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 2z2l_1_D DATA FIRST_RESID 73 DATA SEQUENCE PAKRGTIYDR NGVPIAEDAT SYNVYAVIDX XXXXXXXXXX YVEKTQFNXX DATA SEQUENCE XXXXXXXXXX EESYVREQLS QPNLKQVSFG AKGNGITYAN MMSIKKEXXX DATA SEQUENCE AEVKGIDFTT SPNRSYPNGQ FASSFIGLAQ LHENEDGSKS LLGTSGMESS DATA SEQUENCE LNSILAGTDG 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 73 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 73 P C 0.000 177.348 177.300 0.079 0.000 1.155 73 P CA 0.000 63.156 63.100 0.093 0.000 0.800 73 P CB 0.000 31.787 31.700 0.145 0.000 0.726 74 A N 2.975 125.826 122.820 0.052 0.000 2.440 74 A HA 0.423 4.743 4.320 -0.001 0.000 0.251 74 A C 0.412 177.996 177.584 -0.001 0.000 1.089 74 A CA -0.258 51.796 52.037 0.028 0.000 0.779 74 A CB 0.387 19.400 19.000 0.021 0.000 1.022 74 A HN 0.439 8.589 8.150 -0.000 0.000 0.492 75 K N 1.087 121.459 120.400 -0.046 0.000 2.355 75 K HA 0.093 4.412 4.320 -0.001 0.000 0.270 75 K C 0.309 176.863 176.600 -0.075 0.000 1.003 75 K CA -0.123 56.099 56.287 -0.110 0.000 0.957 75 K CB 0.696 33.070 32.500 -0.211 0.000 0.939 75 K HN 0.749 8.999 8.250 -0.000 0.000 0.482 76 R N 0.958 121.405 120.500 -0.088 0.000 2.298 76 R HA 0.107 4.447 4.340 -0.001 0.000 0.310 76 R C 0.191 176.439 176.300 -0.087 0.000 1.068 76 R CA -0.161 55.894 56.100 -0.075 0.000 0.957 76 R CB 0.618 30.870 30.300 -0.079 0.000 1.003 76 R HN 0.793 9.063 8.270 -0.000 0.000 0.454 77 G N 2.407 111.171 108.800 -0.060 0.000 2.568 77 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.231 77 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.231 77 G C -0.523 174.317 174.900 -0.100 0.000 1.261 77 G CA -0.164 44.905 45.100 -0.051 0.000 0.855 77 G HN 0.585 8.875 8.290 -0.000 0.000 0.576 78 T N 1.538 116.019 114.554 -0.122 0.000 2.845 78 T HA 0.341 4.691 4.350 -0.001 0.000 0.288 78 T C 0.604 175.144 174.700 -0.267 0.000 0.980 78 T CA -0.021 61.899 62.100 -0.300 0.000 1.071 78 T CB 0.951 69.483 68.868 -0.559 0.000 0.941 78 T HN 0.299 8.539 8.240 -0.000 0.000 0.487 79 I N 3.895 124.305 120.570 -0.265 0.000 2.312 79 I HA 0.286 4.456 4.170 -0.001 0.000 0.291 79 I C -0.623 175.382 176.117 -0.186 0.000 1.031 79 I CA -0.377 60.844 61.300 -0.132 0.000 1.293 79 I CB 0.255 38.223 38.000 -0.053 0.000 1.403 79 I HN 0.573 8.783 8.210 -0.000 0.000 0.484 80 Y N 4.350 124.652 120.300 0.003 0.000 2.567 80 Y HA 0.270 4.819 4.550 -0.002 0.000 0.333 80 Y C 0.519 176.445 175.900 0.043 0.000 1.106 80 Y CA -0.890 57.214 58.100 0.007 0.000 1.157 80 Y CB 0.913 39.373 38.460 0.001 0.000 1.277 80 Y HN 0.586 8.866 8.280 -0.000 0.000 0.490 81 D N 0.029 120.581 120.400 0.252 0.000 2.425 81 D HA 0.059 4.699 4.640 -0.001 0.000 0.274 81 D C 0.959 177.349 176.300 0.149 0.000 1.242 81 D CA -0.419 53.701 54.000 0.200 0.000 1.060 81 D CB 0.282 41.202 40.800 0.200 0.000 1.112 81 D HN 0.671 9.041 8.370 -0.000 0.000 0.561 82 R N -1.073 119.496 120.500 0.115 0.000 2.280 82 R HA 0.050 4.390 4.340 -0.001 0.000 0.207 82 R C 0.392 176.714 176.300 0.037 0.000 1.043 82 R CA 0.709 56.852 56.100 0.071 0.000 1.006 82 R CB -0.435 29.904 30.300 0.065 0.000 0.885 82 R HN 0.212 8.482 8.270 -0.000 0.000 0.467 83 N N -0.176 118.548 118.700 0.041 0.000 2.184 83 N HA 0.108 4.847 4.740 -0.001 0.000 0.206 83 N C 0.443 175.934 175.510 -0.033 0.000 1.151 83 N CA 0.841 53.895 53.050 0.006 0.000 0.878 83 N CB 1.677 40.177 38.487 0.022 0.000 1.014 83 N HN 0.491 8.871 8.380 -0.000 0.000 0.512 84 G N 0.404 109.188 108.800 -0.026 0.000 2.134 84 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.209 84 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.209 84 G C -0.217 174.777 174.900 0.158 0.000 0.993 84 G CA -0.163 44.850 45.100 -0.146 0.000 0.669 84 G HN 0.117 8.407 8.290 -0.000 0.000 0.519 85 V N 1.895 121.919 119.914 0.184 0.000 2.405 85 V HA 0.353 4.472 4.120 -0.001 0.000 0.264 85 V C -1.456 174.745 176.094 0.179 0.000 1.048 85 V CA -1.302 61.092 62.300 0.158 0.000 0.966 85 V CB 0.978 32.845 31.823 0.073 0.000 1.015 85 V HN 0.158 8.348 8.190 -0.000 0.000 0.477 86 P HA 0.279 4.699 4.420 -0.000 0.000 0.271 86 P C 0.455 177.629 177.300 -0.211 0.000 1.216 86 P CA 0.167 63.158 63.100 -0.181 0.000 0.771 86 P CB 0.983 32.535 31.700 -0.247 0.000 0.864 87 I N 1.247 121.678 120.570 -0.232 0.000 3.443 87 I HA 0.228 4.398 4.170 -0.001 0.000 0.277 87 I C 0.696 176.728 176.117 -0.141 0.000 1.169 87 I CA 0.387 61.572 61.300 -0.192 0.000 1.419 87 I CB 0.195 38.170 38.000 -0.043 0.000 1.331 87 I HN 0.259 8.469 8.210 -0.000 0.000 0.458 88 A N 2.084 124.777 122.820 -0.213 0.000 2.357 88 A HA 0.642 4.962 4.320 -0.001 0.000 0.295 88 A C -0.866 176.483 177.584 -0.391 0.000 1.121 88 A