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 3co2_1_D DATA FIRST_RESID 219 DATA SEQUENCE RRGDFVRNWQ LVAAVPLFQK LGPAVLVEIV RALRARTVPA GAVICRIGEP DATA SEQUENCE GDRMFFVVEG SVSVATPNPV ELGPGAFFGE MALISGEPWS ATVSAATTVS DATA SEQUENCE LLSLHSADFQ MLCSSSPEIA EIFRKTALE 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 219 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 219 R C 0.000 176.336 176.300 0.061 0.000 0.893 219 R CA 0.000 56.126 56.100 0.043 0.000 0.921 219 R CB 0.000 30.325 30.300 0.042 0.000 0.687 220 R N 0.287 120.812 120.500 0.041 0.000 2.148 220 R HA 0.141 4.476 4.340 -0.008 0.000 0.223 220 R C 2.449 178.794 176.300 0.076 0.000 1.088 220 R CA 2.379 58.503 56.100 0.041 0.000 0.985 220 R CB -0.559 29.733 30.300 -0.014 0.000 0.880 220 R HN 1.803 10.073 8.270 -0.000 0.000 0.451 221 G N 0.789 109.624 108.800 0.060 0.000 2.443 221 G HA2 -0.203 3.752 3.960 -0.008 0.000 0.219 221 G HA3 -0.203 3.752 3.960 -0.008 0.000 0.219 221 G C 1.041 175.995 174.900 0.089 0.000 1.131 221 G CA 0.757 45.894 45.100 0.062 0.000 0.775 221 G HN 0.488 8.778 8.290 -0.000 0.000 0.547 222 D N 0.072 120.529 120.400 0.096 0.000 2.117 222 D HA -0.096 4.539 4.640 -0.008 0.000 0.197 222 D C 1.902 178.266 176.300 0.107 0.000 0.987 222 D CA 0.367 54.420 54.000 0.088 0.000 0.829 222 D CB -0.353 40.492 40.800 0.074 0.000 0.961 222 D HN 0.304 8.674 8.370 -0.000 0.000 0.460 223 F N 1.069 121.029 119.950 0.017 0.000 2.126 223 F HA -0.256 4.268 4.527 -0.004 0.000 0.299 223 F C 2.232 178.065 175.800 0.056 0.000 1.096 223 F CA 1.046 59.062 58.000 0.026 0.000 1.255 223 F CB 0.007 39.012 39.000 0.008 0.000 0.997 223 F HN -0.178 8.122 8.300 -0.000 0.000 0.479 224 V N 0.403 120.478 119.914 0.269 0.000 2.295 224 V HA -0.305 3.810 4.120 -0.008 0.000 0.246 224 V C 2.470 178.673 176.094 0.182 0.000 1.049 224 V CA 2.265 64.669 62.300 0.174 0.000 1.024 224 V CB -0.875 30.989 31.823 0.069 0.000 0.648 224 V HN 0.293 8.483 8.190 -0.000 0.000 0.447 225 R N 0.330 120.903 120.500 0.121 0.000 2.115 225 R HA -0.151 4.184 4.340 -0.008 0.000 0.230 225 R C 2.146 178.483 176.300 0.061 0.000 1.111 225 R CA 1.568 57.728 56.100 0.099 0.000 0.976 225 R CB -0.220 30.125 30.300 0.074 0.000 0.870 225 R HN 0.569 8.839 8.270 -0.000 0.000 0.445 226 N N 0.526 119.225 118.700 -0.002 0.000 2.142 226 N HA -0.228 4.507 4.740 -0.008 0.000 0.186 226 N C 1.438 176.862 175.510 -0.144 0.000 1.023 226 N CA 1.246 54.209 53.050 -0.145 0.000 0.852 226 N CB -0.760 37.564 38.487 -0.272 0.000 0.998 226 N HN 0.420 8.800 8.380 -0.000 0.000 0.424 227 W N 2.492 123.666 121.300 -0.210 0.000 2.338 227 W HA -0.182 4.474 4.660 -0.006 0.000 0.304 227 W C 1.839 178.307 176.519 -0.085 0.000 1.212 227 W CA 1.447 58.713 57.345 -0.133 0.000 1.264 227 W CB -0.514 28.939 29.460 -0.011 0.000 1.142 227 W HN 0.219 8.399 8.180 -0.000 0.000 0.512 228 Q N 0.019 119.995 119.800 0.292 0.000 2.084 228 Q HA -0.212 4.123 4.340 -0.008 0.000 0.202 228 Q C 2.435 178.445 176.000 0.018 0.000 0.978 228 Q CA 1.748 57.671 55.803 0.201 0.000 0.844 228 Q CB -0.393 28.475 28.738 0.216 0.000 0.898 228 Q HN 0.121 8.391 8.270 -0.000 0.000 0.426 229 L N -0.174 121.037 121.223 -0.019 0.000 2.017 229 L HA -0.154 4.181 4.340 -0.008 0.000 0.208 229 L C 2.374 179.104 176.870 -0.233 0.000 1.073 229 L CA 1.301 56.112 54.840 -0.049 0.000 0.745 229 L CB -1.134 40.928 42.059 0.005 0.000 0.894 229 L HN 0.208 8.438 8.230 -0.000 0.000 0.432 230 V N 0.177 119.874 119.914 -0.361 0.000 2.295 230 V HA -0.261 3.854 4.120 -0.008 0.000 0.246 230 V C 2.792 178.739 176.094 -0.244 0.000 1.049 230 V CA 1.565 63.653 62.300 -0.353 0.000 1.024 230 V CB -0.983 30.573 31.823 -0.446 0.000 0.648 230 V HN 0.501 8.691 8.190 -0.000 0.000 0.447 231 A N -0.170 122.410 122.820 -0.400 0.000 2.076 231 A HA -0.109 4.206 4.320 -0.008 0.000 0.220 231 A C 2.224 179.718 177.584 -0.150 0.000 1.160 231 A CA 1.925 53.749 52.037 -0.355 0.000 0.653 231 A CB -0.566 18.127 19.000 -0.511 0.000 0.801 231 A HN 0.620 8.770 8.150 -0.000 0.000 0.455 232 A N -0.702 122.036 122.820 -0.137 0.000 2.208 232 A HA 0.384 4.699 4.320 -0.008 0.000 0.209 232 A C 0.793 178.354 177.584 -0.040 0.000 1.161 232 A CA 0.221 52.238 52.037 -0.032 0.000 0.782 232 A CB -0.370 18.674 19.000 0.074 0.000 0.816 232 A HN 0.255 8.405 8.150 -0.000 0.000 0.477 233 V N 1.497 121.266 119.914 -0.241 0.000 2.479 233 V HA 0.066 4.181 4.120 -0.008 0.000 0.281 233 V C -1.294 174.700 176.094 -0.168 0.000 1.031 233 V CA -0.794 61.325 62.300 -0.300 0.000 1.038 233 V CB 0.875 32.287 31.823 -0.686 0.000 0.981 233 V HN 0.262 8.452 8.190 -0.000 0.000 0.478 