 2.626 37 S HA 0.311 5.044 4.470 0.149 -0.174 0.275 37 S C -1.654 173.058 174.600 0.186 0.000 1.175 37 S CA -0.484 57.821 58.200 0.176 0.000 0.982 37 S CB 1.113 64.444 63.200 0.218 0.000 1.093 37 S HN 0.095 8.485 8.310 0.133 0.000 0.472 38 L N 3.122 124.399 121.223 0.090 0.000 2.567 38 L HA 0.552 4.980 4.340 0.148 0.000 0.228 38 L C -2.925 173.952 176.870 0.012 0.000 1.046 38 L CA -0.015 54.855 54.840 0.050 0.000 1.013 38 L CB 0.445 42.456 42.059 -0.081 0.000 1.944 38 L HN -0.047 8.215 8.230 0.053 0.000 0.510 39 P HA 0.454 4.207 4.420 -1.112 0.000 0.290 39 P C -1.853 175.220 177.300 -0.378 0.000 1.275 39 P CA -2.375 60.388 63.100 -0.562 0.000 0.841 39 P CB -0.432 30.911 31.700 -0.595 0.000 1.042 40 P HA 0.130 4.552 4.420 0.003 0.000 0.235 40 P C 0.077 177.321 177.300 -0.092 0.000 1.725 40 P CA -0.600 62.383 63.100 -0.195 0.000 0.894 40 P CB -0.851 30.717 31.700 -0.220 0.000 1.704 41 G N 1.754 110.553 108.800 -0.001 0.000 2.628 41 G HA2 -0.334 3.606 3.960 -0.032 0.000 0.217 41 G HA3 -0.334 3.652 3.960 0.044 0.000 0.217 41 G C -1.267 173.568 174.900 -0.107 0.000 1.240 41 G CA 1.651 46.744 45.100 -0.013 0.000 0.792 41 G HN -0.358 7.890 8.290 0.073 0.086 0.593 42 E N -1.033 119.038 120.200 -0.215 0.000 2.307 42 E HA 0.246 4.540 4.350 -0.094 0.000 0.280 42 E C -1.818 174.567 176.600 -0.358 0.000 0.900 42 E CA -0.573 55.700 56.400 -0.211 0.000 0.790 42 E CB 2.282 31.853 29.700 -0.214 0.000 1.261 42 E HN -0.157 7.997 8.360 -0.342 0.000 0.405 43 F N -0.154 119.799 119.950 0.004 0.000 3.031 43 F HA 0.074 4.605 4.527 0.008 0.000 0.326 43 F C -0.328 175.479 175.800 0.010 0.000 1.143 43 F CA 0.113 58.119 58.000 0.009 0.000 0.871 43 F CB 1.808 40.819 39.000 0.018 0.000 1.377 43 F HN -0.015 8.337 8.300 0.087 0.000 0.462 44 G N -1.051 107.902 108.800 0.255 0.000 4.238 44 G HA2 0.317 4.344 3.960 0.111 0.000 0.292 44 G HA3 0.317 4.336 3.960 0.098 0.000 0.292 44 G C -1.290 173.653 174.900 0.072 0.000 1.036 44 G CA -0.555 44.619 45.100 0.124 0.000 0.812 44 G HN 0.667 9.130 8.290 0.288 0.000 0.489 45 G N 1.316 110.152 108.800 0.059 0.000 2.347 45 G HA2 0.079 4.041 3.960 0.003 0.000 0.314 45 G HA3 0.079 4.008 3.960 -0.053 0.000 0.314 45 G C -1.309 173.642 174.900 0.086 0.000 1.126 45 G CA -1.791 43.319 45.100 0.016 0.000 0.929 45 G HN -0.368 7.999 8.290 0.129 0.000 0.441 46 P HA -0.027 4.446 4.420 0.089 0.000 0.229 46 P C 0.776 178.169 177.300 0.154 0.000 1.160 46 P CA 1.098 64.262 63.100 0.106 0.000 0.777 46 P CB 0.464 32.215 31.700 0.084 0.000 0.814 47 W N -0.280 121.002 121.300 -0.030 0.000 2.381 47 W HA -0.234 4.397 4.660 -0.048 0.000 0.301 47 W C 0.939 177.476 176.519 0.031 0.000 1.205 47 W CA 2.601 59.917 57.345 -0.047 0.000 1.285 47 W CB 0.128 29.511 29.460 -0.128 0.000 1.133 47 W HN -0.035 8.279 8.180 0.297 0.044 0.521 48 I N -1.626 118.996 120.570 0.087 0.000 2.202 48 I HA -0.469 3.696 4.170 -0.008 0.000 0.242 48 I C 2.139 178.266 176.117 0.016 0.000 1.091 48 I CA 2.557 63.886 61.300 0.048 0.000 1.368 48 I CB -1.068 37.034 38.000 0.170 0.000 1.058 48 I HN -0.858 7.488 8.210 0.226 0.000 0.410 49 D N -0.457 119.968 120.400 0.042 0.000 2.144 49 D HA -0.272 4.380 4.640 0.021 0.000 0.200 49 D C 1.826 178.170 176.300 0.074 0.000 0.978 49 D CA 3.455 57.485 54.000 0.050 0.000 0.833 49 D CB 0.197 41.032 40.800 0.059 0.000 0.961 49 D HN -0.734 7.681 8.370 0.075 0.000 0.470 50 A N -0.484 122.353 122.820 0.028 0.000 1.978 50 A HA -0.213 4.124 4.320 0.029 0.000 0.220 50 A C 1.795 179.363 177.584 -0.027 0.000 1.170 50 A CA 2.928 54.964 52.037 -0.002 0.000 0.636 50 A CB -0.467 18.519 19.000 -0.023 0.000 0.810 50 A HN 0.221 8.282 8.150 0.025 0.104 0.448 51 L N -1.616 119.581 121.223 -0.042 0.000 1.994 51 L HA -0.295 3.989 4.340 -0.093 0.000 0.208 51 L C 1.764 178.708 176.870 0.124 0.000 1.071 51 L CA 3.422 58.271 54.840 0.016 0.000 0.745 51 L CB -0.891 41.235 42.059 0.112 0.000 0.892 51 L HN -0.651 7.412 8.230 -0.073 0.123 0.431 52 F N -3.753 116.173 119.950 -0.040 0.000 2.113 52 F HA -0.241 4.286 4.527 0.000 0.000 0.297 52 F C 2.229 178.030 175.800 0.002 0.000 1.103 52 F CA 2.347 60.347 58.000 -0.001 0.000 1.248 52 F CB -0.274 38.748 39.000 0.036 0.000 0.999 52 F HN -0.776 7.824 8.300 0.499 0.000 0.475 53 T N -3.109 111.548 114.554 0.171 0.000 2.788 53 T HA -0.210 4.195 4.350 0.092 0.000 0.268 53 T C 1.159 175.881 174.700 0.036 0.000 1.044 53 T CA 2.317 64.470 62.100 0.089 0.000 1.139 53 T CB 0.677 69.591 68.868 0.078 0.000 0.867 53 T HN -0.049 8.311 8.240 0.199 0.000 0.454 54 G N -0.590 108.217 108.800 0.012 0.000 2.192 54 G HA2 -0.199 3.824 3.960 -0.062 0.000 0.193 54 G HA3 -0.199 3.749 3.960 -0.021 0.000 0.193 54 G C 0.020 174.908 174.900 -0.020 0.000 0.999 54 G CA -0.060 45.025 45.100 -0.026 0.000 0.659 54 G HN -0.168 8.028 8.290 0.025 0.109 0.503 55 T N -2.895 111.656 114.554 -0.005 0.000 3.169 55 T HA -0.014 4.345 4.350 0.014 0.000 0.250 55 T C 0.799 175.497 174.700 -0.004 0.000 1.111 55 T CA -1.445 60.659 62.100 0.007 0.000 1.010 55 T CB 0.202 69.083 68.868 0.021 0.000 0.984 55 T HN -0.509 7.734 8.240 0.004 0.000 0.537 56 I N 3.516 124.053 120.570 -0.055 0.000 2.845 56 I HA -0.318 3.796 4.170 -0.093 0.000 0.296 56 I C -1.373 174.740 176.117 -0.007 0.000 1.216 56 I CA 0.890 62.126 61.300 -0.108 0.000 1.438 56 I CB 0.771 38.601 38.000 -0.283 