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 2izd_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 4.395 4.320 0.124 0.000 0.244 13 A C 0.000 177.551 177.584 -0.054 0.000 1.274 13 A CA 0.000 52.075 52.037 0.063 0.000 0.836 13 A CB 0.000 19.030 19.000 0.050 0.000 0.831 14 E N 3.694 123.901 120.200 0.012 0.000 2.031 14 E HA -0.417 3.688 4.350 -0.408 0.000 0.193 14 E C 1.261 177.741 176.600 -0.199 0.000 0.994 14 E CA 3.233 59.551 56.400 -0.137 0.000 0.800 14 E CB -0.772 28.952 29.700 0.040 0.000 0.752 14 E HN 0.711 9.129 8.360 0.096 0.000 0.447 15 A N 0.392 123.149 122.820 -0.105 0.000 1.859 15 A HA -0.359 3.901 4.320 -0.101 0.000 0.218 15 A C 2.554 180.059 177.584 -0.132 0.000 1.209 15 A CA 2.901 54.880 52.037 -0.098 0.000 0.639 15 A CB -1.185 17.785 19.000 -0.049 0.000 0.835 15 A HN 0.208 8.327 8.150 -0.053 0.000 0.450 16 G N -2.512 106.215 108.800 -0.122 0.000 2.596 16 G HA2 -0.277 3.686 3.960 0.006 0.000 0.223 16 G HA3 -0.277 3.613 3.960 -0.115 0.000 0.223 16 G C 1.206 175.956 174.900 -0.251 0.000 1.120 16 G CA 1.878 46.907 45.100 -0.119 0.000 0.752 16 G HN 0.406 8.646 8.290 -0.084 0.000 0.596 17 I N 0.651 120.955 120.570 -0.443 0.000 2.480 17 I HA -0.155 3.930 4.170 -0.143 0.000 0.251 17 I C -0.031 176.036 176.117 -0.084 0.000 1.124 17 I CA 1.659 62.751 61.300 -0.346 0.000 1.444 17 I CB 0.477 38.093 38.000 -0.640 0.000 1.098 17 I HN -0.689 7.122 8.210 -0.449 0.130 0.428 18 T N 2.103 116.543 114.554 -0.190 0.000 2.946 18 T HA -0.375 4.036 4.350 -0.209 -0.186 0.312 18 T C -0.065 174.558 174.700 -0.129 0.000 1.066 18 T CA 3.499 65.499 62.100 -0.166 0.000 1.138 18 T CB 0.012 68.783 68.868 -0.162 0.000 1.014 18 T HN -0.259 7.750 8.240 -0.245 0.084 0.544 19 G N 4.350 113.052 108.800 -0.164 0.000 2.357 19 G HA2 -0.143 3.536 3.960 -0.216 0.000 0.289 19 G HA3 -0.143 3.711 3.960 -0.355 -0.107 0.289 19 G C -2.944 171.795 174.900 -0.268 0.000 1.302 19 G CA 0.121 45.070 45.100 -0.251 0.000 0.936 19 G HN 0.037 8.214 8.290 -0.188 0.000 0.513 20 T N 2.580 116.932 114.554 -0.338 0.000 2.824 20 T HA 0.821 5.245 4.350 -0.138 -0.157 0.280 20 T C -1.178 173.328 174.700 -0.323 0.000 0.995 20 T CA 0.692 62.668 62.100 -0.207 0.000 1.009 20 T CB 2.030 70.826 68.868 -0.121 0.000 0.955 20 T HN 0.349 8.220 8.240 -0.377 0.143 0.452 21 W N 4.503 125.716 121.300 -0.144 0.000 3.033 21 W HA 0.712 5.400 4.660 -0.227 -0.165 0.336 21 W C -1.781 174.807 176.519 0.115 0.000 1.173 21 W CA -1.337 55.957 57.345 -0.084 0.000 1.185 21 W CB 3.972 33.449 29.460 0.028 0.000 1.425 21 W HN 0.794 9.056 8.180 0.136 0.000 0.536 22 Y N -4.168 116.425 120.300 0.490 0.000 2.545 22 Y HA 1.084 6.055 4.550 0.318 -0.230 0.348 22 Y C -1.600 174.484 175.900 0.308 0.000 1.002 22 Y CA -3.145 55.155 58.100 0.333 0.000 1.039 22 Y CB 2.277 40.836 38.460 0.166 0.000 1.271 22 Y HN 0.525 8.487 8.280 -0.529 0.000 0.467 23 N N -0.263 118.612 118.700 0.291 0.000 2.815 23 N HA 0.674 5.550 4.740 -0.087 -0.189 0.315 23 N C 2.068 177.640 175.510 0.103 0.000 1.320 23 N CA -2.976 50.034 53.050 -0.067 0.000 0.846 23 N CB 2.189 40.316 38.487 -0.600 0.000 1.344 23 N HN -0.282 8.285 8.380 0.312 0.000 0.593 24 Q N -1.050 118.777 119.800 0.044 0.000 2.364 24 Q HA -0.151 4.254 4.340 0.109 0.000 0.209 24 Q C 0.381 176.421 176.000 0.068 0.000 0.977 24 Q CA 2.393 58.244 55.803 0.079 0.000 0.885 24 Q CB -0.756 28.024 28.738 0.070 0.000 0.941 24 Q HN 0.322 8.574 8.270 -0.030 0.000 0.464 25 L N -4.108 117.154 121.223 0.064 0.000 2.509 25 L HA -0.020 4.351 4.340 0.051 0.000 0.222 25 L C 0.747 177.657 176.870 0.067 0.000 1.123 25 L CA -0.212 54.666 54.840 0.063 0.000 0.856 25 L CB 0.498 42.599 42.059 0.069 0.000 0.985 25 L HN -0.407 8.095 8.230 0.053 -0.240 0.456 26 G N -1.880 106.973 108.800 0.088 0.000 2.144 26 G HA2 -0.195 3.811 3.960 0.077 0.000 0.218 26 G HA3 -0.195 3.797 3.960 0.053 0.000 0.218 26 G C -0.680 174.283 174.900 0.104 0.000 0.988 26 G CA -0.011 45.138 45.100 0.081 0.000 0.659 26 G HN -0.324 7.993 8.290 0.105 0.037 0.522 27 S N 1.491 117.274 115.700 0.137 0.000 2.632 27 S HA 0.251 4.835 4.470 0.094 -0.058 0.271 27 S C -0.990 173.661 174.600 0.085 0.000 1.260 27 S CA 0.650 58.917 58.200 0.112 0.000 1.010 27 S CB 1.732 65.063 63.200 0.219 0.000 0.965 27 S HN -0.534 8.130 8.310 0.148 -0.265 0.534 28 T N 3.583 118.105 114.554 -0.053 0.000 2.855 28 T HA 0.744 5.348 4.350 0.153 -0.162 