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 2fbb_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVFGRcELAA AMKRHGLDNY RGYSLGNWVc AAKFESNFNT QATNRNTDGS DATA SEQUENCE TDYGILQINS RWWcNDGRTP GSRNLcNIPc SALLSSDITA SVNcAKKIVS DATA SEQUENCE DGNGMNAWVA WRNRcKGTDV QAWIRGcRL 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 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1 K C 0.000 176.626 176.600 0.043 0.000 0.988 1 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 1 K CB 0.000 32.418 32.500 -0.137 0.000 1.064 2 V N 5.312 125.232 119.914 0.011 0.000 2.348 2 V HA 0.388 4.509 4.120 0.003 0.000 0.270 2 V C -0.183 175.936 176.094 0.042 0.000 1.037 2 V CA -0.471 61.888 62.300 0.099 0.000 0.872 2 V CB 0.012 31.889 31.823 0.090 0.000 1.002 2 V HN 0.533 8.723 8.190 -0.000 0.000 0.464 3 F N 2.703 122.683 119.950 0.050 0.000 2.418 3 F HA 0.530 5.058 4.527 0.002 0.000 0.341 3 F C 1.380 177.148 175.800 -0.054 0.000 1.120 3 F CA 0.452 58.432 58.000 -0.034 0.000 1.232 3 F CB 0.725 39.656 39.000 -0.116 0.000 1.175 3 F HN 0.560 8.860 8.300 -0.000 0.000 0.569 4 G N 2.061 110.902 108.800 0.069 0.000 2.569 4 G HA2 0.142 4.104 3.960 0.003 0.000 0.249 4 G HA3 0.142 4.104 3.960 0.003 0.000 0.249 4 G C 0.868 175.625 174.900 -0.239 0.000 1.216 4 G CA -0.520 44.576 45.100 -0.007 0.000 0.845 4 G HN 0.801 9.091 8.290 -0.000 0.000 0.568 5 R N 0.139 120.479 120.500 -0.267 0.000 2.088 5 R HA -0.143 4.199 4.340 0.003 0.000 0.232 5 R C 2.405 178.569 176.300 -0.228 0.000 1.136 5 R CA 2.257 58.100 56.100 -0.429 0.000 0.926 5 R CB -0.722 29.613 30.300 0.058 0.000 0.837 5 R HN 0.541 8.811 8.270 -0.000 0.000 0.429 6 c N 0.645 119.201 118.600 -0.075 0.000 2.432 6 c HA -0.008 4.563 4.570 0.003 0.000 0.280 6 c C 2.505 176.579 174.090 -0.025 0.000 1.353 6 c CA 0.564 56.875 56.329 -0.030 0.000 1.766 6 c CB -0.797 41.712 42.510 -0.000 0.000 1.924 6 c HN 0.652 8.882 8.230 -0.000 0.000 0.509 7 E N 0.608 120.803 120.200 -0.009 0.000 2.051 7 E HA -0.235 4.116 4.350 0.003 0.000 0.192 7 E C 2.047 178.718 176.600 0.117 0.000 0.991 7 E CA 1.116 57.564 56.400 0.080 0.000 0.799 7 E CB -0.149 29.622 29.700 0.118 0.000 0.748 7 E HN 0.495 8.855 8.360 -0.000 0.000 0.449 8 L N 0.800 122.007 121.223 -0.028 0.000 2.056 8 L HA -0.043 4.298 4.340 0.003 0.000 0.207 8 L C 2.282 179.010 176.870 -0.237 0.000 1.078 8 L CA 2.052 56.690 54.840 -0.337 0.000 0.749 8 L CB -0.755 40.929 42.059 -0.624 0.000 0.901 8 L HN 0.165 8.395 8.230 -0.000 0.000 0.433 9 A N -0.381 122.346 122.820 -0.155 0.000 1.892 9 A HA -0.209 4.113 4.320 0.003 0.000 0.218 9 A C 2.452 180.014 177.584 -0.036 0.000 1.188 9 A CA 2.171 54.171 52.037 -0.061 0.000 0.631 9 A CB -1.246 17.754 19.000 0.000 0.000 0.822 9 A HN 0.568 8.718 8.150 -0.000 0.000 0.447 10 A N -0.408 122.402 122.820 -0.018 0.000 1.898 10 A HA 0.192 4.513 4.320 0.003 0.000 0.216 10 A C 2.514 180.105 177.584 0.012 0.000 1.181 10 A CA 2.086 54.126 52.037 0.006 0.000 0.620 10 A CB -1.002 18.011 19.000 0.021 0.000 0.819 10 A HN 1.077 9.227 8.150 -0.000 0.000 0.442 11 A N -0.485 122.344 122.820 0.014 0.000 1.877 11 A HA -0.119 4.203 4.320 0.003 0.000 0.216 11 A C 2.262 179.859 177.584 0.022 0.000 1.186 11 A CA 1.811 53.879 52.037 0.052 0.000 0.620 11 A CB -0.561 18.461 19.000 0.037 0.000 0.822 11 A HN 0.518 8.668 8.150 -0.000 0.000 0.443 12 M N -0.848 118.687 119.600 -0.108 0.000 2.149 12 M HA -0.178 4.304 4.480 0.003 0.000 0.261 12 M C 2.271 178.510 176.300 -0.101 0.000 1.064 12 M CA 2.021 57.229 55.300 -0.154 0.000 1.102 12 M CB -0.303 32.179 32.600 -0.196 0.000 1.369 12 M HN 0.481 8.771 8.290 -0.000 0.000 0.408 13 K N 0.473 120.841 120.400 -0.052 0.000 2.002 13 K HA -0.165 4.156 4.320 0.003 0.000 0.209 13 K C 2.046 178.626 176.600 -0.035 0.000 1.048 13 K CA 1.475 57.743 56.287 -0.032 0.000 0.930 13 K CB -0.026 32.471 32.500 -0.004 0.000 0.714 13 K HN 0.226 8.476 8.250 -0.000 0.000 0.438 14 R N -0.554 119.933 120.500 -0.023 0.000 2.103 14 R HA -0.166 4.175 4.340 0.003 0.000 0.242 14 R C 1.885 178.097 176.300 -0.147 0.000 1.142 14 R CA 1.911 57.968 56.100 -0.072 0.000 0.960 14 R CB -0.403 29.859 30.300 -0.064 0.000 0.858 14 R HN 0.419 8.689 8.270 -0.000 0.000 0.439 15 H N -1.496 117.504 119.070 -0.117 0.000 2.547 15 H HA 0.139 4.696 4.556 0.002 0.000 0.266 15 H C 0.960 176.174 175.328 -0.190 0.000 0.988 15 H CA 0.723 56.681 56.048 -0.150 0.000 1.147 15 H CB 0.624 30.278 29.762 -0.180 0.000 1.365 15 H HN 0.512 8.792 8.280 -0.000 0.000 0.589 16 G N 0.172 108.920 108.800 -0.087 0.000 2.131 16 G HA2 -0.255 3.707 3.960 0.003 0.000 0.223 16 G HA3 -0.255 3.707 