0.000 1.342 56 I HN -0.645 7.446 8.210 -0.070 0.077 0.577 57 D N 7.584 128.026 120.400 0.070 0.000 2.192 57 D HA 0.279 4.972 4.640 0.088 0.000 0.246 57 D C -1.000 175.399 176.300 0.164 0.000 1.042 57 D CA -2.656 51.413 54.000 0.115 0.000 0.847 57 D CB 1.546 42.416 40.800 0.117 0.000 1.186 57 D HN 0.012 8.451 8.370 0.115 0.000 0.461 58 P HA 0.117 4.638 4.420 0.169 0.000 0.231 58 P C -1.612 175.757 177.300 0.114 0.000 1.756 58 P CA -0.001 63.183 63.100 0.139 0.000 0.990 58 P CB -1.778 29.993 31.700 0.117 0.000 1.973 59 N N 0.815 119.585 118.700 0.117 0.000 2.508 59 N HA -0.104 4.653 4.740 0.029 0.000 0.186 59 N C 0.947 176.425 175.510 -0.053 0.000 1.034 59 N CA 1.123 54.188 53.050 0.024 0.000 0.885 59 N CB 1.074 39.558 38.487 -0.005 0.000 1.135 59 N HN 0.067 8.477 8.380 0.206 0.093 0.435 60 A N 0.606 123.314 122.820 -0.186 0.000 1.842 60 A HA -0.247 3.883 4.320 -0.315 0.000 0.217 60 A C -0.631 176.954 177.584 0.002 0.000 1.206 60 A CA 2.323 54.176 52.037 -0.307 0.000 0.630 60 A CB 0.067 18.613 19.000 -0.756 0.000 0.839 60 A HN 0.389 8.435 8.150 -0.173 0.000 0.447 61 H N -8.828 110.305 119.070 0.104 0.000 2.902 61 H HA 0.235 4.847 4.556 0.094 0.000 0.297 61 H C -2.402 173.051 175.328 0.209 0.000 1.406 61 H CA -1.821 54.312 56.048 0.141 0.000 1.134 61 H CB -0.572 29.279 29.762 0.149 0.000 1.833 61 H HN -0.598 7.602 8.280 -0.134 0.000 0.527 62 P HA -0.193 4.364 4.420 0.228 0.000 0.217 62 P C 0.802 178.331 177.300 0.382 0.000 1.154 62 P CA 2.145 65.429 63.100 0.307 0.000 0.841 62 P CB 0.742 32.576 31.700 0.223 0.000 0.788 63 Y N -1.108 119.475 120.300 0.472 0.000 2.053 63 Y HA -0.470 4.233 4.550 0.254 0.000 0.277 63 Y C 1.500 177.621 175.900 0.367 0.000 1.159 63 Y CA 4.040 62.370 58.100 0.383 0.000 1.125 63 Y CB -0.105 38.556 38.460 0.335 0.000 0.969 63 Y HN -0.421 8.353 8.280 0.823 0.000 0.492 64 F N -1.042 119.096 119.950 0.314 0.000 2.069 64 F HA -0.516 4.091 4.527 0.133 0.000 0.298 64 F C 1.459 177.246 175.800 -0.022 0.000 1.113 64 F CA 2.755 60.813 58.000 0.097 0.000 1.214 64 F CB -0.188 38.828 39.000 0.027 0.000 0.978 64 F HN -0.767 7.995 8.300 0.771 0.000 0.474 65 A N -1.864 121.147 122.820 0.318 0.000 1.908 65 A HA -0.413 4.018 4.320 0.185 0.000 0.218 65 A C 2.250 179.970 177.584 0.226 0.000 1.181 65 A CA 2.968 55.139 52.037 0.223 0.000 0.627 65 A CB -0.917 18.204 19.000 0.201 0.000 0.818 65 A HN -0.514 7.809 8.150 0.287 0.000 0.445 66 G N -1.216 107.688 108.800 0.173 0.000 2.552 66 G HA2 -0.322 3.760 3.960 0.204 0.000 0.216 66 G HA3 -0.322 3.666 3.960 0.047 0.000 0.216 66 G C 1.642 176.618 174.900 0.127 0.000 1.240 66 G CA 1.772 46.959 45.100 0.144 0.000 0.796 66 G HN 0.081 8.363 8.290 0.162 0.105 0.568 67 I N 0.748 121.260 120.570 -0.097 0.000 2.423 67 I HA -0.354 3.814 4.170 -0.003 0.000 0.254 67 I C 1.690 177.766 176.117 -0.069 0.000 1.151 67 I CA 1.630 62.871 61.300 -0.098 0.000 1.421 67 I CB -1.163 36.672 38.000 -0.275 0.000 1.079 67 I HN 0.180 8.251 8.210 -0.232 0.000 0.431 68 A N 0.996 123.734 122.820 -0.136 0.000 1.940 68 A HA -0.470 3.725 4.320 -0.209 0.000 0.221 68 A C 1.487 178.817 177.584 -0.423 0.000 1.190 68 A CA 3.014 54.884 52.037 -0.278 0.000 0.647 68 A CB -0.839 17.975 19.000 -0.309 0.000 0.821 68 A HN -0.091 8.003 8.150 -0.065 0.017 0.457 69 H N -3.180 115.872 119.070 -0.031 0.000 2.390 69 H HA -0.281 4.258 4.556 -0.029 0.000 0.298 69 H C 0.768 176.064 175.328 -0.052 0.000 1.106 69 H CA 2.739 58.766 56.048 -0.036 0.000 1.297 69 H CB -0.032 29.711 29.762 -0.033 0.000 1.375 69 H HN -0.655 7.331 8.280 -0.437 0.031 0.509 70 L N -0.508 120.691 121.223 -0.041 0.000 2.326 70 L HA -0.004 4.262 4.340 -0.123 0.000 0.278 70 L C -0.702 176.125 176.870 -0.072 0.000 1.092 70 L CA -0.471 54.316 54.840 -0.089 0.000 0.810 70 L CB 0.637 42.607 42.059 -0.149 0.000 1.153 70 L HN -0.172 7.877 8.230 -0.030 0.163 0.439 71 R N 2.782 123.185 120.500 -0.161 0.000 2.738 71 R HA -0.084 4.138 4.340 -0.196 0.000 0.268 71 R C -1.410 174.893 176.300 0.004 0.000 1.062 71 R CA -0.162 55.828 56.100 -0.184 0.000 1.158 71 R CB 0.309 30.380 30.300 -0.381 0.000 1.046 71 R HN 0.097 8.219 8.270 -0.245 0.000 0.493 72 V N -5.134 114.756 119.914 -0.040 0.000 3.019 72 V HA 0.475 4.772 4.120 0.295 0.000 0.317 72 V C -1.200 174.916 176.094 0.036 0.000 1.094 72 V CA -2.184 60.157 62.300 0.068 0.000 1.000 72 V CB 2.521 34.320 31.823 -0.039 0.000 1.060 72 V HN -0.111 7.955 8.190 -0.207 0.000 0.443 73 S N 0.815 116.533 115.700 0.030 0.000 2.590 73 S HA 0.332 4.794 4.470 -0.013 0.000 0.286 73 S C -1.253 173.224 174.600 -0.205 0.000 1.147 73 S CA 0.347 58.513 58.200 -0.057 0.000 0.963 73 S CB 2.803 65.963 63.200 -0.068 0.000 1.124 73 S HN -0.352 7.984 8.310 0.044 0.000 0.458 74 A N 8.032 130.651 122.820 -0.334 0.000 3.179 74 A HA 0.279 4.093 4.320 -0.843 0.000 0.213 74 A C -1.361 175.805 177.584 -0.696 0.000 1.752 74 A CA -1.168 50.495 52.037 -0.624 0.000 0.857 74 A CB 1.508 20.191 19.000 -0.529 0.000 1.798 74 A HN 0.471 8.459 8.150 -0.270 0.000 0.606 75 H N -3.682 115.114 119.070 -0.457 0.000 2.010 75 H HA 0.453 5.106 4.556 -0.300 -0.278 0.175 75 H C -0.722 174.488 175.328 -0.197 0.000 0.966 75 H CA 1.007 56.864 56.048 -0.318 0.000 1.080 75 H CB 2.897 32.463 29.762 -0.327 0.000 1.072 75 H HN 0.096 8.092 8.280 -0.473 0.000 0.373 76 C N -0.229 119.063 