0.281 28 T C -1.465 173.115 174.700 -0.202 0.000 1.007 28 T CA -0.290 61.808 62.100 -0.004 0.000 1.009 28 T CB 1.756 70.633 68.868 0.016 0.000 0.983 28 T HN 0.697 8.871 8.240 -0.109 0.000 0.455 29 F N 7.489 127.299 119.950 -0.234 0.000 2.536 29 F HA 0.672 5.071 4.527 -0.432 -0.131 0.322 29 F C -3.147 172.564 175.800 -0.148 0.000 1.144 29 F CA -2.511 55.277 58.000 -0.353 0.000 0.924 29 F CB 3.738 42.428 39.000 -0.516 0.000 1.181 29 F HN 0.866 9.265 8.300 0.164 0.000 0.438 30 I N 7.619 128.011 120.570 -0.297 0.000 2.389 30 I HA 0.695 4.855 4.170 -0.280 -0.158 0.288 30 I C -2.290 173.553 176.117 -0.457 0.000 0.999 30 I CA -2.266 58.855 61.300 -0.298 0.000 1.129 30 I CB 1.117 39.029 38.000 -0.147 0.000 1.288 30 I HN 0.779 8.888 8.210 -0.168 0.000 0.444 31 V N 7.730 127.318 119.914 -0.542 0.000 3.007 31 V HA 0.818 4.858 4.120 -0.404 -0.162 0.311 31 V C -2.088 173.811 176.094 -0.325 0.000 1.120 31 V CA -3.115 58.873 62.300 -0.521 0.000 0.980 31 V CB 4.747 36.010 31.823 -0.934 0.000 1.033 31 V HN 0.617 8.537 8.190 -0.450 0.000 0.429 32 T N 7.823 122.226 114.554 -0.252 0.000 2.841 32 T HA 0.254 4.492 4.350 -0.187 0.000 0.285 32 T C -2.202 172.385 174.700 -0.187 0.000 0.991 32 T CA -0.802 61.189 62.100 -0.183 0.000 0.966 32 T CB 1.744 70.541 68.868 -0.119 0.000 0.962 32 T HN 0.566 8.662 8.240 -0.240 0.000 0.438 33 A N 7.220 129.909 122.820 -0.219 0.000 2.276 33 A HA 0.793 5.147 4.320 -0.228 -0.170 0.316 33 A C -0.858 176.700 177.584 -0.043 0.000 1.229 33 A CA -1.969 49.909 52.037 -0.265 0.000 0.851 33 A CB 1.521 20.153 19.000 -0.612 0.000 1.165 33 A HN 0.472 8.495 8.150 -0.211 0.000 0.513 34 G N 1.072 109.933 108.800 0.103 0.000 2.434 34 G HA2 0.329 4.317 3.960 0.048 0.000 0.330 34 G HA3 0.329 4.334 3.960 0.075 0.000 0.330 34 G C -0.134 174.866 174.900 0.166 0.000 1.155 34 G CA -1.507 43.653 45.100 0.100 0.000 0.917 34 G HN 0.738 9.011 8.290 0.170 0.119 0.493 35 A N 1.854 124.728 122.820 0.089 0.000 1.896 35 A HA -0.333 4.035 4.320 0.079 0.000 0.220 35 A C 1.420 179.018 177.584 0.024 0.000 1.206 35 A CA 2.851 54.925 52.037 0.062 0.000 0.647 35 A CB -0.482 18.535 19.000 0.029 0.000 0.828 35 A HN 0.582 8.767 8.150 0.058 0.000 0.455 36 D N -4.799 115.611 120.400 0.016 0.000 2.355 36 D HA -0.194 4.425 4.640 -0.036 0.000 0.253 36 D C 0.213 176.471 176.300 -0.069 0.000 1.187 36 D CA -0.461 53.526 54.000 -0.021 0.000 0.900 36 D CB -1.947 38.851 40.800 -0.003 0.000 0.915 36 D HN -0.006 8.373 8.370 0.031 0.011 0.516 37 G N -2.956 105.759 108.800 -0.142 0.000 2.148 37 G HA2 -0.515 2.676 3.960 -1.281 0.000 0.254 37 G HA3 -0.515 3.215 3.960 -0.383 0.000 0.254 37 G C -1.416 173.481 174.900 -0.004 0.000 0.981 37 G CA 0.294 45.131 45.100 -0.438 0.000 0.670 37 G HN -0.081 8.052 8.290 -0.070 0.115 0.528 38 A N -1.089 121.842 122.820 0.185 0.000 2.282 38 A HA 0.479 4.901 4.320 0.170 0.000 0.319 38 A C -2.077 175.643 177.584 0.227 0.000 1.121 38 A CA -1.533 50.616 52.037 0.188 0.000 0.836 38 A CB 2.725 21.781 19.000 0.093 0.000 1.146 38 A HN -0.756 7.620 8.150 0.157 -0.132 0.494 39 L N 1.198 122.507 121.223 0.143 0.000 2.376 39 L HA 0.926 5.434 4.340 -0.043 -0.194 0.275 39 L C -0.962 175.909 176.870 0.002 0.000 0.987 39 L CA -0.818 54.042 54.840 0.033 0.000 0.828 39 L CB 3.456 45.560 42.059 0.076 0.000 1.249 39 L HN -0.018 8.294 8.230 0.138 0.000 0.409 40 T N 6.467 120.989 114.554 -0.053 0.000 2.903 40 T HA 0.748 5.245 4.350 -0.012 -0.154 0.299 40 T C -1.187 173.457 174.700 -0.093 0.000 1.093 40 T CA -1.369 60.706 62.100 -0.041 0.000 1.002 40 T CB 3.532 72.387 68.868 -0.022 0.000 1.127 40 T HN 0.297 8.482 8.240 -0.091 0.000 0.488 41 G N 1.117 109.877 108.800 -0.067 0.000 2.344 41 G HA2 0.235 4.143 3.960 -0.086 0.000 0.282 41 G HA3 0.235 4.311 3.960 -0.164 -0.214 0.282 41 G C -2.962 171.927 174.900 -0.018 0.000 1.281 41 G CA 1.026 46.073 45.100 -0.089 0.000 0.877 41 G HN -0.421 7.852 8.290 -0.028 0.000 0.494 42 T N -2.172 112.381 114.554 -0.002 0.000 2.906 42 T HA 1.017 5.634 4.350 0.128 -0.189 0.295 42 T C -2.385 172.420 174.700 0.176 0.000 1.061 42 T CA -2.347 59.809 62.100 0.094 0.000 1.000 42 T CB 3.562 72.468 68.868 0.063 0.000 1.103 42 T HN -0.069 8.136 8.240 -0.057 0.000 0.486 43 Y N 2.216 122.619 120.300 0.172 0.000 2.425 43 Y HA 0.612 5.464 4.550 0.226 -0.167 0.344 43 Y C -2.432 173.700 175.900 0.386 0.000 0.969 43 Y CA -1.835 56.417 58.100 0.254 