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 2kp8_1_C DATA FIRST_RESID 201 DATA SEQUENCE TSLIHSLIEE SQNQQEKNEQ ELLELDGDGP QLLSGIVQQQ NNLLRAIEAQ DATA SEQUENCE QHLLQLTVWG IKQLQARILA VE 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 201 T HA 0.000 4.380 4.350 0.049 0.000 0.000 201 T C 0.000 174.747 174.700 0.079 0.000 0.000 201 T CA 0.000 62.135 62.100 0.058 0.000 0.000 201 T CB 0.000 68.912 68.868 0.073 0.000 0.000 202 S N 2.661 118.396 115.700 0.059 0.000 2.400 202 S HA -0.183 4.312 4.470 0.041 0.000 0.232 202 S C 1.813 176.457 174.600 0.073 0.000 1.025 202 S CA 3.535 61.765 58.200 0.049 0.000 0.993 202 S CB -0.367 62.845 63.200 0.020 0.000 0.808 202 S HN 0.078 8.416 8.310 0.048 0.000 0.478 203 L N -0.363 120.894 121.223 0.058 0.000 1.988 203 L HA -0.192 4.177 4.340 0.049 0.000 0.207 203 L C 1.953 178.858 176.870 0.059 0.000 1.071 203 L CA 2.776 57.646 54.840 0.050 0.000 0.744 203 L CB -1.291 40.787 42.059 0.031 0.000 0.893 203 L HN -0.304 7.939 8.230 0.047 0.015 0.433 204 I N -5.866 114.737 120.570 0.054 0.000 2.335 204 I HA -0.430 3.751 4.170 0.018 0.000 0.251 204 I C 1.317 177.466 176.117 0.053 0.000 1.129 204 I CA 2.535 63.858 61.300 0.038 0.000 1.402 204 I CB -1.430 36.580 38.000 0.017 0.000 1.069 204 I HN -0.376 7.864 8.210 0.050 0.000 0.424 205 H N 1.380 120.459 119.070 0.014 0.000 2.357 205 H HA -0.293 4.279 4.556 0.027 0.000 0.301 205 H C 2.082 177.421 175.328 0.018 0.000 1.082 205 H CA 4.540 60.602 56.048 0.023 0.000 1.342 205 H CB 0.137 29.919 29.762 0.032 0.000 1.389 205 H HN -0.371 8.019 8.280 0.203 0.012 0.511 206 S N 1.198 117.009 115.700 0.186 0.000 2.370 206 S HA -0.303 4.258 4.470 0.152 0.000 0.226 206 S C 2.047 176.673 174.600 0.043 0.000 1.033 206 S CA 4.067 62.336 58.200 0.115 0.000 1.011 206 S CB -0.257 62.993 63.200 0.083 0.000 0.852 206 S HN -0.459 7.961 8.310 0.184 0.000 0.457 207 L N 1.071 122.307 121.223 0.021 0.000 2.056 207 L HA -0.271 4.069 4.340 0.000 0.000 0.207 207 L C 1.958 178.809 176.870 -0.030 0.000 1.078 207 L CA 3.167 58.004 54.840 -0.004 0.000 0.749 207 L CB -0.706 41.350 42.059 -0.005 0.000 0.901 207 L HN -0.229 8.022 8.230 0.035 0.000 0.433 208 I N -0.013 120.519 120.570 -0.063 0.000 2.142 208 I HA -0.516 3.605 4.170 -0.082 0.000 0.240 208 I C 2.119 178.174 176.117 -0.102 0.000 1.078 208 I CA 3.766 65.003 61.300 -0.105 0.000 1.343 208 I CB -0.295 37.607 38.000 -0.163 0.000 1.046 208 I HN 0.260 8.436 8.210 -0.057 0.000 0.405 209 E N 0.139 120.272 120.200 -0.111 0.000 2.085 209 E HA -0.419 3.890 4.350 -0.068 0.000 0.194 209 E C 2.369 178.961 176.600 -0.014 0.000 0.994 209 E CA 3.177 59.547 56.400 -0.050 0.000 0.801 209 E CB -0.672 29.044 29.700 0.028 0.000 0.743 209 E HN 0.341 8.514 8.360 -0.130 0.109 0.453 210 E N -1.438 118.758 120.200 -0.006 0.000 2.106 210 E HA -0.196 4.157 4.350 0.004 0.000 0.192 210 E C 2.839 179.433 176.600 -0.011 0.000 0.984 210 E CA 2.124 58.523 56.400 -0.002 0.000 0.806 210 E CB -0.680 29.022 29.700 0.004 0.000 0.750 210 E HN -0.102 8.255 8.360 -0.005 0.000 0.458 211 S N -0.487 115.200 115.700 -0.021 0.000 2.387 211 S HA -0.211 4.248 4.470 -0.018 0.000 0.226 211 S C 2.235 176.821 174.600 -0.024 0.000 1.026 211 S CA 3.383 61.568 58.200 -0.024 0.000 0.972 211 S CB -0.167 63.013 63.200 -0.034 0.000 0.814 211 S HN -0.092 8.127 8.310 -0.027 0.074 0.477 212 Q N 1.823 121.606 119.800 -0.028 0.000 2.016 212 Q HA -0.305 4.022 4.340 -0.022 0.000 0.200 212 Q C 2.267 178.261 176.000 -0.011 0.000 0.978 212 Q CA 3.049 58.839 55.803 -0.022 0.000 0.833 212 Q CB -0.281 28.440 28.738 -0.028 0.000 0.895 212 Q HN 0.285 8.532 8.270 -0.037 0.000 0.427 213 N N -0.354 118.342 118.700 -0.006 0.000 2.036 213 N HA -0.370 4.371 4.740 0.002 0.000 0.195 213 N C 2.332 177.841 175.510 -0.002 0.000 1.037 213 N CA 3.752 56.802 53.050 -0.000 0.000 0.855 213 N CB -0.202 38.288 38.487 0.005 0.000 1.033 213 N HN 0.104 8.372 8.380 -0.008 0.107 0.423 214 Q N -1.174 118.624 119.800 -0.004 0.000 2.230 214 Q HA -0.189 4.150 4.340 -0.002 0.000 0.202 214 Q C 2.264 178.260 176.000 -0.006 0.000 0.963 214 Q CA 2.468 58.269 55.803 -0.005 0.000 0.866 214 Q CB -0.303 28.431 28.738 -0.006 0.000 0.931 214 Q HN -0.141 8.125 8.270 -0.006 0.000 0.452 215 Q N 0.660 120.455 119.800 -0.009 0.000 2.046 215 Q HA -0.291 4.043 4.340 -0.009 0.000 0.200 215 Q C 2.322 178.318 176.000 -0.006 0.000 0.975 215 Q CA 2.954 58.752 55.803 -0.009 0.000 0.836 215 Q CB -0.630 28.101 28.738 -0.012 0.000 0.896 215 Q HN -0.317 7.821 8.270 -0.010 0.126 0.428 216 E N -0.540 119.658 120.200 -0.004 0.000 2.160 216 E HA -0.345 4.004 4.350 -0.001 0.000 0.195 216 E C 2.924 179.524 176.600 -0.001 0.000 0.991 216 E CA 3.082 59.481 56.400 -0.001 0.000 0.810 216 E CB -0.450 29.251 29.700 0.001 0.000 0.742 216 E HN -0.069 8.288 8.360 -0.004 0.000 0.466 217 K N -1.689 118.710 120.400 -0.001 0.000 2.062 217 K HA -0.212 4.109 4.320 0.000 0.000 0.205 217 K C 2.224 178.823 176.600 -0.001 0.000 1.051 217 K CA 2.534 58.820 56.287 -0.000 0.000 0.941 217 K CB -0.271 32.229 32.500 -0.000 0.000 0.719 217 K HN -0.389 7.758 8.250 -0.001 0.103 0.440 218 N N 0.003 118.702 118.700 -0.003 0.000 2.142 218 N HA -0.312 4.426 4.740 -0.003 0.000 0.186 218 N C 2.103 177.611 175.510 -0.003 0.000 1.023 218 N CA 3.283 56.331 