CA -0.383 51.435 52.037 -0.365 0.000 0.742 88 A CB 0.596 19.464 19.000 -0.219 0.000 1.181 88 A HN 0.281 8.431 8.150 -0.000 0.000 0.454 89 E N 2.026 121.977 120.200 -0.416 0.000 2.293 89 E HA 0.379 4.729 4.350 -0.001 0.000 0.270 89 E C -1.553 174.876 176.600 -0.285 0.000 0.879 89 E CA -0.934 55.269 56.400 -0.328 0.000 0.756 89 E CB 1.922 31.446 29.700 -0.293 0.000 1.208 89 E HN 0.361 8.721 8.360 -0.000 0.000 0.428 90 D N 2.140 122.403 120.400 -0.229 0.000 2.382 90 D HA 0.159 4.798 4.640 -0.001 0.000 0.259 90 D C -0.473 175.720 176.300 -0.178 0.000 1.224 90 D CA 0.073 53.955 54.000 -0.196 0.000 0.894 90 D CB 1.010 41.704 40.800 -0.177 0.000 1.127 90 D HN 0.559 8.929 8.370 -0.000 0.000 0.487 91 A N 3.568 126.288 122.820 -0.166 0.000 2.701 91 A HA 0.218 4.537 4.320 -0.001 0.000 0.297 91 A C 0.627 178.125 177.584 -0.144 0.000 1.197 91 A CA -0.522 51.436 52.037 -0.132 0.000 0.963 91 A CB -0.024 18.907 19.000 -0.115 0.000 1.175 91 A HN 0.441 8.591 8.150 -0.000 0.000 0.531 92 T N 2.336 116.776 114.554 -0.191 0.000 2.928 92 T HA 0.330 4.680 4.350 -0.001 0.000 0.305 92 T C 0.853 175.260 174.700 -0.489 0.000 1.035 92 T CA 0.917 62.834 62.100 -0.304 0.000 1.145 92 T CB 0.515 69.195 68.868 -0.314 0.000 0.963 92 T HN 0.706 8.946 8.240 -0.000 0.000 0.545 93 S N 2.331 117.733 115.700 -0.497 0.000 2.718 93 S HA 0.766 5.236 4.470 -0.001 0.000 0.300 93 S C -1.265 172.925 174.600 -0.684 0.000 1.117 93 S CA -0.885 57.032 58.200 -0.472 0.000 1.002 93 S CB 0.863 63.988 63.200 -0.125 0.000 1.092 93 S HN 0.589 8.899 8.310 -0.000 0.000 0.542 94 Y N -0.384 120.008 120.300 0.153 0.000 2.602 94 Y HA 0.592 5.141 4.550 -0.001 0.000 0.342 94 Y C 0.005 176.097 175.900 0.320 0.000 1.029 94 Y CA -1.136 57.115 58.100 0.251 0.000 1.080 94 Y CB 1.750 40.361 38.460 0.252 0.000 1.284 94 Y HN 0.670 8.950 8.280 -0.000 0.000 0.485 95 N N 0.397 119.420 118.700 0.538 0.000 2.249 95 N HA 0.428 5.167 4.740 -0.001 0.000 0.296 95 N C -1.863 173.732 175.510 0.143 0.000 1.051 95 N CA -0.612 52.624 53.050 0.310 0.000 0.815 95 N CB 3.057 41.655 38.487 0.186 0.000 1.487 95 N HN 0.425 8.805 8.380 -0.000 0.000 0.475 96 V N 2.721 122.588 119.914 -0.078 0.000 2.532 96 V HA 0.658 4.778 4.120 -0.001 0.000 0.295 96 V C -1.349 174.790 176.094 0.075 0.000 1.041 96 V CA -0.241 61.777 62.300 -0.470 0.000 0.926 96 V CB 0.533 31.987 31.823 -0.615 0.000 0.992 96 V HN 0.713 8.903 8.190 -0.000 0.000 0.457 97 Y N 4.046 124.260 120.300 -0.143 0.000 2.625 97 Y HA 0.914 5.464 4.550 -0.001 0.000 0.338 97 Y C -0.660 175.275 175.900 0.058 0.000 1.123 97 Y CA -1.026 57.065 58.100 -0.015 0.000 1.046 97 Y CB 1.418 39.822 38.460 -0.094 0.000 1.299 97 Y HN 0.805 9.085 8.280 -0.000 0.000 0.464 98 A N 1.412 124.244 122.820 0.019 0.000 2.371 98 A HA 0.744 5.063 4.320 -0.001 0.000 0.311 98 A C -1.773 175.803 177.584 -0.013 0.000 1.068 98 A CA -0.872 51.152 52.037 -0.021 0.000 0.744 98 A CB 1.410 20.514 19.000 0.172 0.000 1.239 98 A HN 0.799 8.949 8.150 -0.000 0.000 0.435 99 V N 3.692 123.600 119.914 -0.010 0.000 2.304 99 V HA 0.311 4.431 4.120 -0.001 0.000 0.269 99 V C -0.242 175.877 176.094 0.041 0.000 1.036 99 V CA -0.058 62.261 62.300 0.032 0.000 0.840 99 V CB 0.163 32.017 31.823 0.052 0.000 1.036 99 V HN 0.678 8.868 8.190 -0.000 0.000 0.466 100 I N 1.199 121.765 120.570 -0.007 0.000 2.306 100 I HA 0.782 4.951 4.170 -0.001 0.000 0.288 100 I C -0.408 175.588 176.117 -0.202 0.000 1.036 100 I CA 0.092 61.389 61.300 -0.005 0.000 1.221 100 I CB 0.861 38.900 38.000 0.066 0.000 1.385 100 I HN 0.396 8.606 8.210 -0.000 0.000 0.472 114 V N 2.514 122.632 119.914 0.341 0.000 2.407 114 V HA 0.615 4.735 4.120 -0.001 0.000 0.278 114 V C -0.471 175.859 176.094 0.393 0.000 1.037 114 V CA 0.294 62.748 62.300 0.256 0.000 0.900 114 V CB 0.913 32.864 31.823 0.213 0.000 0.983 114 V HN 0.926 9.116 8.190 -0.000 0.000 0.459 115 E N 4.565 124.911 120.200 0.243 0.000 2.447 115 E HA 0.507 4.857 4.350 -0.001 0.000 0.251 115 E C 0.144 176.740 176.600 -0.006 0.000 0.910 115 E CA -0.950 55.577 56.400 0.211 0.000 0.841 115 E CB 1.141 30.888 29.700 0.080 0.000 1.403 115 E HN 0.353 8.713 8.360 -0.000 0.000 0.400 116 K N -0.161 120.009 120.400 -0.383 0.000 2.218 116 K HA -0.093 4.227 4.320 -0.001 0.000 0.205 116 K C 1.785 178.038 176.600 -0.579 0.000 1.046 116 K CA 2.173 57.869 56.287 -0.986 0.000 0.933 116 K CB -0.570 31.561 32.500 -0.616 0.000 0.728 116 K HN 0.486 8.736 8.250 -0.000 0.000 0.454 117 T N 0.952 115.365 114.554 -0.234 0.000 2.821 117 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 117 T C 1.492 176.188 174.700 -0.007 0.000 1.046 117 T CA 1.246 63.284 62.100 -0.103 0.000 1.139 117 T CB -0.140 68.691 68.868 -0.062 0.000 0.871 117 T HN 0.327 8.567 8.240 -0.000 0.000 0.454 118 Q N -0.246 119.605 119.800 0.084 0.000 2.403 118 Q HA 0.211 4.550 4.340 -0.001 0.000 0.203 118 Q C 1.066 177.235 176.000 0.282 0.000 0.932 118 Q CA 0.000 55.900 55.803 0.161 0.000 0.945 118 Q CB -0.115 28.712 28.738 0.149 0.000 1.045 118 Q HN 0.364 8.634 8.270 -0.000 0.000 0.511 119 F N 1.479 121.439 119.950 0.017 0.000 2.529 119 F HA -0.127 4.399 4.527 -0.002 0.000 0.297 119 F C 0.532 176.338 175.800 0.009 0.000 1.114 119 F CA 0.377 58.391 58.000 0.023 0.000 1.467 119 F CB -0.868 38.150 39.000 0.029 0.000 1.096 119 F HN 0.107 8.407 8.300 -0.000 0.000 0.586 134 E N 1.494 121.730 120.200 0.061 0.000 2.028 134 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 134 E C 1.691 178.343 176.600 0.087 0.000 0.988 134 E CA 1.878 58.314 56.400 0.059 0.000 0.799 134 E CB 0.230 29.954 29.700 0.041 0.000 0.755 134 E HN 0.132 8.492 8.360 -0.000 0.000 0.447 135 S N -0.461 115.297 115.700 0.097 0.000 2.515 135 S HA -0.147 4.322 4.470 -0.001 0.000 0.231 135 S C 1.822 176.494 174.600 0.120 0.000 0.987 135 S CA 0.492 58.749 58.200 0.095 0.000 0.936 135 S CB -0.484 62.763 63.200 0.078 0.000 0.766 135 S HN 0.445 8.755 8.310 -0.000 0.000 0.528 136 Y N 2.995 123.315 120.300 0.033 0.000 2.181 136 Y HA -0.143 4.407 4.550 -0.001 0.000 0.288 136 Y C 2.150 178.095 175.900 0.077 0.000 1.146 136 Y CA 1.487 59.617 58.100 0.049 0.000 1.164 136 Y CB -0.503 37.986 38.460 0.048 0.000 0.982 136 Y HN 0.149 8.429 8.280 -0.000 0.000 0.515 137 V N 0.842 120.828 119.914 0.120 0.000 2.261 137 V HA -0.326 3.793 4.120 -0.001 0.000 0.246 137 V C 2.380 178.455 176.094 -0.032 0.000 1.047 137 V CA 2.369 64.701 62.300 0.053 0.000 1.015 137 V CB -0.739 31.068 31.823 -0.026 0.000 0.642 137 V HN 0.330 8.520 8.190 -0.000 0.000 0.446 138 R N 0.062 120.551 120.500 -0.019 0.000 2.081 138 R HA -0.172 4.167 4.340 -0.001 0.000 0.235 138 R C 2.349 178.633 176.300 -0.027 0.000 1.131 138 R CA 1.761 57.862 56.100 0.001 0.000 0.960 138 R CB -0.368 30.008 30.300 0.127 0.000 0.856 138 R HN 0.635 8.905 8.270 -0.000 0.000 0.436 139 E N 0.456 120.627 120.200 -0.047 0.000 2.077 139 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 139 E C 2.210 178.730 176.600 -0.134 0.000 0.989 139 E CA 0.945 57.303 56.400 -0.069 0.000 0.800 139 E CB 0.030 29.678 29.700 -0.087 0.000 0.746 139 E HN 0.289 8.649 8.360 -0.000 0.000 0.452 140 Q N 0.277 119.940 119.800 -0.227 0.000 2.084 140 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 140 Q C 2.354 178.206 176.000 -0.246 0.000 0.978 140 Q CA 1.105 56.738 55.803 -0.283 0.000 0.844 140 Q CB -0.171 28.341 28.738 -0.376 0.000 0.898 140 Q HN 0.363 8.633 8.270 -0.000 0.000 0.426 141 L N 0.194 121.256 121.223 -0.267 0.000 2.395 141 L HA -0.030 4.309 4.340 -0.001 0.000 0.218 141 L C 1.885 178.697 176.870 -0.096 0.000 1.130 141 L CA 0.506 55.123 54.840 -0.372 0.000 0.826 141 L CB 0.039 41.455 42.059 -1.072 0.000 0.941 141 L HN -0.016 8.214 8.230 -0.000 0.000 0.451 142 S N -1.375 114.330 115.700 0.008 0.000 2.575 142 S HA 0.070 4.539 4.470 -0.001 0.000 0.215 142 S C 0.590 175.218 174.600 0.046 0.000 0.966 142 S CA -0.171 58.110 58.200 0.135 0.000 0.911 142 S CB -0.064 63.229 63.200 0.155 0.000 0.780 142 S HN 0.382 8.692 8.310 -0.000 0.000 0.514 143 Q N 2.449 122.239 119.800 -0.017 0.000 2.330 143 Q HA 0.153 4.492 4.340 -0.001 0.000 0.279 143 Q C -2.423 173.568 176.000 -0.014 0.000 1.024 143 Q CA -1.088 54.695 55.803 -0.032 0.000 0.900 143 Q CB 0.051 28.744 28.738 -0.074 0.000 1.221 143 Q HN 0.158 8.428 8.270 -0.000 0.000 0.396 144 P HA 0.141 4.561 4.420 -0.000 0.000 0.282 144 P C -0.946 176.343 177.300 -0.019 0.000 1.249 144 P CA -0.406 62.690 63.100 -0.007 0.000 0.806 144 P CB 0.697 32.394 31.700 -0.005 0.000 0.984 145 N N -0.133 118.556 118.700 -0.019 0.000 2.780 145 N HA -0.146 4.594 4.740 -0.001 0.000 0.248 145 N C -1.094 174.394 175.510 -0.037 0.000 1.102 145 N CA 0.849 53.884 53.050 -0.026 0.000 0.697 145 N CB -2.000 36.473 38.487 -0.023 0.000 1.028 145 N HN 0.425 8.805 8.380 -0.000 0.000 0.554 146 L N 0.201 121.398 121.223 -0.043 0.000 2.376 146 L HA 0.322 4.661 4.340 -0.001 0.000 0.275 146 L C 1.451 178.284 176.870 -0.062 0.000 0.987 146 L CA -0.886 53.920 54.840 -0.056 0.000 0.828 146 L CB 1.807 43.823 42.059 -0.071 0.000 1.249 146 L HN -0.113 8.117 8.230 -0.000 0.000 0.409 147 K N 1.782 122.144 120.400 -0.063 0.000 2.097 147 K HA -0.049 4.270 4.320 -0.001 0.000 0.205 147 K C 0.234 176.800 176.600 -0.057 0.000 1.050 147 K CA 0.988 57.232 56.287 -0.071 0.000 0.938 147 K CB 0.153 32.618 32.500 -0.058 0.000 0.718 147 K HN 0.651 8.901 8.250 -0.000 0.000 0.442 148 Q