3.960 0.003 0.000 0.223 16 G C 0.906 175.710 174.900 -0.160 0.000 0.990 16 G CA 0.315 45.359 45.100 -0.093 0.000 0.671 16 G HN 0.415 8.705 8.290 -0.000 0.000 0.521 17 L N 0.019 121.057 121.223 -0.308 0.000 2.418 17 L HA 0.162 4.503 4.340 0.003 0.000 0.218 17 L C 1.258 178.000 176.870 -0.213 0.000 1.125 17 L CA 0.286 54.772 54.840 -0.590 0.000 0.835 17 L CB -0.030 41.361 42.059 -1.114 0.000 0.953 17 L HN 0.219 8.449 8.230 -0.000 0.000 0.454 18 D N 1.031 121.414 120.400 -0.029 0.000 2.389 18 D HA -0.063 4.579 4.640 0.003 0.000 0.263 18 D C 0.610 177.010 176.300 0.167 0.000 1.255 18 D CA 0.508 54.579 54.000 0.119 0.000 0.914 18 D CB 0.169 41.019 40.800 0.082 0.000 1.116 18 D HN 0.031 8.401 8.370 -0.000 0.000 0.502 19 N N 2.344 121.202 118.700 0.263 0.000 2.782 19 N HA -0.300 4.442 4.740 0.003 0.000 0.251 19 N C -1.011 174.635 175.510 0.227 0.000 1.101 19 N CA 0.382 53.562 53.050 0.217 0.000 0.764 19 N CB -1.902 36.652 38.487 0.113 0.000 1.122 19 N HN 0.499 8.879 8.380 -0.000 0.000 0.561 20 Y N 2.009 122.436 120.300 0.212 0.000 2.650 20 Y HA 0.117 4.668 4.550 0.002 0.000 0.331 20 Y C 0.989 177.085 175.900 0.326 0.000 1.165 20 Y CA 0.372 58.583 58.100 0.184 0.000 1.473 20 Y CB 0.307 38.789 38.460 0.036 0.000 1.224 20 Y HN 0.142 8.422 8.280 -0.000 0.000 0.533 21 R N 4.141 124.413 120.500 -0.381 0.000 3.627 21 R HA -0.232 4.109 4.340 0.003 0.000 0.281 21 R C 1.010 177.234 176.300 -0.125 0.000 1.140 21 R CA 0.984 56.952 56.100 -0.220 0.000 0.761 21 R CB -2.196 28.020 30.300 -0.140 0.000 1.181 21 R HN 1.401 9.671 8.270 -0.000 0.000 0.472 22 G N -1.348 107.400 108.800 -0.088 0.000 2.179 22 G HA2 -0.363 3.599 3.960 0.003 0.000 0.260 22 G HA3 -0.363 3.599 3.960 0.003 0.000 0.260 22 G C -0.232 174.552 174.900 -0.194 0.000 0.977 22 G CA 0.449 45.452 45.100 -0.161 0.000 0.641 22 G HN 0.386 8.676 8.290 -0.000 0.000 0.533 23 Y N 2.493 122.887 120.300 0.157 0.000 2.404 23 Y HA 0.518 5.069 4.550 0.002 0.000 0.344 23 Y C 1.268 177.348 175.900 0.299 0.000 0.970 23 Y CA -0.375 57.813 58.100 0.148 0.000 1.180 23 Y CB 0.965 39.414 38.460 -0.019 0.000 1.138 23 Y HN 0.381 8.661 8.280 -0.000 0.000 0.510 24 S N 2.537 118.425 115.700 0.312 0.000 2.576 24 S HA -0.023 4.448 4.470 0.003 0.000 0.272 24 S C 1.252 176.080 174.600 0.380 0.000 1.352 24 S CA -0.766 57.606 58.200 0.288 0.000 1.021 24 S CB 0.755 64.074 63.200 0.199 0.000 0.887 24 S HN 0.760 9.070 8.310 -0.000 0.000 0.542 25 L N 3.099 124.525 121.223 0.339 0.000 2.051 25 L HA -0.007 4.335 4.340 0.003 0.000 0.214 25 L C 2.435 179.500 176.870 0.325 0.000 1.076 25 L CA 2.585 57.639 54.840 0.357 0.000 0.758 25 L CB -1.580 40.596 42.059 0.194 0.000 0.890 25 L HN 1.009 9.239 8.230 -0.000 0.000 0.433 26 G N -0.916 108.042 108.800 0.263 0.000 2.450 26 G HA2 -0.323 3.639 3.960 0.003 0.000 0.220 26 G HA3 -0.323 3.639 3.960 0.003 0.000 0.220 26 G C 1.473 176.469 174.900 0.161 0.000 1.130 26 G CA 0.851 46.116 45.100 0.275 0.000 0.760 26 G HN 0.525 8.815 8.290 -0.000 0.000 0.557 27 N N 0.370 119.140 118.700 0.117 0.000 2.104 27 N HA -0.142 4.600 4.740 0.003 0.000 0.190 27 N C 1.968 177.322 175.510 -0.261 0.000 1.024 27 N CA 1.525 54.561 53.050 -0.024 0.000 0.853 27 N CB -0.310 38.082 38.487 -0.158 0.000 1.008 27 N HN 0.615 8.995 8.380 -0.000 0.000 0.424 28 W N 1.071 122.288 121.300 -0.138 0.000 2.418 28 W HA 0.033 4.693 4.660 0.001 0.000 0.292 28 W C 2.384 178.744 176.519 -0.265 0.000 1.213 28 W CA -0.108 57.066 57.345 -0.286 0.000 1.283 28 W CB -0.915 28.387 29.460 -0.263 0.000 1.119 28 W HN -0.208 7.972 8.180 -0.000 0.000 0.542 29 V N -0.045 119.887 119.914 0.030 0.000 2.295 29 V HA -0.349 3.773 4.120 0.003 0.000 0.246 29 V C 2.270 178.162 176.094 -0.335 0.000 1.049 29 V CA 1.844 64.130 62.300 -0.022 0.000 1.024 29 V CB -1.335 30.561 31.823 0.122 0.000 0.648 29 V HN 0.439 8.629 8.190 -0.000 0.000 0.447 30 c N 0.409 118.565 118.600 -0.739 0.000 2.413 30 c HA -0.146 4.425 4.570 0.003 0.000 0.276 30 c C 3.100 176.843 174.090 -0.580 0.000 1.236 30 c CA 0.996 56.533 56.329 -1.321 0.000 1.735 30 c CB -1.247 40.664 42.510 -0.997 0.000 2.031 30 c HN 0.591 8.821 8.230 -0.000 0.000 0.474 31 A N 0.348 122.984 122.820 -0.306 0.000 1.877 31 A HA 0.070 4.392 4.320 0.003 0.000 0.216 31 A C 2.491 179.917 177.584 -0.263 0.000 1.186 31 A CA 2.380 54.281 52.037 -0.228 0.000 0.620 31 A CB -1.246 17.483 19.000 -0.452 0.000 0.822 31 A HN 0.881 9.031 8.150 -0.000 0.000 0.443 32 A N -0.182 122.482 122.820 -0.260 0.000 1.933 32 A HA -0.156 4.166 4.320 0.003 0.000 0.218 32 A C 2.055 179.455 177.584 -0.306 0.000 1.175 32 A CA 2.402 54.345 52.037 -0.157 0.000 0.628 32 A CB -0.423 18.586 19.000 0.015 0.000 0.814 32 A HN 0.494 8.644 8.150 -0.000 0.000 0.444 33 K N -0.532 119.496 120.400 -0.620 0.000 2.009 33 K HA -0.124 4.198 4.320 0.003 0.000 0.210 33 K C 1.277 177.368 176.600 -0.848 0.000 1.049 33 K CA 2.004 57.555 56.287 -1.226 0.000 0.929 33 K CB -0.622 30.986 32.500 -1.486 0.000 0.714 33 K HN 0.372 8.622 8.250 -0.000 0.000 0.440 34 F N 1.033 120.788 119.950 -0.325 0.000 2.615 34 F HA 0.125 4.653 4.527 0.001 0.000 0.297 34 F C 2.082 177.814 175.800 -0.114 0.000 1.124 34 F CA 0.485 58.376 58.000 -0.181 0.000 1.451 34 F CB -0.015 38.904 39.000 -0.135 0.000 1.103 34 F HN 0.069 8.369 8.300 -0.000 0.000 0.569 35 E N -0.141 120.064 120.200 0.008 0.000 2.051 35 E HA -0.084 4.267 4.350 0.003 0.000 0.189 35 E C 2.048 178.648 176.600 -0.000 0.000 0.979 35 E CA 1.739 58.163 56.400 0.039 0.000 0.803 35 E CB -0.387 29.344 29.700 0.053 0.000 0.761 35 E HN 0.388 8.748 8.360 -0.000 0.000 0.451 36 S N -0.861 114.799 115.700 -0.067 0.000 2.733 36 S HA 0.104 4.576 4.470 0.003 0.000 0.247 36 S C 0.505 175.053 174.600 -0.087 0.000 1.043 36 S CA 0.135 58.313 58.200 -0.037 0.000 1.066 36 S CB 0.262 63.470 63.200 0.014 0.000 1.045 36 S HN 0.051 8.361 8.310 -0.000 0.000 0.586 37 N N 1.190 119.736 118.700 -0.257 0.000 2.708 37 N HA -0.222 4.520 4.740 0.003 0.000 0.249 37 N C -0.515 174.878 175.510 -0.194 0.000 1.097 37 N CA 0.954 53.785 53.050 -0.364 0.000 0.710 37 N CB -2.224 36.166 38.487 -0.162 0.000 1.032 37 N HN 0.583 8.963 8.380 -0.000 0.000 0.551 38 F N -3.930 116.008 119.950 -0.021 0.000 2.953 38 F HA -0.268 4.260 4.527 0.002 0.000 0.292 38 F C 0.749 176.616 175.800 0.113 0.000 0.747 38 F CA 0.634 58.651 58.000 0.029 0.000 1.222 38 F CB -2.150 36.895 39.000 0.074 0.000 1.457 38 F HN 0.369 8.669 8.300 -0.000 0.000 0.383 39 N N 0.947 119.773 118.700 0.209 0.000 2.439 39 N HA 0.297 5.038 4.740 0.003 0.000 0.249 39 N C 1.184 176.788 175.510 0.157 0.000 1.003 39 N CA 0.580 53.733 53.050 0.172 0.000 0.942 39 N CB 1.185 39.734 38.487 0.104 0.000 1.115 39 N HN 0.218 8.598 8.380 -0.000 0.000 0.505 40 T N 0.696 115.367 114.554 0.195 0.000 2.929 40 T HA -0.118 4.233 4.350 0.003 0.000 0.271 40 T C 1.065 175.839 174.700 0.125 0.000 1.085 40 T CA 1.081 63.277 62.100 0.161 0.000 1.125 40 T CB -0.021 68.960 68.868 0.190 0.000 0.874 40 T HN 0.408 8.648 8.240 -0.000 0.000 0.494 41 Q N 0.890 120.754 119.800 0.107 0.000 2.444 41 Q HA 0.407 4.749 4.340 0.003 0.000 0.206 41 Q C 1.037 177.084 176.000 0.077 0.000 0.948 41 Q CA 0.251 56.108 55.803 0.091 0.000 0.946 41 Q CB -0.174 28.606 28.738 0.070 0.000 1.027 41 Q HN 0.775 9.045 8.270 -0.000 0.000 0.513 42 A N 1.862 124.725 122.820 0.072 0.000 2.546 42 A HA 0.237 4.559 4.320 0.003 0.000 0.243 42 A C 0.446 178.041 177.584 0.018 0.000 1.063 42 A CA 0.508 52.571 52.037 0.042 0.000 0.757 42 A CB -0.002 19.023 19.000 0.042 0.000 0.991 42 A HN 0.244 8.394 8.150 -0.000 0.000 0.503 43 T N -0.065 114.468 114.554 -0.034 0.000 2.909 43 T HA 0.624 4.976 4.350 0.003 0.000 0.299 43 T C -0.884 173.745 174.700 -0.118 0.000 1.073 43 T CA -0.875 61.140 62.100 -0.141 0.000 0.999 43 T CB 1.574 70.332 68.868 -0.183 0.000 1.098 43 T HN 0.731 8.971 8.240 -0.000 0.000 0.477 44 N N 0.561 119.164 118.700 -0.162 0.000 2.430 44 N HA 0.360 5.102 4.740 0.003 0.000 0.290 44 N C -1.012 174.431 175.510 -0.112 0.000 1.063 44 N CA -0.687 52.305 53.050 -0.096 0.000 0.883 44 N CB 1.637 40.097 38.487 -0.044 0.000 1.465 44 N HN 0.557 8.937 8.380 -0.000 0.000 0.493 45 R N 2.376 122.829 120.500 -0.077 0.000 2.308 45 R HA 0.315 4.657 4.340 0.003 0.000 0.305 45 R C -0.556 175.729 176.300 -0.025 0.000 1.053 45 R CA -0.427 55.640 56.100 -0.056 0.000 0.957 45 R CB 0.470 30.747 30.300 -0.039 0.000 1.022 45 R HN 0.646 8.916 8.270 -0.000 0.000 0.461 46 N N -0.536 118.157 118.700 -0.012 0.000 2.489 46 N HA 0.102 4.843 4.740 0.003 0.000 0.284 46 N C 1.014 176.529 175.510 0.007 0.000 1.158 46 N CA -0.459 52.594 53.050 0.005 0.000 0.965 46 N CB 1.320 39.818 38.487 0.019 0.000 1.195 46 N HN 0.474 8.854 8.380 -0.000 0.000 0.506 47 T N -2.769 111.791 114.554 0.010 0.000 2.915 47 T HA -0.180 4.172 4.350 0.003 0.000 0.269 47 T C 1.028 175.734 174.700 0.011 0.000 1.071 47 T CA 1.081 63.186 62.100 0.009 0.000 1.132 47 T CB -0.347 68.527 68.868 0.010 0.000 0.878 47 T HN 0.678 8.918 8.240 -0.000 0.000 0.479 48 D N 1.429 121.839 120.400 0.015 0.000 2.363 48 D HA 0.170 4.811 4.640 0.003 0.000 0.226 48 D C 1.664 177.971 176.300 0.011 0.000 1.020 48 D CA 0.618 54.627 54.000 0.015 0.000 0.892 48 D CB -0.928 39.886 40.800 0.024 