234 P HA -0.195 4.225 4.420 -0.000 0.000 0.216 234 P C 1.781 179.023 177.300 -0.098 0.000 1.154 234 P CA 0.968 64.039 63.100 -0.049 0.000 0.865 234 P CB 0.160 31.845 31.700 -0.025 0.000 0.789 235 L N -1.903 119.177 121.223 -0.239 0.000 2.265 235 L HA -0.048 4.287 4.340 -0.008 0.000 0.215 235 L C 1.635 178.516 176.870 0.018 0.000 1.117 235 L CA 1.626 56.332 54.840 -0.223 0.000 0.782 235 L CB -0.907 40.877 42.059 -0.458 0.000 0.914 235 L HN -0.062 8.168 8.230 -0.000 0.000 0.441 236 F N -2.217 117.697 119.950 -0.061 0.000 2.641 236 F HA 0.098 4.621 4.527 -0.007 0.000 0.302 236 F C 1.797 177.561 175.800 -0.060 0.000 1.098 236 F CA -0.712 57.251 58.000 -0.062 0.000 1.318 236 F CB 0.151 39.082 39.000 -0.115 0.000 1.035 236 F HN 0.051 8.351 8.300 -0.000 0.000 0.551 237 Q N 1.506 121.374 119.800 0.113 0.000 2.084 237 Q HA -0.154 4.181 4.340 -0.008 0.000 0.202 237 Q C 1.717 177.748 176.000 0.052 0.000 0.978 237 Q CA 1.182 57.020 55.803 0.058 0.000 0.844 237 Q CB -0.317 28.443 28.738 0.037 0.000 0.898 237 Q HN 0.436 8.706 8.270 -0.000 0.000 0.426 238 K N 0.571 121.007 120.400 0.060 0.000 2.520 238 K HA 0.187 4.502 4.320 -0.008 0.000 0.205 238 K C 0.118 176.742 176.600 0.040 0.000 1.035 238 K CA -0.004 56.310 56.287 0.046 0.000 1.188 238 K CB -0.098 32.427 32.500 0.041 0.000 0.894 238 K HN 0.134 8.384 8.250 -0.000 0.000 0.497 239 L N 1.156 122.399 121.223 0.034 0.000 2.282 239 L HA 0.401 4.737 4.340 -0.008 0.000 0.288 239 L C 0.753 177.614 176.870 -0.015 0.000 1.033 239 L CA -0.919 53.919 54.840 -0.002 0.000 0.807 239 L CB 1.434 43.465 42.059 -0.047 0.000 1.209 239 L HN 0.089 8.319 8.230 -0.000 0.000 0.423 240 G N 2.503 111.307 108.800 0.008 0.000 2.621 240 G HA2 0.291 4.246 3.960 -0.008 0.000 0.271 240 G HA3 0.291 4.246 3.960 -0.008 0.000 0.271 240 G C -1.889 173.058 174.900 0.079 0.000 1.236 240 G CA -0.900 44.228 45.100 0.047 0.000 0.958 240 G HN 0.450 8.740 8.290 -0.000 0.000 0.512 241 P HA -0.100 4.320 4.420 -0.000 0.000 0.215 241 P C 2.215 179.726 177.300 0.352 0.000 1.157 241 P CA 2.175 65.554 63.100 0.464 0.000 0.868 241 P CB 0.047 31.975 31.700 0.381 0.000 0.788 242 A N -0.389 122.543 122.820 0.185 0.000 1.873 242 A HA -0.228 4.087 4.320 -0.008 0.000 0.218 242 A C 2.341 179.989 177.584 0.107 0.000 1.193 242 A CA 2.573 54.687 52.037 0.129 0.000 0.629 242 A CB -1.897 17.146 19.000 0.072 0.000 0.826 242 A HN 0.051 8.201 8.150 -0.000 0.000 0.447 243 V N 0.091 120.037 119.914 0.053 0.000 2.255 243 V HA -0.297 3.818 4.120 -0.008 0.000 0.247 243 V C 2.559 178.629 176.094 -0.039 0.000 1.051 243 V CA 2.055 64.349 62.300 -0.010 0.000 1.018 243 V CB -1.020 30.772 31.823 -0.052 0.000 0.641 243 V HN 0.570 8.760 8.190 -0.000 0.000 0.445 244 L N -0.253 120.922 121.223 -0.079 0.000 2.079 244 L HA -0.189 4.146 4.340 -0.008 0.000 0.210 244 L C 2.527 179.401 176.870 0.007 0.000 1.081 244 L CA 1.222 55.922 54.840 -0.233 0.000 0.752 244 L CB -0.732 40.871 42.059 -0.759 0.000 0.896 244 L HN 0.215 8.445 8.230 -0.000 0.000 0.433 245 V N -0.024 120.065 119.914 0.291 0.000 2.255 245 V HA -0.317 3.798 4.120 -0.008 0.000 0.247 245 V C 2.346 178.573 176.094 0.222 0.000 1.051 245 V CA 2.111 64.645 62.300 0.389 0.000 1.018 245 V CB -0.515 31.519 31.823 0.352 0.000 0.641 245 V HN 0.491 8.681 8.190 -0.000 0.000 0.445 246 E N -0.306 119.968 120.200 0.123 0.000 2.204 246 E HA -0.144 4.201 4.350 -0.008 0.000 0.194 246 E C 2.196 178.810 176.600 0.024 0.000 0.989 246 E CA 1.036 57.480 56.400 0.074 0.000 0.824 246 E CB -0.111 29.615 29.700 0.042 0.000 0.756 246 E HN 0.507 8.867 8.360 -0.000 0.000 0.477 247 I N 0.771 121.324 120.570 -0.028 0.000 2.226 247 I HA -0.217 3.948 4.170 -0.008 0.000 0.245 247 I C 2.349 178.394 176.117 -0.119 0.000 1.100 247 I CA 1.115 62.367 61.300 -0.081 0.000 1.374 247 I CB -0.873 36.999 38.000 -0.214 0.000 1.057 247 I HN 0.035 8.245 8.210 -0.000 0.000 0.413 248 V N 1.223 121.046 119.914 -0.152 0.000 2.427 248 V HA -0.240 3.875 4.120 -0.008 0.000 0.248 248 V C 3.219 179.158 176.094 -0.260 0.000 1.051 248 V CA 2.254 64.368 62.300 -0.310 0.000 1.048 248 V CB -1.274 30.257 31.823 -0.486 0.000 0.666 248 V HN 0.509 8.699 8.190 -0.000 0.000 0.456 249 R N 0.182 120.657 120.500 -0.043 0.000 2.148 249 R HA 0.113 4.448 4.340 -0.008 0.000 0.227 249 R C 2.214 178.529 176.300 0.025 0.000 1.103 249 R CA 1.676 57.822 56.100 0.077 0.000 0.983 249 R CB -1.289 29.122 30.300 0.185 0.000 0.874 249 R HN 0.626 8.896 8.270 -0.000 0.000 0.451 250 A N 0.588 123.409 122.820 0.002 0.000 2.016 250 A HA 0.297 4.613 4.320 -0.008 0.000 0.217 250 A C 1.239 178.825 177.584 0.005 0.000 1.162 