53.050 -0.003 0.000 0.852 218 N CB 0.320 38.804 38.487 -0.005 0.000 0.998 218 N HN -0.141 8.237 8.380 -0.003 0.000 0.424 219 E N 0.192 120.391 120.200 -0.003 0.000 2.106 219 E HA -0.370 3.979 4.350 -0.003 0.000 0.192 219 E C 1.921 178.520 176.600 -0.001 0.000 0.984 219 E CA 2.903 59.301 56.400 -0.002 0.000 0.806 219 E CB -0.736 28.963 29.700 -0.002 0.000 0.750 219 E HN 0.157 8.515 8.360 -0.003 0.000 0.458 220 Q N -0.231 119.569 119.800 -0.001 0.000 2.079 220 Q HA -0.284 4.056 4.340 0.000 0.000 0.200 220 Q C 2.572 178.572 176.000 -0.000 0.000 0.974 220 Q CA 2.945 58.748 55.803 0.000 0.000 0.840 220 Q CB 0.038 28.776 28.738 0.001 0.000 0.898 220 Q HN -0.662 7.607 8.270 -0.001 0.000 0.430 221 E N -0.970 119.229 120.200 -0.001 0.000 2.152 221 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 221 E C 2.502 179.101 176.600 -0.001 0.000 0.983 221 E CA 2.419 58.818 56.400 -0.001 0.000 0.818 221 E CB -0.230 29.469 29.700 -0.001 0.000 0.758 221 E HN -0.312 8.047 8.360 -0.001 0.000 0.467 222 L N -0.099 121.124 121.223 -0.001 0.000 2.083 222 L HA -0.271 4.068 4.340 -0.002 0.000 0.209 222 L C 1.230 178.100 176.870 -0.001 0.000 1.083 222 L CA 2.657 57.496 54.840 -0.002 0.000 0.752 222 L CB -0.042 42.016 42.059 -0.002 0.000 0.899 222 L HN -0.423 7.724 8.230 -0.002 0.083 0.433 223 L N -4.191 117.031 121.223 -0.001 0.000 2.141 223 L HA -0.296 4.044 4.340 -0.000 0.000 0.209 223 L C 1.269 178.139 176.870 -0.000 0.000 1.094 223 L CA 2.274 57.113 54.840 -0.000 0.000 0.763 223 L CB 0.127 42.186 42.059 -0.000 0.000 0.908 223 L HN -0.564 7.570 8.230 -0.001 0.095 0.437 224 E N -1.740 118.460 120.200 -0.000 0.000 2.077 224 E HA -0.218 4.132 4.350 0.000 0.000 0.193 224 E C 1.543 178.143 176.600 -0.000 0.000 0.989 224 E CA 2.227 58.627 56.400 -0.000 0.000 0.800 224 E CB 0.464 30.164 29.700 0.000 0.000 0.746 224 E HN -0.650 7.607 8.360 -0.000 0.102 0.452 225 L N -2.984 118.239 121.223 -0.001 0.000 2.480 225 L HA 0.241 4.581 4.340 -0.000 0.000 0.243 225 L C -1.083 175.787 176.870 -0.001 0.000 1.315 225 L CA -1.848 52.992 54.840 -0.001 0.000 1.231 225 L CB -1.802 40.257 42.059 -0.001 0.000 1.444 225 L HN -0.839 7.391 8.230 -0.001 0.000 0.409 226 D N 0.482 120.882 120.400 -0.000 0.000 2.422 226 D HA -0.170 4.469 4.640 -0.000 0.000 0.263 226 D C 0.277 176.576 176.300 -0.000 0.000 1.334 226 D CA 0.121 54.121 54.000 -0.000 0.000 1.105 226 D CB -1.475 39.325 40.800 -0.000 0.000 1.107 226 D HN -0.447 7.874 8.370 -0.000 0.050 0.522 227 G N 6.129 114.929 108.800 -0.001 0.000 2.254 227 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.193 227 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.193 