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 3l28_1_C DATA FIRST_RESID 218 DATA SEQUENCE DISAKDLRNI XYDHLPGFGT AFHQLVQVIC KLGKDSNSLD IIHAEFQASL DATA SEQUENCE AEGDSPQCAL IQITKRVPIF QDAAPPVIHI RSRGDIPRAC QKSLRPVPPS DATA SEQUENCE PKIDRGWVCV FQLQDGKTLG LAI 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 218 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 218 D C 0.000 176.300 176.300 -0.001 0.000 2.045 218 D CA 0.000 54.013 54.000 0.021 0.000 0.868 218 D CB 0.000 40.806 40.800 0.010 0.000 0.688 219 I N 1.797 122.355 120.570 -0.021 0.000 2.647 219 I HA 0.482 4.652 4.170 0.000 0.000 0.295 219 I C -0.089 175.984 176.117 -0.072 0.000 1.078 219 I CA -0.147 61.100 61.300 -0.087 0.000 1.048 219 I CB 1.852 39.728 38.000 -0.206 0.000 1.239 219 I HN 0.377 8.587 8.210 -0.000 0.000 0.421 220 S N 5.346 120.996 115.700 -0.082 0.000 2.693 220 S HA 0.688 5.158 4.470 0.000 0.000 0.276 220 S C 1.072 175.625 174.600 -0.079 0.000 1.192 220 S CA -0.057 58.106 58.200 -0.062 0.000 0.994 220 S CB 1.490 64.662 63.200 -0.047 0.000 1.012 220 S HN 0.859 9.169 8.310 -0.000 0.000 0.550 221 A N 0.900 123.686 122.820 -0.058 0.000 1.930 221 A HA -0.030 4.290 4.320 0.000 0.000 0.217 221 A C 2.145 179.681 177.584 -0.080 0.000 1.175 221 A CA 1.538 53.536 52.037 -0.064 0.000 0.627 221 A CB -0.795 18.183 19.000 -0.038 0.000 0.815 221 A HN 0.905 9.055 8.150 -0.000 0.000 0.443 222 K N -0.548 119.819 120.400 -0.056 0.000 2.062 222 K HA -0.152 4.168 4.320 0.000 0.000 0.205 222 K C 1.250 177.808 176.600 -0.070 0.000 1.051 222 K CA 1.467 57.729 56.287 -0.041 0.000 0.941 222 K CB -0.144 32.351 32.500 -0.008 0.000 0.719 222 K HN 0.361 8.611 8.250 -0.000 0.000 0.440 223 D N 0.914 121.263 120.400 -0.084 0.000 2.117 223 D HA -0.157 4.483 4.640 0.000 0.000 0.198 223 D C 1.861 178.063 176.300 -0.163 0.000 0.982 223 D CA 0.732 54.671 54.000 -0.103 0.000 0.828 223 D CB -0.062 40.675 40.800 -0.105 0.000 0.967 223 D HN 0.131 8.501 8.370 -0.000 0.000 0.464 224 L N 1.219 122.317 121.223 -0.208 0.000 2.093 224 L HA -0.071 4.269 4.340 0.000 0.000 0.208 224 L C 2.220 178.888 176.870 -0.336 0.000 1.085 224 L CA 1.390 56.071 54.840 -0.265 0.000 0.755 224 L CB -0.218 41.698 42.059 -0.238 0.000 0.904 224 L HN -0.149 8.081 8.230 -0.000 0.000 0.435 225 R N -0.417 119.865 120.500 -0.363 0.000 2.080 225 R HA -0.164 4.176 4.340 0.000 0.000 0.236 225 R C 2.063 177.830 176.300 -0.890 0.000 1.137 225 R CA 1.865 57.559 56.100 -0.677 0.000 0.943 225 R CB -0.556 29.445 30.300 -0.500 0.000 0.846 225 R HN 0.567 8.837 8.270 -0.000 0.000 0.431 226 N N 0.381 118.869 118.700 -0.354 0.000 2.331 226 N HA -0.037 4.703 4.740 0.000 0.000 0.180 226 N C 1.036 176.523 175.510 -0.039 0.000 1.019 226 N CA 0.461 53.481 53.050 -0.050 0.000 0.881 226 N CB 0.093 38.626 38.487 0.076 0.000 0.972 226 N HN 0.114 8.494 8.380 -0.000 0.000 0.435 230 D N 0.179 120.676 120.400 0.163 0.000 2.264 230 D HA -0.085 4.555 4.640 0.000 0.000 0.208 230 D C 1.285 177.561 176.300 -0.039 0.000 0.966 230 D CA 1.619 55.631 54.000 0.019 0.000 0.864 230 D CB -0.187 40.556 40.800 -0.095 0.000 0.933 230 D HN 0.555 8.925 8.370 -0.000 0.000 0.499 231 H N -0.742 118.415 119.070 0.145 0.000 2.512 231 H HA 0.205 4.761 4.556 0.000 0.000 0.279 231 H C 0.520 175.905 175.328 0.094 0.000 0.999 231 H CA 0.194 56.318 56.048 0.126 0.000 1.283 231 H CB 0.378 30.262 29.762 0.203 0.000 1.421 231 H HN 0.013 8.293 8.280 -0.000 0.000 0.554 232 L N 2.261 123.618 121.223 0.222 0.000 2.322 232 L HA 0.370 4.710 4.340 0.000 0.000 0.279 232 L C -2.119 174.840 176.870 0.148 0.000 1.036 232 L CA -2.285 52.653 54.840 0.163 0.000 0.807 232 L CB 1.460 43.641 42.059 0.203 0.000 1.226 232 L HN 0.008 8.238 8.230 -0.000 0.000 0.433 233 P HA 0.415 4.835 4.420 -0.000 0.000 0.281 233 P C -0.077 177.298 177.300 0.125 0.000 1.264 233 P CA 0.024 63.187 63.100 0.104 0.000 0.824 233 P CB 1.410 33.154 31.700 0.074 0.000 1.092 234 G N 0.011 108.879 108.800 0.113 0.000 2.877 234 G HA2 -0.161 3.799 3.960 0.000 0.000 0.279 234 G HA3 -0.161 3.799 3.960 0.000 0.000 0.279 234 G C -1.445 173.548 174.900 0.155 0.000 1.431 234 G CA -0.466 44.706 45.100 0.121 0.000 0.883 234 G HN 0.602 8.892 8.290 -0.000 0.000 0.547 235 F N 0.581 120.501 119.950 -0.050 0.000 2.532 235 F HA 0.588 