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 1mh6_1_A DATA FIRST_RESID 202 DATA SEQUENCE TDQATPNLPS RDFDSTAAFY ERLGFGIVFR DAGWMILQRG DLMLEFFAHP DATA SEQUENCE GLDPLASWFS CCLRLDDLAE FYRQCKSVGI QETSSGYPRI HAPELQEWGG DATA SEQUENCE TMAALVDPDG TLLRLIQNEL LAGIS 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 202 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 202 T C 0.000 174.698 174.700 -0.003 0.000 1.109 202 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 202 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 203 D N 4.943 125.340 120.400 -0.004 0.000 2.380 203 D HA -0.082 4.555 4.640 -0.005 0.000 0.270 203 D C -0.860 175.437 176.300 -0.005 0.000 1.363 203 D CA 0.950 54.947 54.000 -0.005 0.000 1.057 203 D CB -0.358 40.438 40.800 -0.006 0.000 1.096 203 D HN 0.152 8.520 8.370 -0.004 0.000 0.524 204 Q N 1.643 121.441 119.800 -0.003 0.000 2.310 204 Q HA 0.282 4.619 4.340 -0.006 0.000 0.270 204 Q C -1.007 174.993 176.000 0.000 0.000 1.025 204 Q CA -1.006 54.795 55.803 -0.003 0.000 0.772 204 Q CB 1.833 30.570 28.738 -0.001 0.000 1.253 204 Q HN -0.347 7.921 8.270 -0.002 0.000 0.450 205 A N 5.661 128.480 122.820 -0.003 0.000 2.302 205 A HA 0.360 4.684 4.320 0.008 0.000 0.295 205 A C -0.476 177.110 177.584 0.002 0.000 1.235 205 A CA -0.184 51.854 52.037 0.001 0.000 0.876 205 A CB 0.041 19.038 19.000 -0.004 0.000 1.133 205 A HN 0.456 8.601 8.150 -0.008 0.000 0.533 206 T N 2.410 116.972 114.554 0.014 0.000 2.829 206 T HA 0.387 4.733 4.350 -0.005 0.000 0.280 206 T C -1.788 172.915 174.700 0.005 0.000 0.999 206 T CA -3.376 58.729 62.100 0.008 0.000 0.983 206 T CB 1.128 70.008 68.868 0.020 0.000 0.968 206 T HN -0.111 8.143 8.240 0.024 0.000 0.446 207 P HA 0.177 4.597 4.420 0.001 0.000 0.280 207 P C -1.831 175.406 177.300 -0.106 0.000 1.244 207 P CA -0.446 62.624 63.100 -0.050 0.000 0.784 207 P CB 1.454 33.105 31.700 -0.082 0.000 0.913 208 N N 2.014 120.705 118.700 -0.014 0.000 2.621 208 N HA 0.303 5.111 4.740 -0.213 -0.196 0.237 208 N C -1.086 174.475 175.510 0.086 0.000 0.997 208 N CA -1.032 52.023 53.050 0.007 0.000 0.918 208 N CB 1.469 40.113 38.487 0.262 0.000 1.122 208 N HN 0.151 8.564 8.380 0.056 0.000 0.510 209 L N 2.322 123.360 121.223 -0.307 0.000 2.334 209 L HA 0.596 4.852 4.340 -0.140 0.000 0.270 209 L C -2.067 174.421 176.870 -0.637 0.000 1.018 209 L CA -3.788 50.811 54.840 -0.400 0.000 0.811 209 L CB 1.254 42.917 42.059 -0.661 0.000 1.271 209 L HN 0.089 7.951 8.230 -0.613 0.000 0.443 210 P HA 0.488 4.107 4.420 -1.582 -0.148 0.286 210 P C -1.387 175.763 177.300 -0.250 0.000 1.269 210 P CA -1.067 61.462 63.100 -0.951 0.000 0.787 210 P CB 0.510 31.591 31.700 -1.033 0.000 0.920 211 S N 2.866 118.496 115.700 -0.116 0.000 2.557 211 S HA 0.297 4.819 4.470 -0.158 -0.147 0.291 211 S C 0.602 175.168 174.600 -0.056 0.000 1.116 211 S CA -2.424 55.731 58.200 -0.074 0.000 0.992 211 S CB 2.327 65.468 63.200 -0.099 0.000 1.028 211 S HN 0.327 8.537 8.310 -0.167 0.000 0.484 212 R N 6.275 126.717 120.500 -0.098 0.000 2.052 212 R HA -0.056 4.365 4.340 -0.080 -0.129 0.226 212 R C 0.319 176.561 176.300 -0.097 0.000 1.145 212 R CA 2.425 58.471 56.100 -0.090 0.000 0.952 212 R CB 0.556 30.805 30.300 -0.086 0.000 0.847 212 R HN -0.156 8.233 8.270 -0.131 -0.197 0.431 213 D N -2.714 117.652 120.400 -0.057 0.000 2.217 213 D HA 0.057 4.658 4.640 -0.065 0.000 0.243 213 D C -0.055 176.314 176.300 0.114 0.000 1.054 213 D CA -1.584 52.404 54.000 -0.020 0.000 0.838 213 D CB 1.293 42.080 40.800 -0.020 0.000 1.162 213 D HN -0.063 8.271 8.370 -0.059 0.000 0.472 214 F N 4.049 123.953 119.950 -0.078 0.000 2.661 214 F HA 0.028 4.471 4.527 -0.140 0.000 0.298 214 F C 0.531 176.291 175.800 -0.066 0.000 1.137 214 F CA -0.913 57.037 58.000 -0.084 0.000 1.454 214 F CB -0.122 38.856 39.000 -0.036 0.000 1.103 214 F HN 0.444 8.819 8.300 0.124 0.000 0.577 215 D N -0.379 120.086 120.400 0.109 0.000 2.149 215 D HA -0.122 4.538 4.640 0.035 0.000 0.206 215 D C 1.787 178.095 176.300 0.014 0.000 0.967 215 D CA 3.371 57.397 54.000 0.043 0.000 0.848 215 D CB 0.178 40.998 40.800 0.033 0.000 0.998 215 D HN -0.482 8.204 8.370 0.106 -0.253 0.474 216 S N 0.992 116.694 115.700 0.003 0.000 2.353 216 S HA -0.282 4.184 4.470 -0.006 0.000 0.222 216 S C 2.043 176.623 174.600 -0.032 0.000 1.035 216 S CA 3.627 61.818 58.200 -0.017 0.000 1.025 216 S CB -0.048 63.133 63.200 -0.032 0.000 0.902 216 S HN -0.092 8.553 8.310 0.011 -0.328 0.440 217 T N 3.908 118.413 114.554 -0.082 0.000 