0.000 0.900 48 D HN 0.603 8.973 8.370 -0.000 0.000 0.531 49 G N -0.014 108.793 108.800 0.011 0.000 2.176 49 G HA2 -0.292 3.669 3.960 0.003 0.000 0.253 49 G HA3 -0.292 3.669 3.960 0.003 0.000 0.253 49 G C 0.423 175.335 174.900 0.020 0.000 0.979 49 G CA 0.532 45.639 45.100 0.011 0.000 0.641 49 G HN 0.851 9.141 8.290 -0.000 0.000 0.530 50 S N -0.599 115.118 115.700 0.028 0.000 2.645 50 S HA 0.791 5.263 4.470 0.003 0.000 0.266 50 S C -0.018 174.604 174.600 0.037 0.000 1.258 50 S CA 0.629 58.860 58.200 0.053 0.000 0.990 50 S CB 2.163 65.403 63.200 0.068 0.000 0.967 50 S HN 0.733 9.043 8.310 -0.000 0.000 0.556 51 T N 1.374 115.962 114.554 0.057 0.000 2.912 51 T HA 0.463 4.815 4.350 0.003 0.000 0.299 51 T C -1.705 172.921 174.700 -0.123 0.000 1.052 51 T CA -0.761 61.269 62.100 -0.117 0.000 0.996 51 T CB 1.463 70.160 68.868 -0.285 0.000 1.070 51 T HN 0.645 8.885 8.240 -0.000 0.000 0.465 52 D N 1.518 121.788 120.400 -0.218 0.000 2.177 52 D HA 0.439 5.080 4.640 0.003 0.000 0.247 52 D C -0.938 175.215 176.300 -0.245 0.000 1.063 52 D CA -0.018 53.938 54.000 -0.073 0.000 0.867 52 D CB 1.191 41.995 40.800 0.008 0.000 1.168 52 D HN 0.425 8.795 8.370 -0.000 0.000 0.445 53 Y N 0.084 120.441 120.300 0.094 0.000 2.425 53 Y HA 0.510 5.061 4.550 0.002 0.000 0.344 53 Y C 1.028 176.976 175.900 0.081 0.000 0.969 53 Y CA -0.440 57.708 58.100 0.080 0.000 1.052 53 Y CB 2.264 40.769 38.460 0.076 0.000 1.215 53 Y HN 0.661 8.941 8.280 -0.000 0.000 0.451 54 G N 1.636 110.562 108.800 0.210 0.000 2.698 54 G HA2 -0.247 3.715 3.960 0.003 0.000 0.225 54 G HA3 -0.247 3.715 3.960 0.003 0.000 0.225 54 G C 0.753 175.716 174.900 0.106 0.000 1.345 54 G CA -0.247 44.944 45.100 0.152 0.000 0.871 54 G HN 1.164 9.454 8.290 -0.000 0.000 0.540 55 I N -2.074 118.537 120.570 0.069 0.000 2.423 55 I HA 0.079 4.251 4.170 0.003 0.000 0.254 55 I C 1.904 178.027 176.117 0.010 0.000 1.151 55 I CA 1.827 63.146 61.300 0.032 0.000 1.421 55 I CB -0.277 37.701 38.000 -0.037 0.000 1.079 55 I HN 0.306 8.516 8.210 -0.000 0.000 0.431 56 L N 0.935 122.185 121.223 0.044 0.000 2.910 56 L HA 0.249 4.591 4.340 0.003 0.000 0.252 56 L C 0.100 177.152 176.870 0.304 0.000 1.195 56 L CA -0.155 54.735 54.840 0.082 0.000 1.003 56 L CB 0.056 42.127 42.059 0.019 0.000 1.328 56 L HN 0.232 8.462 8.230 -0.000 0.000 0.540 57 Q N 0.958 120.885 119.800 0.211 0.000 2.439 57 Q HA -0.191 4.150 4.340 0.003 0.000 0.325 57 Q C -0.085 176.063 176.000 0.246 0.000 1.372 57 Q CA 0.970 56.897 55.803 0.207 0.000 0.909 57 Q CB -1.672 27.168 28.738 0.169 0.000 1.167 57 Q HN 0.516 8.786 8.270 -0.000 0.000 0.418 58 I N 1.099 121.826 120.570 0.262 0.000 2.496 58 I HA 0.048 4.220 4.170 0.003 0.000 0.285 58 I C 1.249 177.554 176.117 0.314 0.000 1.080 58 I CA 0.124 61.557 61.300 0.221 0.000 1.404 58 I CB 0.523 38.623 38.000 0.166 0.000 1.403 58 I HN 0.154 8.364 8.210 -0.000 0.000 0.539 59 N N 3.648 122.555 118.700 0.346 0.000 2.498 59 N HA 0.065 4.806 4.740 0.003 0.000 0.287 59 N C 0.857 176.600 175.510 0.389 0.000 1.097 59 N CA -0.223 53.042 53.050 0.359 0.000 0.973 59 N CB 1.518 40.182 38.487 0.294 0.000 1.153 59 N HN 0.680 9.060 8.380 -0.000 0.000 0.472 60 S N 2.941 118.829 115.700 0.313 0.000 2.561 60 S HA -0.055 4.416 4.470 0.003 0.000 0.225 60 S C 1.688 176.322 174.600 0.057 0.000 0.977 60 S CA 0.254 58.579 58.200 0.208 0.000 0.926 60 S CB -0.005 63.352 63.200 0.261 0.000 0.769 60 S HN 0.687 8.997 8.310 -0.000 0.000 0.533 61 R N -0.502 120.032 120.500 0.056 0.000 2.115 61 R HA 0.016 4.358 4.340 0.003 0.000 0.230 61 R C 1.110 177.119 176.300 -0.484 0.000 1.111 61 R CA 1.713 57.736 56.100 -0.129 0.000 0.976 61 R CB -0.079 30.243 30.300 0.036 0.000 0.870 61 R HN 0.608 8.878 8.270 -0.000 0.000 0.445 62 W N -3.097 118.038 121.300 -0.274 0.000 3.231 62 W HA 0.231 4.893 4.660 0.003 0.000 0.234 62 W C 0.968 177.101 176.519 -0.644 0.000 1.099 62 W CA -0.630 56.340 57.345 -0.624 0.000 1.467 62 W CB -0.014 28.811 29.460 -1.058 0.000 0.800 62 W HN -0.005 8.175 8.180 -0.000 0.000 0.739 63 W N -0.153 121.249 121.300 0.170 0.000 2.907 63 W HA 0.268 4.930 4.660 0.004 0.000 0.271 63 W C 0.717 177.262 176.519 0.044 0.000 1.253 63 W CA 0.182 57.593 57.345 0.110 0.000 1.501 63 W CB 0.018 29.535 29.460 0.095 0.000 1.047 63 W HN -0.304 7.876 8.180 -0.000 0.000 0.610 64 c N -1.433 117.270 118.600 0.171 0.000 3.241 64 c HA 0.520 5.092 4.570 0.003 0.000 0.312 64 c C -0.647 173.431 174.090 -0.020 0.000 1.350 64 c CA -1.303 55.058 56.329 0.053 0.000 1.415 64 c CB 1.059 43.571 42.510 0.004 0.000 1.770 64 c HN 0.241 8.471 8.230 -0.000 0.000 0.466 65 N N 0.857 