5.115 4.527 -0.000 0.000 0.321 235 F C 0.998 176.705 175.800 -0.156 0.000 1.089 235 F CA 0.755 58.662 58.000 -0.155 0.000 0.926 235 F CB 1.868 40.781 39.000 -0.145 0.000 1.168 235 F HN 2.165 10.465 8.300 -0.000 0.000 0.459 236 G N 2.789 110.992 108.800 -0.995 0.000 2.221 236 G HA2 -0.213 3.747 3.960 0.000 0.000 0.265 236 G HA3 -0.213 3.747 3.960 0.000 0.000 0.265 236 G C -0.084 174.682 174.900 -0.224 0.000 1.041 236 G CA 0.372 45.106 45.100 -0.610 0.000 0.807 236 G HN 1.092 9.382 8.290 -0.000 0.000 0.502 237 T N -3.677 110.797 114.554 -0.133 0.000 2.927 237 T HA 0.788 5.138 4.350 0.000 0.000 0.281 237 T C 1.714 176.458 174.700 0.075 0.000 0.998 237 T CA 0.301 62.418 62.100 0.028 0.000 1.019 237 T CB 1.873 70.811 68.868 0.116 0.000 1.061 237 T HN 1.338 9.578 8.240 -0.000 0.000 0.518 238 A N 0.676 123.527 122.820 0.052 0.000 1.908 238 A HA 0.034 4.354 4.320 0.000 0.000 0.218 238 A C 1.881 179.439 177.584 -0.043 0.000 1.181 238 A CA 1.299 53.321 52.037 -0.025 0.000 0.627 238 A CB -1.241 17.675 19.000 -0.140 0.000 0.818 238 A HN 0.792 8.942 8.150 -0.000 0.000 0.445 239 F N -0.886 119.109 119.950 0.075 0.000 2.186 239 F HA -0.126 4.401 4.527 0.000 0.000 0.299 239 F C 2.406 178.278 175.800 0.120 0.000 1.090 239 F CA 1.523 59.571 58.000 0.080 0.000 1.307 239 F CB -0.496 38.550 39.000 0.077 0.000 1.019 239 F HN 0.449 8.749 8.300 -0.000 0.000 0.489 240 H N 0.105 119.311 119.070 0.228 0.000 2.353 240 H HA -0.191 4.366 4.556 0.000 0.000 0.300 240 H C 2.182 177.608 175.328 0.164 0.000 1.090 240 H CA 2.008 58.170 56.048 0.190 0.000 1.327 240 H CB -0.142 29.616 29.762 -0.006 0.000 1.383 240 H HN 0.238 8.518 8.280 -0.000 0.000 0.508 241 Q N 0.501 120.460 119.800 0.266 0.000 2.124 241 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 241 Q C 2.452 178.506 176.000 0.090 0.000 0.977 241 Q CA 1.245 57.150 55.803 0.170 0.000 0.850 241 Q CB -0.537 28.272 28.738 0.119 0.000 0.901 241 Q HN 0.404 8.674 8.270 -0.000 0.000 0.429 242 L N -0.638 120.624 121.223 0.064 0.000 2.083 242 L HA -0.122 4.218 4.340 0.000 0.000 0.209 242 L C 2.023 178.910 176.870 0.027 0.000 1.083 242 L CA 1.454 56.311 54.840 0.027 0.000 0.752 242 L CB -0.729 41.332 42.059 0.004 0.000 0.899 242 L HN 0.153 8.383 8.230 -0.000 0.000 0.433 243 V N -0.233 119.699 119.914 0.029 0.000 2.255 243 V HA -0.373 3.747 4.120 0.000 0.000 0.247 243 V C 2.575 178.616 176.094 -0.088 0.000 1.051 243 V CA 2.237 64.484 62.300 -0.088 0.000 1.018 243 V CB -0.754 30.950 31.823 -0.199 0.000 0.641 243 V HN 0.582 8.772 8.190 -0.000 0.000 0.445 244 Q N -0.585 119.209 119.800 -0.009 0.000 2.061 244 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 244 Q C 2.342 178.357 176.000 0.026 0.000 0.984 244 Q CA 1.931 57.751 55.803 0.027 0.000 0.846 244 Q CB -0.488 28.310 28.738 0.101 0.000 0.902 244 Q HN 0.543 8.813 8.270 -0.000 0.000 0.421 245 V N 1.255 121.192 119.914 0.037 0.000 2.287 245 V HA -0.274 3.846 4.120 0.000 0.000 0.248 245 V C 2.193 178.351 176.094 0.107 0.000 1.053 245 V CA 1.713 64.047 62.300 0.056 0.000 1.027 245 V CB -0.481 31.371 31.823 0.048 0.000 0.646 245 V HN 0.346 8.536 8.190 -0.000 0.000 0.447 246 I N -0.798 119.830 120.570 0.098 0.000 2.226 246 I HA -0.272 3.898 4.170 0.000 0.000 0.245 246 I C 2.493 178.697 176.117 0.145 0.000 1.100 246 I CA 1.526 62.933 61.300 0.179 0.000 1.374 246 I CB -0.403 37.606 38.000 0.016 0.000 1.057 246 I HN 0.369 8.579 8.210 -0.000 0.000 0.413 247 C N 0.335 119.649 119.300 0.024 0.000 2.450 247 C HA -0.111 4.349 4.460 0.000 0.000 0.279 247 C C 2.807 177.798 174.990 0.002 0.000 1.335 247 C CA 0.531 59.540 59.018 -0.015 0.000 1.749 247 C CB -0.787 26.898 27.740 -0.090 0.000 1.963 247 C HN 0.436 8.666 8.230 -0.000 0.000 0.501 248 K N 0.606 121.014 120.400 0.013 0.000 2.025 248 K HA -0.143 4.177 4.320 0.000 0.000 0.207 248 K C 1.977 178.576 176.600 -0.002 0.000 1.049 248 K CA 1.237 57.528 56.287 0.008 0.000 0.933 248 K CB -0.314 32.195 32.500 0.015 0.000 0.714 248 K HN 0.326 8.576 8.250 -0.000 0.000 0.438 249 L N 0.962 122.189 121.223 0.007 0.000 2.156 249 L HA 0.036 4.376 4.340 0.000 0.000 0.208 249 L C 2.115 178.928 176.870 -0.095 0.000 1.095 249 L CA 1.971 56.776 54.840 -0.060 0.000 0.770 249 L CB -0.881 41.121 42.059 -0.095 0.000 0.914 249 L HN 0.283 