N -0.185 119.589 119.800 -0.044 0.000 2.418 148 Q HA 0.567 4.906 4.340 -0.001 0.000 0.282 148 Q C -1.288 174.669 176.000 -0.071 0.000 1.044 148 Q CA -0.833 54.963 55.803 -0.011 0.000 0.813 148 Q CB 2.349 31.133 28.738 0.077 0.000 1.428 148 Q HN -0.183 8.087 8.270 -0.000 0.000 0.402 149 V N 1.117 120.964 119.914 -0.111 0.000 2.760 149 V HA 0.450 4.570 4.120 -0.001 0.000 0.309 149 V C -0.636 175.187 176.094 -0.452 0.000 1.077 149 V CA -0.430 61.697 62.300 -0.288 0.000 0.910 149 V CB 2.291 33.893 31.823 -0.369 0.000 1.008 149 V HN 0.938 9.128 8.190 -0.000 0.000 0.424 150 S N 3.232 118.665 115.700 -0.446 0.000 2.730 150 S HA 0.677 5.147 4.470 -0.001 0.000 0.284 150 S C -0.423 173.760 174.600 -0.694 0.000 1.153 150 S CA -0.284 57.660 58.200 -0.426 0.000 0.995 150 S CB 1.018 64.125 63.200 -0.155 0.000 1.058 150 S HN 0.555 8.865 8.310 -0.000 0.000 0.552 151 F N 1.054 121.042 119.950 0.064 0.000 2.850 151 F HA 0.444 4.971 4.527 -0.000 0.000 0.329 151 F C 1.326 177.289 175.800 0.271 0.000 1.182 151 F CA 0.118 58.226 58.000 0.180 0.000 1.270 151 F CB -0.110 38.985 39.000 0.157 0.000 0.979 151 F HN 0.914 9.214 8.300 -0.000 0.000 0.506 152 G N 1.486 110.444 108.800 0.262 0.000 2.552 152 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.265 152 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.265 152 G C 1.166 176.138 174.900 0.120 0.000 1.234 152 G CA 0.126 45.344 45.100 0.195 0.000 0.944 152 G HN 0.551 8.841 8.290 -0.000 0.000 0.568 153 A N -0.924 121.933 122.820 0.062 0.000 1.968 153 A HA 0.121 4.441 4.320 -0.001 0.000 0.217 153 A C 2.303 179.902 177.584 0.025 0.000 1.169 153 A CA 2.280 54.336 52.037 0.031 0.000 0.638 153 A CB -0.379 18.623 19.000 0.005 0.000 0.812 153 A HN 0.610 8.760 8.150 -0.000 0.000 0.446 154 K N -0.456 119.941 120.400 -0.005 0.000 2.063 154 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 154 K C 1.358 177.987 176.600 0.049 0.000 1.048 154 K CA 1.316 57.596 56.287 -0.012 0.000 0.928 154 K CB -0.494 31.953 32.500 -0.088 0.000 0.713 154 K HN 0.427 8.677 8.250 -0.000 0.000 0.442 155 G N 2.049 110.912 108.800 0.106 0.000 3.741 155 G HA2 0.048 4.007 3.960 -0.001 0.000 0.263 155 G HA3 0.048 4.007 3.960 -0.001 0.000 0.263 155 G C -0.438 174.545 174.900 0.139 0.000 1.175 155 G CA -0.288 44.893 45.100 0.135 0.000 1.642 155 G HN 0.120 8.410 8.290 -0.000 0.000 0.644 156 N N -0.223 118.546 118.700 0.115 0.000 2.264 156 N HA 0.474 5.213 4.740 -0.001 0.000 0.288 156 N C 0.501 176.068 175.510 0.096 0.000 1.094 156 N CA 0.241 53.355 53.050 0.107 0.000 0.817 156 N CB 2.031 40.562 38.487 0.073 0.000 1.604 156 N HN 0.343 8.723 8.380 -0.000 0.000 0.473 157 G N 1.150 110.008 108.800 0.097 0.000 2.225 157 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.264 157 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.264 157 G C -0.161 174.800 174.900 0.102 0.000 1.060 157 G CA -0.083 45.058 45.100 0.070 0.000 0.833 157 G HN 0.545 8.835 8.290 -0.000 0.000 0.498 158 I N 2.003 122.680 120.570 0.178 0.000 2.471 158 I HA 0.272 4.441 4.170 -0.001 0.000 0.286 158 I C 1.629 177.894 176.117 0.247 0.000 1.079 158 I CA 0.185 61.618 61.300 0.221 0.000 1.398 158 I CB 0.702 38.903 38.000 0.334 0.000 1.403 158 I HN 0.373 8.583 8.210 -0.000 0.000 0.530 159 T N 2.587 117.248 114.554 0.178 0.000 2.748 159 T HA -0.052 4.297 4.350 -0.001 0.000 0.304 159 T C 0.901 175.778 174.700 0.295 0.000 1.041 159 T CA 0.040 62.257 62.100 0.196 0.000 1.033 159 T CB 0.641 69.579 68.868 0.117 0.000 0.995 159 T HN 0.535 8.775 8.240 -0.000 0.000 0.536 160 Y N 1.425 121.842 120.300 0.195 0.000 2.263 160 Y HA 0.145 4.694 4.550 -0.001 0.000 0.292 160 Y C 2.682 178.574 175.900 -0.013 0.000 1.130 160 Y CA 1.426 59.615 58.100 0.149 0.000 1.179 160 Y CB -1.067 37.502 38.460 0.182 0.000 0.998 160 Y HN 0.840 9.120 8.280 -0.000 0.000 0.532 161 A N 0.601 123.426 122.820 0.008 0.000 1.865 161 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 161 A C 1.978 179.475 177.584 -0.145 0.000 1.191 161 A CA 2.240 54.223 52.037 -0.091 0.000 0.623 161 A CB -0.973 18.026 19.000 -0.001 0.000 0.826 161 A HN 0.610 8.760 8.150 -0.000 0.000 0.444 162 N N -0.684 117.968 118.700 -0.081 0.000 2.142 162 N HA -0.117 4.622 4.740 -0.001 0.000 0.186 162 N C 1.738 177.159 175.510 -0.148 0.000 1.023 162 N CA 1.559 54.562 53.050 -0.078 0.000 0.852 162 N CB -0.336 38.143 38.487 -0.014 0.000 0.998 162 N HN 0.468 8.848 8.380 -0.000 0.000 0.424 163 M N 0.076 119.544 119.600 -0.220 0.000 2.117 163 M HA -0.066 4.414 4.480 -0.001 0.000 0.262 163 M C 1.458 177.457 176.300 -0.501 0.000 1.065 163 M CA 1.490 56.538 55.300 -0.421 0.000 1.114 163 M CB -0.277 31.953 32.600 -0.616 0.000 