0.000 1.052 43 Y CB 4.637 43.225 38.460 0.213 0.000 1.215 43 Y HN 0.810 9.210 8.280 0.382 0.109 0.451 44 E N 8.361 128.658 120.200 0.162 0.000 2.155 44 E HA 0.544 5.333 4.350 0.440 -0.174 0.264 44 E C -1.897 174.865 176.600 0.270 0.000 0.886 44 E CA -1.489 55.072 56.400 0.269 0.000 0.752 44 E CB 3.508 33.273 29.700 0.109 0.000 1.133 44 E HN 0.682 8.899 8.360 -0.239 0.000 0.414 45 S N 6.822 122.783 115.700 0.436 0.000 2.608 45 S HA 0.249 4.939 4.470 0.366 0.000 0.291 45 S C -0.277 174.410 174.600 0.145 0.000 1.146 45 S CA -2.016 56.378 58.200 0.323 0.000 1.043 45 S CB 1.758 65.038 63.200 0.133 0.000 1.037 45 S HN 0.556 9.184 8.310 0.530 0.000 0.520 46 A N 5.597 128.479 122.820 0.104 0.000 2.220 46 A HA 0.219 4.569 4.320 0.050 0.000 0.211 46 A C -0.641 176.942 177.584 -0.001 0.000 1.176 46 A CA 0.525 52.593 52.037 0.051 0.000 0.834 46 A CB 0.741 19.777 19.000 0.059 0.000 0.868 46 A HN 0.445 8.681 8.150 0.144 0.000 0.488 47 V N -5.360 114.524 119.914 -0.050 0.000 3.126 47 V HA 0.537 4.614 4.120 -0.073 0.000 0.314 47 V C -0.862 175.105 176.094 -0.213 0.000 1.138 47 V CA -1.345 60.892 62.300 -0.106 0.000 1.034 47 V CB 2.582 34.346 31.823 -0.098 0.000 1.075 47 V HN 0.032 8.156 8.190 -0.048 0.037 0.442 48 G N 4.233 112.911 108.800 -0.203 0.000 2.660 48 G HA2 -0.268 3.550 3.960 -0.238 0.000 0.215 48 G HA3 -0.268 3.430 3.960 -0.438 0.000 0.215 48 G C -1.233 173.549 174.900 -0.197 0.000 1.345 48 G CA -0.349 44.586 45.100 -0.274 0.000 0.877 48 G HN 0.415 8.618 8.290 -0.145 0.000 0.549 49 N N 1.792 120.367 118.700 -0.209 0.000 3.322 49 N HA 0.107 4.813 4.740 -0.055 0.000 0.290 49 N C -1.969 173.501 175.510 -0.066 0.000 1.297 49 N CA -1.168 51.826 53.050 -0.094 0.000 1.167 49 N CB -1.313 37.135 38.487 -0.064 0.000 1.434 49 N HN 0.232 8.438 8.380 -0.291 0.000 0.526 50 A N 0.087 122.878 122.820 -0.048 0.000 2.365 50 A HA 0.427 4.931 4.320 0.306 0.000 0.318 50 A C -1.326 176.391 177.584 0.222 0.000 1.091 50 A CA -1.311 50.804 52.037 0.130 0.000 0.763 50 A CB 2.630 21.604 19.000 -0.043 0.000 1.248 50 A HN -0.566 7.479 8.150 -0.072 0.062 0.442 51 E N 4.377 124.795 120.200 0.364 0.000 2.448 51 E HA 0.218 4.638 4.350 0.118 0.000 0.288 51 E C -1.339 175.295 176.600 0.056 0.000 0.936 51 E CA 0.338 56.833 56.400 0.159 0.000 0.809 51 E CB 2.283 32.036 29.700 0.089 0.000 1.408 51 E HN 0.564 9.319 8.360 0.658 0.000 0.393 52 S N 1.423 117.146 115.700 0.038 0.000 4.044 52 S HA -0.301 4.145 4.470 -0.041 0.000 0.637 52 S C -1.606 172.989 174.600 -0.008 0.000 1.583 52 S CA 0.436 58.603 58.200 -0.054 0.000 1.820 52 S CB 0.171 63.268 63.200 -0.172 0.000 0.329 52 S HN 0.243 8.612 8.310 0.098 0.000 1.700 53 R N 1.475 121.933 120.500 -0.071 0.000 2.500 53 R HA 0.463 5.111 4.340 0.220 -0.177 0.277 53 R C -0.867 175.318 176.300 -0.191 0.000 1.026 53 R CA -0.566 55.549 56.100 0.025 0.000 1.058 53 R CB 1.665 31.992 30.300 0.045 0.000 1.078 53 R HN 0.037 8.263 8.270 -0.074 0.000 0.509 54 Y N -2.374 118.049 120.300 0.206 0.000 2.545 54 Y HA 0.188 4.813 4.550 0.126 0.000 0.348 54 Y C -0.823 175.129 175.900 0.087 0.000 1.002 54 Y CA -1.075 57.111 58.100 0.143 0.000 1.039 54 Y CB 3.280 41.814 38.460 0.123 0.000 1.271 54 Y HN 0.037 8.568 8.280 0.418 0.000 0.467 55 V N 1.466 121.488 119.914 0.179 0.000 2.607 55 V HA 0.129 4.450 4.120 0.095 -0.145 0.289 55 V C -0.579 175.566 176.094 0.085 0.000 1.053 55 V CA 0.634 62.995 62.300 0.101 0.000 0.996 55 V CB 0.636 32.495 31.823 0.060 0.000 0.995 55 V HN 0.751 9.049 8.190 0.181 0.000 0.476 56 L N 1.736 123.008 121.223 0.081 0.000 2.354 56 L HA 1.112 5.699 4.340 0.101 -0.186 0.264 56 L C -1.335 175.584 176.870 0.081 0.000 1.008 56 L CA -1.800 53.100 54.840 0.100 0.000 0.819 56 L CB 4.089 46.215 42.059 0.113 0.000 1.339 56 L HN 0.268 8.538 8.230 0.068 0.000 0.420 57 T N 0.782 115.410 114.554 0.124 0.000 2.993 57 T HA 0.733 5.323 4.350 0.078 -0.194 0.312 57 T C -1.396 173.413 174.700 0.181 0.000 1.115 57 T CA -1.247 60.917 62.100 0.107 0.000 1.027 57 T CB 2.227 71.138 68.868 0.071 0.000 1.116 57 T HN -0.028 8.317 8.240 0.175 0.000 0.464 58 G N 3.532 112.439 108.800 0.179 0.000 2.682 58 G HA2 0.726 4.814 3.960 0.214 0.000 0.303 58 G HA3 0.726 5.021 3.960 0.348 -0.127 0.303 58 G C -2.883 172.135 174.900 0.196 0.000 1.341 58 G CA 0.317 45.560 45.100 0.239 0.000 0.784 58 G HN 0.412 8.781 8.290 0.133 0.000 0.497 59 R N -3.848 116.785 