8.513 8.230 -0.000 0.000 0.439 250 G N -0.748 108.040 108.800 -0.019 0.000 2.422 250 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 250 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 250 G C 1.717 176.603 174.900 -0.023 0.000 1.146 250 G CA 0.850 45.946 45.100 -0.008 0.000 0.769 250 G HN 0.434 8.724 8.290 -0.000 0.000 0.547 251 K N 0.292 120.680 120.400 -0.020 0.000 2.025 251 K HA -0.098 4.222 4.320 0.000 0.000 0.207 251 K C 1.823 178.406 176.600 -0.029 0.000 1.049 251 K CA 1.512 57.786 56.287 -0.022 0.000 0.933 251 K CB -0.123 32.366 32.500 -0.018 0.000 0.714 251 K HN 0.088 8.338 8.250 -0.000 0.000 0.438 252 D N 0.135 120.513 120.400 -0.037 0.000 2.264 252 D HA -0.087 4.553 4.640 0.000 0.000 0.208 252 D C 1.493 177.762 176.300 -0.053 0.000 0.966 252 D CA 1.215 55.190 54.000 -0.041 0.000 0.864 252 D CB 0.185 40.960 40.800 -0.042 0.000 0.933 252 D HN 0.314 8.684 8.370 -0.000 0.000 0.499 253 S N -0.468 115.189 115.700 -0.071 0.000 2.554 253 S HA 0.039 4.509 4.470 0.000 0.000 0.226 253 S C 0.230 174.796 174.600 -0.056 0.000 0.980 253 S CA -0.524 57.627 58.200 -0.081 0.000 0.939 253 S CB -0.001 63.116 63.200 -0.139 0.000 0.832 253 S HN -0.022 8.288 8.310 -0.000 0.000 0.486 254 N N 1.879 120.556 118.700 -0.038 0.000 2.714 254 N HA -0.132 4.608 4.740 0.000 0.000 0.253 254 N C 0.065 175.567 175.510 -0.013 0.000 1.024 254 N CA 1.149 54.187 53.050 -0.021 0.000 0.726 254 N CB -1.959 36.518 38.487 -0.017 0.000 0.908 254 N HN 0.825 9.205 8.380 -0.000 0.000 0.542 255 S N -2.504 113.190 115.700 -0.009 0.000 3.073 255 S HA 0.312 4.782 4.470 0.000 0.000 0.252 255 S C 1.207 175.834 174.600 0.045 0.000 0.953 255 S CA -0.610 57.599 58.200 0.015 0.000 1.105 255 S CB -0.006 63.196 63.200 0.002 0.000 1.070 255 S HN 0.232 8.542 8.310 -0.000 0.000 0.574 256 L N 1.149 122.391 121.223 0.032 0.000 2.083 256 L HA -0.044 4.296 4.340 0.000 0.000 0.209 256 L C 2.098 179.015 176.870 0.078 0.000 1.083 256 L CA 1.420 56.284 54.840 0.039 0.000 0.752 256 L CB -0.398 41.662 42.059 0.002 0.000 0.899 256 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 257 D N -0.175 120.269 120.400 0.075 0.000 2.149 257 D HA -0.134 4.506 4.640 0.000 0.000 0.201 257 D C 2.090 178.454 176.300 0.107 0.000 0.972 257 D CA 1.099 55.164 54.000 0.109 0.000 0.835 257 D CB 0.244 41.089 40.800 0.075 0.000 0.966 257 D HN 0.249 8.619 8.370 -0.000 0.000 0.476 258 I N 0.877 121.497 120.570 0.082 0.000 2.500 258 I HA -0.115 4.055 4.170 0.000 0.000 0.252 258 I C 2.141 178.316 176.117 0.096 0.000 1.142 258 I CA 0.608 61.952 61.300 0.074 0.000 1.451 258 I CB 0.092 38.130 38.000 0.062 0.000 1.093 258 I HN -0.110 8.100 8.210 -0.000 0.000 0.430 259 I N -0.459 120.185 120.570 0.123 0.000 2.286 259 I HA -0.304 3.866 4.170 0.000 0.000 0.245 259 I C 2.532 178.746 176.117 0.161 0.000 1.104 259 I CA 1.399 62.783 61.300 0.140 0.000 1.397 259 I CB -0.655 37.433 38.000 0.146 0.000 1.072 259 I HN 0.341 8.551 8.210 -0.000 0.000 0.417 260 H N 1.177 120.278 119.070 0.052 0.000 2.387 260 H HA -0.144 4.412 4.556 0.000 0.000 0.299 260 H C 2.214 177.607 175.328 0.108 0.000 1.090 260 H CA 1.404 57.490 56.048 0.065 0.000 1.332 260 H CB 0.353 30.131 29.762 0.028 0.000 1.386 260 H HN 0.343 8.623 8.280 -0.000 0.000 0.516 261 A N 1.007 123.797 122.820 -0.049 0.000 1.898 261 A HA -0.127 4.193 4.320 0.000 0.000 0.216 261 A C 2.246 179.797 177.584 -0.054 0.000 1.181 261 A CA 1.407 53.375 52.037 -0.115 0.000 0.620 261 A CB -0.307 18.668 19.000 -0.041 0.000 0.819 261 A HN 0.574 8.724 8.150 -0.000 0.000 0.442 262 E N -1.510 118.700 120.200 0.017 0.000 2.107 262 E HA -0.103 4.247 4.350 0.000 0.000 0.191 262 E C 1.719 178.335 176.600 0.027 0.000 0.982 262 E CA 0.909 57.321 56.400 0.020 0.000 0.809 262 E CB -0.220 29.506 29.700 0.043 0.000 0.756 262 E HN 0.673 9.033 8.360 -0.000 0.000 0.459 263 F N 2.055 121.961 119.950 -0.072 0.000 2.102 263 F HA -0.254 4.274 4.527 0.000 0.000 0.298 263 F C 2.473 178.200 175.800 -0.122 0.000 1.105 263 F CA 1.714 59.662 58.000 -0.087 0.000 1.239 263 F CB -0.034 38.937 39.000 -0.048 0.000 0.991 263 F HN -0.084 8.216 8.300 -0.000 0.000 0.474 264 Q N 0.407 120.163 119.800 -0.073 0.000 2.119 264 Q HA -0.035 4.305 4.340 0.000 0.000 0.201 264 Q C 2.188 178.073 176.000 -0.191 0.000 