2.788 217 T HA -0.434 3.845 4.350 -0.118 0.000 0.268 217 T C 1.438 176.107 174.700 -0.051 0.000 1.044 217 T CA 4.858 66.870 62.100 -0.147 0.000 1.139 217 T CB -0.297 68.333 68.868 -0.397 0.000 0.867 217 T HN -0.489 7.710 8.240 -0.068 0.000 0.454 218 A N 1.453 124.231 122.820 -0.068 0.000 1.851 218 A HA -0.258 4.061 4.320 -0.000 0.000 0.216 218 A C 1.637 179.230 177.584 0.016 0.000 1.195 218 A CA 2.798 54.825 52.037 -0.017 0.000 0.622 218 A CB -0.963 18.014 19.000 -0.038 0.000 0.831 218 A HN -0.043 8.065 8.150 -0.069 0.000 0.444 219 A N -1.733 121.091 122.820 0.006 0.000 2.084 219 A HA -0.227 4.257 4.320 -0.015 -0.173 0.221 219 A C 1.566 179.138 177.584 -0.020 0.000 1.161 219 A CA 2.438 54.473 52.037 -0.004 0.000 0.653 219 A CB -0.812 18.189 19.000 0.000 0.000 0.802 219 A HN 0.007 8.158 8.150 0.002 0.000 0.457 220 F N 0.505 120.352 119.950 -0.171 0.000 2.051 220 F HA -0.439 3.941 4.527 -0.246 0.000 0.296 220 F C 1.942 177.525 175.800 -0.362 0.000 1.122 220 F CA 4.403 62.221 58.000 -0.302 0.000 1.201 220 F CB 0.283 39.032 39.000 -0.419 0.000 0.978 220 F HN -0.687 7.518 8.300 0.084 0.146 0.472 221 Y N -2.910 117.256 120.300 -0.225 0.000 2.286 221 Y HA -0.404 3.805 4.550 -0.569 0.000 0.293 221 Y C 2.230 178.008 175.900 -0.202 0.000 1.124 221 Y CA 2.994 60.833 58.100 -0.434 0.000 1.178 221 Y CB -0.277 37.787 38.460 -0.660 0.000 1.010 221 Y HN -0.546 7.749 8.280 0.025 0.000 0.536 222 E N 0.594 120.826 120.200 0.054 0.000 2.132 222 E HA -0.509 4.145 4.350 0.164 -0.205 0.218 222 E C 2.381 179.008 176.600 0.046 0.000 1.058 222 E CA 3.646 60.095 56.400 0.082 0.000 0.882 222 E CB -0.455 29.266 29.700 0.035 0.000 0.774 222 E HN 0.116 8.496 8.360 0.032 0.000 0.467 223 R N -3.225 117.245 120.500 -0.049 0.000 2.159 223 R HA -0.253 4.053 4.340 -0.056 0.000 0.237 223 R C 1.511 177.755 176.300 -0.094 0.000 1.131 223 R CA 1.904 57.953 56.100 -0.085 0.000 0.982 223 R CB -0.303 29.907 30.300 -0.149 0.000 0.868 223 R HN 0.138 8.371 8.270 -0.062 0.000 0.453 224 L N -3.429 117.742 121.223 -0.086 0.000 2.711 224 L HA -0.127 4.084 4.340 -0.216 0.000 0.242 224 L C -0.187 176.719 176.870 0.061 0.000 1.153 224 L CA 0.052 54.845 54.840 -0.078 0.000 0.898 224 L CB -0.624 41.365 42.059 -0.116 0.000 1.044 224 L HN -0.468 7.562 8.230 -0.054 0.168 0.437 225 G N -2.684 106.166 108.800 0.083 0.000 2.149 225 G HA2 -0.429 3.549 3.960 0.030 0.000 0.235 225 G HA3 -0.429 3.511 3.960 -0.033 0.000 0.235 225 G C -1.071 173.869 174.900 0.066 0.000 1.018 225 G CA 0.225 45.349 45.100 0.041 0.000 0.728 225 G HN -0.019 8.220 8.290 0.080 0.099 0.508 226 F N 1.086 121.056 119.950 0.034 0.000 2.335 226 F HA 0.051 4.736 4.527 0.062 -0.121 0.365 226 F C -0.090 175.735 175.800 0.042 0.000 1.122 226 F CA -1.643 56.394 58.000 0.061 0.000 1.151 226 F CB -0.595 38.473 39.000 0.112 0.000 1.282 226 F HN -0.877 7.679 8.300 0.427 0.000 0.513 227 G N 3.860 112.754 108.800 0.157 0.000 2.378 227 G HA2 0.054 4.068 3.960 0.091 0.000 0.255 227 G HA3 0.054 4.059 3.960 0.075 0.000 0.255 227 G C -1.050 173.916 174.900 0.110 0.000 1.270 227 G CA -0.756 44.408 45.100 0.106 0.000 0.876 227 G HN 0.362 8.626 8.290 0.104 0.088 0.521 228 I N 5.902 126.521 120.570 0.082 0.000 2.278 228 I HA -0.028 4.345 4.170 0.069 -0.161 0.300 228 I C 0.964 177.122 176.117 0.069 0.000 1.174 228 I CA 0.384 61.721 61.300 0.062 0.000 1.347 228 I CB -1.331 36.687 38.000 0.029 0.000 1.473 228 I HN 0.377 8.631 8.210 0.072 0.000 0.595 229 V N 3.536 123.512 119.914 0.102 0.000 2.649 229 V HA -0.029 4.152 4.120 0.101 0.000 0.248 229 V C -0.486 175.735 176.094 0.212 0.000 1.054 229 V CA 0.912 63.291 62.300 0.132 0.000 1.073 229 V CB 0.836 32.736 31.823 0.129 0.000 0.699 229 V HN -0.243 8.012 8.190 0.107 0.000 0.463 230 F N 1.688 121.678 119.950 0.066 0.000 2.556 230 F HA 0.250 4.830 4.527 0.089 0.000 0.314 230 F C -2.482 173.358 175.800 0.066 0.000 1.106 230 F CA -0.762 57.296 58.000 0.095 0.000 0.911 230 F CB 3.647 42.749 39.000 0.170 0.000 1.190 230 F HN -0.968 7.468 8.300 0.226 0.000 0.448 231 R N 7.688 127.946 120.500 -0.403 0.000 2.515 231 R HA 0.596 5.144 4.340 -0.032 -0.227 0.278 231 R C -2.054 174.064 176.300 -0.304 0.000 1.107 231 R CA -0.771 55.200 56.100 -0.214 0.000 0.945 231 R CB 2.856 33.100 30.300 -0.094 0.000 1.219 231 R HN 0.210 7.974 8.270 -0.844 0.000 0.434 232 D N 7.200 127.586 120.400 -0.024 0.000 2.482 232 D HA 0.277 4.907 4.640 -0.017 0.000 0.223 232 D C -0.547 175.896 176.300 0.238 0.000 1.262 232 D CA -0.127 