120.500 0.222 0.000 2.799 59 R HA 1.122 5.775 4.340 0.242 -0.167 0.270 59 R C -1.818 174.663 176.300 0.302 0.000 1.010 59 R CA -2.232 53.996 56.100 0.213 0.000 0.916 59 R CB 5.038 35.400 30.300 0.103 0.000 1.228 59 R HN 0.055 8.472 8.270 0.245 0.000 0.469 60 Y N -3.773 116.560 120.300 0.055 0.000 2.728 60 Y HA 0.541 5.247 4.550 0.077 -0.111 0.330 60 Y C -2.143 173.782 175.900 0.042 0.000 1.234 60 Y CA -2.484 55.650 58.100 0.057 0.000 1.070 60 Y CB 1.989 40.472 38.460 0.039 0.000 1.300 60 Y HN 0.384 8.696 8.280 0.053 0.000 0.467 61 D N -0.165 120.229 120.400 -0.010 0.000 2.365 61 D HA 0.230 4.767 4.640 -0.173 0.000 0.237 61 D C 0.025 176.194 176.300 -0.218 0.000 1.190 61 D CA -1.025 52.908 54.000 -0.112 0.000 0.867 61 D CB 0.442 41.261 40.800 0.033 0.000 1.050 61 D HN -0.053 8.453 8.370 0.227 0.000 0.491 62 S N 4.384 119.798 115.700 -0.477 0.000 2.423 62 S HA -0.226 4.103 4.470 -0.235 0.000 0.231 62 S C 0.284 174.851 174.600 -0.054 0.000 1.014 62 S CA 1.799 59.798 58.200 -0.334 0.000 0.965 62 S CB 0.359 63.335 63.200 -0.373 0.000 0.785 62 S HN -0.151 7.869 8.310 -0.483 0.000 0.495 63 A N 0.904 123.691 122.820 -0.055 0.000 3.056 63 A HA 0.498 4.830 4.320 0.020 0.000 0.328 63 A C -2.438 175.161 177.584 0.025 0.000 1.233 63 A CA -3.489 48.548 52.037 -0.001 0.000 0.965 63 A CB -0.223 18.768 19.000 -0.014 0.000 1.123 63 A HN -0.542 7.578 8.150 -0.102 -0.031 0.502 64 P HA 0.073 4.748 4.420 0.071 -0.213 0.291 64 P C -1.161 176.174 177.300 0.059 0.000 1.287 64 P CA -0.469 62.677 63.100 0.077 0.000 0.767 64 P CB 1.209 32.983 31.700 0.124 0.000 1.290 65 A N -3.410 119.446 122.820 0.060 0.000 2.306 65 A HA 0.295 4.638 4.320 0.038 0.000 0.330 65 A C 1.085 178.699 177.584 0.049 0.000 1.146 65 A CA -1.895 50.169 52.037 0.046 0.000 0.827 65 A CB 1.993 21.017 19.000 0.040 0.000 1.178 65 A HN -0.324 7.868 8.150 0.070 0.000 0.490 66 T N 0.548 115.125 114.554 0.040 0.000 3.843 66 T HA -0.013 4.365 4.350 0.046 0.000 0.227 66 T C -1.615 173.106 174.700 0.035 0.000 1.043 66 T CA -0.740 61.383 62.100 0.039 0.000 1.012 66 T CB -1.806 67.081 68.868 0.032 0.000 1.279 66 T HN 0.487 8.767 8.240 0.034 -0.020 0.730 67 D N -0.772 119.651 120.400 0.038 0.000 2.895 67 D HA 0.024 4.681 4.640 0.029 0.000 0.320 67 D C -0.292 176.029 176.300 0.035 0.000 1.249 67 D CA -1.221 52.798 54.000 0.032 0.000 0.997 67 D CB 1.397 42.214 40.800 0.028 0.000 1.430 67 D HN -0.118 7.939 8.370 0.045 0.340 0.558 68 G N -1.971 106.846 108.800 0.029 0.000 3.717 68 G HA2 0.137 4.115 3.960 0.030 0.000 0.258 68 G HA3 0.137 4.109 3.960 0.020 0.000 0.258 68 G C -0.570 174.346 174.900 0.027 0.000 1.088 68 G CA -0.288 44.827 45.100 0.026 0.000 1.737 68 G HN -0.305 8.000 8.290 0.025 0.000 0.648 69 S N 1.135 116.857 115.700 0.037 0.000 2.690 69 S HA 0.183 4.673 4.470 0.032 0.000 0.291 69 S C -0.453 174.179 174.600 0.053 0.000 1.138 69 S CA -0.295 57.929 58.200 0.041 0.000 1.013 69 S CB 2.579 65.806 63.200 0.045 0.000 1.053 69 S HN -0.870 7.463 8.310 0.044 0.004 0.539 70 G N -0.660 108.175 108.800 0.057 0.000 2.502 70 G HA2 0.296 4.366 3.960 0.059 0.000 0.305 70 G HA3 0.296 4.295 3.960 0.065 0.000 0.305 70 G C -1.194 173.786 174.900 0.132 0.000 1.190 70 G CA -0.863 44.283 45.100 0.077 0.000 0.933 70 G HN -0.047 8.273 8.290 0.051 0.000 0.503 71 T N 3.811 118.492 114.554 0.212 0.000 2.749 71 T HA 0.104 4.566 4.350 0.186 0.000 0.287 71 T C -0.771 174.062 174.700 0.222 0.000 0.970 71 T CA 0.523 62.768 62.100 0.242 0.000 0.980 71 T CB 1.197 70.274 68.868 0.348 0.000 0.924 71 T HN 0.104 8.494 8.240 0.250 0.000 0.456 72 A N 9.282 132.204 122.820 0.170 0.000 2.401 72 A HA 0.597 5.187 4.320 0.146 -0.182 0.259 72 A C -1.390 176.307 177.584 0.189 0.000 1.103 72 A CA -0.365 51.763 52.037 0.151 0.000 0.789 72 A CB 0.967 20.030 19.000 0.104 0.000 1.035 72 A HN 0.745 8.983 8.150 0.146 0.000 0.491 73 L N -3.635 117.706 121.223 0.196 0.000 2.669 73 L HA 1.042 5.621 4.340 0.239 -0.095 0.255 73 L C -1.219 175.780 176.870 0.215 0.000 1.123 73 L CA -1.866 53.120 54.840 0.244 0.000 0.941 73 L CB 3.055 45.291 42.059 0.296 0.000 1.552 73 L HN 0.381 8.715 8.230 0.173 0.000 0.394 74 G N -3.826 105.139 108.800 0.275 0.000 2.579 74 G HA2 0.576 4.698 3.960 0.036 0.000 0.292 74 G HA3 0.576 4.590 3.960 0.089 0.000 0.292 74 G C -3.458 171.640 174.900 0.330 0.000 1.484 74 G CA 1.107 46.309 45.100 0.170 0.000 0.813 74 G