0.972 264 Q CA 1.704 57.405 55.803 -0.170 0.000 0.847 264 Q CB -0.586 28.067 28.738 -0.141 0.000 0.903 264 Q HN 0.472 8.742 8.270 -0.000 0.000 0.433 265 A N -0.885 121.847 122.820 -0.147 0.000 1.930 265 A HA -0.137 4.184 4.320 0.000 0.000 0.217 265 A C 2.266 179.763 177.584 -0.146 0.000 1.175 265 A CA 1.659 53.624 52.037 -0.120 0.000 0.627 265 A CB -0.615 18.336 19.000 -0.082 0.000 0.815 265 A HN 0.366 8.516 8.150 -0.000 0.000 0.443 266 S N 0.062 115.649 115.700 -0.188 0.000 2.348 266 S HA -0.112 4.358 4.470 0.000 0.000 0.221 266 S C 1.837 176.282 174.600 -0.259 0.000 1.033 266 S CA 1.500 59.574 58.200 -0.210 0.000 1.010 266 S CB -0.505 62.556 63.200 -0.232 0.000 0.891 266 S HN 0.516 8.826 8.310 -0.000 0.000 0.442 267 L N 1.121 122.113 121.223 -0.385 0.000 2.079 267 L HA -0.156 4.184 4.340 0.000 0.000 0.210 267 L C 2.665 179.409 176.870 -0.209 0.000 1.081 267 L CA 1.232 55.855 54.840 -0.362 0.000 0.752 267 L CB -0.634 41.122 42.059 -0.505 0.000 0.896 267 L HN 0.335 8.565 8.230 -0.000 0.000 0.433 268 A N -0.529 122.188 122.820 -0.172 0.000 2.119 268 A HA -0.143 4.177 4.320 0.000 0.000 0.217 268 A C 1.901 179.431 177.584 -0.091 0.000 1.153 268 A CA 1.116 53.087 52.037 -0.109 0.000 0.692 268 A CB -0.276 18.669 19.000 -0.091 0.000 0.799 268 A HN 0.452 8.602 8.150 -0.000 0.000 0.458 269 E N -1.506 118.632 120.200 -0.104 0.000 2.463 269 E HA 0.314 4.665 4.350 0.000 0.000 0.193 269 E C 0.908 177.459 176.600 -0.082 0.000 1.041 269 E CA 0.273 56.623 56.400 -0.083 0.000 0.879 269 E CB 0.113 29.765 29.700 -0.080 0.000 0.997 269 E HN 0.658 9.018 8.360 -0.000 0.000 0.478 270 G N 1.907 110.650 108.800 -0.095 0.000 2.132 270 G HA2 -0.205 3.755 3.960 0.000 0.000 0.234 270 G HA3 -0.205 3.755 3.960 0.000 0.000 0.234 270 G C -0.468 174.373 174.900 -0.098 0.000 0.989 270 G CA -0.172 44.877 45.100 -0.085 0.000 0.676 270 G HN 0.197 8.487 8.290 -0.000 0.000 0.522 271 D N 1.113 121.434 120.400 -0.131 0.000 2.345 271 D HA 0.497 5.137 4.640 0.000 0.000 0.247 271 D C 1.173 177.373 176.300 -0.166 0.000 1.108 271 D CA 0.668 54.582 54.000 -0.143 0.000 0.894 271 D CB 1.241 41.938 40.800 -0.170 0.000 1.203 271 D HN 0.525 8.895 8.370 -0.000 0.000 0.430 272 S N 1.928 117.545 115.700 -0.139 0.000 2.579 272 S HA 0.164 4.634 4.470 0.000 0.000 0.275 272 S C -1.799 172.682 174.600 -0.198 0.000 1.345 272 S CA -0.956 57.156 58.200 -0.146 0.000 1.031 272 S CB 1.310 64.437 63.200 -0.122 0.000 0.892 272 S HN 0.171 8.481 8.310 -0.000 0.000 0.529 273 P HA -0.102 4.318 4.420 -0.000 0.000 0.216 273 P C 1.337 178.559 177.300 -0.129 0.000 1.150 273 P CA 1.173 64.169 63.100 -0.173 0.000 0.837 273 P CB -0.003 31.693 31.700 -0.006 0.000 0.786 274 Q N -1.191 118.425 119.800 -0.307 0.000 2.061 274 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 274 Q C 2.385 178.256 176.000 -0.214 0.000 0.984 274 Q CA 1.693 57.123 55.803 -0.621 0.000 0.846 274 Q CB -1.570 26.585 28.738 -0.972 0.000 0.902 274 Q HN 0.277 8.547 8.270 -0.000 0.000 0.421 275 C N 0.074 119.288 119.300 -0.142 0.000 2.440 275 C HA 0.017 4.477 4.460 0.000 0.000 0.278 275 C C 2.700 177.662 174.990 -0.046 0.000 1.295 275 C CA 0.856 59.838 59.018 -0.060 0.000 1.738 275 C CB -1.145 26.548 27.740 -0.077 0.000 1.987 275 C HN 0.577 8.807 8.230 -0.000 0.000 0.492 276 A N 0.280 123.045 122.820 -0.090 0.000 1.933 276 A HA -0.021 4.299 4.320 0.000 0.000 0.218 276 A C 2.203 179.848 177.584 0.102 0.000 1.175 276 A CA 1.701 53.688 52.037 -0.084 0.000 0.628 276 A CB -0.613 18.162 19.000 -0.375 0.000 0.814 276 A HN 0.677 8.827 8.150 -0.000 0.000 0.444 277 L N -0.352 120.970 121.223 0.164 0.000 2.056 277 L HA -0.137 4.203 4.340 0.000 0.000 0.207 277 L C 2.331 179.236 176.870 0.057 0.000 1.078 277 L CA 0.667 55.604 54.840 0.160 0.000 0.749 277 L CB -0.389 41.803 42.059 0.220 0.000 0.901 277 L HN 0.295 8.525 8.230 -0.000 0.000 0.433 278 I N -0.340 120.285 120.570 0.092 0.000 2.286 278 I HA -0.281 3.889 4.170 0.000 0.000 0.248 278 I C 2.521 178.616 176.117 -0.037 0.000 1.115 278 I CA 1.350 62.668 61.300 0.029 0.000 1.392 278 I CB -1.015 37.028 38.000 0.072 0.000 1.065 278 I HN 0.336 8.546 8.210 -0.000 0.000 0.418 279 Q N 0.987 120.774 119.800 -0.021 0.000 2.124 279 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 279 Q C 2.195 