53.924 54.000 0.084 0.000 1.125 232 D CB 1.930 42.814 40.800 0.139 0.000 1.196 232 D HN 0.178 8.671 8.370 0.204 0.000 0.594 233 A N -0.832 122.115 122.820 0.212 0.000 1.984 233 A HA 0.010 4.400 4.320 0.116 0.000 0.214 233 A C 0.570 178.260 177.584 0.176 0.000 1.173 233 A CA 1.103 53.231 52.037 0.152 0.000 0.673 233 A CB 0.356 19.394 19.000 0.064 0.000 0.830 233 A HN 0.360 8.637 8.150 0.211 0.000 0.453 234 G N -2.764 106.240 108.800 0.340 0.000 2.459 234 G HA2 -0.034 4.090 3.960 0.273 0.000 0.213 234 G HA3 -0.034 4.156 3.960 0.383 0.000 0.213 234 G C -1.604 173.796 174.900 0.833 0.000 1.155 234 G CA -0.214 45.148 45.100 0.438 0.000 0.811 234 G HN 0.036 9.030 8.290 0.342 -0.499 0.534 235 W N 0.849 122.502 121.300 0.587 0.000 2.736 235 W HA 0.700 5.811 4.660 0.474 -0.168 0.335 235 W C -2.480 174.194 176.519 0.257 0.000 1.059 235 W CA -1.733 55.896 57.345 0.473 0.000 1.226 235 W CB 4.108 33.797 29.460 0.382 0.000 1.416 235 W HN -0.142 8.865 8.180 0.819 -0.336 0.505 236 M N 6.990 126.384 119.600 -0.343 0.000 2.122 236 M HA 0.530 5.126 4.480 -0.138 -0.199 0.269 236 M C -2.567 173.560 176.300 -0.288 0.000 0.954 236 M CA -0.589 54.447 55.300 -0.438 0.000 0.998 236 M CB 3.259 35.146 32.600 -1.187 0.000 1.755 236 M HN 0.430 8.348 8.290 -0.619 0.000 0.459 237 I N 6.823 127.370 120.570 -0.038 0.000 2.301 237 I HA 0.144 4.411 4.170 -0.100 -0.157 0.292 237 I C -1.724 174.426 176.117 0.054 0.000 1.046 237 I CA -0.591 60.713 61.300 0.006 0.000 1.282 237 I CB 0.308 38.391 38.000 0.140 0.000 1.409 237 I HN 0.641 8.931 8.210 0.133 0.000 0.484 238 L N 6.902 128.167 121.223 0.069 0.000 2.280 238 L HA 0.400 4.980 4.340 0.157 -0.146 0.287 238 L C -1.595 175.458 176.870 0.305 0.000 1.023 238 L CA -1.340 53.601 54.840 0.168 0.000 0.819 238 L CB 0.960 43.088 42.059 0.114 0.000 1.212 238 L HN 0.457 8.702 8.230 0.025 0.000 0.420 239 Q N 4.362 124.316 119.800 0.257 0.000 2.303 239 Q HA 0.425 5.058 4.340 0.111 -0.227 0.267 239 Q C -1.749 174.212 176.000 -0.065 0.000 1.011 239 Q CA -1.464 54.404 55.803 0.108 0.000 0.740 239 Q CB 3.886 32.665 28.738 0.069 0.000 1.250 239 Q HN 0.460 8.747 8.270 0.202 0.104 0.458 240 R N 9.810 130.077 120.500 -0.390 0.000 2.565 240 R HA 0.256 4.570 4.340 -0.263 -0.132 0.286 240 R C 0.531 176.702 176.300 -0.215 0.000 1.256 240 R CA -0.854 54.990 56.100 -0.426 0.000 1.238 240 R CB -0.441 29.326 30.300 -0.890 0.000 1.153 240 R HN -0.064 7.949 8.270 -0.429 0.000 0.553 241 G N 8.606 117.341 108.800 -0.109 0.000 3.377 241 G HA2 -0.420 3.516 3.960 -0.039 0.000 0.304 241 G HA3 -0.420 3.504 3.960 -0.059 0.000 0.304 241 G C -0.300 174.574 174.900 -0.043 0.000 1.366 241 G CA 1.376 46.439 45.100 -0.061 0.000 1.020 241 G HN 0.240 8.476 8.290 -0.090 0.000 0.621 242 D N 4.050 124.424 120.400 -0.044 0.000 2.670 242 D HA 0.322 4.952 4.640 -0.016 0.000 0.255 242 D C -0.258 176.020 176.300 -0.036 0.000 1.286 242 D CA -0.605 53.378 54.000 -0.028 0.000 0.830 242 D CB 0.140 40.931 40.800 -0.015 0.000 1.065 242 D HN 0.002 8.338 8.370 -0.057 0.000 0.486 243 L N 1.920 123.096 121.223 -0.078 0.000 2.416 243 L HA 0.007 4.342 4.340 -0.007 0.000 0.243 243 L C -1.425 175.479 176.870 0.057 0.000 1.373 243 L CA -0.695 54.119 54.840 -0.043 0.000 1.227 243 L CB -1.865 40.097 42.059 -0.161 0.000 1.428 243 L HN -0.376 7.674 8.230 -0.123 0.106 0.425 244 M N 3.671 123.290 119.600 0.032 0.000 2.497 244 M HA -0.025 4.605 4.480 0.063 -0.112 0.336 244 M C -1.218 175.068 176.300 -0.024 0.000 1.378 244 M CA -0.447 54.872 55.300 0.032 0.000 1.375 244 M CB -0.405 32.209 32.600 0.023 0.000 1.337 244 M HN -0.234 7.969 8.290 0.008 0.092 0.461 245 L N 7.449 128.646 121.223 -0.042 0.000 2.282 245 L HA 0.196 4.325 4.340 -0.350 0.000 0.287 245 L C -0.825 175.824 176.870 -0.368 0.000 1.075 245 L CA -0.565 54.102 54.840 -0.288 0.000 0.839 245 L CB -0.390 41.450 42.059 -0.364 0.000 1.219 245 L HN 0.839 9.120 8.230 0.085 0.000 0.434 246 E N 3.463 123.391 120.200 -0.453 0.000 2.069 246 E HA 0.234 4.383 4.350 -0.535 -0.119 0.254 246 E C -0.709 175.330 176.600 -0.935 0.000 1.088 246 E CA -1.403 54.634 56.400 -0.604 0.000 1.017 246 E CB -0.256 29.265 29.700 -0.299 0.000 1.226 246 E HN 0.112 8.250 8.360 -0.369 0.000 0.458 247 F N 3.409 122.929 119.950 -0.716 0.000 2.495 247 F HA 0.058 4.525 4.527 -0.399 -0.180 0.365 247 F C 0.157 175.750 175.800 -0.346 0.000 1.090 247 F CA 1.211 58.910 58.000 -0.502 0.000 1.235 247 F CB 0.896 39.652 39.000 -0.407 0.000 1.119 247 F HN 0.237 8.319 8.300 -0.363 