227 G C -1.445 173.454 174.900 -0.001 0.000 1.233 227 G CA -0.572 44.528 45.100 -0.001 0.000 1.290 227 G HN -0.315 7.974 8.290 -0.001 0.000 0.517 228 D N 2.668 123.067 120.400 -0.001 0.000 2.414 228 D HA -0.142 4.497 4.640 -0.001 0.000 0.259 228 D C 0.534 176.833 176.300 -0.001 0.000 1.269 228 D CA -0.345 53.654 54.000 -0.001 0.000 1.028 228 D CB 0.595 41.394 40.800 -0.001 0.000 1.093 228 D HN -0.123 8.246 8.370 -0.001 0.000 0.545 229 G N -0.281 108.518 108.800 -0.001 0.000 2.246 229 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.196 229 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.196 229 G C -1.556 173.344 174.900 -0.001 0.000 1.180 229 G CA -0.353 44.746 45.100 -0.001 0.000 1.291 229 G HN -0.001 8.289 8.290 -0.001 0.000 0.508 230 P HA 0.022 4.441 4.420 -0.002 0.000 0.222 230 P C 0.415 177.714 177.300 -0.002 0.000 1.153 230 P CA 0.527 63.625 63.100 -0.002 0.000 0.798 230 P CB 0.615 32.314 31.700 -0.002 0.000 0.796 231 Q N -2.590 117.208 119.800 -0.002 0.000 2.540 231 Q HA -0.478 3.860 4.340 -0.002 0.000 0.186 231 Q C 0.996 176.995 176.000 -0.002 0.000 2.876 231 Q CA 1.906 57.708 55.803 -0.002 0.000 0.213 231 Q CB -1.733 27.004 28.738 -0.002 0.000 0.199 231 Q HN 0.196 8.464 8.270 -0.002 0.000 0.403 232 L N 0.005 121.226 121.223 -0.003 0.000 2.089 232 L HA -0.275 4.063 4.340 -0.003 0.000 0.213 232 L C 2.018 178.886 176.870 -0.004 0.000 1.079 232 L CA 2.772 57.610 54.840 -0.003 0.000 0.758 232 L CB -0.226 41.831 42.059 -0.003 0.000 0.891 232 L HN -0.159 7.990 8.230 -0.002 0.080 0.433 233 L N -1.618 119.603 121.223 -0.003 0.000 2.187 233 L HA -0.370 3.968 4.340 -0.004 0.000 0.213 233 L C 1.445 178.313 176.870 -0.004 0.000 1.100 233 L CA 2.589 57.426 54.840 -0.004 0.000 0.765 233 L CB -0.408 41.649 42.059 -0.003 0.000 0.904 233 L HN -0.199 8.000 8.230 -0.003 0.028 0.437 234 S N -1.752 113.946 115.700 -0.003 0.000 2.603 234 S HA -0.146 4.322 4.470 -0.003 0.000 0.229 234 S C 1.176 175.774 174.600 -0.004 0.000 0.972 234 S CA 2.381 60.579 58.200 -0.003 0.000 0.935 234 S CB -0.394 62.804 63.200 -0.003 0.000 0.769 234 S HN -0.084 8.068 8.310 -0.003 0.156 0.536 235 G N 0.328 109.126 108.800 -0.004 0.000 2.720 235 G HA2 0.074 4.031 3.960 -0.005 0.000 0.204 235 G HA3 0.074 4.031 3.960 -0.005 0.000 0.204 235 G C 0.940 175.836 174.900 -0.006 0.000 1.113 235 G CA 0.379 45.476 45.100 -0.005 0.000 0.805 235 G HN 0.040 8.143 8.290 -0.004 0.185 0.536 236 I N 3.065 123.632 120.570 -0.006 0.000 2.127 236 I HA -0.382 3.783 4.170 -0.007 0.000 0.241 236 I C 1.290 177.402 176.117 -0.007 0.000 1.075 236 I CA 1.641 62.938 61.300 -0.007 0.000 