178.164 176.000 -0.051 0.000 0.977 279 Q CA 1.449 57.234 55.803 -0.031 0.000 0.850 279 Q CB -0.291 28.432 28.738 -0.026 0.000 0.901 279 Q HN 0.497 8.767 8.270 -0.000 0.000 0.429 280 I N -0.139 120.388 120.570 -0.073 0.000 2.163 280 I HA -0.337 3.833 4.170 0.000 0.000 0.243 280 I C 2.227 178.137 176.117 -0.345 0.000 1.085 280 I CA 1.792 63.009 61.300 -0.138 0.000 1.347 280 I CB -0.686 37.228 38.000 -0.144 0.000 1.044 280 I HN 0.377 8.587 8.210 -0.000 0.000 0.408 281 T N -1.690 112.570 114.554 -0.490 0.000 2.929 281 T HA -0.158 4.192 4.350 0.000 0.000 0.271 281 T C 1.759 176.376 174.700 -0.139 0.000 1.085 281 T CA 1.121 62.866 62.100 -0.592 0.000 1.125 281 T CB -0.213 68.418 68.868 -0.395 0.000 0.874 281 T HN 0.323 8.563 8.240 -0.000 0.000 0.494 282 K N 0.081 120.437 120.400 -0.073 0.000 2.242 282 K HA 0.259 4.579 4.320 0.000 0.000 0.200 282 K C 2.640 179.264 176.600 0.041 0.000 1.050 282 K CA 0.344 56.633 56.287 0.004 0.000 0.981 282 K CB 0.205 32.701 32.500 -0.007 0.000 0.795 282 K HN 0.255 8.505 8.250 -0.000 0.000 0.477 283 R N 0.041 120.564 120.500 0.038 0.000 2.221 283 R HA 0.154 4.494 4.340 0.000 0.000 0.195 283 R C 0.019 176.381 176.300 0.104 0.000 0.956 283 R CA -0.009 56.125 56.100 0.057 0.000 1.064 283 R CB 0.683 31.002 30.300 0.031 0.000 1.049 283 R HN -0.120 8.150 8.270 -0.000 0.000 0.534 284 V N 3.734 123.753 119.914 0.174 0.000 2.470 284 V HA 0.056 4.176 4.120 0.000 0.000 0.276 284 V C -1.581 174.666 176.094 0.255 0.000 1.040 284 V CA -0.971 61.480 62.300 0.252 0.000 1.008 284 V CB 1.316 33.377 31.823 0.398 0.000 0.990 284 V HN 0.039 8.229 8.190 -0.000 0.000 0.477 285 P HA -0.193 4.227 4.420 -0.000 0.000 0.217 285 P C 1.645 178.949 177.300 0.007 0.000 1.148 285 P CA 1.030 64.165 63.100 0.060 0.000 0.834 285 P CB 0.188 31.904 31.700 0.027 0.000 0.783 286 I N -2.051 118.463 120.570 -0.092 0.000 2.493 286 I HA -0.143 4.027 4.170 0.000 0.000 0.254 286 I C 1.433 177.363 176.117 -0.310 0.000 1.160 286 I CA 1.273 62.413 61.300 -0.267 0.000 1.445 286 I CB -0.620 37.119 38.000 -0.435 0.000 1.086 286 I HN -0.195 8.015 8.210 -0.000 0.000 0.433 287 F N -0.196 119.762 119.950 0.012 0.000 2.780 287 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 287 F C 2.396 178.207 175.800 0.018 0.000 1.146 287 F CA 0.595 58.604 58.000 0.016 0.000 1.428 287 F CB -0.765 38.247 39.000 0.019 0.000 1.115 287 F HN 0.166 8.466 8.300 -0.000 0.000 0.583 288 Q N 0.603 120.491 119.800 0.146 0.000 2.096 288 Q HA -0.270 4.070 4.340 0.000 0.000 0.204 288 Q C 0.880 176.922 176.000 0.070 0.000 0.982 288 Q CA 2.132 57.993 55.803 0.096 0.000 0.850 288 Q CB -0.099 28.675 28.738 0.061 0.000 0.901 288 Q HN 0.325 8.595 8.270 -0.000 0.000 0.422 289 D N -1.173 119.254 120.400 0.044 0.000 2.479 289 D HA 0.245 4.885 4.640 0.000 0.000 0.218 289 D C -1.115 175.200 176.300 0.024 0.000 1.177 289 D CA 0.041 54.058 54.000 0.028 0.000 0.830 289 D CB 0.537 41.342 40.800 0.008 0.000 1.014 289 D HN 0.325 8.694 8.370 -0.000 0.000 0.503 290 A N 0.620 123.466 122.820 0.044 0.000 2.404 290 A HA 0.633 4.953 4.320 0.000 0.000 0.273 290 A C 0.499 178.123 177.584 0.066 0.000 1.144 290 A CA -0.162 51.899 52.037 0.039 0.000 0.806 290 A CB 0.235 19.266 19.000 0.051 0.000 1.080 290 A HN 0.289 8.439 8.150 -0.000 0.000 0.509 291 A N 5.140 127.979 122.820 0.032 0.000 2.316 291 A HA 0.717 5.037 4.320 0.000 0.000 0.284 291 A C -2.144 175.457 177.584 0.028 0.000 1.115 291 A CA -1.669 50.383 52.037 0.025 0.000 0.812 291 A CB -0.069 18.926 19.000 -0.009 0.000 1.064 291 A HN 0.697 8.847 8.150 -0.000 0.000 0.489 292 P HA 0.196 4.616 4.420 -0.000 0.000 0.269 292 P C -2.573 174.710 177.300 -0.028 0.000 1.209 292 P CA -0.773 62.340 63.100 0.021 0.000 0.776 292 P CB -0.329 31.389 31.700 0.030 0.000 0.876 293 P HA 0.083 4.503 4.420 -0.000 0.000 0.272 293 P C -0.581 176.642 177.300 -0.128 0.000 1.223 293 P CA -0.009 63.053 63.100 -0.063 0.000 0.784 293 P CB 0.489 32.160 31.700 -0.049 0.000 0.923 294 V N 4.069 123.908 119.914 -0.126 0.000 2.370 294 V HA 0.269 4.389 4.120 0.000 0.000 0.279 294 V C 0.624 176.572 176.094 -0.244 0.000 1.029 294 V CA -0.462 61.702 62.300 -0.226 0.000 0.870 294 V CB 0.720 32.405 31.823 -0.231 0.000 0.984 294 V HN 0.364 8.554 8.190 -0.000 0.000 0.451 295 I N 5.165 