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 2rtg_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.267 4.320 -0.089 0.000 0.244 13 A C 0.000 177.398 177.584 -0.310 0.000 1.274 13 A CA 0.000 51.941 52.037 -0.160 0.000 0.836 13 A CB 0.000 18.813 19.000 -0.311 0.000 0.831 14 E N 0.568 120.683 120.200 -0.142 0.000 2.077 14 E HA -0.396 3.664 4.350 -0.484 0.000 0.193 14 E C 1.322 177.812 176.600 -0.183 0.000 0.989 14 E CA 3.931 60.207 56.400 -0.208 0.000 0.800 14 E CB -1.476 28.244 29.700 0.034 0.000 0.746 14 E HN 0.547 8.923 8.360 0.026 0.000 0.452 15 A N -1.059 121.700 122.820 -0.102 0.000 1.897 15 A HA -0.214 4.051 4.320 -0.092 0.000 0.215 15 A C 2.271 179.796 177.584 -0.097 0.000 1.181 15 A CA 2.529 54.516 52.037 -0.084 0.000 0.620 15 A CB -1.074 17.904 19.000 -0.037 0.000 0.821 15 A HN 0.229 8.347 8.150 -0.054 0.000 0.443 16 G N -1.596 107.148 108.800 -0.093 0.000 2.408 16 G HA2 -0.199 3.794 3.960 0.055 0.000 0.217 16 G HA3 -0.199 3.808 3.960 0.079 0.000 0.217 16 G C 1.573 176.381 174.900 -0.153 0.000 1.150 16 G CA 1.468 46.551 45.100 -0.028 0.000 0.776 16 G HN 0.074 8.259 8.290 -0.084 0.054 0.542 17 I N 0.862 121.169 120.570 -0.439 0.000 2.333 17 I HA -0.227 3.859 4.170 -0.140 0.000 0.246 17 I C -0.105 175.950 176.117 -0.103 0.000 1.106 17 I CA 2.469 63.549 61.300 -0.367 0.000 1.411 17 I CB 0.350 37.930 38.000 -0.701 0.000 1.082 17 I HN 0.850 8.637 8.210 -0.478 0.136 0.420 18 T N 1.706 116.140 114.554 -0.201 0.000 2.905 18 T HA -0.373 4.031 4.350 -0.216 -0.183 0.299 18 T C -0.201 174.407 174.700 -0.153 0.000 1.024 18 T CA 3.412 65.406 62.100 -0.177 0.000 1.151 18 T CB 0.005 68.774 68.868 -0.165 0.000 0.987 18 T HN -0.684 7.405 8.240 -0.253 0.000 0.535 19 G N 5.095 113.775 108.800 -0.199 0.000 2.350 19 G HA2 -0.074 3.732 3.960 -0.258 0.000 0.282 19 G HA3 -0.074 3.640 3.960 -0.410 0.000 0.282 19 G C -3.021 171.658 174.900 -0.369 0.000 1.314 19 G CA 0.294 45.209 45.100 -0.308 0.000 0.915 19 G HN 0.138 8.297 8.290 -0.218 0.000 0.499 20 T N 2.296 116.569 114.554 -0.468 0.000 2.794 20 T HA 0.786 5.055 4.350 -0.401 -0.160 0.280 20 T C -1.121 173.206 174.700 -0.620 0.000 0.987 20 T CA 0.563 62.394 62.100 -0.448 0.000 0.993 20 T CB 1.863 70.544 68.868 -0.311 0.000 0.939 20 T HN 0.275 8.230 8.240 -0.476 0.000 0.449 21 W N 4.672 125.641 121.300 -0.552 0.000 2.950 21 W HA 0.552 5.314 4.660 -0.112 -0.169 0.340 21 W C -1.811 174.504 176.519 -0.340 0.000 1.139 21 W CA -1.249 55.932 57.345 -0.273 0.000 1.188 21 W CB 3.848 33.219 29.460 -0.148 0.000 1.426 21 W HN 0.925 8.888 8.180 -0.361 0.000 0.531 22 Y N -2.122 118.458 120.300 0.468 0.000 2.576 22 Y HA 0.925 5.884 4.550 0.323 -0.216 0.346 22 Y C -0.996 175.099 175.900 0.326 0.000 1.018 22 Y CA -1.886 56.413 58.100 0.331 0.000 1.050 22 Y CB 4.170 42.723 38.460 0.156 0.000 1.280 22 Y HN 0.741 9.343 8.280 0.536 0.000 0.474 23 N N -0.403 118.456 118.700 0.265 0.000 2.545 23 N HA 0.693 5.565 4.740 -0.080 -0.179 0.289 23 N C 1.857 177.389 175.510 0.037 0.000 1.279 23 N CA -2.780 50.212 53.050 -0.097 0.000 0.824 23 N CB 2.196 40.302 38.487 -0.635 0.000 1.395 23 N HN -0.138 8.433 8.380 0.317 0.000 0.526 24 Q N -0.625 119.177 119.800 0.004 0.000 2.368 24 Q HA -0.201 4.174 4.340 0.060 0.000 0.210 24 Q C 0.246 176.280 176.000 0.055 0.000 0.982 24 Q CA 2.454 58.285 55.803 0.047 0.000 0.884 24 Q CB -0.824 27.946 28.738 0.053 0.000 0.933 24 Q HN 0.264 8.500 8.270 -0.056 0.000 0.460 25 L N -2.750 118.511 121.223 0.063 0.000 2.477 25 L HA 0.135 4.510 4.340 0.059 0.000 0.220 25 L C 0.771 177.691 176.870 0.082 0.000 1.106 25 L CA 0.032 54.916 54.840 0.073 0.000 0.851 25 L CB 0.649 42.761 42.059 0.089 0.000 0.994 25 L HN -0.197 8.285 8.230 0.052 -0.221 0.462 26 G N -2.248 106.616 108.800 0.107 0.000 2.134 26 G HA2 -0.329 3.697 3.960 0.109 0.000 0.209 26 G HA3 -0.329 3.675 3.960 0.073 0.000 0.209 26 G C -0.566 174.448 174.900 0.191 0.000 0.993 26 G CA -0.280 44.890 45.100 0.117 0.000 0.669 26 G HN -0.184 8.124 8.290 0.113 0.050 0.519 27 S N 1.131 116.959 115.700 0.213 0.000 2.601 27 S HA 0.263 4.894 4.470 0.172 -0.058 0.271 27 S C -0.911 173.800 174.600 0.185 0.000 1.305 27 S CA 1.393 59.707 58.200 0.189 0.000 1.022 27 S CB 1.643 64.996 63.200 0.254 0.000 0.940 27 S HN -0.567 8.107 8.310 0.193 -0.249 0.525 28 T N 4.466 119.007 114.554 -0.022 0.000 2.823 28 T HA 0.663 4.980 4.350 -0.321 -0.160 