119.300 -0.012 0.000 2.432 76 C HA 0.518 5.162 4.460 0.069 -0.143 0.334 76 C C -2.224 172.786 174.990 0.034 0.000 1.155 76 C CA -1.109 57.923 59.018 0.024 0.000 1.335 76 C CB 2.110 29.847 27.740 -0.005 0.000 1.964 76 C HN 0.066 8.267 8.230 -0.048 0.000 0.444 77 L N 6.105 127.385 121.223 0.096 0.000 2.298 77 L HA 0.868 5.450 4.340 0.011 -0.236 0.284 77 L C -2.157 174.762 176.870 0.081 0.000 1.013 77 L CA -1.831 53.050 54.840 0.067 0.000 0.824 77 L CB 2.988 45.084 42.059 0.062 0.000 1.221 77 L HN 0.833 9.057 8.230 0.170 0.109 0.418 78 I N 7.108 127.713 120.570 0.059 0.000 2.307 78 I HA 0.433 4.805 4.170 0.059 -0.166 0.289 78 I C -1.232 174.924 176.117 0.065 0.000 1.021 78 I CA -1.124 60.215 61.300 0.064 0.000 1.224 78 I CB 0.504 38.551 38.000 0.079 0.000 1.376 78 I HN 0.622 8.857 8.210 0.042 0.000 0.470 79 R N 7.862 128.387 120.500 0.042 0.000 2.531 79 R HA 0.282 4.810 4.340 0.077 -0.142 0.273 79 R C 1.358 177.696 176.300 0.063 0.000 1.070 79 R CA -0.146 55.978 56.100 0.041 0.000 1.112 79 R CB 2.407 32.677 30.300 -0.049 0.000 1.049 79 R HN 0.552 8.730 8.270 0.026 0.108 0.508 80 R N 3.361 123.917 120.500 0.094 0.000 2.261 80 R HA -0.347 4.097 4.340 0.174 0.000 0.236 80 R C -0.065 176.247 176.300 0.020 0.000 1.141 80 R CA 2.247 58.394 56.100 0.079 0.000 1.001 80 R CB -0.556 29.728 30.300 -0.026 0.000 0.866 80 R HN 0.248 8.592 8.270 0.123 0.000 0.468 81 D N -2.605 117.800 120.400 0.008 0.000 2.434 81 D HA -0.041 4.588 4.640 -0.017 0.000 0.232 81 D C 0.465 176.756 176.300 -0.015 0.000 1.166 81 D CA -0.617 53.377 54.000 -0.010 0.000 0.830 81 D CB -0.270 40.524 40.800 -0.011 0.000 0.960 81 D HN -0.454 7.848 8.370 0.012 0.076 0.497 82 G N -1.006 107.786 108.800 -0.013 0.000 2.295 82 G HA2 -0.461 3.489 3.960 -0.017 0.000 0.287 82 G HA3 -0.461 3.483 3.960 -0.027 0.000 0.287 82 G C -1.000 173.898 174.900 -0.003 0.000 1.055 82 G CA 0.522 45.613 45.100 -0.016 0.000 0.922 82 G HN -0.360 7.834 8.290 -0.006 0.092 0.503 83 E N -0.974 119.227 120.200 0.001 0.000 2.202 83 E HA 0.250 4.599 4.350 -0.001 0.000 0.272 83 E C -1.246 175.364 176.600 0.016 0.000 0.951 83 E CA -1.739 54.660 56.400 -0.002 0.000 0.813 83 E CB 2.760 32.445 29.700 -0.026 0.000 1.151 83 E HN -0.446 7.918 8.360 0.006 0.000 0.398 84 I N 2.640 123.224 120.570 0.022 0.000 2.382 84 I HA 0.198 4.398 4.170 0.050 0.000 0.286 84 I C -1.198 174.939 176.117 0.033 0.000 1.002 84 I CA -0.715 60.609 61.300 0.041 0.000 1.135 84 I CB 1.282 39.314 38.000 0.054 0.000 1.288 84 I HN 0.397 8.616 8.210 0.015 0.000 0.448 85 V N 6.972 126.914 119.914 0.047 0.000 2.667 85 V HA 0.442 4.687 4.120 -0.027 -0.142 0.308 85 V C -1.622 174.510 176.094 0.062 0.000 1.048 85 V CA -1.707 60.605 62.300 0.019 0.000 0.928 85 V CB 2.576 34.425 31.823 0.043 0.000 1.004 85 V HN 0.961 9.090 8.190 0.072 0.104 0.444 86 Q N 3.885 123.682 119.800 -0.005 0.000 2.310 86 Q HA 0.472 4.987 4.340 0.084 -0.125 0.270 86 Q C -2.121 173.867 176.000 -0.021 0.000 1.025 86 Q CA -1.577 54.251 55.803 0.042 0.000 0.772 86 Q CB 3.886 32.661 28.738 0.062 0.000 1.253 86 Q HN 0.789 9.005 8.270 -0.090 0.000 0.450 87 Y N 5.759 126.041 120.300 -0.030 0.000 2.338 87 Y HA 0.351 5.162 4.550 0.091 -0.207 0.328 87 Y C -1.027 174.777 175.900 -0.160 0.000 0.965 87 Y CA -1.390 56.699 58.100 -0.018 0.000 1.208 87 Y CB 1.501 39.943 38.460 -0.029 0.000 1.132 87 Y HN 0.521 8.816 8.280 0.213 0.113 0.469 88 V N -1.810 118.078 119.914 -0.043 0.000 3.592 88 V HA -0.336 3.578 4.120 -0.343 0.000 0.448 88 V C -2.199 173.703 176.094 -0.319 0.000 0.679 88 V CA 0.286 62.380 62.300 -0.343 0.000 1.920 88 V CB -0.822 30.587 31.823 -0.691 0.000 2.362 88 V HN 0.197 8.491 8.190 0.104 -0.042 0.492 89 P HA 0.067 4.017 4.420 -0.783 0.000 0.280 89 P C 1.135 178.230 177.300 -0.341 0.000 1.278 89 P CA -0.844 61.893 63.100 -0.605 0.000 0.787 89 P CB 0.752 31.947 31.700 -0.842 0.000 1.163 90 F N -3.686 116.155 119.950 -0.181 0.000 2.667 90 F HA -0.170 4.323 4.527 -0.056 0.000 0.295 90 F C -0.177 175.624 175.800 0.001 0.000 1.185 90 F CA 1.364 59.324 58.000 -0.066 0.000 1.479 90 F CB -0.578 38.389 39.000 -0.055 0.000 1.116 90 F HN 0.444 8.664 8.300 -0.134 0.000 0.606 91 D N -0.115 120.366 120.400 0.135 0.000 2.549 91 D HA 0.039 4.774 4.640 0.159 0.000 0.251 91 D C -1.803 174.602 176.300 0.175 0.000 1.153 91 D CA -0.668 53.427 54.000 0.159 0.000 0.861 91 D CB 0.950 41.855 40.800 0.176 0.000 1.207 91 D HN -0.615 7.654 8.370 0.045 0.128 0.543 92 K N 3.742 124.245 120.400 0.171 0.000 4.624 92 K HA -0.284 4.141 4.320 0.176 0.000 0.703 92 K C -1.307 175.363 176.600 0.116 0.000 1.220 92 K CA 0.549 56.962 56.287 0.211 0.000 1.390 92 K CB -0.596 32.139 32.500 0.393 0.000 2.158 92 K HN 0.306 8.644 8.250 0.147 0.000 0.346 93 R N 3.569 124.138 120.500 0.115 0.000 2.474 93 R HA -0.268 4.189 4.340 0.196 0.000 0.275 93 R C -0.650 175.675 176.300 0.042 0.000 0.945 93 R CA 1.145 57.318 56.100 0.123 0.000 1.115 93 R CB 0.858 31.236 30.300 0.131 0.000 0.874 93 R HN -0.033 8.311 8.270 0.123 0.000 0.421 94 A N 3.331 126.133 122.820 -0.029 0.000 2.326 94 A HA -0.063 4.181 4.320 -0.127 0.000 0.303 94 A C -2.335 175.340 177.584 0.152 0.000 1.164 94 A CA -1.174 50.766 52.037 -0.162 0.000 0.929 94 A CB 2.762 21.298 19.000 -0.774 0.000 1.363 94 A HN 0.097 8.289 8.150 0.070 0.000 0.498 95 W N -1.163 