125.539 120.570 -0.325 0.000 2.312 295 I HA 0.345 4.516 4.170 0.000 0.000 0.290 295 I C 0.074 176.124 176.117 -0.111 0.000 1.008 295 I CA -0.430 60.765 61.300 -0.176 0.000 1.226 295 I CB 0.585 38.456 38.000 -0.215 0.000 1.371 295 I HN 0.554 8.764 8.210 -0.000 0.000 0.468 296 H N 7.774 126.882 119.070 0.063 0.000 2.723 296 H HA 0.484 5.039 4.556 -0.000 0.000 0.294 296 H C -0.179 175.210 175.328 0.102 0.000 1.079 296 H CA -0.123 55.972 56.048 0.078 0.000 1.411 296 H CB 1.185 30.972 29.762 0.042 0.000 1.439 296 H HN 0.542 8.822 8.280 -0.000 0.000 0.474 297 I N -1.050 119.637 120.570 0.195 0.000 3.145 297 I HA 0.429 4.599 4.170 0.000 0.000 0.313 297 I C 1.233 177.407 176.117 0.095 0.000 1.122 297 I CA -1.295 60.087 61.300 0.137 0.000 0.987 297 I CB 2.560 40.631 38.000 0.118 0.000 1.236 297 I HN 0.264 8.474 8.210 -0.000 0.000 0.453 298 R N 1.418 121.954 120.500 0.060 0.000 2.056 298 R HA 0.072 4.412 4.340 0.000 0.000 0.227 298 R C 0.548 176.864 176.300 0.027 0.000 1.149 298 R CA 1.808 57.933 56.100 0.041 0.000 0.937 298 R CB 0.028 30.345 30.300 0.028 0.000 0.835 298 R HN 0.942 9.212 8.270 -0.000 0.000 0.430 299 S N -2.056 113.648 115.700 0.007 0.000 2.697 299 S HA 0.293 4.763 4.470 0.000 0.000 0.289 299 S C 0.266 174.843 174.600 -0.040 0.000 1.149 299 S CA -0.986 57.209 58.200 -0.008 0.000 0.850 299 S CB 1.756 64.951 63.200 -0.008 0.000 1.151 299 S HN 0.303 8.613 8.310 -0.000 0.000 0.491 300 R N 0.220 120.692 120.500 -0.048 0.000 2.159 300 R HA -0.037 4.303 4.340 0.000 0.000 0.237 300 R C 1.965 178.200 176.300 -0.107 0.000 1.131 300 R CA 1.764 57.813 56.100 -0.085 0.000 0.982 300 R CB -1.114 29.151 30.300 -0.059 0.000 0.868 300 R HN 0.877 9.147 8.270 -0.000 0.000 0.453 301 G N -0.416 108.342 108.800 -0.071 0.000 2.625 301 G HA2 -0.166 3.794 3.960 0.000 0.000 0.214 301 G HA3 -0.166 3.794 3.960 0.000 0.000 0.214 301 G C 0.590 175.446 174.900 -0.074 0.000 1.132 301 G CA 0.502 45.564 45.100 -0.064 0.000 0.782 301 G HN 0.336 8.626 8.290 -0.000 0.000 0.538 302 D N 0.219 120.565 120.400 -0.090 0.000 2.349 302 D HA 0.074 4.714 4.640 0.000 0.000 0.215 302 D C 0.900 177.105 176.300 -0.158 0.000 1.016 302 D CA 0.038 53.988 54.000 -0.083 0.000 0.870 302 D CB 0.597 41.371 40.800 -0.042 0.000 0.917 302 D HN 0.307 8.677 8.370 -0.000 0.000 0.524 303 I N 2.373 122.777 120.570 -0.277 0.000 2.416 303 I HA 0.124 4.294 4.170 0.000 0.000 0.288 303 I C -2.106 173.874 176.117 -0.229 0.000 1.051 303 I CA -1.961 59.072 61.300 -0.444 0.000 1.375 303 I CB 0.798 38.383 38.000 -0.691 0.000 1.407 303 I HN -0.389 7.821 8.210 -0.000 0.000 0.516 304 P HA -0.030 4.390 4.420 -0.000 0.000 0.264 304 P C 0.329 177.583 177.300 -0.077 0.000 1.179 304 P CA 0.124 63.170 63.100 -0.090 0.000 0.763 304 P CB 0.410 32.049 31.700 -0.103 0.000 0.806 305 R N 3.148 123.625 120.500 -0.038 0.000 2.091 305 R HA -0.172 4.168 4.340 0.000 0.000 0.238 305 R C 1.894 178.182 176.300 -0.020 0.000 1.136 305 R CA 1.856 57.940 56.100 -0.026 0.000 0.959 305 R CB -1.275 29.022 30.300 -0.004 0.000 0.856 305 R HN 0.476 8.746 8.270 -0.000 0.000 0.437 306 A N 1.044 123.857 122.820 -0.011 0.000 1.969 306 A HA -0.104 4.216 4.320 0.000 0.000 0.218 306 A C 2.385 179.968 177.584 -0.001 0.000 1.169 306 A CA 1.103 53.141 52.037 0.002 0.000 0.635 306 A CB -0.604 18.404 19.000 0.012 0.000 0.810 306 A HN 0.443 8.593 8.150 -0.000 0.000 0.445 307 C N -0.742 118.549 119.300 -0.015 0.000 2.435 307 C HA -0.077 4.383 4.460 0.000 0.000 0.279 307 C C 2.761 177.747 174.990 -0.007 0.000 1.321 307 C CA 1.008 60.030 59.018 0.007 0.000 1.752 307 C CB -1.266 26.491 27.740 0.029 0.000 1.959 307 C HN 0.643 8.873 8.230 -0.000 0.000 0.500 308 Q N 0.483 120.255 119.800 -0.046 0.000 2.226 308 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 308 Q C 1.990 177.983 176.000 -0.012 0.000 0.975 308 Q CA 1.102 56.876 55.803 -0.048 0.000 0.866 308 Q CB -0.111 28.589 28.738 -0.064 0.000 0.915 308 Q HN 0.674 8.944 8.270 -0.000 0.000 0.440 309 K N 0.225 120.624 120.400 -0.003 0.000 2.439 309 K HA -0.043 4.277 4.320 0.000 0.000 0.197 309 K C 1.215 177.821 176.600 0.011 0.000 1.041 309 K CA 1.127 57.417 56.287 0.005 0.000 0.970 309 K CB 0.278 32.783 32.500 0.008 0.000 0.773 309 K HN 0.092 8.342 8.250 -0.000 0.000 0.479 310 S N -0.083 