0.279 28 T C -1.529 172.927 174.700 -0.407 0.000 0.998 28 T CA -0.257 61.727 62.100 -0.194 0.000 0.994 28 T CB 1.778 70.611 68.868 -0.059 0.000 0.960 28 T HN 0.730 8.830 8.240 -0.063 0.103 0.448 29 F N 8.107 127.735 119.950 -0.536 0.000 2.539 29 F HA 0.644 4.953 4.527 -0.586 -0.133 0.328 29 F C -3.149 172.441 175.800 -0.350 0.000 1.148 29 F CA -2.820 54.854 58.000 -0.543 0.000 0.940 29 F CB 3.029 41.636 39.000 -0.654 0.000 1.194 29 F HN 0.625 8.729 8.300 -0.327 0.000 0.438 30 I N 8.497 128.902 120.570 -0.275 0.000 2.362 30 I HA 0.592 4.698 4.170 -0.380 -0.164 0.289 30 I C -2.438 173.460 176.117 -0.365 0.000 0.994 30 I CA -0.979 60.126 61.300 -0.324 0.000 1.158 30 I CB 2.373 40.263 38.000 -0.185 0.000 1.315 30 I HN 0.749 8.894 8.210 -0.107 0.000 0.451 31 V N 7.792 127.425 119.914 -0.468 0.000 3.114 31 V HA 0.873 4.991 4.120 -0.269 -0.159 0.308 31 V C -2.333 173.593 176.094 -0.281 0.000 1.168 31 V CA -3.109 58.953 62.300 -0.397 0.000 1.015 31 V CB 4.979 36.406 31.823 -0.660 0.000 1.050 31 V HN 0.807 8.725 8.190 -0.454 0.000 0.433 32 T N 7.336 121.764 114.554 -0.210 0.000 2.848 32 T HA 0.310 4.554 4.350 -0.178 0.000 0.285 32 T C -2.213 172.392 174.700 -0.159 0.000 0.995 32 T CA -0.664 61.338 62.100 -0.163 0.000 0.970 32 T CB 2.339 71.145 68.868 -0.104 0.000 0.976 32 T HN 0.491 8.621 8.240 -0.184 0.000 0.441 33 A N 6.690 129.395 122.820 -0.192 0.000 2.276 33 A HA 0.871 5.293 4.320 -0.141 -0.187 0.316 33 A C -0.842 176.736 177.584 -0.009 0.000 1.229 33 A CA -2.137 49.774 52.037 -0.211 0.000 0.851 33 A CB 1.755 20.405 19.000 -0.583 0.000 1.165 33 A HN 0.433 8.465 8.150 -0.196 0.000 0.513 34 G N 0.857 109.740 108.800 0.139 0.000 2.437 34 G HA2 0.298 4.294 3.960 0.059 0.000 0.319 34 G HA3 0.298 4.395 3.960 0.085 -0.086 0.319 34 G C -0.019 174.984 174.900 0.173 0.000 1.158 34 G CA -1.491 43.676 45.100 0.113 0.000 0.899 34 G HN 0.648 8.951 8.290 0.218 0.117 0.502 35 A N 1.389 124.265 122.820 0.094 0.000 2.032 35 A HA -0.276 4.102 4.320 0.097 0.000 0.221 35 A C 1.130 178.724 177.584 0.017 0.000 1.165 35 A CA 2.524 54.601 52.037 0.067 0.000 0.645 35 A CB -0.275 18.744 19.000 0.032 0.000 0.807 35 A HN 0.603 8.790 8.150 0.061 0.000 0.453 36 D N -6.381 114.025 120.400 0.010 0.000 2.349 36 D HA -0.183 4.429 4.640 -0.047 0.000 0.224 36 D C 0.303 176.536 176.300 -0.112 0.000 1.029 36 D CA -0.448 53.530 54.000 -0.037 0.000 0.879 36 D CB -1.010 39.782 40.800 -0.013 0.000 0.906 36 D HN -0.167 8.180 8.370 0.035 0.043 0.528 37 G N -2.405 106.277 108.800 -0.197 0.000 2.141 37 G HA2 -0.466 2.523 3.960 -1.617 0.000 0.231 37 G HA3 -0.466 3.213 3.960 -0.467 0.000 0.231 37 G C -1.444 173.411 174.900 -0.075 0.000 0.984 37 G CA 0.063 44.822 45.100 -0.569 0.000 0.660 37 G HN 0.125 8.210 8.290 -0.063 0.166 0.525 38 A N -0.139 122.766 122.820 0.143 0.000 2.293 38 A HA 0.565 5.079 4.320 0.133 -0.114 0.302 38 A C -1.799 175.919 177.584 0.223 0.000 1.119 38 A CA -1.419 50.716 52.037 0.163 0.000 0.823 38 A CB 2.535 21.585 19.000 0.084 0.000 1.097 38 A HN -0.627 7.738 8.150 0.130 -0.137 0.491 39 L N 0.116 121.426 121.223 0.144 0.000 2.410 39 L HA 1.002 5.570 4.340 -0.002 -0.229 0.270 39 L C -0.557 176.328 176.870 0.024 0.000 0.983 39 L CA -1.324 53.548 54.840 0.054 0.000 0.822 39 L CB 3.602 45.694 42.059 0.054 0.000 1.285 39 L HN 0.115 8.423 8.230 0.130 0.000 0.409 40 T N 1.917 116.457 114.554 -0.024 0.000 2.903 40 T HA 0.793 5.301 4.350 0.001 -0.157 0.299 40 T C -1.412 173.253 174.700 -0.058 0.000 1.093 40 T CA -2.185 59.903 62.100 -0.020 0.000 1.002 40 T CB 2.553 71.416 68.868 -0.008 0.000 1.127 40 T HN 0.447 8.652 8.240 -0.059 0.000 0.488 41 G N 3.509 112.285 108.800 -0.041 0.000 2.356 41 G HA2 0.409 4.330 3.960 -0.066 0.000 0.281 41 G HA3 0.409 4.495 3.960 -0.088 -0.179 0.281 41 G C -2.961 171.935 174.900 -0.007 0.000 1.246 41 G CA 0.956 46.023 45.100 -0.054 0.000 0.889 41 G HN -0.178 8.102 8.290 -0.016 0.000 0.486 42 T N -2.486 112.072 114.554 0.007 0.000 2.906 42 T HA 1.033 5.639 4.350 0.093 -0.200 0.295 42 T C -2.422 172.354 174.700 0.127 0.000 1.061 42 T CA -2.313 59.828 62.100 0.070 0.000 1.000 42 T CB 3.692 72.587 68.868 0.045 0.000 1.103 42 T HN 0.095 8.317 8.240 -0.029 0.000 0.486 43 Y N 1.766 122.116 120.300 0.084 0.000 2.477 43 Y HA 0.724 5.515 4.550 0.105 -0.178 0.347 43 Y C -2.681 173.382 175.900 0.273 0.000 0.981 43 Y CA -1.925 56.249 58.100 0.122 