1.334 236 I CB -1.203 36.794 38.000 -0.006 0.000 1.040 236 I HN -0.630 7.577 8.210 -0.005 0.000 0.405 237 V N 0.085 119.995 119.914 -0.007 0.000 2.332 237 V HA -0.520 3.596 4.120 -0.007 0.000 0.248 237 V C 1.688 177.778 176.094 -0.008 0.000 1.055 237 V CA 4.310 66.606 62.300 -0.007 0.000 1.038 237 V CB -0.197 31.622 31.823 -0.005 0.000 0.651 237 V HN -0.274 7.912 8.190 -0.006 0.000 0.450 238 Q N -2.024 117.772 119.800 -0.007 0.000 2.311 238 Q HA -0.274 4.062 4.340 -0.008 0.000 0.203 238 Q C 2.015 178.009 176.000 -0.010 0.000 0.954 238 Q CA 2.414 58.213 55.803 -0.008 0.000 0.885 238 Q CB -0.714 28.020 28.738 -0.006 0.000 0.963 238 Q HN 0.280 8.546 8.270 -0.006 0.000 0.471 239 Q N 1.025 120.819 119.800 -0.010 0.000 1.990 239 Q HA -0.332 4.000 4.340 -0.012 0.000 0.200 239 Q C 2.251 178.242 176.000 -0.014 0.000 0.980 239 Q CA 3.445 59.241 55.803 -0.012 0.000 0.832 239 Q CB -0.403 28.329 28.738 -0.011 0.000 0.897 239 Q HN -0.194 7.949 8.270 -0.009 0.121 0.427 240 Q N -1.682 118.110 119.800 -0.014 0.000 2.234 240 Q HA -0.410 3.919 4.340 -0.019 0.000 0.206 240 Q C 2.440 178.429 176.000 -0.018 0.000 0.980 240 Q CA 2.869 58.663 55.803 -0.017 0.000 0.869 240 Q CB -0.830 27.899 28.738 -0.015 0.000 0.912 240 Q HN -0.274 7.989 8.270 -0.012 0.000 0.436 241 N N 0.703 119.394 118.700 -0.015 0.000 2.120 241 N HA -0.364 4.367 4.740 -0.016 0.000 0.188 241 N C 1.528 177.026 175.510 -0.019 0.000 1.024 241 N CA 3.924 56.965 53.050 -0.015 0.000 0.852 241 N CB 0.122 38.602 38.487 -0.011 0.000 1.003 241 N HN -0.025 8.338 8.380 -0.013 0.009 0.424 242 N N 0.567 119.257 118.700 -0.018 0.000 2.216 242 N HA -0.189 4.539 4.740 -0.020 0.000 0.183 242 N C 2.529 178.022 175.510 -0.028 0.000 1.017 242 N CA 3.218 56.255 53.050 -0.021 0.000 0.861 242 N CB 0.223 38.700 38.487 -0.017 0.000 0.986 242 N HN -0.463 7.826 8.380 -0.016 0.081 0.428 243 L N 0.172 121.378 121.223 -0.028 0.000 2.046 243 L HA -0.296 4.023 4.340 -0.035 0.000 0.208 243 L C 1.944 178.787 176.870 -0.044 0.000 1.077 243 L CA 3.175 57.994 54.840 -0.034 0.000 0.747 243 L CB -0.250 41.791 42.059 -0.029 0.000 0.896 243 L HN 0.408 8.516 8.230 -0.024 0.107 0.432 244 L N -0.584 120.614 121.223 -0.041 0.000 1.989 244 L HA -0.380 3.928 4.340 -0.054 0.000 0.211 244 L C 1.898 178.730 176.870 -0.064 0.000 1.071 244 L CA 3.577 58.388 54.840 -0.049 0.000 0.749 244 L CB -0.826 41.211 42.059 -0.037 0.000 0.890 244 L HN 0.487 8.583 8.230 -0.033 0.114 0.431 245 R N -2.384 118.084 120.500 -0.052 0.000 2.120 245 R HA -0.367 3.935 4.340 -0.064 0.000 0.234 245 R C 2.242 178.491 176.300 -0.085 0.000 1.123 245 R CA 3.614 59.679 56.100 -0.059 