120.108 121.300 -0.049 0.000 3.423 95 W HA 0.342 5.223 4.660 0.065 -0.182 0.330 95 W C -2.316 174.253 176.519 0.084 0.000 1.102 95 W CA 0.681 58.044 57.345 0.031 0.000 1.261 95 W CB 2.509 31.958 29.460 -0.018 0.000 1.283 95 W HN 0.685 8.810 8.180 0.094 0.112 0.447 96 H N 2.287 121.053 119.070 -0.507 0.000 2.927 96 H HA 0.196 4.365 4.556 -0.645 0.000 0.213 96 H C -2.481 172.620 175.328 -0.378 0.000 1.363 96 H CA -0.438 55.329 56.048 -0.468 0.000 1.369 96 H CB 0.005 29.640 29.762 -0.211 0.000 2.040 96 H HN -0.119 7.909 8.280 -0.420 0.000 0.544 97 A N 0.865 123.180 122.820 -0.841 0.000 1.461 97 A HA 0.096 3.861 4.320 -0.925 0.000 0.209 97 A C -0.987 176.101 177.584 -0.828 0.000 1.769 97 A CA 0.522 51.974 52.037 -0.975 0.000 1.456 97 A CB 1.249 19.626 19.000 -1.038 0.000 1.363 97 A HN 0.009 7.497 8.150 -1.103 0.000 0.395 98 G N -1.143 107.325 108.800 -0.554 0.000 3.141 98 G HA2 -0.183 3.836 3.960 0.097 0.000 0.205 98 G HA3 -0.183 3.683 3.960 -0.157 0.000 0.205 98 G C -1.905 172.892 174.900 -0.172 0.000 1.924 98 G CA 0.170 45.164 45.100 -0.175 0.000 1.573 98 G HN -0.003 7.924 8.290 -0.605 0.000 0.591 99 V N 2.480 122.218 119.914 -0.294 0.000 3.012 99 V HA 0.570 4.702 4.120 -0.224 -0.146 0.307 99 V C -2.156 173.783 176.094 -0.258 0.000 1.166 99 V CA -1.600 60.565 62.300 -0.225 0.000 0.974 99 V CB 4.292 36.045 31.823 -0.117 0.000 1.040 99 V HN -0.272 7.665 8.190 -0.422 0.000 0.428 100 S N 2.881 118.461 115.700 -0.201 0.000 2.547 100 S HA 0.481 4.903 4.470 -0.080 0.000 0.270 100 S C -2.296 172.254 174.600 -0.084 0.000 1.150 100 S CA -0.468 57.660 58.200 -0.120 0.000 0.850 100 S CB 2.692 65.832 63.200 -0.100 0.000 1.118 100 S HN 0.235 8.417 8.310 -0.213 0.000 0.461 101 S N -0.195 115.493 115.700 -0.019 0.000 2.546 101 S HA 0.848 5.481 4.470 0.022 -0.150 0.274 101 S C -2.284 172.397 174.600 0.136 0.000 1.121 101 S CA -0.785 57.432 58.200 0.029 0.000 0.887 101 S CB 3.751 66.956 63.200 0.007 0.000 1.094 101 S HN 0.175 8.483 8.310 -0.004 0.000 0.474 102 Y N 3.196 123.466 120.300 -0.050 0.000 2.558 102 Y HA 0.256 4.769 4.550 -0.062 0.000 0.333 102 Y C -1.500 174.381 175.900 -0.032 0.000 1.125 102 Y CA 0.874 58.944 58.100 -0.051 0.000 1.039 102 Y CB 4.057 42.484 38.460 -0.054 0.000 1.331 102 Y HN 0.529 8.898 8.280 0.148 0.000 0.456 103 Q N 6.717 126.344 119.800 -0.289 0.000 2.423 103 Q HA -0.443 3.742 4.340 -0.258 0.000 0.332 103 Q C 0.021 175.980 176.000 -0.069 0.000 1.355 103 Q CA 0.989 56.669 55.803 -0.204 0.000 0.947 103 Q CB -1.808 26.834 28.738 -0.160 0.000 1.189 103 Q HN 0.850 8.752 8.270 -0.614 0.000 0.418 104 G N -4.689 104.076 108.800 -0.059 0.000 2.225 104 G HA2 -0.406 3.539 3.960 -0.025 0.000 0.267 104 G HA3 -0.406 3.537 3.960 -0.027 0.000 0.267 104 G C -0.905 174.000 174.900 0.009 0.000 1.024 104 G CA 0.330 45.416 45.100 -0.024 0.000 0.784 104 G HN 0.351 8.590 8.290 -0.084 0.000 0.507 105 R N -0.273 120.246 120.500 0.031 0.000 2.483 105 R HA 0.289 4.662 4.340 0.056 0.000 0.303 105 R C -2.041 174.294 176.300 0.058 0.000 0.987 105 R CA -1.052 55.084 56.100 0.059 0.000 0.881 105 R CB 2.207 32.557 30.300 0.084 0.000 1.177 105 R HN -0.360 7.779 8.270 0.032 0.151 0.451 106 E N 6.516 126.746 120.200 0.051 0.000 2.191 106 E HA 0.391 4.871 4.350 -0.002 -0.131 0.278 106 E C -0.582 176.033 176.600 0.023 0.000 0.972 106 E CA -0.946 55.465 56.400 0.019 0.000 0.804 106 E CB 1.857 31.564 29.700 0.012 0.000 1.110 106 E HN 0.424 8.822 8.360 0.062 0.000 0.394 107 R N 5.837 126.260 120.500 -0.129 0.000 2.265 107 R HA 0.373 4.620 4.340 -0.156 0.000 0.328 107 R C 0.071 176.110 176.300 -0.435 0.000 0.969 107 R CA -1.546 54.269 56.100 -0.475 0.000 0.832 107 R CB 0.818 30.613 30.300 -0.841 0.000 1.139 107 R HN 0.909 9.090 8.270 -0.148 0.000 0.457 108 C N 3.105 122.296 119.300 -0.181 0.000 2.419 108 C HA -0.375 4.080 4.460 -0.009 0.000 0.281 108 C C -1.302 173.652 174.990 -0.060 0.000 1.336 108 C CA 1.800 60.816 59.018 -0.003 0.000 1.770 108 C CB 0.140 28.008 27.740 0.212 0.000 1.929 108 C HN 0.939 9.252 8.230 0.139 0.000 0.509 109 N N -5.118 113.426 118.700 -0.259 0.000 2.934 109 N HA 0.284 5.269 4.740 -0.012 -0.252 0.253 109 N C -2.219 173.052 175.510 -0.399 0.000 1.466 109 N CA -0.921 52.084 53.050 -0.074 0.000 0.858 109 N CB 3.185 41.862 38.487 0.317 0.000 1.459 109 N HN -0.866 6.963 8.380 -0.816 0.061 0.532 110 D N 1.458 121.759 120.400 -0.164 0.000 2.551 110 D HA 0.084 4.524 4.640 -0.333 0.000 0.223 110 D C -0.605 175.786 176.300 0.152 0.000 1.144 110 D CA 0.116 53.995 54.000 -0.202 0.000 1.025 110 D CB -1.123 39.421 40.800 -0.426 0.000 1.085 110 D HN 0.402 8.765 8.370 -0.011 0.000 0.506 111 F N 0.459 120.483 119.950 0.125 0.000 2.819 111 F HA 0.524 5.163 4.527 0.187 0.000 0.294 111 F C -1.375 174.496 175.800 0.120 0.000 1.166 111 F CA -3.492 54.592 58.000 0.140 0.000 1.374 111 F CB -1.459 37.598 39.000 0.095 0.000 0.956 111 F HN -0.381 7.660 8.300 -0.367 0.039 0.509 112 S N 0.282 116.220 115.700 0.396 0.000 2.536 112 S HA 0.264 4.836 4.470 0.170 0.000 0.287 112 S C -0.709 173.936 174.600 0.075 0.000 1.101 112 S CA -1.808 56.526 58.200 0.223 0.000 0.950 112 S CB 3.823 67.135 63.200 0.186 0.000 1.056 112 S HN -0.746 7.894 8.310 0.361 -0.114 0.481 113 I N 6.853 127.308 120.570 -0.191 0.000 2.546 113 I HA -0.020 3.134 4.170 -1.693 0.000 0.275 