250 A CA 0.072 52.117 52.037 0.012 0.000 0.662 250 A CB -0.150 18.871 19.000 0.036 0.000 0.812 250 A HN 0.479 8.629 8.150 -0.000 0.000 0.450 251 L N 1.298 122.506 121.223 -0.026 0.000 2.543 251 L HA 0.018 4.353 4.340 -0.008 0.000 0.285 251 L C 0.276 177.155 176.870 0.015 0.000 1.236 251 L CA 0.103 54.937 54.840 -0.010 0.000 0.871 251 L CB 0.201 42.198 42.059 -0.104 0.000 1.121 251 L HN 0.305 8.535 8.230 -0.000 0.000 0.501 252 R N 2.835 123.377 120.500 0.070 0.000 2.445 252 R HA 0.603 4.938 4.340 -0.008 0.000 0.308 252 R C -0.513 175.845 176.300 0.096 0.000 0.961 252 R CA -0.705 55.437 56.100 0.071 0.000 0.862 252 R CB 1.664 32.012 30.300 0.079 0.000 1.144 252 R HN 0.657 8.927 8.270 -0.000 0.000 0.447 253 A N 3.222 126.083 122.820 0.069 0.000 2.331 253 A HA 0.584 4.900 4.320 -0.008 0.000 0.283 253 A C -0.079 177.554 177.584 0.081 0.000 1.142 253 A CA -0.415 51.666 52.037 0.072 0.000 0.812 253 A CB 0.717 19.747 19.000 0.050 0.000 1.074 253 A HN 0.679 8.829 8.150 -0.000 0.000 0.497 254 R N 1.703 122.255 120.500 0.086 0.000 2.518 254 R HA 0.325 4.660 4.340 -0.008 0.000 0.287 254 R C -1.373 174.963 176.300 0.060 0.000 1.135 254 R CA -0.239 55.909 56.100 0.080 0.000 0.967 254 R CB 1.563 31.929 30.300 0.110 0.000 1.212 254 R HN 0.740 9.010 8.270 -0.000 0.000 0.422 255 T N 3.322 117.903 114.554 0.045 0.000 2.794 255 T HA 0.279 4.624 4.350 -0.008 0.000 0.296 255 T C -0.189 174.524 174.700 0.021 0.000 0.949 255 T CA -0.294 61.825 62.100 0.032 0.000 1.101 255 T CB 1.313 70.198 68.868 0.027 0.000 0.905 255 T HN 0.178 8.418 8.240 -0.000 0.000 0.516 256 V N 7.079 126.999 119.914 0.009 0.000 2.409 256 V HA 0.387 4.502 4.120 -0.008 0.000 0.291 256 V C -2.017 174.071 176.094 -0.010 0.000 1.020 256 V CA -2.160 60.135 62.300 -0.008 0.000 0.848 256 V CB 1.537 33.341 31.823 -0.032 0.000 0.990 256 V HN 0.730 8.920 8.190 -0.000 0.000 0.430 257 P HA 0.238 4.658 4.420 -0.000 0.000 0.274 257 P C -0.318 176.970 177.300 -0.020 0.000 1.231 257 P CA -0.184 62.910 63.100 -0.011 0.000 0.790 257 P CB 0.914 32.609 31.700 -0.008 0.000 0.951 258 A N 1.641 124.450 122.820 -0.018 0.000 2.546 258 A HA 0.384 4.699 4.320 -0.008 0.000 0.243 258 A C 1.511 179.078 177.584 -0.028 0.000 1.063 258 A CA 0.980 53.003 52.037 -0.024 0.000 0.757 258 A CB -1.561 17.428 19.000 -0.019 0.000 0.991 258 A HN 0.898 9.048 8.150 -0.000 0.000 0.503 259 G N 1.019 109.796 108.800 -0.038 0.000 2.258 259 G HA2 0.150 4.105 3.960 -0.008 0.000 0.233 259 G HA3 0.150 4.105 3.960 -0.008 0.000 0.233 259 G C 0.647 175.519 174.900 -0.046 0.000 1.006 259 G CA 0.359 45.435 45.100 -0.040 0.000 0.620 259 G HN 2.233 10.523 8.290 -0.000 0.000 0.511 260 A N 0.643 123.436 122.820 -0.046 0.000 2.425 260 A HA 0.667 4.982 4.320 -0.008 0.000 0.249 260 A C 0.782 178.321 177.584 -0.076 0.000 1.084 260 A CA 0.362 52.369 52.037 -0.050 0.000 0.781 260 A CB 0.834 19.811 19.000 -0.040 0.000 1.019 260 A HN 1.186 9.336 8.150 -0.000 0.000 0.490 261 V N 3.590 123.458 119.914 -0.077 0.000 2.637 261 V HA 0.036 4.151 4.120 -0.008 0.000 0.296 261 V C 1.128 177.134 176.094 -0.148 0.000 1.046 261 V CA 0.576 62.811 62.300 -0.108 0.000 1.066 261 V CB 0.814 32.588 31.823 -0.081 0.000 0.968 261 V HN 0.843 9.033 8.190 -0.000 0.000 0.483 262 I N 2.888 123.315 120.570 -0.237 0.000 3.039 262 I HA 0.124 4.289 4.170 -0.008 0.000 0.270 262 I C 0.577 176.440 176.117 -0.423 0.000 1.150 262 I CA 0.681 61.747 61.300 -0.390 0.000 1.448 262 I CB 0.644 38.317 38.000 -0.544 0.000 1.197 262 I HN 0.764 8.974 8.210 -0.000 0.000 0.450 263 C N -0.042 119.013 119.300 -0.408 0.000 2.811 263 C HA 0.576 5.031 4.460 -0.008 0.000 0.352 263 C C -0.320 174.500 174.990 -0.283 0.000 1.098 263 C CA -1.189 57.553 59.018 -0.461 0.000 1.295 263 C CB 1.643 28.663 27.740 -1.200 0.000 1.758 263 C HN 0.118 8.348 8.230 -0.000 0.000 0.488 264 R N 2.096 122.547 120.500 -0.081 0.000 2.459 264 R HA 0.405 4.740 4.340 -0.008 0.000 0.281 264 R C 0.149 176.522 176.300 0.121 0.000 1.050 264 R CA -0.629 55.483 56.100 0.019 0.000 1.055 264 R CB 1.242 31.580 30.300 0.063 0.000 1.045 264 R HN 0.886 9.156 8.270 -0.000 0.000 0.495 265 I N 2.257 122.878 120.570 0.085 0.000 2.598 265 I HA -0.033 4.132 4.170 -0.008 0.000 0.284 265 I C 0.989 177.184 176.117 0.131 0.000 1.140 265 I CA 1.632 63.004 61.300 0.120 0.000 1.420 265 I CB 0.324 38.358 38.000 0.057 0.000 1.387 265 I HN 0.971 9.181 8.210 -0.000 0.000 0.553 266 G N 5.893 114.786 108.800 0.155 0.000 2.179 266 G HA2 -0.243 3.712 3.960 -0.008 0.000 0.260 266 G HA3 -0.243 3.712 3.960 -0.008 0.000 0.260 266 G C 0.267 175.235 174.900 0.114 0.000 0.977 266 G