0.000 0.975 245 R CB -0.291 29.990 30.300 -0.032 0.000 0.866 245 R HN -0.133 8.114 8.270 -0.039 0.000 0.446 246 A N 0.998 123.774 122.820 -0.073 0.000 1.897 246 A HA -0.143 4.132 4.320 -0.076 0.000 0.215 246 A C 2.099 179.620 177.584 -0.106 0.000 1.181 246 A CA 2.910 54.901 52.037 -0.077 0.000 0.620 246 A CB -0.657 18.310 19.000 -0.054 0.000 0.821 246 A HN -0.010 8.025 8.150 -0.057 0.081 0.443 247 I N -0.234 120.274 120.570 -0.103 0.000 2.226 247 I HA -0.297 3.990 4.170 -0.101 -0.178 0.245 247 I C 2.016 178.025 176.117 -0.181 0.000 1.100 247 I CA 1.846 63.078 61.300 -0.114 0.000 1.374 247 I CB -0.896 37.053 38.000 -0.085 0.000 1.057 247 I HN 0.444 8.496 8.210 -0.085 0.108 0.413 248 E N -0.128 119.935 120.200 -0.229 0.000 2.038 248 E HA -0.411 3.723 4.350 -0.360 0.000 0.195 248 E C 2.125 178.253 176.600 -0.787 0.000 1.000 248 E CA 3.528 59.675 56.400 -0.421 0.000 0.803 248 E CB -0.464 29.056 29.700 -0.299 0.000 0.750 248 E HN -0.004 8.255 8.360 -0.169 0.000 0.448 249 A N -1.213 121.309 122.820 -0.497 0.000 1.908 249 A HA -0.230 3.847 4.320 -0.405 0.000 0.218 249 A C 2.235 179.691 177.584 -0.213 0.000 1.181 249 A CA 3.112 54.946 52.037 -0.339 0.000 0.627 249 A CB -0.394 18.527 19.000 -0.132 0.000 0.818 249 A HN -0.255 7.707 8.150 -0.313 0.000 0.445 250 Q N -3.404 116.294 119.800 -0.170 0.000 2.311 250 Q HA -0.255 4.039 4.340 -0.076 0.000 0.203 250 Q C 2.388 178.323 176.000 -0.108 0.000 0.954 250 Q CA 2.572 58.310 55.803 -0.107 0.000 0.885 250 Q CB -0.375 28.313 28.738 -0.084 0.000 0.963 250 Q HN -0.282 7.880 8.270 -0.179 0.000 0.471 251 Q N -0.693 119.017 119.800 -0.151 0.000 2.297 251 Q HA -0.229 4.065 4.340 -0.078 0.000 0.204 251 Q C 2.600 178.599 176.000 -0.003 0.000 0.962 251 Q CA 2.445 58.190 55.803 -0.097 0.000 0.879 251 Q CB -0.221 28.453 28.738 -0.107 0.000 0.947 251 Q HN -0.048 8.000 8.270 -0.221 0.089 0.462 252 H N 0.131 119.169 119.070 -0.055 0.000 2.333 252 H HA -0.212 4.322 4.556 -0.037 0.000 0.302 252 H C 2.776 178.060 175.328 -0.074 0.000 1.075 252 H CA 1.938 57.959 56.048 -0.046 0.000 1.348 252 H CB 0.398 30.148 29.762 -0.021 0.000 1.393 252 H HN 0.026 8.071 8.280 -0.248 0.086 0.509 253 L N 0.096 121.347 121.223 0.047 0.000 2.131 253 L HA -0.272 4.066 4.340 -0.004 0.000 0.210 253 L C 1.152 177.970 176.870 -0.087 0.000 1.092 253 L CA 2.105 56.934 54.840 -0.018 0.000 0.759 253 L CB -0.445 41.601 42.059 -0.022 0.000 0.903 253 L HN -0.162 8.089 8.230 0.036 0.000 0.435 254 L N -1.713 119.446 121.223 -0.107 0.000 2.043 254 L HA -0.474 3.781 4.340 -0.141 0.000 0.212 254 L C 1.419 178.100 176.870 -0.314 0.000 1.075 254 L CA 3.473 58.215 54.840 -0.164 0.000 0.752 254 L CB -0.559 41.421 42.059 -0.131 0.000 0.891 254 L HN -0.005 8.075 8.230 -0.077 0.103 0.432 255 Q N -2.877 116.683 119.800 -0.399 0.000 2.050 255 Q HA -0.391 3.258 4.340 -1.152 0.000 0.202 255 Q C 2.370 177.684 176.000 -1.143 0.000 0.980 255 Q CA 2.764 58.035 55.803 -0.888 0.000 0.840 255 Q CB -0.900 27.516 28.738 -0.536 0.000 0.898 255 Q HN -0.536 7.575 8.270 -0.235 0.018 0.424 256 L N -1.477 119.456 121.223 -0.484 0.000 2.046 256 L HA -0.175 4.119 4.340 -0.076 0.000 0.208 256 L C 2.706 179.494 176.870 -0.137 0.000 1.077 256 L CA 2.924 57.647 54.840 -0.195 0.000 0.747 256 L CB -1.221 40.819 42.059 -0.032 0.000 0.896 256 L HN -0.560 7.493 8.230 -0.296 0.000 0.432 257 T N -0.240 114.218 114.554 -0.161 0.000 2.857 257 T HA -0.319 4.008 4.350 -0.038 0.000 0.266 257 T C 2.348 176.985 174.700 -0.104 0.000 1.048 257 T CA 3.934 65.978 62.100 -0.094 0.000 1.139 257 T CB 0.037 68.858 68.868 -0.078 0.000 0.874 257 T HN -0.712 7.412 8.240 -0.194 0.000 0.455 258 V N 1.640 121.414 119.914 -0.232 0.000 2.295 258 V HA -0.455 3.615 4.120 -0.083 0.000 0.246 258 V C 1.611 177.730 176.094 0.042 0.000 1.049 258 V CA 4.471 66.658 62.300 -0.188 0.000 1.024 258 V CB -0.646 30.946 31.823 -0.385 0.000 0.648 258 V HN 0.109 8.084 8.190 -0.358 0.000 0.447 259 W N -2.864 118.443 121.300 0.013 0.000 2.468 259 W HA -0.261 4.404 4.660 0.009 0.000 0.262 259 W C 2.128 178.652 176.519 0.008 0.000 1.241 259 W CA 1.339 58.690 57.345 0.010 0.000 1.232 259 W CB -0.762 28.704 29.460 0.010 0.000 1.124 259 W HN 0.654 8.459 8.180 -0.447 0.107 0.597 260 G N -1.544 107.369 108.800 0.189 0.000 2.453 260 G HA2 -0.170 3.860 3.960 0.117 0.000 0.215 260 G HA3 -0.170 3.836 3.960 0.077 0.000 0.215 260 G C 0.559 175.510 174.900 0.084 0.000 1.147 260 G CA 1.475 46.643 45.100 0.112 0.000 0.802 260 G HN -0.605 7.592 8.290 0.122 0.166 0.535 261 I N 2.566 123.182 120.570 0.077 0.000 2.252 261 I HA -0.379 3.819 4.170 0.046 0.000 0.245 261 I C 1.738 177.903 176.117 0.080 0.000 1.102 261 I CA 1.771 63.109 61.300 0.063 0.000 1.385 261 I CB -1.036 36.992 38.000 0.047 0.000 1.064 261 I HN -0.689 7.470 8.210 0.076 0.097 0.414 262 K N -0.741 119.734 120.400 0.124 0.000 2.057 262 K HA -0.215 4.338 4.320 0.092 -0.178 0.207 262 K C 3.039 179.687 176.600 0.080 0.000 1.049 262 K CA 2.324 58.681 56.287 0.117 0.000 0.931 262 K CB -0.995 31.610 32.500 0.175 0.000 0.714 262 K HN -0.316 8.033 8.250 0.166 0.000 0.440 263 Q N -0.226 119.627 119.800 0.088 0.000 2.046 263 Q HA -0.206 4.159 4.340 0.043 0.000 0.200 263 Q C 2.350 178.376 176.000 0.044 0.000 0.975 263 Q CA 2.517 58.355 55.803 0.059 0.000 0.836 