HN -0.240 8.252 8.290 0.336 0.000 0.515 75 W N -3.253 118.099 121.300 0.085 0.000 3.066 75 W HA 0.696 5.486 4.660 0.055 -0.097 0.330 75 W C -3.146 173.446 176.519 0.122 0.000 1.253 75 W CA -1.653 55.730 57.345 0.063 0.000 1.187 75 W CB 2.027 31.483 29.460 -0.007 0.000 1.434 75 W HN 0.358 8.383 8.180 -0.257 0.000 0.572 76 T N 1.097 115.806 114.554 0.260 0.000 2.893 76 T HA 0.893 5.471 4.350 0.049 -0.198 0.291 76 T C -1.483 173.288 174.700 0.118 0.000 1.028 76 T CA -0.609 61.558 62.100 0.112 0.000 0.995 76 T CB 3.108 71.993 68.868 0.027 0.000 1.051 76 T HN 0.692 9.118 8.240 0.311 0.000 0.470 77 V N 3.874 123.741 119.914 -0.079 0.000 2.569 77 V HA 0.351 4.497 4.120 -0.221 -0.158 0.301 77 V C -2.371 173.318 176.094 -0.674 0.000 1.044 77 V CA -1.047 61.022 62.300 -0.385 0.000 0.874 77 V CB 3.730 35.129 31.823 -0.707 0.000 1.002 77 V HN 0.235 8.339 8.190 -0.143 0.000 0.424 78 A N 5.192 127.724 122.820 -0.479 0.000 2.292 78 A HA 0.592 4.825 4.320 -0.360 -0.130 0.319 78 A C -0.203 177.147 177.584 -0.390 0.000 1.206 78 A CA -1.861 49.974 52.037 -0.337 0.000 0.835 78 A CB 1.875 20.810 19.000 -0.107 0.000 1.164 78 A HN 0.646 8.614 8.150 -0.304 0.000 0.505 79 W N 5.433 126.680 121.300 -0.088 0.000 1.395 79 W HA 0.016 4.398 4.660 -0.463 0.000 0.451 79 W C -1.687 174.886 176.519 0.090 0.000 0.619 79 W CA -0.755 56.473 57.345 -0.195 0.000 2.212 79 W CB -0.658 28.614 29.460 -0.314 0.000 1.537 79 W HN 0.819 8.910 8.180 -0.150 0.000 0.275 80 K N 1.368 122.000 120.400 0.387 0.000 2.482 80 K HA 0.771 5.499 4.320 0.290 -0.234 0.251 80 K C -1.740 175.030 176.600 0.283 0.000 0.936 80 K CA -1.185 55.273 56.287 0.286 0.000 0.791 80 K CB 3.223 35.793 32.500 0.116 0.000 1.213 80 K HN -0.155 8.220 8.250 0.332 0.074 0.428 81 N N 5.032 123.827 118.700 0.158 0.000 3.550 81 N HA 0.253 4.991 4.740 -0.002 0.000 0.345 81 N C -0.832 174.625 175.510 -0.088 0.000 1.647 81 N CA -1.134 51.907 53.050 -0.016 0.000 0.737 81 N CB 0.613 38.967 38.487 -0.223 0.000 2.178 81 N HN 0.857 9.337 8.380 0.166 0.000 0.638 82 N N -1.386 117.159 118.700 -0.258 0.000 2.422 82 N HA 0.097 4.672 4.740 -0.275 0.000 0.181 82 N C 0.111 175.255 175.510 -0.609 0.000 1.080 82 N CA 2.110 54.872 53.050 -0.480 0.000 0.893 82 N CB 0.388 38.464 38.487 -0.685 0.000 0.973 82 N HN 0.122 8.357 8.380 -0.241 0.000 0.456 83 Y N -1.882 118.404 120.300 -0.024 0.000 2.396 83 Y HA 0.062 4.612 4.550 -0.000 0.000 0.292 83 Y C 0.055 175.969 175.900 0.023 0.000 1.128 83 Y CA 1.484 59.581 58.100 -0.005 0.000 1.194 83 Y CB 1.526 39.975 38.460 -0.019 0.000 1.124 83 Y HN -0.610 7.742 8.280 -0.153 -0.163 0.543 84 R N -3.246 117.371 120.500 0.194 0.000 2.867 84 R HA 0.292 4.700 4.340 0.113 0.000 0.268 84 R C -2.471 173.916 176.300 0.144 0.000 1.014 84 R CA -1.434 54.764 56.100 0.164 0.000 0.946 84 R CB 4.180 34.611 30.300 0.217 0.000 1.208 84 R HN 0.211 9.069 8.270 0.198 -0.470 0.477 85 N N -0.395 118.332 118.700 0.045 0.000 2.533 85 N HA 0.341 5.238 4.740 0.014 -0.148 0.289 85 N C -1.539 173.816 175.510 -0.259 0.000 1.103 85 N CA 0.077 53.065 53.050 -0.103 0.000 0.877 85 N CB 1.745 40.096 38.487 -0.226 0.000 1.419 85 N HN 0.304 8.700 8.380 0.027 0.000 0.517 86 A N 2.135 124.874 122.820 -0.134 0.000 2.348 86 A HA 0.182 4.441 4.320 -0.103 0.000 0.224 86 A C -0.326 177.222 177.584 -0.059 0.000 1.227 86 A CA -0.627 51.352 52.037 -0.097 0.000 0.885 86 A CB 1.117 20.109 19.000 -0.014 0.000 0.933 86 A HN 0.929 8.979 8.150 0.016 0.109 0.506 87 H N -3.681 115.449 119.070 0.099 0.000 2.692 87 H HA -0.327 4.269 4.556 0.067 0.000 0.316 87 H C -2.041 173.326 175.328 0.067 0.000 1.176 87 H CA 0.772 56.860 56.048 0.067 0.000 1.142 87 H CB -2.622 27.162 29.762 0.037 0.000 1.475 87 H HN -0.159 8.113 8.280 -0.353 -0.203 0.423 88 S N -4.676 111.125 115.700 0.169 0.000 2.596 88 S HA 0.783 5.412 4.470 0.111 -0.092 0.270 88 S C -2.480 172.230 174.600 0.183 0.000 1.155 88 S CA -0.709 57.592 58.200 0.167 0.000 0.827 88 S CB 4.022 67.312 63.200 0.150 0.000 1.130 88 S HN -0.443 7.965 8.310 0.165 0.000 0.467 89 A N -1.549 121.328 122.820 0.095 0.000 2.520 89 A HA 0.801 5.113 4.320 -0.265 -0.151 0.298 89 A C -2.256 175.280 177.584 -0.080 0.000 1.051 89 A CA -0.277 51.712 52.037 -0.079 0.000 0.690 89 A CB 3.802 22.746 19.000 -0.093 0.000 1.281 89 A HN 0.800 8.996 8.150 0.076 0.000 0.402 90 T N 4.385 118.809 114.554 -0.216 0.000 2.856 90 T HA 