CA 0.084 45.247 45.100 0.106 0.000 0.641 266 G HN 0.685 8.975 8.290 -0.000 0.000 0.533 267 E N 0.920 121.238 120.200 0.197 0.000 2.277 267 E HA 0.387 4.732 4.350 -0.008 0.000 0.274 267 E C -2.441 174.253 176.600 0.156 0.000 1.022 267 E CA -2.087 54.431 56.400 0.196 0.000 0.853 267 E CB 1.161 31.010 29.700 0.248 0.000 1.086 267 E HN 0.045 8.405 8.360 -0.000 0.000 0.397 268 P HA 0.009 4.429 4.420 -0.000 0.000 0.261 268 P C -0.466 176.796 177.300 -0.063 0.000 1.203 268 P CA 0.077 63.165 63.100 -0.020 0.000 0.767 268 P CB 0.332 32.039 31.700 0.012 0.000 0.785 269 G N 3.090 111.665 108.800 -0.374 0.000 2.365 269 G HA2 0.215 4.170 3.960 -0.008 0.000 0.293 269 G HA3 0.215 4.170 3.960 -0.008 0.000 0.293 269 G C 0.290 175.023 174.900 -0.278 0.000 1.128 269 G CA -0.402 44.338 45.100 -0.599 0.000 0.971 269 G HN 0.492 8.782 8.290 -0.000 0.000 0.422 270 D N 1.266 121.610 120.400 -0.093 0.000 2.501 270 D HA 0.077 4.712 4.640 -0.008 0.000 0.224 270 D C 0.698 176.922 176.300 -0.127 0.000 1.202 270 D CA -0.431 53.523 54.000 -0.077 0.000 0.829 270 D CB 0.315 41.104 40.800 -0.018 0.000 1.023 270 D HN 0.640 9.010 8.370 -0.000 0.000 0.499 271 R N -1.516 118.874 120.500 -0.183 0.000 2.690 271 R HA 0.489 4.824 4.340 -0.008 0.000 0.269 271 R C -1.689 174.386 176.300 -0.374 0.000 1.037 271 R CA -0.965 54.940 56.100 -0.326 0.000 0.877 271 R CB 0.869 30.800 30.300 -0.615 0.000 1.255 271 R HN 0.031 8.301 8.270 -0.000 0.000 0.467 272 M N 2.028 121.389 119.600 -0.398 0.000 2.472 272 M HA 0.526 5.001 4.480 -0.008 0.000 0.331 272 M C -1.649 174.264 176.300 -0.645 0.000 1.170 272 M CA -0.660 54.388 55.300 -0.421 0.000 1.009 272 M CB 1.377 33.816 32.600 -0.267 0.000 1.672 272 M HN 0.615 8.905 8.290 -0.000 0.000 0.453 273 F N 2.709 122.327 119.950 -0.553 0.000 2.492 273 F HA 0.606 5.128 4.527 -0.008 0.000 0.327 273 F C -1.106 174.236 175.800 -0.763 0.000 1.079 273 F CA -0.515 57.110 58.000 -0.626 0.000 0.967 273 F CB 1.584 39.963 39.000 -1.036 0.000 1.169 273 F HN 0.382 8.682 8.300 -0.000 0.000 0.472 274 F N 1.495 121.480 119.950 0.058 0.000 2.536 274 F HA 0.450 4.973 4.527 -0.007 0.000 0.322 274 F C -0.689 175.170 175.800 0.098 0.000 1.144 274 F CA -1.047 57.007 58.000 0.091 0.000 0.924 274 F CB 1.743 40.773 39.000 0.050 0.000 1.181 274 F HN -0.039 8.261 8.300 -0.000 0.000 0.438 275 V N 5.261 125.336 119.914 0.269 0.000 2.322 275 V HA 0.098 4.213 4.120 -0.008 0.000 0.258 275 V C 0.679 176.881 176.094 0.180 0.000 1.074 275 V CA -0.081 62.333 62.300 0.190 0.000 0.909 275 V CB 0.621 32.545 31.823 0.168 0.000 1.090 275 V HN 0.813 9.003 8.190 -0.000 0.000 0.486 276 V N 3.733 123.736 119.914 0.149 0.000 2.255 276 V HA 0.040 4.155 4.120 -0.008 0.000 0.243 276 V C 1.273 177.420 176.094 0.089 0.000 1.038 276 V CA 2.109 64.479 62.300 0.117 0.000 1.008 276 V CB -0.169 31.706 31.823 0.088 0.000 0.645 276 V HN 0.931 9.121 8.190 -0.000 0.000 0.449 277 E N -1.405 118.838 120.200 0.072 0.000 2.312 277 E HA 0.586 4.931 4.350 -0.008 0.000 0.267 277 E C 0.160 176.787 176.600 0.045 0.000 0.894 277 E CA -0.156 56.276 56.400 0.054 0.000 0.773 277 E CB 1.391 31.117 29.700 0.044 0.000 1.241 277 E HN 1.332 9.692 8.360 -0.000 0.000 0.432 278 G N 0.040 108.861 108.800 0.034 0.000 2.728 278 G HA2 0.349 4.304 3.960 -0.008 0.000 0.294 278 G HA3 0.349 4.304 3.960 -0.008 0.000 0.294 278 G C 0.341 175.253 174.900 0.020 0.000 1.342 278 G CA 0.329 45.442 45.100 0.022 0.000 0.866 278 G HN 2.046 10.336 8.290 -0.000 0.000 0.534 279 S N -1.683 114.019 115.700 0.004 0.000 2.548 279 S HA 0.890 5.356 4.470 -0.008 0.000 0.286 279 S C -0.244 174.340 174.600 -0.026 0.000 1.098 279 S CA 0.113 58.309 58.200 -0.007 0.000 0.930 279 S CB 1.989 65.181 63.200 -0.014 0.000 1.070 279 S HN 2.307 10.617 8.310 -0.000 0.000 0.480 280 V N -0.460 119.428 119.914 -0.044 0.000 2.715 280 V HA 0.872 4.987 4.120 -0.008 0.000 0.310 280 V C 0.142 176.166 176.094 -0.116 0.000 1.054 280 V CA -0.674 61.577 62.300 -0.083 0.000 0.928 280 V CB 1.274 33.039 31.823 -0.097 0.000 1.007 280 V HN 1.029 9.219 8.190 -0.000 0.000 0.437 281 S N 2.599 118.223 115.700 -0.127 0.000 2.554 281 S HA 0.718 5.183 4.470 -0.008 0.000 0.278 281 S C -0.543 173.948 174.600 -0.180 0.000 1.242 281 S CA -0.438 57.684 58.200 -0.131 0.000 1.051 281 S CB 1.207 64.346 63.200 -0.102 0.000 0.986 281 S HN 1.004 9.314 8.310 -0.000 0.000 0.502 282 V N 4.049 123.860 119.914 -0.172 0.000 2.407 282 V HA 0.613 4.728 4.120 -0.008 0.000 0.291 282 V C 0.307 176.317 176.094 -0.139 0.000 1.018 282 V CA -0.868 61.313 62.300 -0.199 0.000 0.842 282 V CB 0.995 32.682 31.823 -0.226 0.000 0.996 282 