1.361 163 M HN 0.172 8.462 8.290 -0.000 0.000 0.408 164 M N -0.071 119.203 119.600 -0.543 0.000 2.213 164 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 164 M C 2.094 178.218 176.300 -0.294 0.000 1.062 164 M CA 1.312 56.318 55.300 -0.491 0.000 1.105 164 M CB -1.175 31.056 32.600 -0.615 0.000 1.385 164 M HN 0.292 8.582 8.290 -0.000 0.000 0.417 165 S N 0.921 116.482 115.700 -0.232 0.000 2.382 165 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 165 S C 1.885 176.415 174.600 -0.116 0.000 1.027 165 S CA 1.087 59.201 58.200 -0.144 0.000 0.991 165 S CB -0.338 62.797 63.200 -0.107 0.000 0.823 165 S HN 0.449 8.759 8.310 -0.000 0.000 0.469 166 I N 1.244 121.739 120.570 -0.126 0.000 2.439 166 I HA -0.083 4.086 4.170 -0.001 0.000 0.251 166 I C 2.469 178.553 176.117 -0.054 0.000 1.139 166 I CA 0.928 62.191 61.300 -0.062 0.000 1.438 166 I CB -0.208 37.794 38.000 0.004 0.000 1.085 166 I HN 0.176 8.386 8.210 -0.000 0.000 0.427 167 K N 2.236 122.560 120.400 -0.128 0.000 2.097 167 K HA -0.181 4.138 4.320 -0.001 0.000 0.205 167 K C 2.105 178.666 176.600 -0.064 0.000 1.050 167 K CA 1.288 57.516 56.287 -0.098 0.000 0.938 167 K CB 0.025 32.415 32.500 -0.184 0.000 0.718 167 K HN 0.355 8.605 8.250 -0.000 0.000 0.442 168 K N 0.258 120.612 120.400 -0.077 0.000 2.442 168 K HA -0.074 4.245 4.320 -0.001 0.000 0.198 168 K C -0.118 176.460 176.600 -0.036 0.000 1.042 168 K CA 0.846 57.099 56.287 -0.056 0.000 0.958 168 K CB 0.108 32.570 32.500 -0.062 0.000 0.766 168 K HN 0.129 8.379 8.250 -0.000 0.000 0.474 174 E N 0.153 120.350 120.200 -0.005 0.000 2.613 174 E HA -0.129 4.220 4.350 -0.001 0.000 0.161 174 E C -0.507 176.092 176.600 -0.002 0.000 1.664 174 E CA 1.044 57.441 56.400 -0.006 0.000 0.661 174 E CB -1.980 27.714 29.700 -0.009 0.000 1.098 174 E HN 0.758 9.118 8.360 -0.000 0.000 0.364 175 V N 1.092 121.008 119.914 0.003 0.000 2.850 175 V HA 0.584 4.704 4.120 -0.001 0.000 0.315 175 V C 0.606 176.706 176.094 0.010 0.000 1.064 175 V CA -0.736 61.571 62.300 0.012 0.000 0.979 175 V CB 2.283 34.117 31.823 0.019 0.000 1.039 175 V HN 0.272 8.461 8.190 -0.000 0.000 0.452 176 K N 0.921 121.330 120.400 0.015 0.000 2.185 176 K HA 0.746 5.066 4.320 -0.001 0.000 0.240 176 K C 0.794 177.415 176.600 0.034 0.000 0.983 176 K CA 0.398 56.694 56.287 0.015 0.000 0.873 176 K CB 1.230 33.727 32.500 -0.006 0.000 1.118 176 K HN 0.916 9.166 8.250 -0.000 0.000 0.441 177 G N 1.070 109.891 108.800 0.034 0.000 2.253 177 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.251 177 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.251 177 G C -0.114 174.755 174.900 -0.051 0.000 0.998 177 G CA 0.213 45.336 45.100 0.038 0.000 0.621 177 G HN 0.397 8.687 8.290 -0.000 0.000 0.524 178 I N 1.934 122.473 120.570 -0.053 0.000 2.379 178 I HA 0.455 4.624 4.170 -0.001 0.000 0.290 178 I C -0.165 175.863 176.117 -0.148 0.000 1.063 178 I CA -0.211 61.018 61.300 -0.119 0.000 1.351 178 I CB 0.951 38.922 38.000 -0.048 0.000 1.410 178 I HN 0.067 8.277 8.210 -0.000 0.000 0.505 179 D N 5.559 125.714 120.400 -0.409 0.000 2.523 179 D HA 0.558 5.198 4.640 -0.001 0.000 0.236 179 D C -1.252 174.863 176.300 -0.309 0.000 1.094 179 D CA -0.242 53.578 54.000 -0.300 0.000 0.942 179 D CB 2.360 42.919 40.800 -0.402 0.000 1.447 179 D HN 0.059 8.429 8.370 -0.000 0.000 0.479 180 F N -0.216 119.773 119.950 0.064 0.000 2.579 180 F HA 0.474 5.001 4.527 -0.001 0.000 0.324 180 F C 0.903 176.910 175.800 0.345 0.000 1.058 180 F CA -0.414 57.728 58.000 0.237 0.000 0.944 180 F CB 2.099 41.183 39.000 0.140 0.000 1.245 180 F HN 0.122 8.422 8.300 -0.000 0.000 0.477 181 T N -2.637 112.219 114.554 0.503 0.000 2.927 181 T HA 0.722 5.071 4.350 -0.001 0.000 0.286 181 T C -0.524 174.391 174.700 0.358 0.000 1.040 181 T CA -0.847 61.457 62.100 0.339 0.000 1.010 181 T CB 1.537 70.503 68.868 0.163 0.000 1.177 181 T HN 0.612 8.852 8.240 -0.000 0.000 0.546 182 T N -0.802 113.883 114.554 0.219 0.000 2.794 182 T HA 0.592 4.941 4.350 -0.001 0.000 0.280 182 T C -0.260 174.444 174.700 0.008 0.000 0.987 182 T CA -0.793 61.381 62.100 0.123 0.000 0.993 182 T CB 1.200 70.134 68.868 0.110 0.000 0.939 182 T HN 0.475 8.715 8.240 -0.000 0.000 0.449 183 S N 4.654 120.295 115.700 -0.098 0.000 2.457 183 S HA 0.389 4.858 4.470 -0.001 0.000 0.216 183 S C -2.472 172.047 174.600 -0.135 0.000 1.392 183 S CA -1.003 57.142 58.200 -0.091 0.000 1.102 183 S CB 0.016 63.171 63.200 -0.074 0.000 1.114 183 S HN 0.604 8.914 8.310 -0.000 0.000 0.484 184 P HA 0.238 4.658 4.420 -0.000 0.000 0.268 184 P C -0.374 176.878 177.300 -0.080 0.000 1.205 184 P CA -0.086 62.961 63.100 -0.089 0.000 0.771 184 P CB 0.424 32.102 31.700 -0.036 0.000 