119.523 118.700 -0.055 0.000 2.425 65 N HA 0.352 5.093 4.740 0.003 0.000 0.268 65 N C -0.428 175.030 175.510 -0.087 0.000 0.991 65 N CA -0.087 52.924 53.050 -0.064 0.000 0.931 65 N CB 1.191 39.645 38.487 -0.055 0.000 1.130 65 N HN 0.901 9.281 8.380 -0.000 0.000 0.493 66 D N 2.642 123.009 120.400 -0.055 0.000 2.433 66 D HA 0.156 4.797 4.640 0.003 0.000 0.211 66 D C 1.134 177.434 176.300 0.000 0.000 1.114 66 D CA 0.095 54.077 54.000 -0.031 0.000 0.837 66 D CB -0.057 40.774 40.800 0.051 0.000 0.984 66 D HN 0.775 9.145 8.370 -0.000 0.000 0.505 67 G N 2.059 110.849 108.800 -0.015 0.000 2.166 67 G HA2 -0.394 3.567 3.960 0.003 0.000 0.260 67 G HA3 -0.394 3.567 3.960 0.003 0.000 0.260 67 G C 0.899 175.797 174.900 -0.003 0.000 0.986 67 G CA 0.701 45.793 45.100 -0.013 0.000 0.683 67 G HN 0.672 8.962 8.290 -0.000 0.000 0.527 68 R N -1.475 119.031 120.500 0.009 0.000 2.527 68 R HA 0.282 4.623 4.340 0.003 0.000 0.402 68 R C -0.265 176.041 176.300 0.009 0.000 0.933 68 R CA 0.329 56.436 56.100 0.013 0.000 1.171 68 R CB -0.022 30.296 30.300 0.030 0.000 1.612 68 R HN 0.156 8.426 8.270 -0.000 0.000 0.546 69 T N 4.193 118.745 114.554 -0.003 0.000 3.145 69 T HA 0.334 4.686 4.350 0.003 0.000 0.362 69 T C -2.584 172.083 174.700 -0.056 0.000 1.340 69 T CA -1.509 60.580 62.100 -0.019 0.000 1.069 69 T CB 1.339 70.202 68.868 -0.009 0.000 1.129 69 T HN 0.098 8.338 8.240 -0.000 0.000 0.585 70 P HA 0.274 4.694 4.420 -0.000 0.000 0.268 70 P C 0.985 178.229 177.300 -0.092 0.000 1.205 70 P CA 0.358 63.421 63.100 -0.060 0.000 0.771 70 P CB 0.375 32.050 31.700 -0.042 0.000 0.858 71 G N 1.322 110.059 108.800 -0.106 0.000 2.249 71 G HA2 -0.187 3.774 3.960 0.003 0.000 0.273 71 G HA3 -0.187 3.774 3.960 0.003 0.000 0.273 71 G C 0.293 175.057 174.900 -0.227 0.000 1.036 71 G CA 0.412 45.428 45.100 -0.139 0.000 0.824 71 G HN 0.868 9.158 8.290 -0.000 0.000 0.504 72 S N -1.701 113.851 115.700 -0.246 0.000 2.768 72 S HA 0.918 5.389 4.470 0.003 0.000 0.300 72 S C 0.253 174.597 174.600 -0.427 0.000 1.122 72 S CA -0.661 57.305 58.200 -0.389 0.000 0.995 72 S CB 2.126 65.150 63.200 -0.292 0.000 1.195 72 S HN 0.488 8.798 8.310 -0.000 0.000 0.547 73 R N 0.011 120.165 120.500 -0.577 0.000 2.923 73 R HA 0.607 4.949 4.340 0.003 0.000 0.252 73 R C -0.904 175.245 176.300 -0.252 0.000 1.130 73 R CA -0.701 55.135 56.100 -0.440 0.000 1.043 73 R CB 0.569 30.496 30.300 -0.621 0.000 1.205 73 R HN 0.707 8.977 8.270 -0.000 0.000 0.495 74 N N 0.955 119.569 118.700 -0.142 0.000 2.726 74 N HA 0.168 4.910 4.740 0.003 0.000 0.253 74 N C -0.333 175.186 175.510 0.014 0.000 1.530 74 N CA 0.012 53.033 53.050 -0.047 0.000 0.772 74 N CB 0.324 38.786 38.487 -0.041 0.000 1.220 74 N HN 0.583 8.963 8.380 -0.000 0.000 0.508 75 L N -0.438 120.809 121.223 0.039 0.000 2.201 75 L HA -0.024 4.318 4.340 0.003 0.000 0.212 75 L C 1.463 178.462 176.870 0.215 0.000 1.105 75 L CA 0.822 55.731 54.840 0.116 0.000 0.775 75 L CB -0.076 42.021 42.059 0.064 0.000 0.913 75 L HN 0.462 8.692 8.230 -0.000 0.000 0.440 76 c N -0.156 118.603 118.600 0.265 0.000 2.562 76 c HA 0.086 4.658 4.570 0.003 0.000 0.266 76 c C 1.025 175.177 174.090 0.105 0.000 1.382 76 c CA -0.294 56.152 56.329 0.196 0.000 1.742 76 c CB -1.808 40.825 42.510 0.205 0.000 1.812 76 c HN 0.651 8.881 8.230 -0.000 0.000 0.559 77 N N 0.777 119.523 118.700 0.078 0.000 2.738 77 N HA -0.172 4.570 4.740 0.003 0.000 0.249 77 N C -0.584 174.940 175.510 0.024 0.000 1.047 77 N CA 0.840 53.914 53.050 0.039 0.000 0.707 77 N CB -1.190 37.319 38.487 0.037 0.000 0.937 77 N HN 0.789 9.169 8.380 -0.000 0.000 0.545 78 I N -4.688 115.893 120.570 0.019 0.000 2.969 78 I HA 0.731 4.902 4.170 0.003 0.000 0.307 78 I C -2.686 173.413 176.117 -0.031 0.000 1.149 78 I CA -2.590 58.708 61.300 -0.003 0.000 1.008 78 I CB 2.583 40.583 38.000 0.000 0.000 1.232 78 I HN -0.296 7.914 8.210 -0.000 0.000 0.435 79 P HA 0.164 4.584 4.420 -0.000 0.000 0.275 79 P C 0.391 177.600 177.300 -0.151 0.000 1.227 79 P CA -0.206 62.842 63.100 -0.087 0.000 0.781 79 P CB 1.377 33.038 31.700 -0.065 0.000 0.906 80 c N 1.575 120.007 118.600 -0.281 0.000 2.419 80 c HA -0.118 4.453 4.570 0.003 0.000 0.281 80 c C 2.955 176.756 174.090 -0.481 0.000 1.336 80 c CA 1.663 57.659 56.329 -0.555 0.000 1.770 80 c CB -1.888 39.884 42.510 -1.230 0.000 1.929 80 c HN 0.721 8.951 8.230 -0.000 0.000 0.509 81 S N 2.034 117.567 115.700 -0.279 0.000 2.419 81 S HA -0.150 4.322 4.470 0.003 0.000 0.235 81 S C 1.927 176.497 174.600 -0.051 0.000 1.019 81 S CA 1.394 59.530 58.200 -0.106 0.000 0.982 81 S CB -0.509 62.662 63.200 -0.049 0.000 0.789 81 S