V HN 1.045 9.235 8.190 -0.000 0.000 0.426 283 A N 4.355 127.098 122.820 -0.128 0.000 2.671 283 A HA 0.659 4.974 4.320 -0.008 0.000 0.306 283 A C 0.512 178.052 177.584 -0.074 0.000 1.473 283 A CA -0.014 51.969 52.037 -0.089 0.000 1.155 283 A CB -0.467 18.486 19.000 -0.078 0.000 1.123 283 A HN 0.821 8.971 8.150 -0.000 0.000 0.545 284 T N 0.663 115.176 114.554 -0.068 0.000 2.864 284 T HA 0.691 5.036 4.350 -0.008 0.000 0.289 284 T C -0.571 174.102 174.700 -0.044 0.000 1.082 284 T CA -0.069 61.998 62.100 -0.055 0.000 1.009 284 T CB 0.963 69.793 68.868 -0.064 0.000 1.234 284 T HN 0.155 8.395 8.240 -0.000 0.000 0.526 285 P HA 0.010 4.430 4.420 -0.000 0.000 0.218 285 P C 0.381 177.661 177.300 -0.033 0.000 1.150 285 P CA 2.192 65.274 63.100 -0.030 0.000 0.841 285 P CB -0.795 30.889 31.700 -0.027 0.000 0.784 286 N N -0.127 118.549 118.700 -0.040 0.000 2.576 286 N HA 0.532 5.267 4.740 -0.008 0.000 0.269 286 N C -3.008 172.470 175.510 -0.053 0.000 1.058 286 N CA -1.269 51.756 53.050 -0.042 0.000 0.860 286 N CB 1.137 39.600 38.487 -0.039 0.000 1.249 286 N HN 0.196 8.576 8.380 -0.000 0.000 0.525 287 P HA 0.383 4.803 4.420 -0.000 0.000 0.271 287 P C -0.759 176.502 177.300 -0.066 0.000 1.220 287 P CA -0.061 63.001 63.100 -0.064 0.000 0.768 287 P CB 1.130 32.796 31.700 -0.056 0.000 0.848 288 V N 0.917 120.782 119.914 -0.081 0.000 2.686 288 V HA 0.521 4.636 4.120 -0.008 0.000 0.306 288 V C 0.268 176.308 176.094 -0.090 0.000 1.065 288 V CA -0.790 61.463 62.300 -0.079 0.000 0.894 288 V CB 1.589 33.362 31.823 -0.083 0.000 1.004 288 V HN 0.626 8.816 8.190 -0.000 0.000 0.424 289 E N 4.571 124.728 120.200 -0.073 0.000 2.115 289 E HA 0.722 5.067 4.350 -0.008 0.000 0.282 289 E C -0.989 175.573 176.600 -0.064 0.000 0.987 289 E CA -0.383 55.975 56.400 -0.070 0.000 0.797 289 E CB 1.332 31.000 29.700 -0.053 0.000 1.086 289 E HN 0.689 9.049 8.360 -0.000 0.000 0.397 290 L N 3.371 124.549 121.223 -0.074 0.000 2.298 290 L HA 0.602 4.937 4.340 -0.008 0.000 0.284 290 L C 1.245 178.097 176.870 -0.029 0.000 1.013 290 L CA -0.915 53.889 54.840 -0.059 0.000 0.824 290 L CB 1.981 43.988 42.059 -0.087 0.000 1.221 290 L HN 0.797 9.027 8.230 -0.000 0.000 0.418 291 G N 3.634 112.426 108.800 -0.012 0.000 2.486 291 G HA2 0.299 4.255 3.960 -0.008 0.000 0.272 291 G HA3 0.299 4.255 3.960 -0.008 0.000 0.272 291 G C -2.509 172.411 174.900 0.032 0.000 1.426 291 G CA -0.844 44.261 45.100 0.008 0.000 1.058 291 G HN 0.341 8.631 8.290 -0.000 0.000 0.531 292 P HA 0.261 4.681 4.420 -0.000 0.000 0.270 292 P C 0.599 177.955 177.300 0.094 0.000 1.223 292 P CA 1.299 64.442 63.100 0.071 0.000 0.785 292 P CB 0.636 32.373 31.700 0.062 0.000 0.923 293 G N -0.388 108.495 108.800 0.138 0.000 2.160 293 G HA2 -0.014 3.941 3.960 -0.008 0.000 0.244 293 G HA3 -0.014 3.941 3.960 -0.008 0.000 0.244 293 G C 0.196 175.235 174.900 0.231 0.000 1.022 293 G CA -0.059 45.154 45.100 0.189 0.000 0.741 293 G HN 0.807 9.097 8.290 -0.000 0.000 0.508 294 A N -0.344 122.602 122.820 0.211 0.000 2.312 294 A HA 1.031 5.346 4.320 -0.008 0.000 0.328 294 A C -0.303 177.447 177.584 0.276 0.000 1.158 294 A CA -0.253 51.873 52.037 0.148 0.000 0.821 294 A CB 0.989 20.043 19.000 0.090 0.000 1.170 294 A HN 1.681 9.831 8.150 -0.000 0.000 0.490 295 F N -0.427 119.576 119.950 0.089 0.000 2.619 295 F HA 0.848 5.371 4.527 -0.007 0.000 0.308 295 F C -1.078 174.738 175.800 0.027 0.000 1.097 295 F CA -1.619 56.292 58.000 -0.147 0.000 0.953 295 F CB 1.194 39.903 39.000 -0.486 0.000 1.287 295 F HN 0.653 8.953 8.300 -0.000 0.000 0.446 296 F N -0.848 119.068 119.950 -0.056 0.000 2.668 296 F HA 0.834 5.356 4.527 -0.008 0.000 0.309 296 F C 0.083 175.963 175.800 0.134 0.000 1.117 296 F CA -1.242 56.763 58.000 0.009 0.000 0.951 296 F CB 1.872 40.877 39.000 0.009 0.000 1.323 296 F HN 1.223 9.523 8.300 -0.000 0.000 0.451 297 G N 1.399 110.397 108.800 0.330 0.000 2.309 297 G HA2 -0.162 3.793 3.960 -0.008 0.000 0.183 297 G HA3 -0.162 3.793 3.960 -0.008 0.000 0.183 297 G C -0.052 174.818 174.900 -0.050 0.000 1.063 297 G CA 0.047 45.315 45.100 0.280 0.000 0.768 297 G HN 0.794 9.084 8.290 -0.000 0.000 0.490 298 E N -0.133 120.019 120.200 -0.079 0.000 2.107 298 E HA 0.122 4.467 4.350 -0.008 0.000 0.191 298 E C 2.530 179.027 176.600 -0.172 0.000 0.982 298 E CA 1.119 57.408 56.400 -0.185 0.000 0.809 298 E CB -0.068 29.515 29.700 -0.195 0.000 0.756 298 E HN 0.470 8.830 8.360 -0.000 0.000 0.459 299 M N -0.219 119.296 119.600 -0.141 0.000 2.619 299 M HA 0.169 4.644 4.480 -0.008 0.000 0.251 299 M C 1.760 177.945 176.300 -0.191 0.000 1.106 299 M CA 0.534 55.749 55.300 -0.142 