0.000 0.562 248 F N 1.104 121.086 119.950 0.052 0.000 2.397 248 F HA 0.867 5.872 4.527 0.465 -0.199 0.331 248 F C -1.079 174.955 175.800 0.389 0.000 1.090 248 F CA -3.705 54.482 58.000 0.311 0.000 1.065 248 F CB 1.680 40.859 39.000 0.298 0.000 1.184 248 F HN 0.779 9.002 8.300 -0.128 0.000 0.499 249 A N 2.122 125.199 122.820 0.429 0.000 2.545 249 A HA -0.067 4.287 4.320 -0.219 -0.165 0.297 249 A C -0.900 176.759 177.584 0.125 0.000 1.340 249 A CA -0.357 51.666 52.037 -0.024 0.000 1.016 249 A CB -0.550 18.260 19.000 -0.316 0.000 1.122 249 A HN 0.256 8.752 8.150 0.576 0.000 0.537 250 H N 8.493 127.531 119.070 -0.055 0.000 2.697 250 H HA 0.268 4.871 4.556 0.078 0.000 0.270 250 H C -1.404 173.886 175.328 -0.064 0.000 1.188 250 H CA -2.839 53.194 56.048 -0.024 0.000 1.322 250 H CB 0.829 30.518 29.762 -0.122 0.000 1.405 250 H HN 0.022 8.211 8.280 0.026 0.106 0.502 251 P HA -0.065 4.356 4.420 0.002 0.000 0.217 251 P C 0.157 177.508 177.300 0.085 0.000 1.151 251 P CA 0.795 63.933 63.100 0.063 0.000 0.828 251 P CB 0.505 32.220 31.700 0.024 0.000 0.788 252 G N 0.637 109.554 108.800 0.194 0.000 3.343 252 G HA2 0.048 4.047 3.960 0.065 0.000 0.264 252 G HA3 0.048 4.107 3.960 0.166 0.000 0.264 252 G C -1.721 173.209 174.900 0.050 0.000 0.884 252 G CA -0.645 44.538 45.100 0.137 0.000 1.916 252 G HN 0.049 8.544 8.290 0.342 0.000 0.618 253 L N 2.017 123.152 121.223 -0.147 0.000 2.341 253 L HA 0.268 4.423 4.340 -0.308 0.000 0.278 253 L C -1.597 175.182 176.870 -0.151 0.000 1.005 253 L CA -0.367 54.288 54.840 -0.308 0.000 0.818 253 L CB 3.447 45.163 42.059 -0.571 0.000 1.259 253 L HN -0.840 7.263 8.230 -0.092 0.072 0.418 254 D N 6.215 126.558 120.400 -0.095 0.000 2.277 254 D HA 0.242 4.830 4.640 -0.086 0.000 0.249 254 D C -0.880 175.331 176.300 -0.148 0.000 1.134 254 D CA -2.795 51.153 54.000 -0.087 0.000 0.863 254 D CB 1.568 42.350 40.800 -0.030 0.000 1.143 254 D HN 0.234 8.562 8.370 -0.071 0.000 0.458 255 P HA -0.074 4.237 4.420 -0.355 -0.105 0.218 255 P C 0.162 177.245 177.300 -0.362 0.000 1.149 255 P CA 1.084 63.900 63.100 -0.474 0.000 0.817 255 P CB 0.500 31.529 31.700 -1.118 0.000 0.785 256 L N -3.410 117.679 121.223 -0.223 0.000 2.044 256 L HA -0.158 4.121 4.340 -0.102 0.000 0.205 256 L C 1.320 178.139 176.870 -0.084 0.000 1.075 256 L CA 1.748 56.527 54.840 -0.102 0.000 0.747 256 L CB -0.352 41.700 42.059 -0.013 0.000 0.903 256 L HN -0.851 7.539 8.230 -0.179 -0.267 0.435 257 A N -1.677 121.113 122.820 -0.051 0.000 2.543 257 A HA 0.099 4.375 4.320 -0.073 0.000 0.258 257 A C -1.068 176.521 177.584 0.008 0.000 1.391 257 A CA -0.329 51.693 52.037 -0.026 0.000 1.066 257 A CB -0.851 18.168 19.000 0.032 0.000 0.972 257 A HN -0.498 7.979 8.150 -0.041 -0.351 0.560 258 S N -0.433 115.246 115.700 -0.035 0.000 2.434 258 S HA 0.057 4.666 4.470 0.232 0.000 0.318 258 S C 0.524 175.126 174.600 0.003 0.000 1.062 258 S CA -1.238 57.012 58.200 0.083 0.000 1.116 258 S CB 0.068 63.316 63.200 0.079 0.000 0.977 258 S HN -0.775 7.376 8.310 -0.086 0.108 0.480 259 W N 4.823 126.036 121.300 -0.145 0.000 2.825 259 W HA -0.089 4.504 4.660 -0.111 0.000 0.243 259 W C 0.104 176.501 176.519 -0.203 0.000 1.293 259 W CA 0.281 57.499 57.345 -0.212 0.000 1.403 259 W CB 0.171 29.448 29.460 -0.305 0.000 1.134 259 W HN 0.087 8.387 8.180 0.201 0.000 0.666 260 F N 0.506 120.571 119.950 0.191 0.000 2.495 260 F HA -0.196 4.417 4.527 0.143 0.000 0.365 260 F C -0.870 174.982 175.800 0.086 0.000 1.090 260 F CA 0.957 59.033 58.000 0.125 0.000 1.235 260 F CB 0.342 39.392 39.000 0.083 0.000 1.119 260 F HN -0.766 7.585 8.300 0.229 0.086 0.562 261 S N 2.516 118.355 115.700 0.232 0.000 2.552 261 S HA 0.219 4.830 4.470 0.139 -0.058 0.272 261 S C -1.621 173.032 174.600 0.088 0.000 1.150 261 S CA -0.959 57.325 58.200 0.139 0.000 0.849 261 S CB 3.438 66.707 63.200 0.114 0.000 1.113 261 S HN -0.020 8.445 8.310 0.257 0.000 0.458 262 C N -1.434 117.901 119.300 0.057 0.000 2.985 262 C HA 0.323 4.791 4.460 0.014 0.000 0.314 262 C C -0.829 174.166 174.990 0.009 0.000 1.215 262 C CA -1.319 57.710 59.018 0.019 0.000 1.414 262 C CB 3.068 30.800 27.740 -0.013 0.000 1.842 262 C HN -0.028 8.247 8.230 0.074 0.000 0.477 263 C N 4.284 123.571 119.300 -0.021 0.000 2.416 263 C HA 0.113 4.748 4.460 -0.032 -0.195 0.355 263 C C 0.043 175.005 174.990 -0.047 0.000 1.211 263 C CA 0.590 59.582 59.018 -0.044 0.000 1.699 263 C CB -0.570 27.119 27.740 -0.086 0.000 2.310 263 C HN 0.467 8.681 8.230 -0.026 0.000 0.539 264 L N 7.604 