113 I C 0.060 176.013 176.117 -0.273 0.000 1.032 113 I CA -2.109 58.804 61.300 -0.644 0.000 2.040 113 I CB -2.089 35.631 38.000 -0.467 0.000 1.464 113 I HN 0.593 8.752 8.210 -0.085 0.000 0.865 114 G N 4.352 113.112 108.800 -0.067 0.000 2.873 114 G HA2 0.014 4.025 3.960 0.053 0.000 0.170 114 G HA3 0.014 4.122 3.960 0.122 -0.075 0.170 114 G C -1.448 173.475 174.900 0.039 0.000 1.608 114 G CA -0.461 44.670 45.100 0.052 0.000 1.084 114 G HN -0.111 8.144 8.290 0.044 0.062 0.563 115 I N -2.312 118.314 120.570 0.093 0.000 3.191 115 I HA 0.430 4.757 4.170 0.037 -0.134 0.313 115 I C -1.903 174.281 176.117 0.111 0.000 1.193 115 I CA -1.794 59.548 61.300 0.070 0.000 0.968 115 I CB 4.940 42.985 38.000 0.075 0.000 1.262 115 I HN -0.387 7.906 8.210 0.138 0.000 0.456 116 E N 0.859 121.092 120.200 0.054 0.000 2.321 116 E HA 0.502 5.038 4.350 0.079 -0.139 0.278 116 E C -2.106 174.461 176.600 -0.054 0.000 0.902 116 E CA -1.444 54.973 56.400 0.029 0.000 0.758 116 E CB 4.370 34.108 29.700 0.065 0.000 1.213 116 E HN 0.398 8.772 8.360 0.023 0.000 0.426 117 L N 4.256 125.403 121.223 -0.127 0.000 2.334 117 L HA 0.443 4.915 4.340 0.010 -0.126 0.275 117 L C -1.543 175.301 176.870 -0.042 0.000 1.036 117 L CA -0.546 54.264 54.840 -0.049 0.000 0.807 117 L CB 2.420 44.463 42.059 -0.027 0.000 1.231 117 L HN 0.003 8.099 8.230 -0.224 0.000 0.438 118 E N 0.773 121.012 120.200 0.065 0.000 2.222 118 E HA 1.018 5.638 4.350 0.074 -0.226 0.267 118 E C -1.148 175.574 176.600 0.204 0.000 0.884 118 E CA -2.450 54.018 56.400 0.113 0.000 0.764 118 E CB 4.240 34.005 29.700 0.109 0.000 1.169 118 E HN 0.675 8.992 8.360 0.093 0.099 0.413 119 G N 3.442 112.363 108.800 0.202 0.000 2.663 119 G HA2 0.300 4.324 3.960 0.106 0.000 0.299 119 G HA3 0.300 4.304 3.960 0.044 -0.018 0.299 119 G C -2.148 172.790 174.900 0.063 0.000 1.372 119 G CA -0.073 45.093 45.100 0.110 0.000 0.781 119 G HN -0.259 8.194 8.290 0.172 -0.060 0.491 120 T N -3.369 111.154 114.554 -0.051 0.000 3.186 120 T HA 0.120 4.430 4.350 -0.066 0.000 0.320 120 T C -0.014 174.623 174.700 -0.104 0.000 0.955 120 T CA -0.413 61.629 62.100 -0.097 0.000 1.030 120 T CB 1.820 70.563 68.868 -0.208 0.000 1.013 120 T HN 0.045 8.207 8.240 -0.130 0.000 0.454 121 D N 6.959 127.321 120.400 -0.064 0.000 2.723 121 D HA -0.326 4.299 4.640 -0.024 0.000 0.236 121 D C -0.256 176.003 176.300 -0.069 0.000 1.138 121 D CA 1.286 55.254 54.000 -0.054 0.000 0.676 121 D CB -0.299 40.459 40.800 -0.069 0.000 1.069 121 D HN 0.582 8.934 8.370 -0.031 0.000 0.430 122 T N -8.908 105.598 114.554 -0.080 0.000 3.897 122 T HA -0.557 3.607 4.350 -0.309 0.000 0.353 122 T C -0.327 174.188 174.700 -0.309 0.000 0.758 122 T CA 0.853 62.857 62.100 -0.159 0.000 1.883 122 T CB -0.940 67.968 68.868 0.068 0.000 1.849 122 T HN -0.002 8.219 8.240 -0.031 0.000 0.791 123 L N 1.688 122.711 121.223 -0.333 0.000 2.490 123 L HA -0.107 4.130 4.340 -0.172 0.000 0.274 123 L C -0.156 176.479 176.870 -0.392 0.000 1.201 123 L CA 0.525 55.209 54.840 -0.261 0.000 0.869 123 L CB 0.872 42.827 42.059 -0.174 0.000 1.123 123 L HN -0.570 7.354 8.230 -0.285 0.135 0.484 124 A N 4.590 127.278 122.820 -0.219 0.000 2.568 124 A HA -0.267 3.999 4.320 -0.090 0.000 0.273 124 A C 0.310 177.793 177.584 -0.168 0.000 0.978 124 A CA 1.406 53.357 52.037 -0.145 0.000 0.946 124 A CB -0.029 18.932 19.000 -0.065 0.000 0.842 124 A HN 0.140 8.204 8.150 -0.143 0.000 0.484 125 Y N 0.897 121.177 120.300 -0.033 0.000 2.516 125 Y HA -0.240 4.355 4.550 -0.038 -0.068 0.291 125 Y C -0.027 175.767 175.900 -0.176 0.000 1.131 125 Y CA 1.481 59.537 58.100 -0.074 0.000 1.281 125 Y CB 0.185 38.618 38.460 -0.045 0.000 1.013 125 Y HN 0.308 8.653 8.280 0.110 0.000 0.554 126 T N -6.171 108.361 114.554 -0.037 0.000 3.245 126 T HA -0.378 3.922 4.350 -0.085 0.000 0.434 126 T C 0.009 174.543 174.700 -0.276 0.000 0.770 126 T CA -0.557 61.477 62.100 -0.112 0.000 2.278 126 T CB -0.223 68.601 68.868 -0.072 0.000 1.692 126 T HN -0.732 7.475 8.240 -0.001 0.032 0.677 127 D N 3.496 123.691 120.400 -0.341 0.000 2.640 127 D HA -0.521 3.445 4.640 -1.123 0.000 0.193 127 D C 1.690 177.756 176.300 -0.391 0.000 1.063 127 D CA 4.147 57.849 54.000 -0.497 0.000 0.923 127 D CB -0.348 40.383 40.800 -0.115 0.000 0.883 127 D HN 0.426 8.680 8.370 -0.193 0.000 0.463 128 A N -1.725 120.971 122.820 -0.207 0.000 1.971 128 A HA -0.344 3.940 4.320 -0.060 0.000 0.222 128 A C 1.948 179.466 177.584 -0.110 0.000 1.182 128 A CA 2.644 54.615 52.037 -0.110 0.000 0.649 128 A CB -0.784 18.171 19.000 -0.075 0.000 0.818 128 A HN -0.051 7.913 8.150 -0.180 0.078 0.458 129 Q N -1.906 117.772 119.800 -0.202 0.000 2.062 129 Q HA -0.442 3.887 4.340 -0.018 0.000 0.209 129 Q C 2.541 178.552 176.000 0.019 0.000 0.996 129 Q CA 3.531 59.266 55.803 -0.115 0.000 0.859 129 Q CB -0.044 28.587 28.738 -0.178 0.000 0.920 129 Q HN 0.444 8.419 8.270 -0.289 0.122 0.415 130 Y N -2.121 118.166 120.300 -0.023 0.000 2.181 130 Y HA -0.368 4.177 4.550 -0.008 0.000 0.288 130 Y C 2.819 178.773 175.900 0.090 0.000 1.146 130 Y CA 1.271 59.357 58.100 -0.023 0.000 1.164 130 Y CB -1.211 37.139 38.460 -0.184 0.000 0.982 130 Y HN -0.381 7.439 8.280 -0.600 0.100 0.515 131 Q N -1.193 118.705 119.800 0.163 0.000 2.016 131 Q HA -0.390 4.008 4.340 0.096 0.000 0.200 131 Q C 2.685 178.746 176.000 0.101 