115.627 115.700 0.017 0.000 2.941 310 S HA 0.266 4.737 4.470 0.000 0.000 0.251 310 S C 0.021 174.659 174.600 0.062 0.000 1.029 310 S CA -0.730 57.481 58.200 0.017 0.000 1.062 310 S CB -0.118 63.071 63.200 -0.019 0.000 0.977 310 S HN -0.005 8.305 8.310 -0.000 0.000 0.552 311 L N 2.155 123.424 121.223 0.077 0.000 2.349 311 L HA 0.557 4.897 4.340 0.000 0.000 0.275 311 L C 0.665 177.617 176.870 0.136 0.000 1.115 311 L CA -0.228 54.687 54.840 0.125 0.000 0.820 311 L CB 0.633 42.743 42.059 0.084 0.000 1.135 311 L HN 0.245 8.475 8.230 -0.000 0.000 0.445 312 R N 2.455 123.080 120.500 0.209 0.000 2.799 312 R HA 0.480 4.820 4.340 0.000 0.000 0.270 312 R C -2.658 173.725 176.300 0.137 0.000 1.010 312 R CA -2.081 54.147 56.100 0.212 0.000 0.916 312 R CB 1.393 31.919 30.300 0.377 0.000 1.228 312 R HN 0.284 8.554 8.270 -0.000 0.000 0.469 313 P HA -0.024 4.396 4.420 -0.000 0.000 0.266 313 P C -0.557 176.656 177.300 -0.145 0.000 1.195 313 P CA -0.090 63.004 63.100 -0.010 0.000 0.768 313 P CB 0.407 32.107 31.700 0.001 0.000 0.838 314 V N 5.943 125.723 119.914 -0.222 0.000 2.521 314 V HA 0.148 4.268 4.120 0.000 0.000 0.286 314 V C -1.317 174.545 176.094 -0.387 0.000 1.034 314 V CA -1.036 61.004 62.300 -0.434 0.000 1.045 314 V CB -0.093 31.545 31.823 -0.308 0.000 0.974 314 V HN 0.628 8.818 8.190 -0.000 0.000 0.480 315 P HA 0.323 4.743 4.420 -0.000 0.000 0.276 315 P C -2.668 174.491 177.300 -0.235 0.000 1.252 315 P CA -1.752 61.170 63.100 -0.297 0.000 0.802 315 P CB -0.019 31.528 31.700 -0.255 0.000 1.035 316 P HA -0.039 4.381 4.420 -0.000 0.000 0.265 316 P C -0.272 176.969 177.300 -0.098 0.000 1.193 316 P CA 0.422 63.463 63.100 -0.098 0.000 0.765 316 P CB -0.064 31.603 31.700 -0.055 0.000 0.823 317 S N 1.292 116.937 115.700 -0.090 0.000 3.356 317 S HA -0.116 4.354 4.470 0.000 0.000 0.376 317 S C -1.736 172.813 174.600 -0.086 0.000 0.924 317 S CA -0.072 58.085 58.200 -0.071 0.000 1.316 317 S CB -1.771 61.408 63.200 -0.035 0.000 0.922 317 S HN 0.549 8.859 8.310 -0.000 0.000 0.553 318 P HA 0.359 4.779 4.420 -0.000 0.000 0.271 318 P C -0.309 176.978 177.300 -0.022 0.000 1.218 318 P CA -0.086 62.887 63.100 -0.212 0.000 0.780 318 P CB 0.661 32.117 31.700 -0.407 0.000 0.901 319 K N 2.274 122.753 120.400 0.133 0.000 2.427 319 K HA 0.349 4.669 4.320 0.000 0.000 0.252 319 K C 1.370 178.128 176.600 0.264 0.000 0.931 319 K CA -0.915 55.476 56.287 0.173 0.000 0.793 319 K CB 2.216 34.803 32.500 0.145 0.000 1.211 319 K HN 0.319 8.569 8.250 -0.000 0.000 0.426 320 I N 0.942 121.630 120.570 0.196 0.000 2.226 320 I HA -0.308 3.862 4.170 0.000 0.000 0.245 320 I C 1.628 177.803 176.117 0.096 0.000 1.100 320 I CA 1.666 63.067 61.300 0.167 0.000 1.374 320 I CB -0.153 37.963 38.000 0.193 0.000 1.057 320 I HN 0.655 8.865 8.210 -0.000 0.000 0.413 321 D N 0.955 121.419 120.400 0.106 0.000 2.378 321 D HA -0.170 4.470 4.640 0.000 0.000 0.222 321 D C 1.685 178.005 176.300 0.034 0.000 0.980 321 D CA 0.825 54.855 54.000 0.051 0.000 0.907 321 D CB -0.364 40.481 40.800 0.076 0.000 0.899 321 D HN 0.316 8.686 8.370 -0.000 0.000 0.527 322 R N -0.549 119.996 120.500 0.075 0.000 2.427 322 R HA 0.381 4.721 4.340 0.000 0.000 0.262 322 R C 0.726 176.948 176.300 -0.130 0.000 0.943 322 R CA 0.346 56.477 56.100 0.052 0.000 1.081 322 R CB 0.637 31.037 30.300 0.167 0.000 1.166 322 R HN 0.261 8.531 8.270 -0.000 0.000 0.534 323 G N 0.519 109.195 108.800 -0.207 0.000 2.135 323 G HA2 -0.188 3.772 3.960 0.000 0.000 0.183 323 G HA3 -0.188 3.772 3.960 0.000 0.000 0.183 323 G C -0.812 173.680 174.900 -0.680 0.000 1.004 323 G CA -0.712 44.110 45.100 -0.463 0.000 0.677 323 G HN 0.269 8.559 8.290 -0.000 0.000 0.512 324 W N 0.160 121.429 121.300 -0.051 0.000 2.336 324 W HA 0.602 5.262 4.660 0.000 0.000 0.315 324 W C 1.062 177.542 176.519 -0.066 0.000 1.016 324 W CA -0.976 56.336 57.345 -0.055 0.000 1.318 324 W CB 1.347 30.783 29.460 -0.039 0.000 1.247 324 W HN -0.032 8.148 8.180 -0.000 0.000 0.414 325 V N 2.225 122.186 119.914 0.079 0.000 2.261 325 V HA -0.215 3.905 4.120 0.000 0.000 0.246 325 V C 1.057 177.156 176.094 0.008 0.000 1.047 325 V CA 1.736 64.040 62.300 0.007 0.000 1.015 325 V CB -0.740 31.056 31.823 -0.046 0.000 0.642 325 V HN 0.780 8.970 8.190 -0.000 0.000 0.446 326 C N -3.168 116.120 