128.795 121.223 -0.053 0.000 2.433 264 L HA -0.074 4.236 4.340 -0.049 0.000 0.284 264 L C -0.864 175.944 176.870 -0.103 0.000 1.120 264 L CA -0.575 54.214 54.840 -0.085 0.000 0.879 264 L CB -0.513 41.452 42.059 -0.158 0.000 1.232 264 L HN 0.042 8.242 8.230 -0.049 0.000 0.454 265 R N 4.794 125.252 120.500 -0.071 0.000 2.220 265 R HA 0.072 4.539 4.340 -0.048 -0.156 0.340 265 R C -0.667 175.612 176.300 -0.035 0.000 1.076 265 R CA -0.329 55.739 56.100 -0.053 0.000 0.920 265 R CB -0.091 30.177 30.300 -0.053 0.000 1.062 265 R HN 0.122 8.357 8.270 -0.059 0.000 0.469 266 L N 4.646 125.855 121.223 -0.023 0.000 2.322 266 L HA 0.269 4.606 4.340 -0.005 0.000 0.279 266 L C 0.020 176.907 176.870 0.028 0.000 1.036 266 L CA -1.280 53.559 54.840 -0.002 0.000 0.807 266 L CB 2.128 44.184 42.059 -0.005 0.000 1.226 266 L HN 0.496 8.713 8.230 -0.021 0.000 0.433 267 D N 1.270 121.689 120.400 0.032 0.000 2.162 267 D HA -0.214 4.448 4.640 0.035 0.000 0.203 267 D C -0.183 176.145 176.300 0.047 0.000 0.967 267 D CA 2.686 56.707 54.000 0.036 0.000 0.840 267 D CB 0.345 41.160 40.800 0.025 0.000 0.972 267 D HN 0.270 8.658 8.370 0.030 0.000 0.482 268 D N -1.405 119.031 120.400 0.060 0.000 2.381 268 D HA 0.082 4.758 4.640 0.062 0.000 0.235 268 D C 0.522 176.882 176.300 0.100 0.000 1.068 268 D CA -1.511 52.532 54.000 0.072 0.000 0.832 268 D CB 0.558 41.400 40.800 0.070 0.000 1.101 268 D HN -0.604 7.805 8.370 0.066 0.000 0.515 269 L N 7.357 128.634 121.223 0.090 0.000 2.042 269 L HA -0.294 4.109 4.340 0.105 0.000 0.210 269 L C 0.722 177.691 176.870 0.165 0.000 1.076 269 L CA 2.462 57.366 54.840 0.108 0.000 0.749 269 L CB 0.247 42.351 42.059 0.075 0.000 0.893 269 L HN 0.227 8.824 8.230 0.073 -0.323 0.432 270 A N -2.227 120.672 122.820 0.131 0.000 2.019 270 A HA -0.360 4.081 4.320 0.202 0.000 0.219 270 A C 1.685 179.387 177.584 0.196 0.000 1.164 270 A CA 3.046 55.180 52.037 0.161 0.000 0.644 270 A CB -1.172 17.885 19.000 0.096 0.000 0.805 270 A HN -0.162 8.330 8.150 0.100 -0.282 0.449 271 E N -0.587 119.713 120.200 0.166 0.000 2.051 271 E HA -0.366 4.051 4.350 0.111 0.000 0.192 271 E C 1.415 178.127 176.600 0.187 0.000 0.991 271 E CA 2.358 58.846 56.400 0.147 0.000 0.799 271 E CB -0.855 28.910 29.700 0.110 0.000 0.748 271 E HN -0.315 8.363 8.360 0.144 -0.232 0.449 272 F N 0.707 120.716 119.950 0.098 0.000 2.154 272 F HA -0.362 4.217 4.527 0.088 0.000 0.301 272 F C 1.692 177.570 175.800 0.130 0.000 1.087 272 F CA 3.801 61.871 58.000 0.116 0.000 1.274 272 F CB 0.136 39.221 39.000 0.143 0.000 1.009 272 F HN -0.778 7.742 8.300 0.366 0.000 0.485 273 Y N -1.038 119.421 120.300 0.266 0.000 2.263 273 Y HA -0.460 4.193 4.550 0.170 0.000 0.292 273 Y C 1.813 177.751 175.900 0.064 0.000 1.130 273 Y CA 4.396 62.590 58.100 0.156 0.000 1.179 273 Y CB 0.099 38.646 38.460 0.145 0.000 0.998 273 Y HN -0.753 7.831 8.280 0.507 0.000 0.532 274 R N -1.160 119.430 120.500 0.150 0.000 2.112 274 R HA -0.547 3.816 4.340 0.039 0.000 0.242 274 R C 2.150 178.421 176.300 -0.049 0.000 1.137 274 R CA 3.921 60.046 56.100 0.043 0.000 0.944 274 R CB -0.552 29.782 30.300 0.057 0.000 0.857 274 R HN 0.324 8.619 8.270 0.215 0.104 0.435 275 Q N -0.462 119.294 119.800 -0.074 0.000 2.050 275 Q HA -0.289 3.980 4.340 -0.118 0.000 0.202 275 Q C 2.483 178.350 176.000 -0.221 0.000 0.980 275 Q CA 2.951 58.663 55.803 -0.152 0.000 0.840 275 Q CB 0.011 28.638 28.738 -0.186 0.000 0.898 275 Q HN -0.227 8.030 8.270 -0.021 0.000 0.424 276 C N -1.677 117.457 119.300 -0.277 0.000 2.398 276 C HA -0.575 3.694 4.460 -0.319 0.000 0.276 276 C C 1.899 176.731 174.990 -0.262 0.000 1.222 276 C CA 5.006 63.845 59.018 -0.299 0.000 1.746 276 C CB -0.117 27.447 27.740 -0.294 0.000 2.039 276 C HN -0.052 8.023 8.230 -0.259 0.000 0.470 277 K N -3.161 117.076 120.400 -0.272 0.000 2.217 277 K HA -0.195 4.012 4.320 -0.187 0.000 0.202 277 K C 1.891 178.415 176.600 -0.127 0.000 1.051 277 K CA 2.492 58.662 56.287 -0.195 0.000 0.952 277 K CB -0.044 32.344 32.500 -0.187 0.000 0.736 277 K HN -0.713 7.351 8.250 -0.309 0.000 0.453 278 S N -0.936 114.695 115.700 -0.116 0.000 2.357 278 S HA -0.152 4.274 4.470 -0.073 0.000 0.221 278 S C 1.849 176.389 174.600 -0.101 0.000 1.031 278 S CA 2.463 60.608 58.200 -0.091 0.000 0.982 278 S CB 0.545 63.700 63.200 -0.074 0.000 0.853 278 S HN -0.489 7.741 8.310 -0.134 0.000 0.458 279 V N -4.886 114.950 119.914 -0.131 0.000 2.871 279 V HA 0.191 4.247 4.120 -0.107 0.000 0.256 279 V C -0.072 175.939 176.094 -0.138 