0.000 0.978 131 Q CA 3.381 59.245 55.803 0.101 0.000 0.833 131 Q CB -0.326 28.441 28.738 0.049 0.000 0.895 131 Q HN -0.535 7.703 8.270 0.086 0.083 0.427 132 Q N -0.522 119.332 119.800 0.090 0.000 2.079 132 Q HA -0.342 4.042 4.340 0.073 0.000 0.200 132 Q C 2.511 178.591 176.000 0.134 0.000 0.974 132 Q CA 3.354 59.210 55.803 0.089 0.000 0.840 132 Q CB 0.137 28.913 28.738 0.063 0.000 0.898 132 Q HN 0.175 8.486 8.270 0.068 0.000 0.430 133 L N 0.252 121.592 121.223 0.195 0.000 1.989 133 L HA -0.397 4.074 4.340 0.218 0.000 0.211 133 L C 1.091 178.144 176.870 0.304 0.000 1.071 133 L CA 3.100 58.106 54.840 0.276 0.000 0.749 133 L CB -0.808 41.481 42.059 0.383 0.000 0.890 133 L HN 0.393 8.627 8.230 0.189 0.110 0.431 134 A N -1.951 121.046 122.820 0.295 0.000 1.917 134 A HA -0.460 3.899 4.320 0.065 0.000 0.219 134 A C 1.913 179.539 177.584 0.069 0.000 1.182 134 A CA 3.223 55.319 52.037 0.100 0.000 0.633 134 A CB -1.217 17.754 19.000 -0.048 0.000 0.819 134 A HN 0.180 8.420 8.150 0.330 0.108 0.448 135 A N -0.907 121.962 122.820 0.081 0.000 1.858 135 A HA -0.244 4.309 4.320 0.046 -0.206 0.216 135 A C 2.133 179.762 177.584 0.075 0.000 1.190 135 A CA 2.658 54.733 52.037 0.064 0.000 0.617 135 A CB -0.635 18.401 19.000 0.060 0.000 0.827 135 A HN -0.525 7.592 8.150 0.099 0.092 0.443 136 V N -0.830 119.144 119.914 0.101 0.000 2.252 136 V HA -0.612 3.565 4.120 0.094 0.000 0.249 136 V C 2.297 178.458 176.094 0.112 0.000 1.056 136 V CA 4.863 67.228 62.300 0.108 0.000 1.022 136 V CB -0.592 31.305 31.823 0.123 0.000 0.641 136 V HN 0.079 8.338 8.190 0.114 0.000 0.445 137 T N 2.010 116.647 114.554 0.138 0.000 2.737 137 T HA -0.456 3.980 4.350 0.143 0.000 0.269 137 T C 1.940 176.682 174.700 0.071 0.000 1.040 137 T CA 5.392 67.573 62.100 0.135 0.000 1.142 137 T CB -0.575 68.417 68.868 0.206 0.000 0.861 137 T HN 0.543 8.776 8.240 0.170 0.110 0.456 138 N N 1.954 120.679 118.700 0.040 0.000 2.084 138 N HA -0.389 4.340 4.740 -0.018 0.000 0.190 138 N C 1.966 177.479 175.510 0.004 0.000 1.030 138 N CA 3.629 56.681 53.050 0.004 0.000 0.849 138 N CB -0.289 38.200 38.487 0.002 0.000 1.012 138 N HN 0.044 8.253 8.380 0.050 0.201 0.423 139 A N 0.641 123.473 122.820 0.021 0.000 1.858 139 A HA -0.333 3.977 4.320 -0.016 0.000 0.216 139 A C 1.679 179.262 177.584 -0.002 0.000 1.190 139 A CA 3.227 55.267 52.037 0.004 0.000 0.617 139 A CB -0.359 18.652 19.000 0.020 0.000 0.827 139 A HN -0.458 7.715 8.150 0.039 0.000 0.443 140 L N -2.375 118.875 121.223 0.046 0.000 2.079 140 L HA -0.375 3.992 4.340 0.046 0.000 0.210 140 L C 2.390 179.293 176.870 0.055 0.000 1.081 140 L CA 3.290 58.173 54.840 0.072 0.000 0.752 140 L CB -0.999 41.143 42.059 0.138 0.000 0.896 140 L HN 0.106 8.379 8.230 0.071 0.000 0.433 141 I N -0.917 119.681 120.570 0.047 0.000 2.202 141 I HA -0.400 3.968 4.170 0.073 -0.153 0.242 141 I C 2.163 178.281 176.117 0.002 0.000 1.091 141 I CA 3.658 64.980 61.300 0.038 0.000 1.368 141 I CB 0.184 38.194 38.000 0.016 0.000 1.058 141 I HN 0.358 8.490 8.210 0.047 0.106 0.410 142 T N -1.093 113.442 114.554 -0.031 0.000 3.007 142 T HA -0.307 4.016 4.350 -0.045 0.000 0.270 142 T C 1.179 175.820 174.700 -0.098 0.000 1.107 142 T CA 2.892 64.959 62.100 -0.055 0.000 1.118 142 T CB -0.038 68.797 68.868 -0.055 0.000 0.889 142 T HN -0.364 7.786 8.240 -0.026 0.074 0.506 143 R N -0.606 119.803 120.500 -0.152 0.000 2.048 143 R HA 0.012 4.141 4.340 -0.351 0.000 0.224 143 R C -0.054 176.018 176.300 -0.379 0.000 1.163 143 R CA 1.610 57.492 56.100 -0.362 0.000 0.956 143 R CB 1.321 31.322 30.300 -0.498 0.000 0.849 143 R HN -0.609 7.421 8.270 -0.100 0.180 0.435 144 Y N -2.372 117.938 120.300 0.016 0.000 2.332 144 Y HA 0.390 4.949 4.550 0.015 0.000 0.326 144 Y C -1.945 173.971 175.900 0.027 0.000 0.978 144 Y CA -3.596 54.518 58.100 0.023 0.000 1.205 144 Y CB 1.023 39.506 38.460 0.039 0.000 1.131 144 Y HN 0.172 8.342 8.280 -0.008 0.106 0.462 145 P HA 0.226 4.767 4.420 0.087 -0.069 0.291 145 P C -2.004 175.355 177.300 0.099 0.000 1.378 145 P CA -0.654 62.505 63.100 0.099 0.000 0.853 145 P CB -0.100 31.636 31.700 0.059 0.000 1.002 146 A N 4.073 126.954 122.820 0.102 0.000 1.535 146 A HA 0.121 4.491 4.320 0.083 0.000 0.215 146 A C 0.596 178.238 177.584 0.097 0.000 1.813 146 A CA 0.529 52.622 52.037 0.094 0.000 1.373 146 A CB 1.046 20.102 19.000 0.094 0.000 1.304 146 A HN -0.340 7.875 8.150 0.109 0.000 0.391 147 I N 1.550 122.181 120.570 0.103 0.000 2.300 147 I HA -0.489 3.927 4.170 0.096 -0.188 0.252 147 I C 2.213 178.395 176.117 0.109 0.000 1.119 147 I CA 3.642 65.007 61.300 0.107 0.000 1.384 147 I CB -0.158 37.916 38.000 0.122 0.000 1.062 147 I HN -0.485 7.793 8.210 0.114 0.000 0.426 148 A N -2.025 120.846 122.820 0.085 0.000 2.032 148 A HA -0.342 4.010 4.320 0.054 0.000 0.221 148 A C -0.073 177.561 177.584 0.084 0.000 1.165 148 A CA 2.413 54.488 52.037 0.064 0.000 0.645 148 A CB -0.510 18.510 19.000 0.033 0.000 0.807 148 A HN 0.388 8.532 8.150 0.080 0.054 0.453 149 N N -7.326 111.437 118.700 0.105 0.000 2.307 149 N HA 0.152 4.976 4.740 0.139 0.000 0.248 149 N C -1.755 173.879 175.510 0.207 0.000 1.322 149 N CA -0.340 52.791 53.050 0.136 0.000 0.861 149 N CB 2.162 40.711 38.487 0.104 0.000 1.303 149 N HN -0.141 8.149 8.380 0.104 0.152 0.498 150 N N 1.464 120.252 118.700 0.147 0.000 2.727 