1.071 5.486 4.350 -0.268 -0.225 0.283 90 T C -0.494 173.941 174.700 -0.442 0.000 1.008 90 T CA -1.536 60.337 62.100 -0.378 0.000 0.997 90 T CB 2.559 71.035 68.868 -0.654 0.000 0.992 90 T HN 0.642 8.657 8.240 -0.376 0.000 0.454 91 T N 0.632 114.929 114.554 -0.427 0.000 2.863 91 T HA 0.739 5.153 4.350 -0.188 -0.177 0.285 91 T C -1.817 172.641 174.700 -0.404 0.000 1.009 91 T CA -1.698 60.233 62.100 -0.281 0.000 0.989 91 T CB 2.571 71.346 68.868 -0.154 0.000 1.004 91 T HN 0.438 8.446 8.240 -0.386 0.000 0.455 92 W N 2.211 123.128 121.300 -0.638 0.000 2.702 92 W HA 0.400 5.023 4.660 -0.298 -0.142 0.331 92 W C -1.688 174.504 176.519 -0.545 0.000 1.049 92 W CA -1.280 55.657 57.345 -0.680 0.000 1.230 92 W CB 3.932 32.522 29.460 -1.450 0.000 1.408 92 W HN 0.800 8.775 8.180 -0.340 0.000 0.492 93 S N 1.597 117.244 115.700 -0.087 0.000 2.532 93 S HA 0.718 5.297 4.470 -0.035 -0.130 0.299 93 S C -1.108 173.507 174.600 0.025 0.000 1.105 93 S CA -1.420 56.760 58.200 -0.034 0.000 1.018 93 S CB 1.713 64.898 63.200 -0.024 0.000 1.021 93 S HN 0.753 9.046 8.310 -0.028 0.000 0.483 94 G N 3.164 112.003 108.800 0.064 0.000 2.435 94 G HA2 0.494 4.505 3.960 0.085 0.000 0.296 94 G HA3 0.494 4.710 3.960 0.130 -0.178 0.296 94 G C -3.383 171.594 174.900 0.128 0.000 1.240 94 G CA 0.924 46.086 45.100 0.103 0.000 0.872 94 G HN 0.160 8.494 8.290 0.074 0.000 0.480 95 Q N -3.478 116.407 119.800 0.141 0.000 2.418 95 Q HA 0.869 5.510 4.340 0.185 -0.190 0.282 95 Q C -2.438 173.664 176.000 0.170 0.000 1.044 95 Q CA -2.095 53.802 55.803 0.156 0.000 0.813 95 Q CB 4.471 33.276 28.738 0.112 0.000 1.428 95 Q HN 0.083 8.437 8.270 0.140 0.000 0.402 96 Y N 3.089 123.439 120.300 0.085 0.000 2.320 96 Y HA 0.588 5.335 4.550 0.060 -0.161 0.334 96 Y C -2.326 173.637 175.900 0.105 0.000 1.055 96 Y CA -1.495 56.651 58.100 0.076 0.000 1.143 96 Y CB 2.316 40.807 38.460 0.053 0.000 1.193 96 Y HN 0.679 9.029 8.280 0.301 0.111 0.477 97 V N 8.092 127.625 119.914 -0.635 0.000 2.443 97 V HA 0.313 4.223 4.120 -0.350 0.000 0.293 97 V C -0.938 174.747 176.094 -0.682 0.000 1.021 97 V CA -1.316 60.706 62.300 -0.464 0.000 0.848 97 V CB 2.942 34.667 31.823 -0.164 0.000 0.998 97 V HN 0.708 8.580 8.190 -0.529 0.000 0.424 98 G N 4.553 113.009 108.800 -0.575 0.000 2.532 98 G HA2 0.538 4.357 3.960 -0.236 0.000 0.291 98 G HA3 0.538 4.488 3.960 -0.017 0.000 0.291 98 G C -0.828 174.032 174.900 -0.067 0.000 1.349 98 G CA -1.352 43.606 45.100 -0.236 0.000 1.038 98 G HN 0.263 8.314 8.290 -0.397 0.000 0.518 99 G N -2.274 106.532 108.800 0.011 0.000 2.293 99 G HA2 -0.191 3.782 3.960 0.022 0.000 0.282 99 G HA3 -0.191 3.769 3.960 0.001 0.000 0.282 99 G C -1.135 173.776 174.900 0.018 0.000 1.299 99 G CA -0.528 44.580 45.100 0.013 0.000 1.018 99 G HN -0.144 8.179 8.290 0.055 0.000 0.478 100 A N -0.669 122.159 122.820 0.013 0.000 1.930 100 A HA -0.062 4.263 4.320 0.008 0.000 0.217 100 A C 0.463 178.052 177.584 0.008 0.000 1.175 100 A CA 1.341 53.384 52.037 0.010 0.000 0.627 100 A CB 0.227 19.233 19.000 0.010 0.000 0.815 100 A HN 0.094 8.251 8.150 0.012 0.000 0.443 101 E N -0.588 119.621 120.200 0.014 0.000 2.121 101 E HA 0.103 4.461 4.350 0.014 0.000 0.255 101 E C -2.059 174.560 176.600 0.033 0.000 0.906 101 E CA -1.078 55.336 56.400 0.024 0.000 0.745 101 E CB 0.345 30.067 29.700 0.037 0.000 1.155 101 E HN -0.082 8.287 8.360 0.015 0.000 0.424 102 A N 5.414 128.257 122.820 0.039 0.000 2.331 102 A HA 0.289 4.780 4.320 0.005 -0.168 0.283 102 A C -0.960 176.777 177.584 0.255 0.000 1.142 102 A CA -0.476 51.619 52.037 0.097 0.000 0.812 102 A CB 1.771 20.887 19.000 0.193 0.000 1.074 102 A HN 0.296 8.448 8.150 0.004 0.000 0.497 103 R N -0.416 120.218 120.500 0.223 0.000 2.795 103 R HA 0.938 5.795 4.340 0.547 -0.189 0.275 103 R C -1.660 174.768 176.300 0.213 0.000 0.981 103 R CA -2.883 53.409 56.100 0.319 0.000 0.917 103 R CB 4.548 34.953 30.300 0.174 0.000 1.202 103 R HN 0.568 8.853 8.270 0.025 0.000 0.469 104 I N 1.510 122.213 120.570 0.221 0.000 2.410 104 I HA 0.477 4.923 4.170 0.121 -0.203 0.286 104 I C -1.643 174.634 176.117 0.267 0.000 1.009 104 I CA -1.183 60.198 61.300 0.135 0.000 1.111 104 I CB 2.551 40.486 38.000 -0.108 0.000 1.262 104 I HN 0.417 8.829 8.210 0.336 0.000 0.443 105 N N 9.435 128.258 118.700 0.205 0.000 2.419 105 N HA 0.585 5.461 4.740 0.227 0.000 0.277 105 N C -0.625 175.017 175.510 0.219 0.000 