0.000 1.086 299 M CB -0.540 31.990 32.600 -0.117 0.000 1.465 299 M HN 0.132 8.422 8.290 -0.000 0.000 0.506 300 A N -0.165 122.489 122.820 -0.276 0.000 2.021 300 A HA 0.037 4.352 4.320 -0.008 0.000 0.216 300 A C 2.234 179.720 177.584 -0.164 0.000 1.163 300 A CA 0.647 52.476 52.037 -0.347 0.000 0.676 300 A CB -0.390 18.250 19.000 -0.600 0.000 0.818 300 A HN 0.415 8.565 8.150 -0.000 0.000 0.453 301 L N -0.309 120.845 121.223 -0.116 0.000 2.023 301 L HA -0.128 4.207 4.340 -0.008 0.000 0.205 301 L C 2.355 179.324 176.870 0.165 0.000 1.073 301 L CA 0.846 55.693 54.840 0.012 0.000 0.745 301 L CB -0.380 41.602 42.059 -0.127 0.000 0.900 301 L HN 0.285 8.515 8.230 -0.000 0.000 0.435 302 I N -0.672 119.930 120.570 0.053 0.000 2.141 302 I HA -0.102 4.063 4.170 -0.008 0.000 0.236 302 I C 1.834 178.070 176.117 0.199 0.000 1.071 302 I CA 1.056 62.409 61.300 0.087 0.000 1.345 302 I CB -1.299 36.637 38.000 -0.107 0.000 1.066 302 I HN 0.300 8.510 8.210 -0.000 0.000 0.406 303 S N 0.041 115.778 115.700 0.062 0.000 2.623 303 S HA 0.565 5.030 4.470 -0.008 0.000 0.287 303 S C 0.857 175.451 174.600 -0.010 0.000 1.123 303 S CA -0.077 58.148 58.200 0.043 0.000 1.016 303 S CB 0.823 64.026 63.200 0.005 0.000 1.233 303 S HN 0.292 8.602 8.310 -0.000 0.000 0.512 304 G N 0.185 108.961 108.800 -0.039 0.000 3.959 304 G HA2 0.283 4.238 3.960 -0.008 0.000 0.298 304 G HA3 0.283 4.238 3.960 -0.008 0.000 0.298 304 G C -0.165 174.652 174.900 -0.137 0.000 1.211 304 G CA -0.430 44.622 45.100 -0.080 0.000 1.001 304 G HN 0.515 8.805 8.290 -0.000 0.000 0.561 305 E N 2.401 122.500 120.200 -0.169 0.000 2.558 305 E HA 0.051 4.396 4.350 -0.008 0.000 0.255 305 E C -2.002 174.414 176.600 -0.307 0.000 0.968 305 E CA -0.848 55.435 56.400 -0.195 0.000 0.939 305 E CB 1.273 30.861 29.700 -0.186 0.000 0.921 305 E HN 0.265 8.625 8.360 -0.000 0.000 0.477 306 P HA 0.049 4.469 4.420 -0.000 0.000 0.274 306 P C -0.521 176.676 177.300 -0.172 0.000 1.231 306 P CA -0.387 62.591 63.100 -0.204 0.000 0.790 306 P CB 0.419 32.086 31.700 -0.056 0.000 0.951 307 W N 1.075 122.401 121.300 0.043 0.000 2.264 307 W HA 0.077 4.732 4.660 -0.009 0.000 0.331 307 W C 1.709 178.241 176.519 0.023 0.000 1.364 307 W CA 0.062 57.438 57.345 0.051 0.000 1.253 307 W CB -0.222 29.285 29.460 0.079 0.000 1.215 307 W HN 0.380 8.560 8.180 -0.000 0.000 0.561 308 S N 1.845 117.698 115.700 0.256 0.000 2.558 308 S HA 0.472 4.937 4.470 -0.008 0.000 0.217 308 S C 0.455 175.114 174.600 0.098 0.000 0.975 308 S CA 0.153 58.430 58.200 0.128 0.000 0.912 308 S CB 0.111 63.357 63.200 0.077 0.000 0.776 308 S HN 0.526 8.836 8.310 -0.000 0.000 0.526 309 A N 0.510 123.403 122.820 0.121 0.000 2.566 309 A HA 0.619 4.934 4.320 -0.008 0.000 0.297 309 A C -0.456 177.111 177.584 -0.028 0.000 1.059 309 A CA -0.684 51.364 52.037 0.019 0.000 0.691 309 A CB 0.822 19.797 19.000 -0.043 0.000 1.282 309 A HN 0.107 8.257 8.150 -0.000 0.000 0.401 310 T N 1.914 116.430 114.554 -0.063 0.000 2.779 310 T HA 0.444 4.789 4.350 -0.008 0.000 0.296 310 T C -0.049 174.533 174.700 -0.197 0.000 0.938 310 T CA 0.193 62.222 62.100 -0.118 0.000 1.119 310 T CB 0.093 68.913 68.868 -0.080 0.000 0.891 310 T HN 0.550 8.790 8.240 -0.000 0.000 0.526 311 V N 4.438 124.178 119.914 -0.289 0.000 2.459 311 V HA 0.681 4.796 4.120 -0.008 0.000 0.295 311 V C 0.239 176.170 176.094 -0.272 0.000 1.029 311 V CA -0.752 61.338 62.300 -0.350 0.000 0.874 311 V CB 1.604 33.063 31.823 -0.606 0.000 0.985 311 V HN 1.040 9.230 8.190 -0.000 0.000 0.438 312 S N 3.286 118.859 115.700 -0.212 0.000 2.667 312 S HA 0.884 5.349 4.470 -0.008 0.000 0.292 312 S C -0.316 174.204 174.600 -0.133 0.000 1.126 312 S CA -0.478 57.625 58.200 -0.161 0.000 0.881 312 S CB 2.016 65.142 63.200 -0.122 0.000 1.132 312 S HN 1.282 9.592 8.310 -0.000 0.000 0.492 313 A N 0.592 123.350 122.820 -0.104 0.000 2.396 313 A HA 0.676 4.992 4.320 -0.008 0.000 0.279 313 A C 1.221 178.768 177.584 -0.062 0.000 1.165 313 A CA -0.159 51.832 52.037 -0.075 0.000 0.824 313 A CB -0.448 18.517 19.000 -0.060 0.000 1.100 313 A HN 1.469 9.619 8.150 -0.000 0.000 0.516 314 A N 2.966 125.751 122.820 -0.057 0.000 1.898 314 A HA 0.266 4.581 4.320 -0.008 0.000 0.214 314 A C 1.335 178.900 177.584 -0.033 0.000 1.183 314 A CA 1.866 53.875 52.037 -0.047 0.000 0.622 314 A CB -0.267 18.703 19.000 -0.049 0.000 0.824 314 A HN 0.744 8.894 8.150 -0.000 0.000 0.444 315 T N -2.079 112.459 114.554 -0.026 0.000 2.724 315 T HA 0.436 4.781 4.350 -0.008 0.000 0.274 315 T C -0.234 174.457 174.700 -0.014 0.000 0.984 315 T CA -0.464 61.626 62.100 -0.017 0.000 1.024 315 T CB 0.633 69.495 