0.000 1.033 43 Y CB 4.741 43.208 38.460 0.011 0.000 1.245 43 Y HN 0.687 9.145 8.280 0.296 0.000 0.455 44 E N 7.153 127.429 120.200 0.127 0.000 2.216 44 E HA 0.483 5.139 4.350 0.510 0.000 0.260 44 E C -2.287 174.488 176.600 0.290 0.000 0.880 44 E CA -1.507 55.071 56.400 0.298 0.000 0.765 44 E CB 3.973 33.766 29.700 0.155 0.000 1.174 44 E HN 0.772 8.912 8.360 -0.367 0.000 0.417 45 S N 7.680 123.670 115.700 0.484 0.000 2.508 45 S HA 0.169 4.909 4.470 0.450 0.000 0.284 45 S C -0.087 174.627 174.600 0.190 0.000 1.192 45 S CA -1.278 57.153 58.200 0.384 0.000 1.070 45 S CB 1.396 64.733 63.200 0.229 0.000 1.004 45 S HN 0.736 9.382 8.310 0.561 0.000 0.493 46 A N 7.001 129.912 122.820 0.151 0.000 2.169 46 A HA 0.060 4.435 4.320 0.092 0.000 0.212 46 A C -0.238 177.370 177.584 0.039 0.000 1.153 46 A CA 1.046 53.138 52.037 0.092 0.000 0.756 46 A CB 0.544 19.599 19.000 0.092 0.000 0.813 46 A HN 0.702 8.965 8.150 0.189 0.000 0.471 47 V N -6.119 113.797 119.914 0.003 0.000 3.141 47 V HA 0.579 4.676 4.120 -0.037 0.000 0.312 47 V C -0.389 175.614 176.094 -0.152 0.000 1.157 47 V CA -1.749 60.518 62.300 -0.056 0.000 1.041 47 V CB 2.057 33.852 31.823 -0.048 0.000 1.071 47 V HN -0.297 7.857 8.190 0.019 0.047 0.441 48 G N 0.724 109.429 108.800 -0.158 0.000 2.728 48 G HA2 -0.312 3.526 3.960 -0.205 0.000 0.294 48 G HA3 -0.312 3.420 3.960 -0.381 0.000 0.294 48 G C -1.304 173.477 174.900 -0.199 0.000 1.342 48 G CA -0.430 44.525 45.100 -0.242 0.000 0.866 48 G HN 0.352 8.577 8.290 -0.108 0.000 0.534 49 N N 2.315 120.873 118.700 -0.237 0.000 2.968 49 N HA 0.023 4.719 4.740 -0.075 0.000 0.271 49 N C -1.831 173.598 175.510 -0.134 0.000 1.174 49 N CA -0.818 52.150 53.050 -0.137 0.000 1.096 49 N CB -1.448 36.968 38.487 -0.118 0.000 1.403 49 N HN 0.125 8.320 8.380 -0.309 0.000 0.522 50 A N 0.961 123.743 122.820 -0.064 0.000 2.574 50 A HA 0.409 4.902 4.320 0.288 0.000 0.297 50 A C -2.291 175.439 177.584 0.243 0.000 1.062 50 A CA -0.651 51.453 52.037 0.112 0.000 0.686 50 A CB 2.858 21.767 19.000 -0.152 0.000 1.285 50 A HN -0.494 7.580 8.150 -0.055 0.042 0.403 51 E N 2.909 123.372 120.200 0.437 0.000 2.354 51 E HA 0.234 4.700 4.350 0.193 0.000 0.283 51 E C -1.390 175.334 176.600 0.207 0.000 0.938 51 E CA -0.413 56.132 56.400 0.241 0.000 0.777 51 E CB 3.002 32.774 29.700 0.121 0.000 1.222 51 E HN 0.296 9.111 8.360 0.757 0.000 0.423 52 S N 1.060 116.831 115.700 0.118 0.000 3.683 52 S HA -0.424 4.053 4.470 0.013 0.000 0.636 52 S C -1.218 173.457 174.600 0.125 0.000 2.235 52 S CA 1.428 59.645 58.200 0.028 0.000 2.445 52 S CB 0.435 63.562 63.200 -0.121 0.000 0.330 52 S HN 0.358 8.736 8.310 0.113 0.000 1.763 53 R N -0.609 119.910 120.500 0.031 0.000 2.532 53 R HA 0.327 5.019 4.340 0.303 -0.171 0.272 53 R C -0.688 175.547 176.300 -0.108 0.000 1.032 53 R CA -0.254 55.908 56.100 0.103 0.000 1.089 53 R CB 1.238 31.581 30.300 0.072 0.000 1.098 53 R HN -0.158 8.109 8.270 -0.005 0.000 0.526 54 Y N -2.066 118.323 120.300 0.148 0.000 2.512 54 Y HA 0.194 4.789 4.550 0.075 0.000 0.348 54 Y C -0.631 175.284 175.900 0.025 0.000 0.990 54 Y CA -1.147 56.996 58.100 0.071 0.000 1.033 54 Y CB 3.054 41.511 38.460 -0.004 0.000 1.259 54 Y HN 0.119 8.653 8.280 0.423 0.000 0.461 55 V N 1.945 121.931 119.914 0.120 0.000 2.686 55 V HA 0.064 4.358 4.120 0.058 -0.140 0.295 55 V C -0.449 175.671 176.094 0.044 0.000 1.055 55 V CA 1.328 63.664 62.300 0.062 0.000 1.050 55 V CB 0.270 32.113 31.823 0.032 0.000 0.984 55 V HN 0.734 8.991 8.190 0.111 0.000 0.482 56 L N 0.787 122.034 121.223 0.040 0.000 2.388 56 L HA 1.063 5.606 4.340 0.051 -0.173 0.264 56 L C -1.494 175.406 176.870 0.049 0.000 0.998 56 L CA -1.596 53.274 54.840 0.050 0.000 0.817 56 L CB 4.309 46.388 42.059 0.033 0.000 1.338 56 L HN 0.479 8.729 8.230 0.033 0.000 0.414 57 T N 0.908 115.514 114.554 0.088 0.000 2.916 57 T HA 0.767 5.337 4.350 0.063 -0.183 0.305 57 T C -1.418 173.373 174.700 0.151 0.000 1.119 57 T CA -1.629 60.521 62.100 0.084 0.000 1.008 57 T CB 2.373 71.274 68.868 0.056 0.000 1.129 57 T HN -0.121 8.192 8.240 0.123 0.000 0.480 58 G N 2.416 111.306 108.800 0.150 0.000 2.561 58 G HA2 0.657 4.724 3.960 0.178 0.000 0.310 58 G HA3 0.657 4.923 3.960 0.296 -0.128 0.310 58 G C -2.925 172.078 174.900 0.173 0.000 1.292 58 G CA 0.640 45.861 45.100 0.202 0.000 0.811 58 G HN 0.361 8.719 8.290 0.114 0.000 0.482 59 R N -3.669 116.949 