0.858 185 N N 1.491 120.132 118.700 -0.098 0.000 2.367 185 N HA 0.507 5.247 4.740 -0.001 0.000 0.278 185 N C -1.546 173.894 175.510 -0.115 0.000 1.117 185 N CA -0.768 52.229 53.050 -0.088 0.000 0.867 185 N CB 1.364 39.793 38.487 -0.096 0.000 1.649 185 N HN 0.030 8.410 8.380 -0.000 0.000 0.479 186 R N 1.431 121.863 120.500 -0.114 0.000 2.409 186 R HA 0.524 4.863 4.340 -0.001 0.000 0.313 186 R C -1.257 174.842 176.300 -0.336 0.000 0.953 186 R CA -0.486 55.465 56.100 -0.249 0.000 0.849 186 R CB 1.152 31.314 30.300 -0.230 0.000 1.171 186 R HN 0.432 8.702 8.270 -0.000 0.000 0.458 187 S N 3.972 119.437 115.700 -0.392 0.000 2.475 187 S HA 0.366 4.835 4.470 -0.001 0.000 0.281 187 S C -1.116 173.204 174.600 -0.467 0.000 1.198 187 S CA -0.330 57.692 58.200 -0.298 0.000 1.063 187 S CB 0.245 63.331 63.200 -0.190 0.000 0.972 187 S HN 0.564 8.874 8.310 -0.000 0.000 0.486 188 Y N 5.573 125.833 120.300 -0.066 0.000 2.915 188 Y HA 0.335 4.885 4.550 -0.001 0.000 0.350 188 Y C -1.740 174.109 175.900 -0.084 0.000 1.061 188 Y CA -1.824 56.232 58.100 -0.074 0.000 1.179 188 Y CB 0.785 39.223 38.460 -0.037 0.000 1.180 188 Y HN 0.575 8.855 8.280 -0.000 0.000 0.605 189 P HA -0.206 4.214 4.420 -0.000 0.000 0.217 189 P C 0.472 177.746 177.300 -0.043 0.000 1.151 189 P CA 1.661 64.731 63.100 -0.050 0.000 0.849 189 P CB 0.291 31.931 31.700 -0.099 0.000 0.787 190 N N -1.645 117.001 118.700 -0.090 0.000 2.398 190 N HA 0.049 4.788 4.740 -0.001 0.000 0.188 190 N C 1.465 177.018 175.510 0.071 0.000 1.122 190 N CA 0.774 53.790 53.050 -0.057 0.000 0.866 190 N CB 0.137 38.470 38.487 -0.256 0.000 0.970 190 N HN 0.158 8.538 8.380 -0.000 0.000 0.462 191 G N 2.234 111.081 108.800 0.078 0.000 3.274 191 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.313 191 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.313 191 G C 0.030 174.986 174.900 0.094 0.000 1.295 191 G CA 0.252 45.401 45.100 0.081 0.000 1.004 191 G HN 0.472 8.762 8.290 -0.000 0.000 0.614 192 Q N 0.606 120.471 119.800 0.108 0.000 2.456 192 Q HA 0.610 4.949 4.340 -0.001 0.000 0.234 192 Q C -1.547 174.565 176.000 0.188 0.000 1.061 192 Q CA -0.596 55.267 55.803 0.101 0.000 0.896 192 Q CB -0.128 28.643 28.738 0.056 0.000 1.233 192 Q HN 0.544 8.814 8.270 -0.000 0.000 0.506 193 F N 3.243 123.198 119.950 0.009 0.000 3.034 193 F HA 0.419 4.945 4.527 -0.001 0.000 0.371 193 F C -0.061 175.766 175.800 0.045 0.000 1.233 193 F CA -0.020 57.999 58.000 0.032 0.000 1.134 193 F CB 0.854 39.884 39.000 0.049 0.000 1.495 193 F HN 0.655 8.955 8.300 -0.000 0.000 0.563 194 A N 3.108 125.840 122.820 -0.147 0.000 2.596 194 A HA -0.267 4.053 4.320 -0.001 0.000 0.300 194 A C 1.524 179.161 177.584 0.088 0.000 1.495 194 A CA 1.196 53.205 52.037 -0.046 0.000 0.769 194 A CB -2.121 16.852 19.000 -0.044 0.000 1.047 194 A HN 0.801 8.951 8.150 -0.000 0.000 0.436 195 S N 0.078 115.808 115.700 0.049 0.000 2.370 195 S HA -0.204 4.265 4.470 -0.001 0.000 0.226 195 S C 2.360 176.969 174.600 0.014 0.000 1.033 195 S CA 1.906 60.118 58.200 0.019 0.000 1.011 195 S CB -0.321 62.868 63.200 -0.018 0.000 0.852 195 S HN 1.643 9.953 8.310 -0.000 0.000 0.457 196 S N 0.932 116.658 115.700 0.043 0.000 2.387 196 S HA -0.000 4.469 4.470 -0.001 0.000 0.226 196 S C 1.656 176.332 174.600 0.127 0.000 1.026 196 S CA 0.508 58.741 58.200 0.056 0.000 0.972 196 S CB -0.665 62.563 63.200 0.047 0.000 0.814 196 S HN 0.389 8.699 8.310 -0.000 0.000 0.477 197 F N 2.838 122.777 119.950 -0.018 0.000 2.102 197 F HA 0.065 4.591 4.527 -0.001 0.000 0.298 197 F C 2.003 177.813 175.800 0.017 0.000 1.105 197 F CA 0.631 58.628 58.000 -0.004 0.000 1.239 197 F CB -0.404 38.589 39.000 -0.012 0.000 0.991 197 F HN 0.114 8.414 8.300 -0.000 0.000 0.474 198 I N -0.066 120.541 120.570 0.061 0.000 2.286 198 I HA 0.043 4.212 4.170 -0.001 0.000 0.245 198 I C 1.795 177.902 176.117 -0.016 0.000 1.104 198 I CA 1.419 62.717 61.300 -0.004 0.000 1.397 198 I CB -1.992 36.081 38.000 0.121 0.000 1.072 198 I HN 0.282 8.492 8.210 -0.000 0.000 0.417 199 G N 1.334 110.124 108.800 -0.016 0.000 2.642 199 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.231 199 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.231 199 G C -0.615 174.248 174.900 -0.062 0.000 1.338 199 G CA -0.392 44.686 45.100 -0.036 0.000 0.883 199 G HN 0.257 8.547 8.290 -0.000 0.000 0.570 200 L N -0.116 121.094 121.223 -0.021 0.000 2.388 200 L HA 0.772 5.112 4.340 -0.001 0.000 0.264 200 L C 0.473 177.405 176.870 0.104 0.000 0.998 200 L CA -0.592 54.265 54.840 0.029 0.000 0.817 200 L CB 2.295 44.333 42.059 -0.035 0.000 1.338 200 L HN 1.335 9.565 8.230 -0.000 0.000 0.414 201 A N 2.589 125.528 122.820 0.198 0.000 2.303 