1.006 105 N CA -0.903 52.267 53.050 0.200 0.000 0.923 105 N CB 2.138 40.698 38.487 0.122 0.000 1.140 105 N HN 0.471 8.947 8.380 0.159 0.000 0.488 106 T N -0.430 114.290 114.554 0.277 0.000 2.864 106 T HA 0.770 5.370 4.350 0.178 -0.143 0.289 106 T C -1.073 173.768 174.700 0.234 0.000 1.082 106 T CA -2.025 60.233 62.100 0.265 0.000 1.009 106 T CB 3.319 72.423 68.868 0.394 0.000 1.234 106 T HN 0.850 9.272 8.240 0.303 0.000 0.526 107 Q N -0.247 119.641 119.800 0.146 0.000 2.347 107 Q HA 0.755 5.255 4.340 -0.018 -0.171 0.271 107 Q C -1.635 174.358 176.000 -0.012 0.000 1.064 107 Q CA -0.859 54.950 55.803 0.010 0.000 0.800 107 Q CB 4.788 33.502 28.738 -0.041 0.000 1.304 107 Q HN 0.383 8.726 8.270 0.122 0.000 0.438 108 W N -0.204 120.989 121.300 -0.179 0.000 2.962 108 W HA 0.965 5.513 4.660 -0.435 -0.149 0.341 108 W C -3.045 173.279 176.519 -0.325 0.000 1.155 108 W CA -2.996 54.098 57.345 -0.418 0.000 1.165 108 W CB 3.538 32.491 29.460 -0.846 0.000 1.435 108 W HN 0.960 8.698 8.180 -0.560 0.106 0.546 109 L N -0.302 120.946 121.223 0.042 0.000 2.381 109 L HA 0.829 5.410 4.340 0.021 -0.229 0.274 109 L C -1.822 175.097 176.870 0.081 0.000 0.988 109 L CA -1.322 53.541 54.840 0.038 0.000 0.824 109 L CB 3.129 45.155 42.059 -0.054 0.000 1.263 109 L HN 0.199 8.377 8.230 -0.087 0.000 0.410 110 L N 5.019 126.345 121.223 0.171 0.000 2.319 110 L HA 0.653 5.121 4.340 -0.048 -0.157 0.281 110 L C -1.789 175.096 176.870 0.026 0.000 1.005 110 L CA -1.569 53.296 54.840 0.042 0.000 0.828 110 L CB 3.099 45.169 42.059 0.018 0.000 1.227 110 L HN 0.806 9.068 8.230 0.229 0.105 0.415 111 T N 9.718 124.273 114.554 0.001 0.000 2.823 111 T HA 0.704 5.276 4.350 -0.014 -0.231 0.279 111 T C -0.836 173.870 174.700 0.010 0.000 0.998 111 T CA -0.502 61.594 62.100 -0.006 0.000 0.994 111 T CB 2.063 70.922 68.868 -0.014 0.000 0.960 111 T HN 0.927 9.162 8.240 -0.009 0.000 0.448 112 S N 5.367 121.065 115.700 -0.004 0.000 2.578 112 S HA 0.478 5.120 4.470 0.048 -0.143 0.301 112 S C -0.298 174.305 174.600 0.005 0.000 1.091 112 S CA -0.709 57.498 58.200 0.013 0.000 1.032 112 S CB 2.913 66.105 63.200 -0.013 0.000 1.064 112 S HN 0.051 8.345 8.310 -0.026 0.000 0.508 113 G N 2.299 111.116 108.800 0.029 0.000 2.390 113 G HA2 0.039 3.997 3.960 -0.002 0.000 0.270 113 G HA3 0.039 4.006 3.960 0.012 0.000 0.270 113 G C -1.023 173.862 174.900 -0.025 0.000 1.211 113 G CA 0.197 45.299 45.100 0.004 0.000 0.842 113 G HN 0.040 8.372 8.290 0.070 0.000 0.519 114 T N -0.921 113.612 114.554 -0.036 0.000 2.778 114 T HA 0.121 4.439 4.350 -0.053 0.000 0.293 114 T C -0.846 173.832 174.700 -0.036 0.000 1.144 114 T CA -1.575 60.495 62.100 -0.050 0.000 1.010 114 T CB 2.443 71.263 68.868 -0.080 0.000 1.325 114 T HN -0.326 7.896 8.240 -0.030 0.000 0.515 115 T N -2.662 111.873 114.554 -0.032 0.000 2.849 115 T HA 0.131 4.472 4.350 -0.014 0.000 0.284 115 T C 1.130 175.831 174.700 0.001 0.000 1.004 115 T CA -1.129 60.964 62.100 -0.013 0.000 1.021 115 T CB 1.102 69.967 68.868 -0.006 0.000 1.013 115 T HN -0.152 8.064 8.240 -0.040 0.000 0.527 116 E N 1.812 122.020 120.200 0.014 0.000 2.097 116 E HA -0.469 3.896 4.350 0.026 0.000 0.196 116 E C 2.103 178.741 176.600 0.063 0.000 1.000 116 E CA 3.198 59.617 56.400 0.031 0.000 0.804 116 E CB -0.297 29.420 29.700 0.029 0.000 0.740 116 E HN 0.498 8.864 8.360 0.010 0.000 0.454 117 A N -1.426 121.434 122.820 0.066 0.000 1.940 117 A HA -0.191 4.209 4.320 0.133 0.000 0.219 117 A C 0.964 178.665 177.584 0.194 0.000 1.176 117 A CA 2.460 54.568 52.037 0.118 0.000 0.631 117 A CB -0.671 18.382 19.000 0.088 0.000 0.814 117 A HN 0.192 8.357 8.150 0.045 0.012 0.446 118 N N -3.993 114.746 118.700 0.066 0.000 2.238 118 N HA 0.133 4.823 4.740 -0.083 0.000 0.222 118 N C 0.564 175.922 175.510 -0.254 0.000 1.133 118 N CA -0.205 52.779 53.050 -0.111 0.000 0.854 118 N CB 0.420 38.817 38.487 -0.150 0.000 1.041 118 N HN -0.676 7.721 8.380 0.027 0.000 0.510 119 A N 1.282 124.070 122.820 -0.053 0.000 1.972 119 A HA -0.073 4.193 4.320 -0.089 0.000 0.219 119 A C 1.628 179.182 177.584 -0.051 0.000 1.169 119 A CA 2.931 54.940 52.037 -0.047 0.000 0.635 119 A CB -0.358 18.661 19.000 0.031 0.000 0.810 119 A HN -0.350 7.638 8.150 0.058 0.197 0.446 120 W N -4.919 116.378 121.300 -0.005 0.000 2.350 120 W HA -0.251 4.404 4.660 -0.008 0.000 0.289 120 W C -0.300 176.215 176.519 -0.007 0.000 1.215 120 W