120.500 0.197 0.000 2.799 59 R HA 1.171 5.830 4.340 0.203 -0.197 0.270 59 R C -1.726 174.733 176.300 0.265 0.000 1.010 59 R CA -2.377 53.833 56.100 0.183 0.000 0.916 59 R CB 4.990 35.338 30.300 0.081 0.000 1.228 59 R HN 0.001 8.403 8.270 0.219 0.000 0.469 60 Y N -3.666 116.663 120.300 0.048 0.000 2.689 60 Y HA 0.592 5.307 4.550 0.069 -0.124 0.333 60 Y C -2.045 173.877 175.900 0.037 0.000 1.190 60 Y CA -2.521 55.608 58.100 0.049 0.000 1.063 60 Y CB 2.181 40.656 38.460 0.024 0.000 1.294 60 Y HN 0.379 8.661 8.280 0.003 0.000 0.466 61 D N 0.485 120.899 120.400 0.023 0.000 2.393 61 D HA 0.218 4.763 4.640 -0.158 0.000 0.232 61 D C 0.207 176.426 176.300 -0.135 0.000 1.192 61 D CA -1.331 52.620 54.000 -0.081 0.000 0.882 61 D CB 0.355 41.183 40.800 0.046 0.000 1.038 61 D HN 0.012 8.523 8.370 0.235 0.000 0.499 62 S N 4.497 119.944 115.700 -0.421 0.000 2.382 62 S HA -0.360 4.037 4.470 -0.120 0.000 0.228 62 S C 0.129 174.725 174.600 -0.007 0.000 1.027 62 S CA 2.222 60.265 58.200 -0.261 0.000 0.991 62 S CB 0.174 63.186 63.200 -0.314 0.000 0.823 62 S HN -0.122 7.898 8.310 -0.482 0.000 0.469 63 A N 2.775 125.580 122.820 -0.025 0.000 2.801 63 A HA 0.461 4.805 4.320 0.040 0.000 0.344 63 A C -2.422 175.186 177.584 0.039 0.000 1.322 63 A CA -3.218 48.830 52.037 0.019 0.000 0.913 63 A CB -0.190 18.810 19.000 0.000 0.000 1.140 63 A HN -0.460 7.734 8.150 -0.074 -0.089 0.487 64 P HA 0.062 4.739 4.420 0.080 -0.209 0.302 64 P C -1.118 176.219 177.300 0.062 0.000 1.301 64 P CA -0.289 62.862 63.100 0.085 0.000 0.770 64 P CB 1.242 33.018 31.700 0.127 0.000 1.458 65 A N -3.634 119.224 122.820 0.062 0.000 2.320 65 A HA 0.403 4.748 4.320 0.040 0.000 0.334 65 A C 0.697 178.311 177.584 0.050 0.000 1.147 65 A CA -1.882 50.184 52.037 0.047 0.000 0.820 65 A CB 2.630 21.655 19.000 0.042 0.000 1.218 65 A HN -0.173 8.021 8.150 0.073 0.000 0.482 66 T N 1.132 115.711 114.554 0.041 0.000 3.688 66 T HA -0.012 4.367 4.350 0.047 0.000 0.307 66 T C -1.512 173.210 174.700 0.036 0.000 1.382 66 T CA -0.355 61.769 62.100 0.040 0.000 1.136 66 T CB -1.500 67.389 68.868 0.033 0.000 1.207 66 T HN 0.356 8.639 8.240 0.035 -0.022 0.854 67 D N 1.493 121.916 120.400 0.039 0.000 2.851 67 D HA 0.003 4.660 4.640 0.029 0.000 0.339 67 D C -0.616 175.705 176.300 0.035 0.000 1.347 67 D CA -1.035 52.985 54.000 0.033 0.000 0.888 67 D CB 1.316 42.134 40.800 0.029 0.000 1.431 67 D HN 0.222 8.411 8.370 0.047 0.210 0.509 68 G N -1.801 107.016 108.800 0.028 0.000 3.717 68 G HA2 0.127 4.103 3.960 0.027 0.000 0.258 68 G HA3 0.127 4.099 3.960 0.020 0.000 0.258 68 G C -0.609 174.307 174.900 0.027 0.000 1.088 68 G CA -0.196 44.919 45.100 0.025 0.000 1.737 68 G HN -0.041 8.264 8.290 0.025 0.000 0.648 69 S N 1.227 116.949 115.700 0.037 0.000 2.681 69 S HA 0.189 4.680 4.470 0.036 0.000 0.299 69 S C -0.527 174.106 174.600 0.055 0.000 1.113 69 S CA -0.468 57.758 58.200 0.043 0.000 1.013 69 S CB 2.859 66.088 63.200 0.048 0.000 1.076 69 S HN -0.832 7.482 8.310 0.043 0.022 0.534 70 G N -0.474 108.362 108.800 0.061 0.000 2.528 70 G HA2 0.280 4.360 3.960 0.063 0.000 0.289 70 G HA3 0.280 4.286 3.960 0.076 0.000 0.289 70 G C -1.098 173.882 174.900 0.134 0.000 1.192 70 G CA -0.872 44.278 45.100 0.083 0.000 0.921 70 G HN 0.031 8.354 8.290 0.055 0.000 0.512 71 T N 4.142 118.822 114.554 0.210 0.000 2.743 71 T HA 0.107 4.571 4.350 0.190 0.000 0.292 71 T C -0.677 174.155 174.700 0.220 0.000 0.972 71 T CA 0.621 62.866 62.100 0.241 0.000 0.967 71 T CB 1.069 70.147 68.868 0.350 0.000 0.926 71 T HN 0.306 8.583 8.240 0.245 0.110 0.459 72 A N 8.320 131.242 122.820 0.170 0.000 2.371 72 A HA 0.682 5.283 4.320 0.155 -0.188 0.257 72 A C -1.464 176.233 177.584 0.189 0.000 1.089 72 A CA -0.877 51.253 52.037 0.154 0.000 0.794 72 A CB 1.236 20.301 19.000 0.108 0.000 1.029 72 A HN 0.701 8.938 8.150 0.145 0.000 0.488 73 L N -5.473 115.866 121.223 0.193 0.000 2.892 73 L HA 0.916 5.488 4.340 0.222 -0.098 0.269 73 L C -1.619 175.376 176.870 0.209 0.000 1.058 73 L CA -1.161 53.819 54.840 0.234 0.000 0.923 73 L CB 3.569 45.797 42.059 0.281 0.000 1.518 73 L HN 0.165 8.499 8.230 0.172 0.000 0.402 74 G N -3.991 104.959 108.800 0.249 0.000 2.632 74 G HA2 0.735 4.859 3.960 0.031 0.000 0.292 74 G HA3 0.735 4.738 3.960 0.072 0.000 0.292 74 G C -3.424 171.652 174.900 0.295 0.000 1.465 74 G CA 0.794 45.983 45.100 0.149 0.000 0.824 74 G HN -0.201 