68.868 -0.010 0.000 1.320 315 T HN 0.043 8.283 8.240 -0.000 0.000 0.555 316 T N 1.865 116.415 114.554 -0.007 0.000 2.831 316 T HA 0.305 4.650 4.350 -0.008 0.000 0.291 316 T C -0.127 174.575 174.700 0.003 0.000 0.981 316 T CA -0.113 61.986 62.100 -0.002 0.000 1.174 316 T CB -0.204 68.666 68.868 0.003 0.000 0.929 316 T HN 0.358 8.598 8.240 -0.000 0.000 0.532 317 V N 3.528 123.443 119.914 0.001 0.000 2.459 317 V HA 0.444 4.559 4.120 -0.008 0.000 0.295 317 V C 0.304 176.411 176.094 0.021 0.000 1.029 317 V CA -0.655 61.650 62.300 0.008 0.000 0.874 317 V CB 2.081 33.899 31.823 -0.008 0.000 0.985 317 V HN 0.873 9.063 8.190 -0.000 0.000 0.438 318 S N 6.139 121.861 115.700 0.037 0.000 2.488 318 S HA 0.538 5.003 4.470 -0.008 0.000 0.310 318 S C -0.581 174.062 174.600 0.071 0.000 1.093 318 S CA -0.475 57.754 58.200 0.049 0.000 1.129 318 S CB -0.191 63.038 63.200 0.048 0.000 0.989 318 S HN 0.575 8.885 8.310 -0.000 0.000 0.479 319 L N 5.213 126.482 121.223 0.076 0.000 2.334 319 L HA 0.566 4.901 4.340 -0.008 0.000 0.277 319 L C -0.587 176.371 176.870 0.148 0.000 1.075 319 L CA -0.641 54.269 54.840 0.116 0.000 0.804 319 L CB 1.260 43.380 42.059 0.103 0.000 1.174 319 L HN 0.479 8.709 8.230 -0.000 0.000 0.438 320 L N 2.509 123.857 121.223 0.208 0.000 2.362 320 L HA 0.420 4.755 4.340 -0.008 0.000 0.275 320 L C -0.466 176.591 176.870 0.312 0.000 0.998 320 L CA -0.220 54.740 54.840 0.199 0.000 0.820 320 L CB 2.053 44.172 42.059 0.101 0.000 1.270 320 L HN 0.485 8.715 8.230 -0.000 0.000 0.415 321 S N 3.193 119.039 115.700 0.243 0.000 2.561 321 S HA 0.565 5.030 4.470 -0.008 0.000 0.303 321 S C -1.124 173.598 174.600 0.203 0.000 1.110 321 S CA -0.508 57.812 58.200 0.199 0.000 1.034 321 S CB 1.357 64.672 63.200 0.193 0.000 1.010 321 S HN 0.429 8.739 8.310 -0.000 0.000 0.482 322 L N 6.965 128.272 121.223 0.139 0.000 2.264 322 L HA 0.468 4.803 4.340 -0.008 0.000 0.287 322 L C -0.201 176.724 176.870 0.092 0.000 1.039 322 L CA -0.078 54.856 54.840 0.158 0.000 0.829 322 L CB 0.332 42.504 42.059 0.189 0.000 1.211 322 L HN 0.741 8.971 8.230 -0.000 0.000 0.427 323 H N 2.675 121.758 119.070 0.021 0.000 2.764 323 H HA 0.027 4.578 4.556 -0.008 0.000 0.341 323 H C 0.878 176.256 175.328 0.084 0.000 1.072 323 H CA 0.229 56.292 56.048 0.025 0.000 1.444 323 H CB 1.445 31.228 29.762 0.034 0.000 1.458 323 H HN 0.730 9.010 8.280 -0.000 0.000 0.572 324 S N 2.858 118.645 115.700 0.144 0.000 2.440 324 S HA -0.171 4.294 4.470 -0.008 0.000 0.238 324 S C 2.114 176.845 174.600 0.218 0.000 1.010 324 S CA 1.100 59.418 58.200 0.196 0.000 0.972 324 S CB -0.039 63.233 63.200 0.120 0.000 0.774 324 S HN 0.754 9.064 8.310 -0.000 0.000 0.501 325 A N 1.304 124.228 122.820 0.173 0.000 1.929 325 A HA -0.071 4.244 4.320 -0.008 0.000 0.216 325 A C 1.871 179.517 177.584 0.104 0.000 1.176 325 A CA 1.561 53.666 52.037 0.114 0.000 0.628 325 A CB -0.460 18.596 19.000 0.094 0.000 0.816 325 A HN 0.531 8.681 8.150 -0.000 0.000 0.444 326 D N -1.177 119.311 120.400 0.145 0.000 2.137 326 D HA -0.068 4.567 4.640 -0.008 0.000 0.202 326 D C 1.686 178.071 176.300 0.142 0.000 0.970 326 D CA 1.030 55.097 54.000 0.112 0.000 0.837 326 D CB -0.416 40.446 40.800 0.103 0.000 0.981 326 D HN 0.516 8.886 8.370 -0.000 0.000 0.475 327 F N 1.668 121.660 119.950 0.071 0.000 2.234 327 F HA -0.215 4.307 4.527 -0.009 0.000 0.299 327 F C 2.454 178.333 175.800 0.132 0.000 1.087 327 F CA 1.101 59.150 58.000 0.083 0.000 1.340 327 F CB 0.234 39.309 39.000 0.126 0.000 1.031 327 F HN -0.185 8.115 8.300 -0.000 0.000 0.500 328 Q N 1.021 120.858 119.800 0.063 0.000 2.046 328 Q HA -0.185 4.150 4.340 -0.008 0.000 0.200 328 Q C 2.246 178.141 176.000 -0.175 0.000 0.975 328 Q CA 2.800 58.529 55.803 -0.124 0.000 0.836 328 Q CB -0.718 27.969 28.738 -0.085 0.000 0.896 328 Q HN 0.444 8.714 8.270 -0.000 0.000 0.428 329 M N -0.592 118.956 119.600 -0.087 0.000 2.706 329 M HA 0.051 4.526 4.480 -0.008 0.000 0.251 329 M C 1.280 177.525 176.300 -0.092 0.000 1.070 329 M CA 1.164 56.416 55.300 -0.080 0.000 1.073 329 M CB -1.017 31.561 32.600 -0.037 0.000 1.449 329 M HN 0.264 8.554 8.290 -0.000 0.000 0.531 330 L N -1.359 119.782 121.223 -0.136 0.000 2.585 330 L HA 0.141 4.476 4.340 -0.008 0.000 0.226 330 L C 2.384 179.164 176.870 -0.150 0.000 1.113 330 L CA 0.693 55.449 54.840 -0.140 0.000 0.876 330 L CB -0.621 41.335 42.059 -0.172 0.000 1.072 330 L HN 0.652 8.882 8.230 -0.000 0.000 0.468 331 C N -0.702 118.498 119.300 -0.167 0.000 2.422 331 C HA -0.144 4.311 4.460 -0.008 0.000 0.279 331 C C 2.977 177.914 174.990 -0.089 0.000 1.305 331 C CA 1.122 60.061 59.018 -0.131 