201 A HA 0.753 5.072 4.320 -0.001 0.000 0.320 201 A C -0.855 176.791 177.584 0.104 0.000 1.192 201 A CA -0.458 51.643 52.037 0.106 0.000 0.821 201 A CB 1.055 20.094 19.000 0.065 0.000 1.188 201 A HN 0.738 8.888 8.150 -0.000 0.000 0.492 202 Q N 0.777 120.617 119.800 0.068 0.000 2.359 202 Q HA 0.513 4.852 4.340 -0.001 0.000 0.275 202 Q C -0.594 175.447 176.000 0.068 0.000 1.082 202 Q CA -1.166 54.677 55.803 0.067 0.000 0.849 202 Q CB 2.340 31.113 28.738 0.058 0.000 1.377 202 Q HN 0.770 9.040 8.270 -0.000 0.000 0.452 203 L N 2.181 123.438 121.223 0.057 0.000 2.628 203 L HA -0.038 4.302 4.340 -0.001 0.000 0.274 203 L C -0.787 176.147 176.870 0.106 0.000 1.209 203 L CA 0.893 55.766 54.840 0.055 0.000 0.930 203 L CB -0.040 42.034 42.059 0.025 0.000 1.183 203 L HN 0.560 8.790 8.230 -0.000 0.000 0.492 204 H N 5.378 124.450 119.070 0.002 0.000 2.609 204 H HA 0.284 4.839 4.556 -0.001 0.000 0.344 204 H C -1.212 174.120 175.328 0.006 0.000 1.040 204 H CA -0.865 55.186 56.048 0.004 0.000 1.216 204 H CB 1.370 31.135 29.762 0.006 0.000 1.529 204 H HN 0.794 9.074 8.280 -0.000 0.000 0.519 205 E N 4.764 124.639 120.200 -0.542 0.000 2.152 205 E HA 0.088 4.437 4.350 -0.001 0.000 0.285 205 E C -0.527 175.747 176.600 -0.543 0.000 1.043 205 E CA -0.760 55.402 56.400 -0.397 0.000 0.839 205 E CB 0.529 30.085 29.700 -0.239 0.000 1.069 205 E HN 0.573 8.933 8.360 -0.000 0.000 0.399 206 N N 2.927 121.481 118.700 -0.242 0.000 2.347 206 N HA -0.007 4.732 4.740 -0.001 0.000 0.253 206 N C 0.878 176.352 175.510 -0.060 0.000 1.274 206 N CA -0.173 52.819 53.050 -0.097 0.000 0.941 206 N CB 0.467 38.961 38.487 0.012 0.000 1.200 206 N HN 0.551 8.931 8.380 -0.000 0.000 0.514 207 E N 0.162 120.359 120.200 -0.005 0.000 2.058 207 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 207 E C 0.355 176.953 176.600 -0.005 0.000 0.997 207 E CA 1.443 57.843 56.400 -0.000 0.000 0.801 207 E CB -0.108 29.603 29.700 0.019 0.000 0.746 207 E HN 0.610 8.970 8.360 -0.000 0.000 0.450 208 D N -0.834 119.569 120.400 0.005 0.000 2.352 208 D HA -0.001 4.638 4.640 -0.001 0.000 0.232 208 D C 1.217 177.517 176.300 -0.001 0.000 1.055 208 D CA 0.813 54.818 54.000 0.009 0.000 0.891 208 D CB 0.128 40.943 40.800 0.025 0.000 0.897 208 D HN 0.281 8.651 8.370 -0.000 0.000 0.529 209 G N 0.141 108.930 108.800 -0.019 0.000 2.205 209 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.261 209 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.261 209 G C 0.428 175.314 174.900 -0.024 0.000 0.980 209 G CA 0.516 45.597 45.100 -0.031 0.000 0.632 209 G HN 0.862 9.152 8.290 -0.000 0.000 0.533 210 S N -0.254 115.445 115.700 -0.001 0.000 2.592 210 S HA 0.686 5.155 4.470 -0.001 0.000 0.271 210 S C -0.034 174.567 174.600 0.002 0.000 1.326 210 S CA -0.042 58.171 58.200 0.021 0.000 1.024 210 S CB 1.786 65.020 63.200 0.056 0.000 0.921 210 S HN 0.504 8.814 8.310 -0.000 0.000 0.527 211 K N 1.268 121.677 120.400 0.016 0.000 2.259 211 K HA 0.678 4.997 4.320 -0.001 0.000 0.252 211 K C -0.681 175.938 176.600 0.032 0.000 0.936 211 K CA -0.628 55.660 56.287 0.001 0.000 0.810 211 K CB 2.022 34.514 32.500 -0.012 0.000 1.143 211 K HN 0.865 9.115 8.250 -0.000 0.000 0.427 212 S N 1.226 116.954 115.700 0.047 0.000 2.671 212 S HA 0.505 4.974 4.470 -0.001 0.000 0.277 212 S C -0.725 173.912 174.600 0.062 0.000 1.165 212 S CA -1.111 57.121 58.200 0.054 0.000 0.822 212 S CB 0.584 63.825 63.200 0.070 0.000 1.150 212 S HN 0.378 8.688 8.310 -0.000 0.000 0.479 213 L N 1.048 122.291 121.223 0.033 0.000 2.371 213 L HA 0.640 4.979 4.340 -0.001 0.000 0.272 213 L C -0.886 176.003 176.870 0.032 0.000 1.124 213 L CA -0.625 54.230 54.840 0.025 0.000 0.816 213 L CB 0.941 42.992 42.059 -0.014 0.000 1.129 213 L HN 0.586 8.816 8.230 -0.000 0.000 0.448 214 L N 1.708 122.948 121.223 0.029 0.000 2.431 214 L HA 0.635 4.975 4.340 -0.001 0.000 0.266 214 L C 0.016 176.878 176.870 -0.013 0.000 0.978 214 L CA -0.024 54.808 54.840 -0.015 0.000 0.822 214 L CB 2.021 44.031 42.059 -0.082 0.000 1.310 214 L HN 0.516 8.746 8.230 -0.000 0.000 0.409 215 G N 1.148 109.934 108.800 -0.024 0.000 2.361 215 G HA2 0.410 4.369 3.960 -0.001 0.000 0.260 215 G HA3 0.410 4.369 3.960 -0.001 0.000 0.260 215 G C 0.491 175.375 174.900 -0.025 0.000 1.261 215 G CA 0.443 45.534 45.100 -0.014 0.000 0.897 215 G HN 0.847 9.137 8.290 -0.000 0.000 0.499 216 T N -1.933 112.615 114.554 -0.011 0.000 3.004 216 T HA 0.445 4.795 4.350 -0.001 0.000 0.266 216 T C 0.691 175.383 174.700 -0.013 0.000 0.986 216 T CA 0.519 62.609 62.100 -0.016 0.000 0.902 216 T CB 0.090 68.954 68.868 -0.007 0.000 1.118 216 T HN 1.235 9.475 8.240 -0.000 0.000 0.522 217 S N -0.885 114.808 115.700 -0.012 0.000 2.611 217 S HA 0.664 5.133 4.470 -0.001 0.000 0.270 217 S C 0.388 174.976 174.600 -0.019 0.000 1.131 217 S CA -0.335 57.858 58.200 -0.013 0.000 0.826 217 S CB 0.964 64.158 63.200 -0.011 0.000 1.095 217 S HN 1.482 9.792 8.310 -0.000 0.000 0.461 218 G N 1.545 110.332 108.800 -0.021 0.000 2.575 218 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.267 218 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.267 218 G C 0.730 175.574 174.900 -0.092 0.000 1.264 218 G CA 0.458 45.528 45.100 -0.051 0.000 0.935 218 G HN 1.086 9.376 8.290 -0.000 0.000 0.568 219 M N -0.045 119.454 119.600 -0.167 0.000 2.144 219 M HA -0.105 4.374 4.480 -0.001 0.000 0.260 219 M C 2.498 178.751 176.300 -0.079 0.000 1.067 219 M CA 2.245 57.447 55.300 -0.163 0.000 1.095 219 M CB -0.504 31.970 32.600 -0.210 0.000 1.365 219 M HN 0.637 8.927 8.290 -0.000 0.000 0.406 220 E N 0.326 120.500 120.200 -0.042 0.000 2.070 220 E HA -0.188 4.161 4.350 -0.001 0.000 0.197 220 E C 2.143 178.731 176.600 -0.020 0.000 1.004 220 E CA 2.092 58.486 56.400 -0.010 0.000 0.805 220 E CB -0.280 29.440 29.700 0.033 0.000 0.744 220 E HN 0.613 8.973 8.360 -0.000 0.000 0.451 221 S N -0.285 115.400 115.700 -0.026 0.000 2.421 221 S HA 0.060 4.529 4.470 -0.001 0.000 0.224 221 S C 2.242 176.823 174.600 -0.031 0.000 1.035 221 S CA 0.571 58.754 58.200 -0.028 0.000 0.953 221 S CB 0.139 63.323 63.200 -0.026 0.000 0.810 221 S HN -0.031 8.279 8.310 -0.000 0.000 0.497 222 S N 1.806 117.484 115.700 -0.037 0.000 2.382 222 S HA 0.223 4.692 4.470 -0.001 0.000 0.228 222 S C 1.240 175.820 174.600 -0.034 0.000 1.027 222 S CA 0.925 59.104 58.200 -0.036 0.000 0.991 222 S CB -0.384 62.789 63.200 -0.045 0.000 0.823 222 S HN 0.487 8.797 8.310 -0.000 0.000 0.469 223 L N 1.595 122.794 121.223 -0.039 0.000 2.848 223 L HA 0.272 4.611 4.340 -0.001 0.000 0.240 223 L C 1.460 178.314 176.870 -0.025 0.000 1.232 223 L CA -0.229 54.593 54.840 -0.031 0.000 1.031 223 L CB -0.399 41.638 42.059 -0.037 0.000 1.338 223 L HN 0.185 8.415 8.230 -0.000 0.000 0.509 224 N N 0.640 119.325 118.700 -0.025 0.000 2.043 224 N HA -0.201 4.539 4.740 -0.001 0.000 0.193 224 N C 1.894 177.392 175.510 -0.019 0.000 1.037 224 N CA 1.980 55.016 53.050 -0.024 0.000 0.851 224 N CB 0.167 38.636 38.487 -0.029 0.000 1.027 224 N HN 0.190 8.570 8.380 -0.000 0.000 0.422 225 S N 0.403 116.093 115.700 -0.016 0.000 2.380 225 S HA -0.239 4.231 4.470 -0.001 0.000 0.229 225 S C 2.020 176.615 174.600 -0.008 0.000 1.050 225 S CA 1.737 59.931 58.200 -0.011 0.000 1.100 225 S CB -0.755 62.440 63.200 -0.008 0.000 0.984 225 S HN 0.373 8.683 8.310 -0.000 0.000 0.434 226 I N 1.363 121.928 120.570 -0.009 0.000 2.099 226 I HA -0.204 3.965 4.170 -0.001 0.000 0.239 226 I C 2.186 178.299 176.117 -0.007 0.000 1.066 226 I CA 1.381 62.678 61.300 -0.006 0.000 1.324 226 I CB -0.450 37.547 38.000 -0.005 0.000 1.037 226 I HN 0.188 8.398 8.210 -0.000 0.000 0.401 227 L N 0.191 121.406 121.223 -0.013 0.000 2.362 227 L HA -0.102 4.237 4.340 -0.001 0.000 0.219 227 L C 2.577 179.435 176.870 -0.020 0.000 1.134 227 L CA 0.816 55.644 54.840 -0.019 0.000 0.807 227 L CB -0.568 41.474 42.059 -0.028 0.000 0.927 227 L HN 0.251 8.481 8.230 -0.000 0.000 0.447 228 A N -0.294 122.517 122.820 -0.015 0.000 1.975 228 A HA 0.334 4.653 4.320 -0.001 0.000 0.215 228 A C 1.553 179.134 177.584 -0.005 0.000 1.170 228 A CA 0.863 52.893 52.037 -0.011 0.000 0.656 228 A CB -0.535 18.460 19.000 -0.008 0.000 0.821 228 A HN 0.426 8.576 8.150 -0.000 0.000 0.449 229 G N -1.580 107.219 108.800 -0.002 0.000 2.601 229 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.252 229 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.252 229 G C -0.114 174.791 174.900 0.009 0.000 1.294 229 G CA 0.034 45.136 45.100 0.004 0.000 0.912 229 G HN 1.126 9.416 8.290 -0.000 0.000 0.574 230 T N 0.931 115.493 114.554 0.013 0.000 2.886 230 T HA 0.561 4.911 4.350 -0.001 0.000 0.292 230 T C -1.128 173.586 174.700 0.023 0.000 1.012 230 T CA -0.646 61.465 62.100 0.018 0.000 0.982 230 T CB 1.925 70.802 68.868 0.016 0.000 1.018 230 T HN 0.590 8.830 8.240 -0.000 0.000 0.451 231 D N 1.841 122.258 120.400 0.029 0.000 2.304 231 D HA 0.462 5.102 4.640 -0.001 0.000 0.250 231 D C 0.684 177.004 176.300 0.033 0.000 1.107 231 D CA 0.087 54.108 54.000 0.036 0.000 0.885 231 D CB 1.548 42.375 40.800 0.044 0.000 1.192 231 D HN 0.664 9.034 8.370 -0.000 0.000 0.436 232 G N 0.000 108.820 108.800 0.033 0.000 5.446 232 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 232 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 232 G CA 0.000 45.117 45.100 0.029 0.000 0.502 232 G HN 0.000 8.290 8.290 -0.000 0.000 0.925