8.264 8.290 0.291 0.000 0.509 75 W N -3.429 117.911 121.300 0.067 0.000 3.066 75 W HA 0.685 5.452 4.660 0.026 -0.091 0.330 75 W C -3.108 173.466 176.519 0.092 0.000 1.253 75 W CA -1.618 55.744 57.345 0.028 0.000 1.187 75 W CB 2.140 31.551 29.460 -0.081 0.000 1.434 75 W HN 0.333 8.348 8.180 -0.275 0.000 0.572 76 T N 1.153 115.838 114.554 0.217 0.000 2.893 76 T HA 0.892 5.460 4.350 0.027 -0.202 0.291 76 T C -1.446 173.303 174.700 0.081 0.000 1.028 76 T CA -0.555 61.596 62.100 0.085 0.000 0.995 76 T CB 3.035 71.910 68.868 0.013 0.000 1.051 76 T HN 0.655 9.061 8.240 0.277 0.000 0.470 77 V N 4.071 123.928 119.914 -0.095 0.000 2.623 77 V HA 0.341 4.467 4.120 -0.229 -0.144 0.304 77 V C -2.300 173.433 176.094 -0.602 0.000 1.054 77 V CA -1.143 60.927 62.300 -0.382 0.000 0.882 77 V CB 3.760 35.135 31.823 -0.748 0.000 1.002 77 V HN 0.351 8.459 8.190 -0.136 0.000 0.424 78 A N 5.456 128.032 122.820 -0.406 0.000 2.276 78 A HA 0.546 4.838 4.320 -0.242 -0.117 0.316 78 A C -0.149 177.263 177.584 -0.286 0.000 1.229 78 A CA -1.710 50.178 52.037 -0.250 0.000 0.851 78 A CB 1.612 20.573 19.000 -0.065 0.000 1.165 78 A HN 0.695 8.686 8.150 -0.266 0.000 0.513 79 W N 5.390 126.660 121.300 -0.050 0.000 1.395 79 W HA -0.074 4.392 4.660 -0.324 0.000 0.451 79 W C -1.421 175.182 176.519 0.140 0.000 0.619 79 W CA -1.254 56.013 57.345 -0.129 0.000 2.212 79 W CB -0.797 28.488 29.460 -0.291 0.000 1.537 79 W HN 0.731 8.918 8.180 0.012 0.000 0.275 80 K N 1.472 122.127 120.400 0.425 0.000 2.482 80 K HA 0.770 5.481 4.320 0.293 -0.215 0.251 80 K C -1.730 175.008 176.600 0.231 0.000 0.936 80 K CA -1.234 55.229 56.287 0.294 0.000 0.791 80 K CB 3.168 35.745 32.500 0.128 0.000 1.213 80 K HN -0.221 8.165 8.250 0.365 0.083 0.428 81 N N 4.917 123.669 118.700 0.086 0.000 3.418 81 N HA 0.236 4.930 4.740 -0.077 0.000 0.316 81 N C -0.671 174.755 175.510 -0.140 0.000 1.601 81 N CA -1.280 51.705 53.050 -0.109 0.000 0.805 81 N CB 0.874 39.134 38.487 -0.378 0.000 1.873 81 N HN 0.815 9.270 8.380 0.125 0.000 0.615 82 N N -1.514 117.008 118.700 -0.298 0.000 2.512 82 N HA -0.035 4.521 4.740 -0.307 0.000 0.183 82 N C 0.084 175.198 175.510 -0.659 0.000 1.073 82 N CA 2.401 55.143 53.050 -0.513 0.000 0.911 82 N CB 0.053 38.096 38.487 -0.740 0.000 0.964 82 N HN 0.153 8.362 8.380 -0.284 0.000 0.447 83 Y N -2.709 117.568 120.300 -0.037 0.000 2.558 83 Y HA 0.096 4.645 4.550 -0.002 0.000 0.273 83 Y C -0.288 175.626 175.900 0.023 0.000 1.100 83 Y CA 0.998 59.093 58.100 -0.008 0.000 1.276 83 Y CB 1.771 40.222 38.460 -0.014 0.000 1.196 83 Y HN -0.498 7.881 8.280 -0.183 -0.208 0.527 84 R N -2.530 118.071 120.500 0.167 0.000 2.740 84 R HA 0.233 4.638 4.340 0.109 0.000 0.273 84 R C -2.531 173.849 176.300 0.133 0.000 0.998 84 R CA -1.056 55.139 56.100 0.158 0.000 0.900 84 R CB 4.628 35.072 30.300 0.241 0.000 1.223 84 R HN 0.175 8.879 8.270 0.136 -0.352 0.466 85 N N 1.489 120.206 118.700 0.027 0.000 2.576 85 N HA 0.299 5.158 4.740 -0.002 -0.120 0.269 85 N C -1.369 173.939 175.510 -0.337 0.000 1.058 85 N CA 0.029 53.003 53.050 -0.125 0.000 0.860 85 N CB 0.935 39.296 38.487 -0.209 0.000 1.249 85 N HN 0.416 8.801 8.380 0.009 0.000 0.525 86 A N 1.951 124.671 122.820 -0.168 0.000 2.275 86 A HA 0.096 4.324 4.320 -0.154 0.000 0.212 86 A C 0.307 177.826 177.584 -0.109 0.000 1.201 86 A CA 0.133 52.082 52.037 -0.146 0.000 0.843 86 A CB 0.781 19.747 19.000 -0.057 0.000 0.873 86 A HN 0.818 8.977 8.150 0.016 0.000 0.492 87 H N -2.227 116.899 119.070 0.094 0.000 2.677 87 H HA -0.364 4.235 4.556 0.072 0.000 0.321 87 H C -2.012 173.354 175.328 0.063 0.000 1.171 87 H CA 0.996 57.084 56.048 0.067 0.000 1.139 87 H CB -3.064 26.719 29.762 0.035 0.000 1.515 87 H HN -0.207 8.053 8.280 -0.334 -0.180 0.423 88 S N -4.745 111.056 115.700 0.169 0.000 2.625 88 S HA 0.925 5.582 4.470 0.113 -0.119 0.271 88 S C -2.530 172.213 174.600 0.237 0.000 1.161 88 S CA -0.993 57.307 58.200 0.166 0.000 0.820 88 S CB 4.255 67.521 63.200 0.109 0.000 1.137 88 S HN -0.388 8.027 8.310 0.175 0.000 0.470 89 A N -1.374 121.547 122.820 0.169 0.000 2.549 89 A HA 0.850 5.275 4.320 -0.071 -0.148 0.297 89 A C -2.377 175.209 177.584 0.003 0.000 1.061 89 A CA -0.364 51.692 52.037 0.032 0.000 0.690 89 A CB 3.963 22.939 19.000 -0.040 0.000 1.287 89 A HN 0.723 8.941 8.150 0.114 0.000 0.402 90 T N 3.482 117.960 114.554 -0.127 0.000 2.863 90 T HA 1.050 5.473 