0.000 1.757 331 C CB -0.961 26.676 27.740 -0.172 0.000 1.962 331 C HN 0.722 8.952 8.230 -0.000 0.000 0.499 332 S N 1.625 117.275 115.700 -0.084 0.000 2.382 332 S HA -0.134 4.331 4.470 -0.008 0.000 0.228 332 S C 1.689 176.262 174.600 -0.046 0.000 1.027 332 S CA 1.828 59.992 58.200 -0.060 0.000 0.991 332 S CB -0.580 62.587 63.200 -0.055 0.000 0.823 332 S HN 0.750 9.060 8.310 -0.000 0.000 0.469 333 S N 0.264 115.936 115.700 -0.048 0.000 2.483 333 S HA 0.280 4.745 4.470 -0.008 0.000 0.221 333 S C 0.801 175.381 174.600 -0.033 0.000 1.030 333 S CA 0.081 58.260 58.200 -0.035 0.000 0.925 333 S CB -0.129 63.053 63.200 -0.029 0.000 0.795 333 S HN 0.452 8.762 8.310 -0.000 0.000 0.511 334 S N 2.876 118.547 115.700 -0.047 0.000 2.456 334 S HA 0.497 4.962 4.470 -0.008 0.000 0.316 334 S C -2.013 172.568 174.600 -0.032 0.000 1.089 334 S CA -1.739 56.437 58.200 -0.041 0.000 1.101 334 S CB 1.635 64.798 63.200 -0.062 0.000 0.995 334 S HN 0.066 8.376 8.310 -0.000 0.000 0.468 335 P HA 0.023 4.443 4.420 -0.000 0.000 0.221 335 P C 0.617 177.923 177.300 0.010 0.000 1.155 335 P CA 0.844 63.944 63.100 -0.001 0.000 0.812 335 P CB 0.199 31.900 31.700 0.002 0.000 0.801 336 E N 0.144 120.348 120.200 0.007 0.000 2.106 336 E HA -0.087 4.258 4.350 -0.008 0.000 0.192 336 E C 2.174 178.792 176.600 0.030 0.000 0.984 336 E CA 0.900 57.312 56.400 0.020 0.000 0.806 336 E CB -0.955 28.755 29.700 0.017 0.000 0.750 336 E HN 0.277 8.637 8.360 -0.000 0.000 0.458 337 I N 0.736 121.307 120.570 0.001 0.000 2.286 337 I HA -0.225 3.940 4.170 -0.008 0.000 0.245 337 I C 2.330 178.497 176.117 0.083 0.000 1.104 337 I CA 0.893 62.183 61.300 -0.017 0.000 1.397 337 I CB -0.342 37.536 38.000 -0.203 0.000 1.072 337 I HN 0.117 8.327 8.210 -0.000 0.000 0.417 338 A N 0.455 123.320 122.820 0.076 0.000 1.948 338 A HA -0.287 4.028 4.320 -0.008 0.000 0.220 338 A C 2.168 179.839 177.584 0.146 0.000 1.177 338 A CA 2.145 54.258 52.037 0.128 0.000 0.636 338 A CB -0.545 18.480 19.000 0.040 0.000 0.815 338 A HN 0.394 8.544 8.150 -0.000 0.000 0.449 339 E N -0.123 120.129 120.200 0.086 0.000 2.347 339 E HA -0.083 4.262 4.350 -0.008 0.000 0.196 339 E C 1.627 178.264 176.600 0.061 0.000 1.008 339 E CA 0.588 57.028 56.400 0.067 0.000 0.852 339 E CB -0.199 29.528 29.700 0.044 0.000 0.783 339 E HN 0.545 8.905 8.360 -0.000 0.000 0.505 340 I N -0.118 120.481 120.570 0.047 0.000 2.202 340 I HA -0.196 3.969 4.170 -0.008 0.000 0.242 340 I C 1.799 177.868 176.117 -0.080 0.000 1.091 340 I CA 1.151 62.428 61.300 -0.038 0.000 1.368 340 I CB -1.207 36.742 38.000 -0.084 0.000 1.058 340 I HN 0.130 8.340 8.210 -0.000 0.000 0.410 341 F N 1.324 121.310 119.950 0.061 0.000 2.146 341 F HA -0.193 4.329 4.527 -0.009 0.000 0.298 341 F C 3.027 178.842 175.800 0.025 0.000 1.096 341 F CA 1.929 59.955 58.000 0.043 0.000 1.275 341 F CB -0.904 38.107 39.000 0.018 0.000 1.008 341 F HN 0.032 8.332 8.300 -0.000 0.000 0.480 342 R N 1.006 121.624 120.500 0.197 0.000 2.092 342 R HA -0.086 4.249 4.340 -0.008 0.000 0.231 342 R C 2.116 178.459 176.300 0.071 0.000 1.119 342 R CA 1.886 58.052 56.100 0.110 0.000 0.970 342 R CB -1.969 28.378 30.300 0.079 0.000 0.864 342 R HN 0.361 8.631 8.270 -0.000 0.000 0.440 343 K N 0.310 120.744 120.400 0.056 0.000 2.280 343 K HA -0.055 4.260 4.320 -0.008 0.000 0.202 343 K C 1.727 178.343 176.600 0.026 0.000 1.047 343 K CA 1.587 57.892 56.287 0.031 0.000 0.942 343 K CB -1.016 31.494 32.500 0.017 0.000 0.739 343 K HN 0.546 8.796 8.250 -0.000 0.000 0.457 344 T N 0.563 115.140 114.554 0.038 0.000 3.327 344 T HA 0.483 4.828 4.350 -0.008 0.000 0.241 344 T C 1.620 176.349 174.700 0.049 0.000 0.907 344 T CA 0.119 62.241 62.100 0.036 0.000 0.931 344 T CB 0.237 69.127 68.868 0.037 0.000 1.112 344 T HN 0.490 8.730 8.240 -0.000 0.000 0.589 345 A N 1.401 124.245 122.820 0.040 0.000 1.843 345 A HA 0.477 4.792 4.320 -0.008 0.000 0.213 345 A C 1.578 179.175 177.584 0.023 0.000 1.202 345 A CA 0.599 52.657 52.037 0.034 0.000 0.607 345 A CB -0.639 18.379 19.000 0.030 0.000 0.847 345 A HN 0.645 8.795 8.150 -0.000 0.000 0.445 346 L N 0.178 121.412 121.223 0.017 0.000 2.352 346 L HA 0.706 5.041 4.340 -0.008 0.000 0.272 346 L C 0.025 176.899 176.870 0.007 0.000 1.109 346 L CA 0.763 55.610 54.840 0.011 0.000 0.952 346 L CB -1.399 40.665 42.059 0.008 0.000 1.314 346 L HN 1.067 9.297 8.230 -0.000 0.000 0.427 347 E N 0.000 120.204 120.200 0.007 0.000 2.725 347 E HA 0.000 4.345 4.350 -0.008 0.000 0.291 347 E CA 0.000 56.401 56.400 0.001 0.000 0.976 347 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 347 E HN 0.000 8.360 8.360 -0.000 0.000 0.440