0.000 1.082 279 V CA 0.477 62.695 62.300 -0.136 0.000 1.105 279 V CB 0.565 32.290 31.823 -0.164 0.000 0.713 279 V HN -0.330 7.770 8.190 -0.150 0.000 0.473 280 G N 0.774 109.488 108.800 -0.144 0.000 2.740 280 G HA2 -0.206 3.696 3.960 -0.096 0.000 0.267 280 G HA3 -0.206 3.697 3.960 -0.095 0.000 0.267 280 G C -1.625 173.200 174.900 -0.125 0.000 0.971 280 G CA -0.465 44.565 45.100 -0.116 0.000 1.288 280 G HN -0.669 7.529 8.290 -0.153 0.000 0.615 281 I N 1.363 121.860 120.570 -0.122 0.000 2.548 281 I HA 0.205 4.384 4.170 0.015 0.000 0.287 281 I C -1.846 174.235 176.117 -0.060 0.000 1.103 281 I CA -0.832 60.430 61.300 -0.062 0.000 1.049 281 I CB 2.054 39.998 38.000 -0.095 0.000 1.232 281 I HN -0.423 7.704 8.210 -0.139 0.000 0.429 282 Q N 5.983 125.768 119.800 -0.024 0.000 2.304 282 Q HA 0.004 4.310 4.340 -0.056 0.000 0.260 282 Q C -0.619 175.347 176.000 -0.055 0.000 0.965 282 Q CA -0.700 55.077 55.803 -0.043 0.000 0.898 282 Q CB 0.929 29.646 28.738 -0.034 0.000 1.196 282 Q HN 0.213 8.490 8.270 0.011 0.000 0.402 283 E N 5.183 125.343 120.200 -0.066 0.000 1.996 283 E HA 0.156 4.634 4.350 -0.102 -0.189 0.280 283 E C -0.607 175.937 176.600 -0.094 0.000 1.092 283 E CA -0.607 55.747 56.400 -0.077 0.000 0.862 283 E CB 0.162 29.845 29.700 -0.028 0.000 1.066 283 E HN 0.260 8.584 8.360 -0.060 0.000 0.396 284 T N 3.783 118.241 114.554 -0.160 0.000 2.932 284 T HA 0.252 4.568 4.350 -0.055 0.000 0.318 284 T C -0.331 174.317 174.700 -0.087 0.000 1.265 284 T CA -1.840 60.204 62.100 -0.093 0.000 1.036 284 T CB 1.482 70.324 68.868 -0.043 0.000 1.209 284 T HN -0.144 7.955 8.240 -0.236 0.000 0.484 285 S N 4.613 120.347 115.700 0.056 0.000 2.336 285 S HA -0.148 4.590 4.470 0.448 0.000 0.214 285 S C 0.657 175.361 174.600 0.172 0.000 1.032 285 S CA 1.250 59.575 58.200 0.207 0.000 1.001 285 S CB -0.028 63.262 63.200 0.152 0.000 0.953 285 S HN 0.315 8.645 8.310 0.034 0.000 0.430 286 S N 0.595 116.348 115.700 0.088 0.000 2.632 286 S HA 0.153 4.673 4.470 0.084 0.000 0.267 286 S C -0.672 173.953 174.600 0.042 0.000 1.276 286 S CA 0.226 58.465 58.200 0.065 0.000 0.998 286 S CB 0.592 63.813 63.200 0.034 0.000 0.953 286 S HN -0.054 8.295 8.310 0.065 0.000 0.547 287 G N 0.551 109.375 108.800 0.041 0.000 2.612 287 G HA2 -0.222 3.668 3.960 -0.116 0.000 0.686 287 G HA3 -0.222 3.693 3.960 -0.076 0.000 0.686 287 G C -3.116 171.817 174.900 0.056 0.000 1.274 287 G CA -0.406 44.675 45.100 -0.032 0.000 0.849 287 G HN 0.085 8.408 8.290 0.055 0.000 0.595 288 Y N -3.738 116.545 120.300 -0.028 0.000 2.479 288 Y HA 0.558 5.084 4.550 -0.040 0.000 0.338 288 Y C -2.101 173.747 175.900 -0.087 0.000 1.055 288 Y CA -3.451 54.615 58.100 -0.056 0.000 1.023 288 Y CB 0.721 39.140 38.460 -0.069 0.000 1.287 288 Y HN -0.129 7.859 8.280 -0.488 0.000 0.447 289 P HA 0.417 4.985 4.420 0.022 -0.135 0.277 289 P C -1.948 175.394 177.300 0.069 0.000 1.240 289 P CA -0.511 62.590 63.100 0.002 0.000 0.798 289 P CB 1.843 33.443 31.700 -0.166 0.000 0.979 290 R N -4.038 116.529 120.500 0.111 0.000 2.752 290 R HA 0.691 5.228 4.340 0.050 -0.168 0.271 290 R C -1.697 174.670 176.300 0.112 0.000 1.026 290 R CA -1.294 54.855 56.100 0.082 0.000 0.901 290 R CB 3.913 34.244 30.300 0.053 0.000 1.243 290 R HN 0.714 9.059 8.270 0.124 0.000 0.463 291 I N -4.591 116.002 120.570 0.039 0.000 2.498 291 I HA 0.808 5.266 4.170 0.201 -0.168 0.290 291 I C -1.544 174.579 176.117 0.009 0.000 1.032 291 I CA -1.723 59.640 61.300 0.104 0.000 1.073 291 I CB 3.059 41.094 38.000 0.058 0.000 1.251 291 I HN 0.195 8.390 8.210 -0.026 0.000 0.426 292 H N 5.255 124.474 119.070 0.248 0.000 2.567 292 H HA 0.425 5.098 4.556 0.194 0.000 0.345 292 H C -0.452 174.996 175.328 0.200 0.000 1.169 292 H CA -0.589 55.581 56.048 0.203 0.000 1.227 292 H CB 3.477 33.312 29.762 0.122 0.000 1.607 292 H HN 0.540 8.915 8.280 0.336 0.107 0.534 293 A N 1.259 124.182 122.820 0.171 0.000 2.272 293 A HA 0.360 4.302 4.320 -0.629 0.000 0.275 293 A C -1.989 175.458 177.584 -0.227 0.000 1.096 293 A CA -2.086 49.834 52.037 -0.195 0.000 0.822 293 A CB -0.759 18.183 19.000 -0.096 0.000 1.088 293 A HN 0.117 8.576 8.150 0.251 -0.158 0.495 294 P HA -0.033 4.327 4.420 -0.098 0.000 0.258 294 P C -1.491 175.756 177.300 -0.089 0.000 1.563 294 P CA 0.279 63.275 63.100 -0.173 0.000 1.241 294 P CB -1.304 30.281 31.700 -0.193 0.000 1.811 295 E N 3.416 123.592 120.200 -0.041 0.000 2.227 295 E HA 0.151 4.477 4.350 -0.040 0.000 0.268 295 E C -0.937 175.641 176.600 -0.036 0.000 0.990 295 