4.350 -0.244 -0.219 0.285 90 T C -0.771 173.673 174.700 -0.426 0.000 1.009 90 T CA -1.144 60.761 62.100 -0.326 0.000 0.989 90 T CB 2.674 71.182 68.868 -0.600 0.000 1.004 90 T HN 0.796 8.871 8.240 -0.274 0.000 0.455 91 T N 1.664 115.960 114.554 -0.429 0.000 2.841 91 T HA 0.791 5.197 4.350 -0.224 -0.190 0.283 91 T C -1.437 173.004 174.700 -0.432 0.000 1.000 91 T CA -2.007 59.909 62.100 -0.307 0.000 0.977 91 T CB 2.743 71.515 68.868 -0.160 0.000 0.979 91 T HN 0.708 8.723 8.240 -0.375 0.000 0.446 92 W N 4.354 125.280 121.300 -0.624 0.000 2.587 92 W HA 0.500 5.155 4.660 -0.266 -0.155 0.324 92 W C -1.322 174.872 176.519 -0.541 0.000 1.040 92 W CA -1.343 55.596 57.345 -0.677 0.000 1.222 92 W CB 3.362 31.902 29.460 -1.533 0.000 1.381 92 W HN 0.782 8.742 8.180 -0.366 0.000 0.483 93 S N 2.154 117.807 115.700 -0.078 0.000 2.561 93 S HA 0.720 5.307 4.470 -0.026 -0.133 0.303 93 S C -1.082 173.546 174.600 0.047 0.000 1.110 93 S CA -1.558 56.628 58.200 -0.023 0.000 1.034 93 S CB 1.586 64.776 63.200 -0.017 0.000 1.010 93 S HN 0.741 9.041 8.310 -0.017 0.000 0.482 94 G N 4.235 113.088 108.800 0.089 0.000 2.500 94 G HA2 0.640 4.641 3.960 0.114 0.000 0.299 94 G HA3 0.640 4.861 3.960 0.178 -0.155 0.299 94 G C -3.299 171.693 174.900 0.154 0.000 1.242 94 G CA 0.731 45.913 45.100 0.136 0.000 0.859 94 G HN 0.379 8.725 8.290 0.093 0.000 0.481 95 Q N -3.037 116.865 119.800 0.170 0.000 2.389 95 Q HA 0.845 5.508 4.340 0.194 -0.207 0.277 95 Q C -2.037 174.084 176.000 0.203 0.000 1.082 95 Q CA -1.891 54.017 55.803 0.175 0.000 0.810 95 Q CB 4.944 33.758 28.738 0.127 0.000 1.374 95 Q HN 0.126 8.501 8.270 0.175 0.000 0.422 96 Y N 3.686 124.041 120.300 0.092 0.000 2.330 96 Y HA 0.626 5.382 4.550 0.063 -0.169 0.336 96 Y C -2.328 173.635 175.900 0.105 0.000 1.036 96 Y CA -1.836 56.309 58.100 0.075 0.000 1.125 96 Y CB 2.627 41.112 38.460 0.042 0.000 1.194 96 Y HN 0.733 9.087 8.280 0.310 0.112 0.469 97 V N 7.168 126.758 119.914 -0.541 0.000 2.443 97 V HA 0.267 4.178 4.120 -0.347 0.000 0.293 97 V C -1.457 174.186 176.094 -0.752 0.000 1.021 97 V CA -1.626 60.406 62.300 -0.447 0.000 0.848 97 V CB 2.470 34.206 31.823 -0.144 0.000 0.998 97 V HN 0.480 8.403 8.190 -0.445 0.000 0.424 98 G N 4.962 113.334 108.800 -0.714 0.000 2.543 98 G HA2 0.467 4.221 3.960 -0.342 0.000 0.267 98 G HA3 0.467 4.353 3.960 -0.123 0.000 0.267 98 G C -0.656 174.186 174.900 -0.097 0.000 1.406 98 G CA -1.347 43.542 45.100 -0.353 0.000 1.048 98 G HN 0.394 8.383 8.290 -0.502 0.000 0.548 99 G N -2.540 106.260 108.800 0.001 0.000 2.316 99 G HA2 -0.227 3.744 3.960 0.018 0.000 0.349 99 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.349 99 G C -0.800 174.111 174.900 0.017 0.000 1.274 99 G CA -0.641 44.464 45.100 0.008 0.000 1.018 99 G HN -0.160 8.161 8.290 0.052 0.000 0.486 100 A N -0.551 122.276 122.820 0.012 0.000 1.877 100 A HA -0.123 4.201 4.320 0.005 0.000 0.216 100 A C 0.535 178.123 177.584 0.006 0.000 1.186 100 A CA 1.606 53.648 52.037 0.007 0.000 0.620 100 A CB 0.183 19.187 19.000 0.006 0.000 0.822 100 A HN 0.141 8.297 8.150 0.010 0.000 0.443 101 E N -0.686 119.523 120.200 0.015 0.000 2.173 101 E HA 0.101 4.462 4.350 0.019 0.000 0.249 101 E C -2.042 174.586 176.600 0.047 0.000 0.923 101 E CA -1.123 55.294 56.400 0.028 0.000 0.754 101 E CB 0.062 29.782 29.700 0.034 0.000 1.177 101 E HN -0.011 8.358 8.360 0.014 -0.000 0.430 102 A N 5.190 128.049 122.820 0.065 0.000 2.327 102 A HA 0.268 4.736 4.320 0.019 -0.137 0.283 102 A C -1.006 176.764 177.584 0.310 0.000 1.127 102 A CA -0.527 51.586 52.037 0.125 0.000 0.810 102 A CB 2.047 21.175 19.000 0.213 0.000 1.066 102 A HN 0.234 8.404 8.150 0.034 0.000 0.492 103 R N -1.636 119.041 120.500 0.295 0.000 2.808 103 R HA 0.898 5.797 4.340 0.647 -0.171 0.272 103 R C -1.827 174.645 176.300 0.286 0.000 0.995 103 R CA -2.606 53.736 56.100 0.402 0.000 0.917 103 R CB 4.839 35.279 30.300 0.233 0.000 1.217 103 R HN 0.625 8.945 8.270 0.084 0.000 0.471 104 I N 0.510 121.257 120.570 0.296 0.000 2.468 104 I HA 0.527 5.030 4.170 0.186 -0.221 0.285 104 I C -1.788 174.543 176.117 0.356 0.000 1.039 104 I CA -1.120 60.308 61.300 0.214 0.000 1.074 104 I CB 3.074 41.063 38.000 -0.017 0.000 1.228 104 I HN 0.088 8.554 8.210 0.426 0.000 0.436 105 N N 9.255 128.119 118.700 0.274 0.000 2.424 105 N HA 0.579 5.491 4.740 0.287 0.000 0.271 105 N C -0.756 174.915 175.510 0.268 0.000 