150 N HA 0.174 5.000 4.740 0.143 0.000 0.252 150 N C -2.512 172.938 175.510 -0.099 0.000 1.283 150 N CA 0.407 53.495 53.050 0.064 0.000 0.782 150 N CB 1.887 40.430 38.487 0.094 0.000 1.199 150 N HN -0.073 8.249 8.380 0.122 0.131 0.520 151 M N 1.498 120.943 119.600 -0.259 0.000 2.197 151 M HA 0.619 5.201 4.480 -0.090 -0.156 0.301 151 M C -0.904 175.053 176.300 -0.571 0.000 0.987 151 M CA -0.386 54.808 55.300 -0.176 0.000 0.921 151 M CB 2.941 35.675 32.600 0.223 0.000 1.569 151 M HN -0.033 8.045 8.290 -0.353 0.000 0.431 152 T N 2.486 116.759 114.554 -0.468 0.000 2.645 152 T HA 0.374 4.423 4.350 -0.502 0.000 0.300 152 T C -2.355 172.167 174.700 -0.297 0.000 1.210 152 T CA -1.926 59.874 62.100 -0.500 0.000 1.034 152 T CB 1.841 70.274 68.868 -0.725 0.000 1.537 152 T HN 0.360 8.428 8.240 -0.287 0.000 0.492 153 G N -0.278 108.342 108.800 -0.301 0.000 3.111 153 G HA2 0.426 4.014 3.960 -0.620 0.000 0.158 153 G HA3 0.426 4.367 3.960 -0.448 -0.250 0.158 153 G C -1.239 173.401 174.900 -0.433 0.000 1.161 153 G CA 1.022 45.829 45.100 -0.488 0.000 1.025 153 G HN 0.094 8.229 8.290 -0.258 0.000 0.619 154 H N -2.292 116.607 119.070 -0.286 0.000 2.855 154 H HA 0.368 4.769 4.556 -0.258 0.000 0.259 154 H C 0.456 175.686 175.328 -0.164 0.000 0.972 154 H CA -0.250 55.641 56.048 -0.262 0.000 1.213 154 H CB 2.405 31.964 29.762 -0.339 0.000 1.451 154 H HN 0.029 8.110 8.280 -0.561 -0.138 0.484 155 C N -1.404 117.863 119.300 -0.055 0.000 2.926 155 C HA 0.109 4.550 4.460 -0.031 0.000 0.272 155 C C -0.583 174.384 174.990 -0.039 0.000 1.249 155 C CA -0.875 58.120 59.018 -0.037 0.000 1.691 155 C CB 1.780 29.504 27.740 -0.027 0.000 1.983 155 C HN -0.051 8.000 8.230 -0.107 0.114 0.615 156 N N 0.577 119.240 118.700 -0.061 0.000 2.375 156 N HA -0.002 4.941 4.740 -0.056 -0.236 0.220 156 N C 0.437 175.946 175.510 -0.001 0.000 1.170 156 N CA -0.804 52.209 53.050 -0.062 0.000 0.833 156 N CB -0.271 38.135 38.487 -0.136 0.000 1.069 156 N HN -0.448 7.826 8.380 -0.092 0.051 0.479 157 I N -6.193 114.376 120.570 -0.001 0.000 2.916 157 I HA 0.059 4.482 4.170 0.060 -0.216 0.267 157 I C -0.380 175.751 176.117 0.024 0.000 1.263 157 I CA 1.719 63.033 61.300 0.025 0.000 1.471 157 I CB -1.264 36.733 38.000 -0.006 0.000 1.089 157 I HN -0.023 8.057 8.210 -0.020 0.118 0.468 158 A N -1.483 121.336 122.820 -0.001 0.000 1.472 158 A HA 0.303 4.592 4.320 -0.052 0.000 0.214 158 A C -2.497 175.058 177.584 -0.048 0.000 1.836 158 A CA 0.497 52.514 52.037 -0.035 0.000 1.436 158 A CB 0.100 19.075 19.000 -0.042 0.000 1.362 158 A HN -0.420 7.656 8.150 -0.006 0.071 0.359 159 P HA 0.240 4.624 4.420 -0.061 0.000 0.288 159 P C -0.861 176.390 177.300 -0.081 0.000 1.363 159 P CA -0.409 62.659 63.100 -0.054 0.000 0.837 159 P CB 0.060 31.740 31.700 -0.034 0.000 0.981 160 E N 5.094 125.209 120.200 -0.142 0.000 2.401 160 E HA -0.451 3.903 4.350 -0.340 -0.209 0.199 160 E C 0.780 177.248 176.600 -0.219 0.000 1.023 160 E CA 1.950 58.166 56.400 -0.307 0.000 0.859 160 E CB 0.189 29.625 29.700 -0.440 0.000 0.780 160 E HN 0.301 8.583 8.360 -0.129 0.000 0.523 161 R N -3.263 117.200 120.500 -0.062 0.000 2.316 161 R HA -0.213 4.197 4.340 0.117 0.000 0.202 161 R C -0.131 176.225 176.300 0.093 0.000 1.029 161 R CA 0.478 56.608 56.100 0.050 0.000 1.018 161 R CB -0.414 29.906 30.300 0.034 0.000 0.888 161 R HN -0.128 8.038 8.270 -0.067 0.064 0.471 162 K N -3.867 116.569 120.400 0.061 0.000 2.464 162 K HA 0.299 4.677 4.320 0.097 0.000 0.253 162 K C -1.850 174.787 176.600 0.062 0.000 0.933 162 K CA -1.257 55.071 56.287 0.067 0.000 0.801 162 K CB 2.795 35.310 32.500 0.025 0.000 1.271 162 K HN -0.420 7.763 8.250 0.008 0.073 0.430 163 T N -0.928 113.670 114.554 0.073 0.000 2.993 163 T HA 0.170 4.593 4.350 -0.014 -0.082 0.260 163 T C -0.873 173.792 174.700 -0.057 0.000 0.939 163 T CA 0.245 62.363 62.100 0.030 0.000 0.886 163 T CB 1.555 70.527 68.868 0.174 0.000 1.209 163 T HN 0.342 8.630 8.240 0.080 0.000 0.518 164 D N -1.450 118.937 120.400 -0.022 0.000 2.827 164 D HA 0.113 4.734 4.640 -0.032 0.000 0.336 164 D C -2.081 174.224 176.300 0.009 0.000 1.374 164 D CA -0.528 53.461 54.000 -0.018 0.000 0.794 164 D CB 2.337 43.139 40.800 0.003 0.000 1.364 164 D HN -0.551 7.825 8.370 0.010 0.000 0.464 165 P HA -0.022 4.406 4.420 0.014 0.000 0.226 165 P C -1.146 176.177 177.300 0.039 0.000 1.783 165 P CA -0.303 62.808 63.100 0.019 0.000 0.980 165 P CB -1.666 30.038 31.700 0.006 0.000 1.967 166 G N 0.724 109.550 108.800 0.044 0.000 2.525 166 G HA2 -0.047 3.952 3.960 0.065 0.000 0.234 166 G HA3 -0.047 3.963 3.960 0.084 0.000 0.234 166 G C -2.046 172.880 174.900 0.042 0.000 3.352 166 G CA -0.109 45.028 45.100 0.063 0.000 0.863 166 G HN -0.116 8.111 8.290 0.035 0.084 0.529 167 P HA 0.098 4.482 4.420 -0.060 0.000 0.195 167 P C -0.326 176.941 177.300 -0.056 0.000 1.086 167 P CA -0.275 62.819 63.100 -0.010 0.000 0.798 167 P CB 0.615 32.364 31.700 0.081 0.000 0.679 168 S N -1.668 114.014 115.700 -0.029 0.000 3.614 168 S HA -0.240 4.212 4.470 -0.031 0.000 0.360 168 S C -0.394 174.120 174.600 -0.143 0.000 1.023 168 S CA 0.897 59.070 58.200 -0.045 0.000 1.114 168 S CB -0.733 62.490 63.200 0.038 0.000 0.907 168 S HN 0.287 8.609 8.310 0.021 0.000 0.470 169 F N 0.437 120.068 119.950 -0.532 0.000 2.647 169 F HA 0.108 4.223 4.527 -0.686 