CA 0.891 58.232 57.345 -0.007 0.000 1.236 120 W CB -0.945 28.511 29.460 -0.008 0.000 1.130 120 W HN -0.082 8.229 8.180 0.252 0.021 0.541 121 K N -1.662 118.215 120.400 -0.872 0.000 2.814 121 K HA 0.362 4.423 4.320 -0.433 0.000 0.213 121 K C -0.050 176.306 176.600 -0.406 0.000 1.113 121 K CA -0.437 55.387 56.287 -0.772 0.000 1.145 121 K CB -0.840 30.799 32.500 -1.436 0.000 0.948 121 K HN -0.756 6.631 8.250 -1.231 0.124 0.464 122 S N -0.714 114.838 115.700 -0.246 0.000 2.478 122 S HA -0.014 4.358 4.470 -0.163 0.000 0.222 122 S C -0.568 173.979 174.600 -0.088 0.000 1.008 122 S CA 1.352 59.464 58.200 -0.148 0.000 0.928 122 S CB 0.819 63.960 63.200 -0.099 0.000 0.781 122 S HN -0.289 7.836 8.310 -0.200 0.065 0.518 123 T N 4.282 118.793 114.554 -0.072 0.000 2.797 123 T HA 0.654 5.240 4.350 -0.020 -0.247 0.279 123 T C -0.506 174.178 174.700 -0.027 0.000 0.991 123 T CA 0.426 62.504 62.100 -0.035 0.000 0.979 123 T CB 1.954 70.804 68.868 -0.030 0.000 0.943 123 T HN -0.685 7.505 8.240 -0.082 0.000 0.444 124 L N 5.778 127.014 121.223 0.022 0.000 2.352 124 L HA 0.526 4.846 4.340 -0.033 0.000 0.269 124 L C -1.490 175.332 176.870 -0.080 0.000 1.034 124 L CA -0.840 54.016 54.840 0.028 0.000 0.806 124 L CB 2.752 44.921 42.059 0.183 0.000 1.244 124 L HN 0.747 8.907 8.230 0.058 0.106 0.447 125 V N 0.034 119.731 119.914 -0.362 0.000 2.876 125 V HA 0.987 4.891 4.120 -0.726 -0.220 0.312 125 V C -1.518 173.855 176.094 -1.202 0.000 1.085 125 V CA -2.622 59.267 62.300 -0.686 0.000 0.945 125 V CB 3.888 35.501 31.823 -0.350 0.000 1.017 125 V HN 0.030 8.042 8.190 -0.297 0.000 0.428 126 G N 4.196 111.945 108.800 -1.753 0.000 2.561 126 G HA2 0.242 3.690 3.960 -0.854 0.000 0.310 126 G HA3 0.242 3.057 3.960 -1.909 0.000 0.310 126 G C -3.383 170.842 174.900 -1.125 0.000 1.292 126 G CA 0.436 44.619 45.100 -1.529 0.000 0.811 126 G HN 0.093 7.412 8.290 -1.618 0.000 0.482 127 H N -3.841 114.969 119.070 -0.433 0.000 2.961 127 H HA 0.605 5.212 4.556 -0.075 -0.096 0.371 127 H C -1.832 173.623 175.328 0.212 0.000 1.190 127 H CA -1.626 54.377 56.048 -0.075 0.000 1.138 127 H CB 3.458 33.180 29.762 -0.065 0.000 1.816 127 H HN 0.063 7.728 8.280 -1.025 0.000 0.551 128 D N -0.172 120.458 120.400 0.385 0.000 2.756 128 D HA 0.335 5.195 4.640 0.153 -0.129 0.226 128 D C -1.556 174.811 176.300 0.112 0.000 1.186 128 D CA -0.212 53.920 54.000 0.220 0.000 0.845 128 D CB 5.067 45.969 40.800 0.170 0.000 1.610 128 D HN 0.271 8.774 8.370 0.411 0.113 0.465 129 T N 3.502 118.026 114.554 -0.051 0.000 2.824 129 T HA 0.748 5.371 4.350 0.170 -0.171 0.282 129 T C -1.210 173.422 174.700 -0.114 0.000 0.993 129 T CA -0.360 61.765 62.100 0.042 0.000 0.967 129 T CB 1.991 70.917 68.868 0.098 0.000 0.960 129 T HN 0.287 8.771 8.240 -0.097 -0.302 0.441 130 F N 5.602 125.665 119.950 0.189 0.000 2.495 130 F HA 0.649 5.502 4.527 0.197 -0.208 0.327 130 F C -0.104 175.867 175.800 0.285 0.000 1.103 130 F CA -1.607 56.523 58.000 0.217 0.000 0.949 130 F CB 3.609 42.718 39.000 0.182 0.000 1.142 130 F HN 0.955 9.392 8.300 0.404 0.106 0.457 131 T N 4.649 119.324 114.554 0.201 0.000 2.823 131 T HA 0.437 4.895 4.350 0.179 0.000 0.279 131 T C -1.251 173.204 174.700 -0.408 0.000 0.998 131 T CA -0.416 61.636 62.100 -0.079 0.000 0.994 131 T CB 2.134 70.857 68.868 -0.242 0.000 0.960 131 T HN 0.747 8.971 8.240 -0.027 0.000 0.448 132 K N 6.467 126.580 120.400 -0.478 0.000 2.143 132 K HA 0.186 3.875 4.320 -1.258 -0.124 0.272 132 K C -1.435 174.868 176.600 -0.495 0.000 1.001 132 K CA 0.116 55.787 56.287 -1.027 0.000 0.915 132 K CB 1.378 32.975 32.500 -1.505 0.000 1.047 132 K HN -0.230 7.871 8.250 -0.249 0.000 0.458 133 V N 4.379 124.059 119.914 -0.390 0.000 3.134 133 V HA 0.266 4.365 4.120 -0.035 0.000 0.222 133 V C -0.624 175.371 176.094 -0.166 0.000 1.247 133 V CA -0.157 62.090 62.300 -0.089 0.000 1.281 133 V CB 2.248 34.181 31.823 0.182 0.000 1.169 133 V HN 0.677 8.535 8.190 -0.553 0.000 0.512 134 K N 0.533 120.807 120.400 -0.209 0.000 2.166 134 K HA 0.538 4.772 4.320 -0.144 0.000 0.245 134 K C -2.033 174.410 176.600 -0.261 0.000 0.967 134 K CA -3.209 52.968 56.287 -0.183 0.000 0.863 134 K CB 0.431 32.854 32.500 -0.127 0.000 1.107 134 K HN -0.563 7.550 8.250 -0.229 0.000 0.436 135 P HA 0.000 4.477 4.420 -0.211 -0.184 0.216 135 P CA 0.000 62.995 63.100 -0.175 0.000 0.800 135 P CB 0.000 31.622 31.700 -0.130 0.000 0.726