119.300 -0.021 0.000 3.314 326 C HA 0.783 5.243 4.460 0.000 0.000 0.344 326 C C -0.830 174.056 174.990 -0.174 0.000 1.461 326 C CA -1.013 57.916 59.018 -0.149 0.000 1.249 326 C CB 1.297 28.837 27.740 -0.334 0.000 1.632 326 C HN -0.021 8.209 8.230 -0.000 0.000 0.452 327 V N 1.152 120.905 119.914 -0.269 0.000 2.448 327 V HA 0.508 4.629 4.120 0.000 0.000 0.295 327 V C -0.828 175.051 176.094 -0.357 0.000 1.025 327 V CA -0.007 62.156 62.300 -0.228 0.000 0.859 327 V CB 1.328 33.046 31.823 -0.175 0.000 0.988 327 V HN 0.737 8.927 8.190 -0.000 0.000 0.431 328 F N 3.279 123.188 119.950 -0.069 0.000 2.405 328 F HA 0.486 5.014 4.527 0.001 0.000 0.355 328 F C 0.443 176.177 175.800 -0.110 0.000 1.121 328 F CA -0.080 57.870 58.000 -0.084 0.000 1.112 328 F CB 1.324 40.300 39.000 -0.039 0.000 1.126 328 F HN 0.436 8.736 8.300 -0.000 0.000 0.481 329 Q N 4.926 124.719 119.800 -0.012 0.000 2.333 329 Q HA 0.513 4.853 4.340 0.000 0.000 0.265 329 Q C -1.055 174.974 176.000 0.049 0.000 0.989 329 Q CA -0.620 55.156 55.803 -0.044 0.000 0.842 329 Q CB 1.096 29.712 28.738 -0.204 0.000 1.262 329 Q HN 0.668 8.938 8.270 -0.000 0.000 0.451 330 L N 2.482 123.743 121.223 0.063 0.000 2.466 330 L HA 0.157 4.497 4.340 0.000 0.000 0.257 330 L C 1.575 178.493 176.870 0.080 0.000 1.189 330 L CA -0.244 54.635 54.840 0.067 0.000 0.813 330 L CB 0.417 42.500 42.059 0.039 0.000 1.118 330 L HN 0.804 9.034 8.230 -0.000 0.000 0.471 331 Q N 0.796 120.638 119.800 0.070 0.000 2.135 331 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 331 Q C 1.175 177.203 176.000 0.047 0.000 0.981 331 Q CA 2.063 57.903 55.803 0.062 0.000 0.856 331 Q CB 0.067 28.831 28.738 0.044 0.000 0.902 331 Q HN 0.851 9.121 8.270 -0.000 0.000 0.425 332 D N -1.811 118.611 120.400 0.036 0.000 2.378 332 D HA 0.011 4.651 4.640 0.000 0.000 0.227 332 D C 1.056 177.372 176.300 0.027 0.000 1.012 332 D CA 0.969 54.984 54.000 0.026 0.000 0.905 332 D CB -0.132 40.679 40.800 0.018 0.000 0.895 332 D HN 0.453 8.823 8.370 -0.000 0.000 0.532 333 G N 0.027 108.849 108.800 0.038 0.000 2.175 333 G HA2 -0.316 3.644 3.960 0.000 0.000 0.244 333 G HA3 -0.316 3.644 3.960 0.000 0.000 0.244 333 G C 0.210 175.124 174.900 0.023 0.000 0.982 333 G CA 0.133 45.255 45.100 0.035 0.000 0.641 333 G HN 0.594 8.884 8.290 -0.000 0.000 0.527 334 K N 1.736 122.148 120.400 0.021 0.000 2.322 334 K HA 0.473 4.793 4.320 0.000 0.000 0.283 334 K C 0.450 177.059 176.600 0.015 0.000 1.042 334 K CA 0.572 56.867 56.287 0.013 0.000 0.958 334 K CB 0.293 32.801 32.500 0.013 0.000 0.984 334 K HN 0.352 8.602 8.250 -0.000 0.000 0.473 335 T N 1.926 116.481 114.554 0.001 0.000 2.823 335 T HA 0.529 4.879 4.350 0.000 0.000 0.279 335 T C -0.325 174.381 174.700 0.009 0.000 0.998 335 T CA -0.952 61.145 62.100 -0.005 0.000 0.994 335 T CB 0.879 69.720 68.868 -0.045 0.000 0.960 335 T HN 0.408 8.648 8.240 -0.000 0.000 0.448 336 L N 2.644 123.902 121.223 0.059 0.000 2.381 336 L HA 0.690 5.030 4.340 0.000 0.000 0.274 336 L C 0.687 177.634 176.870 0.128 0.000 0.988 336 L CA -0.963 53.934 54.840 0.095 0.000 0.824 336 L CB 2.095 44.232 42.059 0.130 0.000 1.263 336 L HN 1.008 9.238 8.230 -0.000 0.000 0.410 337 G N 2.885 111.743 108.800 0.097 0.000 2.320 337 G HA2 0.452 4.412 3.960 0.000 0.000 0.300 337 G HA3 0.452 4.412 3.960 0.000 0.000 0.300 337 G C -0.869 174.263 174.900 0.387 0.000 1.126 337 G CA -0.447 44.743 45.100 0.151 0.000 0.896 337 G HN 0.422 8.712 8.290 -0.000 0.000 0.436 338 L N 3.880 125.308 121.223 0.342 0.000 2.385 338 L HA 0.603 4.943 4.340 0.000 0.000 0.285 338 L C 0.908 177.899 176.870 0.202 0.000 1.125 338 L CA -0.566 54.438 54.840 0.273 0.000 0.890 338 L CB -0.132 42.068 42.059 0.234 0.000 1.251 338 L HN 0.603 8.833 8.230 -0.000 0.000 0.445 339 A N 5.630 128.494 122.820 0.074 0.000 2.425 339 A HA 0.407 4.727 4.320 0.000 0.000 0.242 339 A C 0.653 178.088 177.584 -0.249 0.000 1.077 339 A CA -0.335 51.530 52.037 -0.288 0.000 0.781 339 A CB -0.104 18.670 19.000 -0.377 0.000 1.020 339 A HN 0.863 9.013 8.150 -0.000 0.000 0.494 340 I N 0.000 120.351 120.570 -0.366 0.000 2.984 340 I HA 0.000 4.170 4.170 0.000 0.000 0.288 340 I CA 0.000 61.025 61.300 -0.458 0.000 1.566 340 I CB 0.000 37.691 38.000 -0.515 0.000 1.214 340 I HN 0.000 8.210 8.210 -0.000 0.000 0.494