HN 0.647 8.957 8.310 -0.000 0.000 0.490 82 A N 1.723 124.505 122.820 -0.063 0.000 2.024 82 A HA 0.160 4.481 4.320 0.003 0.000 0.220 82 A C 2.129 179.708 177.584 -0.009 0.000 1.164 82 A CA 1.225 53.246 52.037 -0.027 0.000 0.643 82 A CB -0.766 18.218 19.000 -0.027 0.000 0.806 82 A HN 0.608 8.758 8.150 -0.000 0.000 0.451 83 L N -0.785 120.431 121.223 -0.012 0.000 2.599 83 L HA 0.081 4.423 4.340 0.003 0.000 0.230 83 L C 1.354 178.275 176.870 0.085 0.000 1.141 83 L CA 0.122 54.985 54.840 0.038 0.000 0.877 83 L CB -0.153 41.947 42.059 0.069 0.000 1.009 83 L HN 0.349 8.579 8.230 -0.000 0.000 0.447 84 L N -1.766 119.506 121.223 0.082 0.000 2.640 84 L HA 0.149 4.491 4.340 0.003 0.000 0.230 84 L C 1.243 178.163 176.870 0.083 0.000 1.123 84 L CA -0.116 54.787 54.840 0.105 0.000 0.900 84 L CB 0.211 42.343 42.059 0.121 0.000 1.146 84 L HN 0.059 8.289 8.230 -0.000 0.000 0.484 85 S N -0.114 115.624 115.700 0.063 0.000 2.585 85 S HA 0.039 4.510 4.470 0.003 0.000 0.273 85 S C 1.530 176.185 174.600 0.091 0.000 1.339 85 S CA 0.024 58.259 58.200 0.058 0.000 1.028 85 S CB 1.166 64.388 63.200 0.037 0.000 0.906 85 S HN 0.384 8.694 8.310 -0.000 0.000 0.528 86 S N 2.066 117.814 115.700 0.079 0.000 2.442 86 S HA -0.105 4.367 4.470 0.003 0.000 0.236 86 S C 0.510 175.197 174.600 0.144 0.000 1.007 86 S CA 0.657 58.918 58.200 0.102 0.000 0.965 86 S CB -0.375 62.830 63.200 0.009 0.000 0.773 86 S HN 0.792 9.102 8.310 -0.000 0.000 0.504 87 D N 2.078 122.529 120.400 0.084 0.000 2.365 87 D HA 0.157 4.799 4.640 0.003 0.000 0.237 87 D C 1.034 177.334 176.300 0.000 0.000 1.190 87 D CA -0.664 53.373 54.000 0.060 0.000 0.867 87 D CB 0.439 41.264 40.800 0.042 0.000 1.050 87 D HN 0.482 8.852 8.370 -0.000 0.000 0.491 88 I N 0.952 121.476 120.570 -0.077 0.000 3.444 88 I HA -0.048 4.124 4.170 0.003 0.000 0.287 88 I C 1.182 177.096 176.117 -0.338 0.000 1.302 88 I CA -0.041 61.123 61.300 -0.226 0.000 1.368 88 I CB -0.249 37.536 38.000 -0.358 0.000 1.048 88 I HN 0.082 8.292 8.210 -0.000 0.000 0.487 89 T N 1.942 116.336 114.554 -0.267 0.000 2.635 89 T HA -0.222 4.129 4.350 0.003 0.000 0.267 89 T C 2.137 176.763 174.700 -0.123 0.000 1.040 89 T CA 2.197 64.192 62.100 -0.174 0.000 1.156 89 T CB -0.299 68.579 68.868 0.016 0.000 0.863 89 T HN 0.657 8.897 8.240 -0.000 0.000 0.430 90 A N 0.966 123.739 122.820 -0.077 0.000 1.898 90 A HA -0.060 4.262 4.320 0.003 0.000 0.216 90 A C 2.642 180.187 177.584 -0.065 0.000 1.181 90 A CA 1.894 53.901 52.037 -0.050 0.000 0.620 90 A CB -0.868 18.117 19.000 -0.025 0.000 0.819 90 A HN 0.426 8.576 8.150 -0.000 0.000 0.442 91 S N -0.464 115.186 115.700 -0.084 0.000 2.368 91 S HA -0.133 4.339 4.470 0.003 0.000 0.225 91 S C 1.925 176.439 174.600 -0.142 0.000 1.030 91 S CA 1.485 59.636 58.200 -0.082 0.000 0.999 91 S CB -0.419 62.733 63.200 -0.080 0.000 0.844 91 S HN 0.357 8.667 8.310 -0.000 0.000 0.459 92 V N 2.452 122.228 119.914 -0.230 0.000 2.295 92 V HA -0.213 3.909 4.120 0.003 0.000 0.246 92 V C 1.905 177.843 176.094 -0.260 0.000 1.049 92 V CA 1.793 63.911 62.300 -0.304 0.000 1.024 92 V CB -0.948 30.656 31.823 -0.366 0.000 0.648 92 V HN 0.507 8.697 8.190 -0.000 0.000 0.447 93 N N -0.889 117.708 118.700 -0.172 0.000 2.104 93 N HA -0.231 4.510 4.740 0.003 0.000 0.190 93 N C 1.906 177.354 175.510 -0.103 0.000 1.024 93 N CA 1.576 54.550 53.050 -0.127 0.000 0.853 93 N CB -0.278 38.174 38.487 -0.058 0.000 1.008 93 N HN 0.512 8.892 8.380 -0.000 0.000 0.424 94 c N 0.768 119.322 118.600 -0.076 0.000 2.457 94 c HA 0.121 4.693 4.570 0.003 0.000 0.278 94 c C 2.883 176.901 174.090 -0.120 0.000 1.309 94 c CA 0.767 57.066 56.329 -0.051 0.000 1.735 94 c CB -1.144 41.364 42.510 -0.003 0.000 1.992 94 c HN 0.472 8.702 8.230 -0.000 0.000 0.493 95 A N 0.278 123.047 122.820 -0.086 0.000 1.940 95 A HA -0.213 4.108 4.320 0.003 0.000 0.219 95 A C 2.199 179.770 177.584 -0.021 0.000 1.176 95 A CA 1.904 53.970 52.037 0.047 0.000 0.631 95 A CB -0.569 18.448 19.000 0.028 0.000 0.814 95 A HN 0.760 8.910 8.150 -0.000 0.000 0.446 96 K N -0.625 119.629 120.400 -0.242 0.000 2.097 96 K HA -0.138 4.183 4.320 0.003 0.000 0.205 96 K C 2.169 178.777 176.600 0.014 0.000 1.050 96 K CA 1.596 57.682 56.287 -0.335 0.000 0.938 96 K CB -0.101 32.036 32.500 -0.606 0.000 0.718 96 K HN 0.501 8.751 8.250 -0.000 0.000 0.442 97 K N 1.317 121.702 120.400 -0.024 0.000 2.097 97 K HA -0.057 4.264 4.320 0.003 0.000 0.205 97 K C 1.854 178.442 176.600 -0.020 0.000 1.050 97 K CA 0.920 57.237 56.287 0.050 0.000 0.938 97 K CB 0.026 32.591 32.500 0.108 0.000 0.718 97 K HN 0.020 8.270 8.250 -0.000 0.000 0.442 98 I N 