0.985 105 N CA -0.913 52.289 53.050 0.254 0.000 0.921 105 N CB 2.237 40.820 38.487 0.160 0.000 1.149 105 N HN 0.470 8.982 8.380 0.219 0.000 0.492 106 T N -0.139 114.613 114.554 0.329 0.000 2.865 106 T HA 0.706 5.315 4.350 0.216 -0.130 0.294 106 T C -1.298 173.562 174.700 0.266 0.000 1.119 106 T CA -1.915 60.373 62.100 0.312 0.000 1.007 106 T CB 3.265 72.417 68.868 0.473 0.000 1.225 106 T HN 0.720 9.175 8.240 0.359 0.000 0.515 107 Q N -0.205 119.689 119.800 0.156 0.000 2.394 107 Q HA 0.767 5.228 4.340 -0.058 -0.156 0.273 107 Q C -1.654 174.332 176.000 -0.023 0.000 1.089 107 Q CA -1.035 54.763 55.803 -0.009 0.000 0.812 107 Q CB 4.902 33.609 28.738 -0.052 0.000 1.353 107 Q HN 0.454 8.803 8.270 0.132 0.000 0.438 108 W N -1.710 119.478 121.300 -0.187 0.000 3.029 108 W HA 0.933 5.475 4.660 -0.416 -0.131 0.339 108 W C -3.053 173.270 176.519 -0.327 0.000 1.198 108 W CA -2.785 54.308 57.345 -0.420 0.000 1.148 108 W CB 3.429 32.364 29.460 -0.875 0.000 1.451 108 W HN 1.022 8.669 8.180 -0.708 0.108 0.564 109 L N -0.589 120.675 121.223 0.069 0.000 2.381 109 L HA 0.748 5.328 4.340 0.063 -0.203 0.274 109 L C -1.802 175.100 176.870 0.052 0.000 0.988 109 L CA -1.200 53.671 54.840 0.052 0.000 0.824 109 L CB 2.968 45.002 42.059 -0.043 0.000 1.263 109 L HN 0.572 8.760 8.230 -0.069 0.000 0.410 110 L N 5.795 127.097 121.223 0.132 0.000 2.318 110 L HA 0.728 5.219 4.340 -0.058 -0.186 0.277 110 L C -1.638 175.237 176.870 0.009 0.000 1.008 110 L CA -1.587 53.260 54.840 0.012 0.000 0.846 110 L CB 2.703 44.745 42.059 -0.027 0.000 1.220 110 L HN 0.716 9.071 8.230 0.209 0.000 0.423 111 T N 9.445 123.996 114.554 -0.004 0.000 2.794 111 T HA 0.606 5.163 4.350 -0.019 -0.218 0.280 111 T C -0.711 173.992 174.700 0.005 0.000 0.987 111 T CA -0.245 61.850 62.100 -0.009 0.000 0.993 111 T CB 1.721 70.582 68.868 -0.012 0.000 0.939 111 T HN 0.794 9.029 8.240 -0.008 0.000 0.449 112 S N 6.343 122.036 115.700 -0.012 0.000 2.549 112 S HA 0.435 5.061 4.470 0.036 -0.134 0.297 112 S C -0.108 174.494 174.600 0.002 0.000 1.115 112 S CA -0.219 57.983 58.200 0.003 0.000 1.059 112 S CB 2.075 65.259 63.200 -0.026 0.000 1.046 112 S HN 0.151 8.442 8.310 -0.033 0.000 0.506 113 G N 2.816 111.634 108.800 0.030 0.000 2.403 113 G HA2 0.025 3.986 3.960 0.001 0.000 0.259 113 G HA3 0.025 3.995 3.960 0.015 0.000 0.259 113 G C -0.827 174.059 174.900 -0.022 0.000 1.244 113 G CA 0.334 45.438 45.100 0.007 0.000 0.849 113 G HN 0.201 8.534 8.290 0.071 0.000 0.532 114 T N -0.263 114.270 114.554 -0.034 0.000 2.716 114 T HA 0.145 4.466 4.350 -0.049 0.000 0.286 114 T C -0.809 173.871 174.700 -0.033 0.000 1.052 114 T CA -1.599 60.473 62.100 -0.047 0.000 1.024 114 T CB 2.433 71.256 68.868 -0.076 0.000 1.349 114 T HN -0.302 7.922 8.240 -0.028 0.000 0.525 115 T N -2.875 111.661 114.554 -0.028 0.000 2.847 115 T HA 0.148 4.490 4.350 -0.013 0.000 0.279 115 T C 0.335 175.037 174.700 0.002 0.000 0.984 115 T CA -1.256 60.837 62.100 -0.011 0.000 0.988 115 T CB 1.280 70.145 68.868 -0.005 0.000 1.040 115 T HN -0.209 8.009 8.240 -0.036 0.000 0.528 116 E N 0.741 120.950 120.200 0.015 0.000 2.110 116 E HA -0.401 3.965 4.350 0.026 0.000 0.193 116 E C 2.427 179.064 176.600 0.062 0.000 0.988 116 E CA 2.903 59.322 56.400 0.031 0.000 0.804 116 E CB -0.275 29.442 29.700 0.028 0.000 0.745 116 E HN 0.401 8.768 8.360 0.011 0.000 0.458 117 A N -0.704 122.155 122.820 0.064 0.000 1.933 117 A HA -0.153 4.239 4.320 0.121 0.000 0.218 117 A C 1.470 179.160 177.584 0.177 0.000 1.175 117 A CA 2.489 54.593 52.037 0.111 0.000 0.628 117 A CB -0.642 18.411 19.000 0.087 0.000 0.814 117 A HN 0.181 8.339 8.150 0.043 0.018 0.444 118 N N -3.483 115.259 118.700 0.070 0.000 2.268 118 N HA 0.097 4.825 4.740 -0.020 0.000 0.204 118 N C 0.344 175.738 175.510 -0.194 0.000 1.124 118 N CA -0.316 52.694 53.050 -0.067 0.000 0.838 118 N CB -0.088 38.325 38.487 -0.123 0.000 0.994 118 N HN -0.585 7.724 8.380 0.033 0.090 0.489 119 A N 1.270 124.072 122.820 -0.030 0.000 2.019 119 A HA -0.086 4.185 4.320 -0.082 0.000 0.219 119 A C 1.801 179.364 177.584 -0.034 0.000 1.164 119 A CA 2.713 54.728 52.037 -0.037 0.000 0.644 119 A CB -0.481 18.537 19.000 0.029 0.000 0.805 119 A HN -0.467 7.523 8.150 0.052 0.191 0.449 120 W N -4.711 116.586 121.300 -0.006 0.000 2.392 120 W HA -0.231 4.423 4.660 -0.009 0.000 0.279 120 W C -0.306 176.209 176.519 -0.008 0.000 1.225 