E CA -1.899 54.484 56.400 -0.028 0.000 0.856 295 E CB 2.904 32.602 29.700 -0.003 0.000 1.159 295 E HN -0.084 8.208 8.360 -0.024 0.053 0.401 296 L N 1.585 122.775 121.223 -0.056 0.000 2.326 296 L HA 0.137 4.537 4.340 -0.138 -0.143 0.278 296 L C 0.470 177.277 176.870 -0.105 0.000 1.092 296 L CA 0.327 55.106 54.840 -0.101 0.000 0.810 296 L CB 0.606 42.608 42.059 -0.095 0.000 1.153 296 L HN 0.224 8.428 8.230 -0.044 0.000 0.439 297 Q N 1.061 120.744 119.800 -0.196 0.000 2.433 297 Q HA 0.303 4.619 4.340 -0.040 0.000 0.279 297 Q C 0.353 176.238 176.000 -0.192 0.000 1.105 297 Q CA -1.670 54.041 55.803 -0.154 0.000 0.815 297 Q CB 2.185 30.852 28.738 -0.119 0.000 1.403 297 Q HN -0.029 8.062 8.270 -0.299 0.000 0.435 298 E N 4.421 124.608 120.200 -0.021 0.000 2.467 298 E HA -0.017 nan 4.350 nan 0.000 0.321 298 E C -1.102 175.588 176.600 0.151 0.000 1.388 298 E CA 0.397 56.813 56.400 0.026 0.000 1.508 298 E CB -2.077 nan 29.700 nan 0.000 1.250 298 E HN 0.626 9.018 8.360 0.053 0.000 0.500 299 W N -1.122 120.178 121.300 -0.000 0.000 4.317 299 W HA 0.085 4.746 4.660 0.001 0.000 0.165 299 W C -0.086 176.433 176.519 -0.000 0.000 1.029 299 W CA 0.389 57.734 57.345 0.000 0.000 1.599 299 W CB 1.695 31.156 29.460 0.002 0.000 0.562 299 W HN 0.159 8.096 8.180 -0.277 0.077 0.988 300 G N -0.656 107.771 108.800 -0.622 0.000 4.339 300 G HA2 -0.055 3.761 3.960 -0.241 0.000 0.163 300 G HA3 -0.055 3.718 3.960 -0.313 0.000 0.163 300 G C -1.294 173.159 174.900 -0.744 0.000 1.118 300 G CA 1.147 45.930 45.100 -0.528 0.000 1.022 300 G HN -0.353 7.184 8.290 -1.256 0.000 0.337 301 G N 0.574 108.589 108.800 -1.308 0.000 2.887 301 G HA2 0.225 3.926 3.960 -0.432 0.000 0.210 301 G HA3 0.225 3.901 3.960 -0.473 0.000 0.210 301 G C -1.883 172.662 174.900 -0.593 0.000 1.964 301 G CA -0.379 44.300 45.100 -0.702 0.000 0.738 301 G HN -0.307 6.381 8.290 -2.669 0.000 0.790 302 T N 1.403 115.780 114.554 -0.295 0.000 2.923 302 T HA 0.696 5.115 4.350 -0.114 -0.137 0.311 302 T C -2.376 172.422 174.700 0.163 0.000 1.183 302 T CA -1.124 60.938 62.100 -0.063 0.000 1.020 302 T CB 1.864 70.697 68.868 -0.058 0.000 1.165 302 T HN -0.178 7.952 8.240 -0.184 0.000 0.482 303 M N 7.018 126.711 119.600 0.154 0.000 2.271 303 M HA 0.722 5.510 4.480 0.178 -0.201 0.285 303 M C -2.386 173.975 176.300 0.102 0.000 1.059 303 M CA -0.793 54.618 55.300 0.184 0.000 0.940 303 M CB 4.568 37.343 32.600 0.291 0.000 1.636 303 M HN 0.449 8.784 8.290 0.075 0.000 0.460 304 A N 3.992 126.863 122.820 0.085 0.000 2.242 304 A HA 0.642 5.200 4.320 0.089 -0.184 0.304 304 A C -2.086 175.590 177.584 0.153 0.000 1.100 304 A CA -2.127 49.972 52.037 0.104 0.000 0.860 304 A CB 2.780 21.835 19.000 0.093 0.000 1.168 304 A HN 0.679 8.884 8.150 0.090 0.000 0.503 305 A N -1.622 121.330 122.820 0.219 0.000 2.411 305 A HA 0.567 5.143 4.320 0.170 -0.154 0.285 305 A C -2.132 175.614 177.584 0.271 0.000 1.129 305 A CA -1.274 50.893 52.037 0.216 0.000 0.736 305 A CB 2.402 21.511 19.000 0.182 0.000 1.186 305 A HN 0.093 8.402 8.150 0.266 0.000 0.445 306 L N 5.991 127.370 121.223 0.261 0.000 2.331 306 L HA 0.447 5.104 4.340 0.289 -0.143 0.278 306 L C -1.804 175.211 176.870 0.242 0.000 1.106 306 L CA -0.524 54.490 54.840 0.290 0.000 0.824 306 L CB 2.139 44.421 42.059 0.372 0.000 1.142 306 L HN 0.365 8.727 8.230 0.220 0.000 0.443 307 V N 7.228 127.270 119.914 0.214 0.000 2.350 307 V HA 0.466 4.901 4.120 0.136 -0.233 0.285 307 V C -1.125 175.009 176.094 0.067 0.000 1.014 307 V CA -1.738 60.648 62.300 0.144 0.000 0.831 307 V CB 1.866 33.772 31.823 0.137 0.000 1.000 307 V HN 0.783 9.110 8.190 0.227 0.000 0.433 308 D N 8.196 128.581 120.400 -0.025 0.000 2.447 308 D HA 0.210 4.410 4.640 -0.733 0.000 0.265 308 D C -0.626 175.421 176.300 -0.421 0.000 1.250 308 D CA -1.798 51.953 54.000 -0.415 0.000 1.046 308 D CB -0.900 39.738 40.800 -0.270 0.000 1.095 308 D HN -0.417 7.990 8.370 0.060 0.000 0.555 309 P HA -0.169 4.250 4.420 -0.000 0.000 0.217 309 P C 0.204 177.367 177.300 -0.228 0.000 1.148 309 P CA 2.509 65.454 63.100 -0.259 0.000 0.828 309 P CB 0.026 31.532 31.700 -0.323 0.000 0.783 310 D N -3.565 116.686 120.400 -0.249 0.000 2.325 310 D HA 0.057 4.539 4.640 -0.263 0.000 0.234 310 D C -0.107 176.058 176.300 -0.225 0.000 1.122 310 D CA 0.505 54.367 54.000 -0.230 0.000 0.850 310 D CB -0.410 40.290 40.800 -0.168 0.000 0.921 310 D HN -0.490 7.877 8.370 -0.257 -0.152 0.513 311 G N -2.249 106.379 108.800 -0.287 0.000 2.153 311 G HA2 -0.502 3.315 3.960 -0.238 0.000 0.252 311 G HA3 -0.502 3.505 3.960 -0.221 -0.180 0.252 311 G C -0.489 174.392 174.900 -0.032 0.000 0.994 311 G CA 0.589 45.567 45.100 -0.203 0.000 0.698 311 G HN -0.387 7.640 8.290 -0.295 0.087 0.521 312 T N 2.857 117.427 114.554 0.027 0.000 2.723 312 T HA -0.057 4.529 4.350 0.151 -0.145 0.297 312 T C -0.581 174.201 174.700 0.137 0.000 0.925 312 T CA 0.284 62.459 62.100 0.124 0.000 1.030 312 T CB 0.804 69.781 68.868 0.181 0.000 0.905 312 T HN -0.509 7.906 8.240 -0.019 -0.186 0.502 313 L N 9.704 131.000 121.223 0.121 0.000 2.395 313 L HA 0.142 4.702 4.340 0.121 -0.147 0.268 313 L C -1.628 175.316 176.870 0.122 0.000 1.223 313 L CA -0.736 54.170 54.840 0.111 0.000 1.093 313 L CB -0.313 41.787 42.059 0.069 0.000 1.349 313 L HN 0.094 8.398 8.230 0.124 0.000 0.427 314 L N 7.112 128.429 121.223 0.157 0.000 2.342 314 L HA 0.065 4.662 4.340 0.108 -0.192 0.285 314 L C -0.564 176.371 176.870 0.108 0.000 1.095 314 L CA -0.445 54.481 54.840 0.144 0.000 0.843 314 L CB -0.450 41.742 42.059 0.222 0.000 1.201 314 L HN 0.321 8.630 8.230 0.188 0.035 0.445 315 R N 4.941 125.479 120.500 0.063 0.000 2.248 315 R HA 0.068 4.575 4.340 0.075 -0.121 0.337 315 R C -0.430 175.875 176.300 0.008 0.000 1.085 315 R CA -0.703 55.425 56.100 0.046 0.000 0.934 315 R CB -0.047 30.269 30.300 0.025 0.000 1.034 315 R HN 0.138 8.438 8.270 0.051 0.000 0.465 316 L N 6.558 127.790 121.223 0.014 0.000 2.401 316 L HA 0.118 4.539 4.340 -0.140 -0.164 0.283 316 L C -0.689 176.189 176.870 0.013 0.000 1.151 316 L CA -0.523 54.285 54.840 -0.054 0.000 0.942 316 L CB -0.988 41.036 42.059 -0.058 0.000 1.283 316 L HN 0.606 8.774 8.230 0.063 0.099 0.442 317 I N 3.948 124.521 120.570 0.005 0.000 2.428 317 I HA 0.064 4.478 4.170 0.188 -0.132 0.289 317 I C -0.995 175.180 176.117 0.097 0.000 1.019 317 I CA -0.522 60.829 61.300 0.084 0.000 1.351 317 I CB 1.844 39.827 38.000 -0.028 0.000 1.412 317 I HN 0.365 8.548 8.210 -0.046 0.000 0.513 318 Q N 7.466 127.370 119.800 0.174 0.000 2.297 318 Q HA -0.131 4.264 4.340 0.092 0.000 0.267 318 Q C -0.477 175.626 176.000 0.173 0.000 1.006 318 Q CA -0.061 55.827 55.803 0.141 0.000 0.896 318 Q CB 0.349 29.159 28.738 0.119 0.000 1.186 318 Q HN -0.279 8.148 8.270 0.261 0.000 0.392 319 N N 6.708 125.470 118.700 0.103 0.000 2.453 319 N HA -0.047 4.757 4.740 0.106 0.000 0.253 319 N C 0.284 175.853 175.510 0.099 0.000 1.252 319 N CA 0.650 53.755 53.050 0.093 0.000 0.917 319 N CB 0.836 39.352 38.487 0.049 0.000 1.117 319 N HN 0.145 8.569 8.380 0.074 0.000 0.442 320 E N 3.620 123.880 120.200 0.101 0.000 2.127 320 E HA 0.141 4.546 4.350 0.092 0.000 0.262 320 E C 0.069 176.702 176.600 0.056 0.000 1.144 320 E CA -0.506 55.950 56.400 0.093 0.000 1.144 320 E CB -1.939 27.836 29.700 0.124 0.000 1.297 320 E HN 0.485 8.911 8.360 0.109 0.000 0.469 321 L N 1.415 122.664 121.223 0.043 0.000 2.187 321 L HA -0.296 4.062 4.340 0.030 0.000 0.213 321 L C 1.332 178.216 176.870 0.024 0.000 1.100 321 L CA 2.542 57.400 54.840 0.030 0.000 0.765 321 L CB -1.195 40.880 42.059 0.026 0.000 0.904 321 L HN -0.451 7.738 8.230 0.049 0.070 0.437 322 L N -1.935 119.300 121.223 0.021 0.000 2.042 322 L HA -0.297 4.051 4.340 0.013 0.000 0.210 322 L C 2.700 179.581 176.870 0.019 0.000 1.076 322 L CA 2.926 57.776 54.840 0.016 0.000 0.749 322 L CB -0.689 41.376 42.059 0.010 0.000 0.893 322 L HN -0.314 7.890 8.230 0.024 0.040 0.432 323 A N -1.614 121.222 122.820 0.026 0.000 1.871 323 A HA 0.006 4.339 4.320 0.022 0.000 0.211 323 A C 1.900 179.500 177.584 0.026 0.000 1.207 323 A CA 2.244 54.298 52.037 0.028 0.000 0.620 323 A CB -0.466 18.556 19.000 0.037 0.000 0.860 323 A HN -0.148 8.021 8.150 0.032 0.000 0.450 324 G N -1.934 106.884 108.800 0.030 0.000 2.443 324 G HA2 -0.233 3.740 3.960 0.023 0.000 0.219 324 G HA3 -0.233 3.743 3.960 0.028 0.000 0.219 324 G C 0.442 175.354 174.900 0.019 0.000 1.131 324 G CA 1.293 46.408 45.100 0.025 0.000 0.775 324 G HN 0.082 8.394 8.290 0.037 0.000 0.547 325 I N 0.310 120.891 120.570 0.019 0.000 2.726 325 I HA -0.010 4.168 4.170 0.013 0.000 0.243 325 I C 0.588 176.712 176.117 0.013 0.000 1.082 325 I CA 0.798 62.106 61.300 0.015 0.000 1.447 325 I CB 0.695 38.704 38.000 0.015 0.000 1.250 325 I HN -0.493 7.730 8.210 0.021 0.000 0.453 326 S N 0.000 115.708 115.700 0.013 0.000 2.498 326 S HA 0.000 4.476 4.470 0.010 0.000 0.327 326 S CA 0.000 58.206 58.200 0.011 0.000 1.107 326 S CB 0.000 63.206 63.200 0.010 0.000 0.593 326 S HN 0.000 8.319 8.310 0.014 0.000 0.517