263 Q CB -0.562 28.218 28.738 0.070 0.000 0.896 263 Q HN -0.400 7.945 8.270 0.124 0.000 0.428 264 L N -1.101 120.150 121.223 0.046 0.000 2.017 264 L HA -0.410 3.947 4.340 0.029 0.000 0.208 264 L C 2.172 179.059 176.870 0.029 0.000 1.073 264 L CA 3.104 57.964 54.840 0.034 0.000 0.745 264 L CB -0.155 41.923 42.059 0.032 0.000 0.894 264 L HN 0.126 8.390 8.230 0.057 0.000 0.432 265 Q N -1.918 117.902 119.800 0.033 0.000 2.291 265 Q HA -0.283 4.071 4.340 0.022 0.000 0.205 265 Q C 1.264 177.277 176.000 0.023 0.000 0.970 265 Q CA 2.693 58.512 55.803 0.027 0.000 0.876 265 Q CB -0.247 28.509 28.738 0.031 0.000 0.935 265 Q HN 0.154 8.449 8.270 0.041 0.000 0.455 266 A N -0.297 122.537 122.820 0.024 0.000 1.855 266 A HA -0.065 4.263 4.320 0.014 0.000 0.213 266 A C 1.973 179.565 177.584 0.013 0.000 1.195 266 A CA 2.162 54.209 52.037 0.016 0.000 0.610 266 A CB 0.291 19.300 19.000 0.015 0.000 0.837 266 A HN -0.422 7.718 8.150 0.030 0.028 0.444 267 R N -2.005 118.504 120.500 0.015 0.000 2.276 267 R HA -0.120 4.225 4.340 0.009 0.000 0.203 267 R C 2.269 178.575 176.300 0.011 0.000 1.017 267 R CA 2.275 58.382 56.100 0.012 0.000 1.010 267 R CB -0.182 30.126 30.300 0.014 0.000 0.900 267 R HN -0.237 8.045 8.270 0.019 0.000 0.469 268 I N 1.493 122.071 120.570 0.013 0.000 2.567 268 I HA -0.266 3.910 4.170 0.010 0.000 0.257 268 I C 0.927 177.050 176.117 0.009 0.000 1.184 268 I CA 1.151 62.458 61.300 0.011 0.000 1.451 268 I CB -0.741 37.267 38.000 0.012 0.000 1.089 268 I HN -0.046 8.140 8.210 0.015 0.033 0.441 269 L N -3.182 118.046 121.223 0.008 0.000 2.478 269 L HA -0.005 4.514 4.340 0.006 -0.175 0.223 269 L C 1.029 177.902 176.870 0.005 0.000 1.140 269 L CA 1.486 56.330 54.840 0.006 0.000 0.842 269 L CB -0.584 41.478 42.059 0.006 0.000 0.953 269 L HN -0.631 7.563 8.230 0.009 0.042 0.452 270 A N -3.309 119.514 122.820 0.005 0.000 2.267 270 A HA 0.095 4.417 4.320 0.003 0.000 0.213 270 A C 0.542 178.129 177.584 0.005 0.000 1.192 270 A CA 0.798 52.837 52.037 0.004 0.000 0.851 270 A CB 0.461 19.464 19.000 0.004 0.000 0.881 270 A HN -0.126 7.844 8.150 0.007 0.184 0.494 271 V N -0.760 119.158 119.914 0.005 0.000 3.041 271 V HA -0.197 3.926 4.120 0.005 0.000 0.260 271 V C -0.163 175.934 176.094 0.004 0.000 1.105 271 V CA 1.684 63.987 62.300 0.005 0.000 1.125 271 V CB 0.087 31.914 31.823 0.006 0.000 0.730 271 V HN -0.370 7.658 8.190 0.006 0.165 0.479 272 E N 0.000 120.202 120.200 0.004 0.000 2.725 272 E HA 0.000 4.352 4.350 0.003 0.000 0.291 272 E CA 0.000 56.402 56.400 0.004 0.000 0.976 272 E CB 0.000 29.702 29.700 0.004 0.000 0.812 272 E HN 0.000 8.306 8.360 0.004 0.056 0.440