120 W CA 0.836 58.176 57.345 -0.008 0.000 1.233 120 W CB -0.837 28.618 29.460 -0.008 0.000 1.122 120 W HN -0.133 8.168 8.180 0.248 0.028 0.561 121 K N -2.352 117.512 120.400 -0.893 0.000 2.699 121 K HA 0.305 4.306 4.320 -0.531 0.000 0.210 121 K C -0.113 176.238 176.600 -0.415 0.000 1.076 121 K CA -0.566 55.226 56.287 -0.825 0.000 1.109 121 K CB -0.293 31.356 32.500 -1.419 0.000 0.862 121 K HN -0.669 6.787 8.250 -1.099 0.134 0.470 122 S N -0.834 114.714 115.700 -0.254 0.000 2.478 122 S HA -0.001 4.371 4.470 -0.164 0.000 0.222 122 S C -0.517 174.027 174.600 -0.093 0.000 1.008 122 S CA 1.298 59.407 58.200 -0.151 0.000 0.928 122 S CB 1.011 64.150 63.200 -0.100 0.000 0.781 122 S HN -0.418 7.696 8.310 -0.214 0.068 0.518 123 T N 4.957 119.464 114.554 -0.078 0.000 2.779 123 T HA 0.528 5.089 4.350 -0.027 -0.227 0.280 123 T C -0.361 174.320 174.700 -0.032 0.000 0.987 123 T CA 0.404 62.479 62.100 -0.041 0.000 0.966 123 T CB 1.654 70.504 68.868 -0.030 0.000 0.933 123 T HN -0.675 7.512 8.240 -0.089 0.000 0.442 124 L N 6.387 127.617 121.223 0.011 0.000 2.344 124 L HA 0.497 4.821 4.340 -0.027 0.000 0.272 124 L C -1.523 175.332 176.870 -0.026 0.000 1.035 124 L CA -0.747 54.110 54.840 0.029 0.000 0.807 124 L CB 2.799 44.950 42.059 0.152 0.000 1.237 124 L HN 0.611 8.863 8.230 0.037 0.000 0.442 125 V N 0.754 120.514 119.914 -0.257 0.000 2.876 125 V HA 1.010 4.994 4.120 -0.585 -0.214 0.312 125 V C -1.409 174.051 176.094 -1.058 0.000 1.085 125 V CA -2.670 59.292 62.300 -0.564 0.000 0.945 125 V CB 3.725 35.360 31.823 -0.313 0.000 1.017 125 V HN 0.041 8.102 8.190 -0.215 0.000 0.428 126 G N 4.516 112.276 108.800 -1.734 0.000 2.554 126 G HA2 0.254 3.668 3.960 -0.910 0.000 0.306 126 G HA3 0.254 2.900 3.960 -2.190 0.000 0.306 126 G C -3.371 170.729 174.900 -1.334 0.000 1.320 126 G CA 0.383 44.475 45.100 -1.680 0.000 0.800 126 G HN -0.061 7.255 8.290 -1.623 0.000 0.481 127 H N -3.858 114.863 119.070 -0.582 0.000 2.974 127 H HA 0.610 5.181 4.556 -0.145 -0.101 0.366 127 H C -1.866 173.589 175.328 0.212 0.000 1.155 127 H CA -1.514 54.450 56.048 -0.140 0.000 1.186 127 H CB 3.509 33.214 29.762 -0.095 0.000 1.799 127 H HN 0.082 7.719 8.280 -1.072 0.000 0.541 128 D N 2.034 122.697 120.400 0.439 0.000 2.671 128 D HA 0.329 5.224 4.640 0.188 -0.142 0.232 128 D C -0.996 175.417 176.300 0.188 0.000 1.114 128 D CA -0.517 53.652 54.000 0.283 0.000 0.858 128 D CB 4.560 45.528 40.800 0.279 0.000 1.544 128 D HN 0.135 8.805 8.370 0.500 0.000 0.471 129 T N 4.179 118.741 114.554 0.014 0.000 2.812 129 T HA 0.650 5.326 4.350 0.254 -0.174 0.282 129 T C -1.156 173.525 174.700 -0.033 0.000 0.990 129 T CA -0.187 61.981 62.100 0.113 0.000 0.960 129 T CB 1.892 70.846 68.868 0.144 0.000 0.948 129 T HN 0.467 8.994 8.240 -0.052 -0.319 0.438 130 F N 6.247 126.386 119.950 0.315 0.000 2.480 130 F HA 0.676 5.637 4.527 0.383 -0.204 0.329 130 F C -0.090 176.020 175.800 0.517 0.000 1.091 130 F CA -1.500 56.744 58.000 0.407 0.000 0.972 130 F CB 3.469 42.713 39.000 0.406 0.000 1.150 130 F HN 0.940 9.570 8.300 0.549 0.000 0.467 131 T N 4.122 119.076 114.554 0.666 0.000 2.807 131 T HA 0.432 5.073 4.350 0.484 0.000 0.279 131 T C -1.202 173.684 174.700 0.310 0.000 0.993 131 T CA -0.559 61.816 62.100 0.458 0.000 0.970 131 T CB 2.298 71.328 68.868 0.270 0.000 0.950 131 T HN 0.956 9.568 8.240 0.620 0.000 0.441 132 K N 7.057 127.363 120.400 -0.157 0.000 2.185 132 K HA 0.258 4.055 4.320 -1.114 -0.145 0.271 132 K C -0.736 175.649 176.600 -0.358 0.000 1.013 132 K CA -0.368 55.399 56.287 -0.867 0.000 0.943 132 K CB 1.197 32.812 32.500 -1.477 0.000 0.998 132 K HN -0.299 7.925 8.250 -0.043 0.000 0.468 133 V N 4.410 124.123 119.914 -0.335 0.000 2.630 133 V HA 0.103 4.182 4.120 -0.069 0.000 0.305 133 V C -0.987 175.002 176.094 -0.175 0.000 1.046 133 V CA -2.070 60.154 62.300 -0.126 0.000 0.934 133 V CB 1.709 33.548 31.823 0.027 0.000 1.003 133 V HN 0.504 8.387 8.190 -0.511 0.000 0.451 134 K N 5.177 125.513 120.400 -0.108 0.000 2.258 134 K HA 0.223 4.465 4.320 -0.130 0.000 0.284 134 K C -1.819 174.731 176.600 -0.083 0.000 1.051 134 K CA -3.206 53.020 56.287 -0.101 0.000 0.923 134 K CB 0.042 32.501 32.500 -0.068 0.000 1.046 134 K HN 0.114 8.321 8.250 -0.072 0.000 0.474 135 P HA 0.000 4.371 4.420 -0.082 0.000 0.216 135 P CA 0.000 63.040 63.100 -0.099 0.000 0.800 135 P CB 0.000 31.649 31.700 -0.085 0.000 0.726