0.678 121.060 120.570 -0.313 0.000 2.226 98 I HA -0.161 4.011 4.170 0.003 0.000 0.245 98 I C 0.372 176.403 176.117 -0.144 0.000 1.100 98 I CA 0.613 61.569 61.300 -0.574 0.000 1.374 98 I CB 0.128 37.561 38.000 -0.945 0.000 1.057 98 I HN -0.112 8.098 8.210 -0.000 0.000 0.413 99 V N 2.174 122.126 119.914 0.064 0.000 2.267 99 V HA 0.082 4.203 4.120 0.003 0.000 0.254 99 V C 0.511 176.757 176.094 0.254 0.000 1.144 99 V CA 0.217 62.638 62.300 0.202 0.000 0.992 99 V CB -0.006 32.069 31.823 0.421 0.000 1.199 99 V HN 0.408 8.598 8.190 -0.000 0.000 0.493 100 S N 1.033 116.824 115.700 0.152 0.000 2.835 100 S HA 0.439 4.911 4.470 0.003 0.000 0.248 100 S C -0.298 174.356 174.600 0.090 0.000 1.070 100 S CA -0.540 57.741 58.200 0.134 0.000 1.090 100 S CB 0.127 63.402 63.200 0.126 0.000 0.978 100 S HN 0.781 9.091 8.310 -0.000 0.000 0.510 101 D N -0.643 119.812 120.400 0.092 0.000 3.158 101 D HA 0.503 5.144 4.640 0.003 0.000 0.314 101 D C 1.097 177.473 176.300 0.126 0.000 1.308 101 D CA -0.389 53.655 54.000 0.075 0.000 1.001 101 D CB -0.308 40.520 40.800 0.045 0.000 1.389 101 D HN -0.015 8.355 8.370 -0.000 0.000 0.595 102 G N -1.293 107.544 108.800 0.062 0.000 2.848 102 G HA2 -0.044 3.918 3.960 0.003 0.000 0.208 102 G HA3 -0.044 3.918 3.960 0.003 0.000 0.208 102 G C 0.340 175.293 174.900 0.089 0.000 1.152 102 G CA 0.038 45.144 45.100 0.011 0.000 0.789 102 G HN 0.322 8.612 8.290 -0.000 0.000 0.531 103 N N 0.315 119.109 118.700 0.157 0.000 2.203 103 N HA 0.055 4.796 4.740 0.003 0.000 0.207 103 N C 2.068 177.667 175.510 0.148 0.000 1.130 103 N CA 0.469 53.633 53.050 0.190 0.000 0.861 103 N CB 0.675 39.230 38.487 0.114 0.000 1.005 103 N HN 0.230 8.610 8.380 -0.000 0.000 0.507 104 G N 0.549 109.439 108.800 0.149 0.000 2.470 104 G HA2 -0.171 3.790 3.960 0.003 0.000 0.220 104 G HA3 -0.171 3.790 3.960 0.003 0.000 0.220 104 G C 1.348 176.130 174.900 -0.197 0.000 1.121 104 G CA 0.276 45.380 45.100 0.008 0.000 0.766 104 G HN 0.248 8.538 8.290 -0.000 0.000 0.553 105 M N 0.797 120.037 119.600 -0.599 0.000 2.619 105 M HA 0.056 4.538 4.480 0.003 0.000 0.251 105 M C 1.697 177.740 176.300 -0.429 0.000 1.106 105 M CA 0.188 54.934 55.300 -0.923 0.000 1.086 105 M CB -0.188 30.907 32.600 -2.508 0.000 1.465 105 M HN 0.129 8.419 8.290 -0.000 0.000 0.506 106 N N 1.234 119.872 118.700 -0.104 0.000 2.430 106 N HA -0.104 4.638 4.740 0.003 0.000 0.186 106 N C 1.670 177.234 175.510 0.090 0.000 1.032 106 N CA 1.171 54.344 53.050 0.205 0.000 0.893 106 N CB -0.032 38.570 38.487 0.191 0.000 0.957 106 N HN 0.365 8.745 8.380 -0.000 0.000 0.442 107 A N 0.503 123.265 122.820 -0.096 0.000 1.986 107 A HA -0.141 4.180 4.320 0.003 0.000 0.220 107 A C 0.737 178.146 177.584 -0.293 0.000 1.171 107 A CA 0.791 52.648 52.037 -0.301 0.000 0.640 107 A CB -0.285 18.303 19.000 -0.686 0.000 0.811 107 A HN 0.320 8.470 8.150 -0.000 0.000 0.451 108 W N 0.031 121.318 121.300 -0.021 0.000 2.283 108 W HA 0.393 5.056 4.660 0.004 0.000 0.317 108 W C 0.723 177.309 176.519 0.111 0.000 1.042 108 W CA -0.929 56.436 57.345 0.033 0.000 1.348 108 W CB 1.083 30.544 29.460 0.002 0.000 1.216 108 W HN -0.017 8.163 8.180 -0.000 0.000 0.404 109 V N 3.962 124.013 119.914 0.228 0.000 2.282 109 V HA -0.366 3.756 4.120 0.003 0.000 0.249 109 V C 2.338 178.521 176.094 0.148 0.000 1.057 109 V CA 2.840 65.231 62.300 0.153 0.000 1.032 109 V CB -1.020 30.855 31.823 0.087 0.000 0.645 109 V HN 0.714 8.905 8.190 -0.000 0.000 0.447 110 A N -1.123 121.803 122.820 0.177 0.000 1.908 110 A HA -0.312 4.009 4.320 0.003 0.000 0.218 110 A C 1.957 179.598 177.584 0.095 0.000 1.181 110 A CA 2.179 54.284 52.037 0.112 0.000 0.627 110 A CB -0.991 18.101 19.000 0.153 0.000 0.818 110 A HN 0.763 8.913 8.150 -0.000 0.000 0.445 111 W N 0.748 122.058 121.300 0.016 0.000 2.335 111 W HA -0.194 4.466 4.660 0.001 0.000 0.311 111 W C 2.390 178.885 176.519 -0.040 0.000 1.213 111 W CA 2.063 59.374 57.345 -0.057 0.000 1.274 111 W CB -0.160 29.231 29.460 -0.115 0.000 1.148 111 W HN 0.251 8.431 8.180 -0.000 0.000 0.498 112 R N -0.230 120.298 120.500 0.046 0.000 2.091 112 R HA -0.181 4.161 4.340 0.003 0.000 0.238 112 R C 1.789 177.934 176.300 -0.259 0.000 1.136 112 R CA 1.661 57.661 56.100 -0.167 0.000 0.959 112 R CB -0.722 29.607 30.300 0.049 0.000 0.856 112 R HN 0.244 8.514 8.270 -0.000 0.000 0.437 113 N N -0.234 118.361 118.700 -0.175 0.000 2.368 113 N HA -0.019 4.723 4.740 0.003 0.000 0.176 113 N C 1.356 176.712 175.510 -0.256 0.000 1.021 113 N CA 0.831 53.772 53.050 -0.182 0.000 0.888 113 N CB 0.251 38.657 38.487 -0.135 0.000 0.995 113 N HN 0.098 8.478 8.380 -0.000 0.000 0.437 114 R N -1.106 119.204 120.500 -0.317 0.000 2.373 114 R HA 0.345 4.687 4.340 0.003 0.000 0.221 114 R C 0.989 177.141 176.300 -0.248 0.000 0.893 114 R CA 0.107 55.980 56.100 -0.379 0.000 1.049 114 R CB -0.088 29.751 30.300 -0.769 0.000 1.119 114 R HN 0.224 8.494 8.270 -0.000 0.000 0.535 115 c N -0.185 118.183 118.600 -0.387 0.000 2.904 115 c HA 0.262 4.834 4.570 0.003 0.000 0.524 115 c C 1.030 174.753 174.090 -0.612 0.000 1.313 115 c CA -0.617 55.466 56.329 -0.410 0.000 2.614 115 c CB 0.490 42.721 42.510 -0.464 0.000 3.335 115 c HN 0.225 8.455 8.230 -0.000 0.000 0.519 116 K N 1.476 121.169 120.400 -1.178 0.000 2.491 116 K HA 0.322 4.643 4.320 0.003 0.000 0.279 116 K C 1.120 177.478 176.600 -0.404 0.000 1.026 116 K CA 1.372 57.046 56.287 -1.022 0.000 1.070 116 K CB -0.176 31.569 32.500 -1.259 0.000 0.887 116 K HN 0.730 8.980 8.250 -0.000 0.000 0.481 117 G N 2.459 111.146 108.800 -0.189 0.000 2.159 117 G HA2 -0.281 3.681 3.960 0.003 0.000 0.256 117 G HA3 -0.281 3.681 3.960 0.003 0.000 0.256 117 G C 0.097 174.962 174.900 -0.058 0.000 0.977 117 G CA 0.642 45.688 45.100 -0.089 0.000 0.652 117 G HN 0.861 9.151 8.290 -0.000 0.000 0.531 118 T N -2.237 112.285 114.554 -0.053 0.000 2.952 118 T HA 0.579 4.930 4.350 0.003 0.000 0.286 118 T C -0.487 174.249 174.700 0.060 0.000 1.024 118 T CA -0.326 61.777 62.100 0.005 0.000 1.029 118 T CB 2.022 70.906 68.868 0.027 0.000 1.094 118 T HN -0.085 8.155 8.240 -0.000 0.000 0.515 119 D N 2.278 122.721 120.400 0.072 0.000 2.498 119 D HA 0.164 4.805 4.640 0.003 0.000 0.229 119 D C 1.714 178.106 176.300 0.154 0.000 1.188 119 D CA -0.209 53.846 54.000 0.090 0.000 1.028 119 D CB 0.500 41.333 40.800 0.055 0.000 1.087 119 D HN 0.550 8.920 8.370 -0.000 0.000 0.510 120 V N 0.383 120.422 119.914 0.209 0.000 3.241 120 V HA -0.211 3.911 4.120 0.003 0.000 0.269 120 V C 1.925 178.217 176.094 0.330 0.000 1.151 120 V CA 0.988 63.505 62.300 0.361 0.000 1.158 120 V CB -0.584 31.424 31.823 0.309 0.000 0.764 120 V HN 0.323 8.513 8.190 -0.000 0.000 0.508 121 Q N 0.746 120.661 119.800 0.192 0.000 2.234 121 Q HA -0.138 4.204 4.340 0.003 0.000 0.206 121 Q C 2.246 178.305 176.000 0.097 0.000 0.980 121 Q CA 1.676 57.564 55.803 0.142 0.000 0.869 121 Q CB -0.358 28.434 28.738 0.090 0.000 0.912 121 Q HN 0.790 9.060 8.270 -0.000 0.000 0.436 122 A N -0.349 122.492 122.820 0.035 0.000 2.024 122 A HA -0.190 4.132 4.320 0.003 0.000 0.220 122 A C 1.326 178.784 177.584 -0.210 0.000 1.164 122 A CA 1.127 53.093 52.037 -0.118 0.000 0.643 122 A CB -0.986 17.879 19.000 -0.226 0.000 0.806 122 A HN 0.649 8.799 8.150 -0.000 0.000 0.451 123 W N 0.141 121.486 121.300 0.075 0.000 2.465 123 W HA 0.007 4.671 4.660 0.006 0.000 0.268 123 W C 1.735 178.291 176.519 0.063 0.000 1.242 123 W CA 1.056 58.451 57.345 0.084 0.000 1.248 123 W CB -0.150 29.375 29.460 0.108 0.000 1.118 123 W HN 0.523 8.703 8.180 -0.000 0.000 0.587 124 I N -2.041 118.648 120.570 0.198 0.000 4.025 124 I HA 0.322 4.493 4.170 0.003 0.000 0.336 124 I C 1.016 177.169 176.117 0.061 0.000 1.390 124 I CA -0.553 60.823 61.300 0.127 0.000 1.099 124 I CB -0.327 37.749 38.000 0.127 0.000 1.049 124 I HN -0.303 7.907 8.210 -0.000 0.000 0.394 125 R N 2.058 122.573 120.500 0.025 0.000 2.537 125 R HA 0.296 4.638 4.340 0.003 0.000 0.280 125 R C 1.257 177.556 176.300 -0.003 0.000 1.058 125 R CA 1.361 57.460 56.100 -0.001 0.000 1.057 125 R CB 0.420 30.699 30.300 -0.035 0.000 0.973 125 R HN 0.560 8.830 8.270 -0.000 0.000 0.438 126 G N 2.355 111.156 108.800 0.001 0.000 2.184 126 G HA2 -0.330 3.632 3.960 0.003 0.000 0.264 126 G HA3 -0.330 3.632 3.960 0.003 0.000 0.264 126 G C 0.688 175.593 174.900 0.008 0.000 0.975 126 G CA 0.330 45.431 45.100 0.002 0.000 0.642 126 G HN 0.687 8.977 8.290 -0.000 0.000 0.536 127 c N -0.016 118.594 118.600 0.016 0.000 2.634 127 c HA 0.415 4.986 4.570 0.003 0.000 0.268 127 c C 1.690 175.791 174.090 0.017 0.000 1.322 127 c CA 0.522 56.862 56.329 0.019 0.000 1.737 127 c CB -0.666 41.861 42.510 0.028 0.000 1.976 127 c HN 0.698 8.928 8.230 -0.000 0.000 0.547 128 R N -0.529 119.981 120.500 0.018 0.000 3.418 128 R HA -0.146 4.195 4.340 0.003 0.000 0.274 128 R C -0.696 175.616 176.300 0.019 0.000 1.108 128 R CA 0.269 56.379 56.100 0.016 0.000 0.741 128 R CB -2.311 27.996 30.300 0.012 0.000 1.223 128 R HN 0.506 8.776 8.270 -0.000 0.000 0.434 129 L N 0.000 121.239 121.223 0.027 0.000 2.949 129 L HA 0.000 4.342 4.340 0.003 0.000 0.249 129 L CA 0.000 54.858 54.840 0.030 0.000 0.813 129 L CB 0.000 42.081 42.059 0.037 0.000 0.961 129 L HN 0.000 8.230 8.230 -0.000 0.000 0.502