0.000 0.300 169 F C -0.997 174.198 175.800 -1.009 0.000 1.106 169 F CA -0.966 56.539 58.000 -0.826 0.000 1.313 169 F CB 0.533 38.974 39.000 -0.931 0.000 1.007 169 F HN -0.241 7.912 8.300 -0.246 0.000 0.536 170 D N -0.406 119.646 120.400 -0.580 0.000 3.301 170 D HA -0.339 4.177 4.640 -0.207 0.000 0.220 170 D C 0.743 176.797 176.300 -0.411 0.000 1.173 170 D CA 0.813 54.565 54.000 -0.414 0.000 0.974 170 D CB -0.666 39.946 40.800 -0.313 0.000 0.853 170 D HN -0.178 7.886 8.370 -0.356 0.092 0.396 171 W N 2.395 123.684 121.300 -0.018 0.000 2.350 171 W HA -0.482 4.271 4.660 0.154 0.000 0.289 171 W C 1.015 177.563 176.519 0.048 0.000 1.215 171 W CA 2.711 60.097 57.345 0.069 0.000 1.236 171 W CB -0.139 29.367 29.460 0.077 0.000 1.130 171 W HN 0.291 8.410 8.180 -0.101 0.000 0.541 172 A N -1.469 121.454 122.820 0.172 0.000 1.873 172 A HA -0.297 4.106 4.320 0.138 0.000 0.215 172 A C 2.210 179.814 177.584 0.033 0.000 1.186 172 A CA 2.748 54.846 52.037 0.103 0.000 0.616 172 A CB -1.004 18.037 19.000 0.068 0.000 0.823 172 A HN -0.228 8.103 8.150 0.122 -0.109 0.442 173 R N -1.188 119.283 120.500 -0.048 0.000 2.082 173 R HA -0.325 3.988 4.340 -0.046 0.000 0.234 173 R C 2.300 178.551 176.300 -0.081 0.000 1.136 173 R CA 2.852 58.900 56.100 -0.087 0.000 0.935 173 R CB -0.296 29.903 30.300 -0.168 0.000 0.842 173 R HN -0.289 8.203 8.270 -0.087 -0.275 0.430 174 F N 0.714 120.466 119.950 -0.329 0.000 2.069 174 F HA -0.339 4.022 4.527 -0.277 0.000 0.298 174 F C 1.432 177.216 175.800 -0.027 0.000 1.113 174 F CA 3.311 61.147 58.000 -0.273 0.000 1.214 174 F CB 0.045 38.766 39.000 -0.466 0.000 0.978 174 F HN 0.152 8.323 8.300 -0.215 0.000 0.474 175 R N -1.116 119.463 120.500 0.131 0.000 2.120 175 R HA -0.466 3.906 4.340 0.054 0.000 0.234 175 R C 1.896 178.188 176.300 -0.013 0.000 1.123 175 R CA 2.788 58.947 56.100 0.099 0.000 0.975 175 R CB -0.203 30.244 30.300 0.245 0.000 0.866 175 R HN 0.046 8.483 8.270 0.279 0.000 0.446 176 A N -1.771 121.040 122.820 -0.015 0.000 1.898 176 A HA -0.215 4.103 4.320 -0.003 0.000 0.216 176 A C 1.638 179.185 177.584 -0.062 0.000 1.181 176 A CA 2.317 54.340 52.037 -0.023 0.000 0.620 176 A CB -0.514 18.480 19.000 -0.009 0.000 0.819 176 A HN -0.609 7.525 8.150 0.004 0.018 0.442 177 L N -2.945 118.203 121.223 -0.125 0.000 2.023 177 L HA -0.200 4.096 4.340 -0.073 0.000 0.205 177 L C 0.923 177.688 176.870 -0.176 0.000 1.073 177 L CA 1.553 56.310 54.840 -0.139 0.000 0.745 177 L CB 0.392 42.355 42.059 -0.160 0.000 0.900 177 L HN -0.601 7.454 8.230 -0.148 0.087 0.435 178 V N -2.628 117.081 119.914 -0.342 0.000 3.376 178 V HA -0.249 3.733 4.120 -0.230 0.000 0.303 178 V C -0.219 175.799 176.094 -0.126 0.000 1.100 178 V CA 0.267 62.386 62.300 -0.301 0.000 1.126 178 V CB 0.680 32.177 31.823 -0.543 0.000 1.085 178 V HN -0.252 7.650 8.190 -0.480 0.000 0.480 179 T N 1.791 116.295 114.554 -0.085 0.000 2.656 179 T HA -0.082 4.250 4.350 -0.030 0.000 0.263 179 T C -0.447 174.248 174.700 -0.008 0.000 1.017 179 T CA 1.357 63.430 62.100 -0.045 0.000 1.216 179 T CB -0.280 68.549 68.868 -0.066 0.000 0.989 179 T HN 0.095 8.275 8.240 -0.100 0.000 0.507 180 P HA 0.147 4.584 4.420 0.029 0.000 0.211 180 P C -0.896 176.425 177.300 0.035 0.000 1.856 180 P CA -1.408 61.709 63.100 0.029 0.000 0.962 180 P CB -0.587 31.131 31.700 0.030 0.000 1.785 181 S N -1.424 114.295 115.700 0.032 0.000 3.533 181 S HA -0.266 4.221 4.470 0.028 0.000 0.347 181 S C -0.897 173.722 174.600 0.031 0.000 1.101 181 S CA 1.412 59.630 58.200 0.031 0.000 1.009 181 S CB -0.391 62.828 63.200 0.032 0.000 0.916 181 S HN -0.155 8.108 8.310 0.030 0.065 0.496 182 S N -2.192 113.531 115.700 0.038 0.000 2.655 182 S HA 0.072 4.570 4.470 0.046 0.000 0.266 182 S C -1.976 172.679 174.600 0.091 0.000 1.149 182 S CA -0.478 57.756 58.200 0.057 0.000 0.818 182 S CB 0.759 63.995 63.200 0.060 0.000 1.130 182 S HN -0.726 7.578 8.310 0.033 0.027 0.476 183 H N 0.133 119.203 119.070 0.001 0.000 2.604 183 H HA -0.352 4.203 4.556 -0.001 0.000 0.321 183 H C -2.273 173.056 175.328 0.001 0.000 1.132 183 H CA 0.867 56.914 56.048 -0.002 0.000 1.129 183 H CB -0.405 29.353 29.762 -0.007 0.000 1.526 183 H HN 0.078 8.445 8.280 0.144 0.000 0.415 184 K N -0.899 119.470 120.400 -0.052 0.000 2.495 184 K HA 0.139 4.368 4.320 -0.153 0.000 0.268 184 K C -1.748 174.841 176.600 -0.018 0.000 1.008 184 K CA -0.685 55.554 56.287 -0.080 0.000 0.882 184 K CB 2.333 34.802 32.500 -0.051 0.000 1.443 184 K HN -0.214 8.056 8.250 0.033 0.000 0.447 185 E N 0.833 121.022 120.200 -0.018 0.000 2.459 185 E HA 0.160 4.515 4.350 0.008 0.000 0.275 185 E C -0.421 176.179 176.600 -0.000 0.000 0.987 185 E CA -0.842 55.557 56.400 -0.000 0.000 0.828 185 E CB 0.848 30.549 29.700 0.003 0.000 1.428 185 E HN 0.025 8.367 8.360 -0.031 0.000 0.457 186 M N -1.555 118.049 119.600 0.005 0.000 7.319 186 M HA -0.436 4.049 4.480 0.009 0.000 0.282 186 M C -0.774 175.532 176.300 0.011 0.000 0.480 186 M CA 1.970 57.275 55.300 0.008 0.000 1.311 186 M CB -0.307 32.297 32.600 0.008 0.000 0.421 186 M HN 0.361 8.655 8.290 0.007 0.000 0.421 187 T N 0.000 114.562 114.554 0.013 0.000 3.816 187 T HA 0.000 4.359 4.350 0.016 0.000 0.228 187 T CA 0.000 62.111 62.100 0.018 0.000 1.349 187 T CB 0.000 68.880 68.868 0.020 0.000 0.612 187 T HN 0.000 8.248 8.240 0.013 0.000 0.658