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 1g3f_1_A DATA FIRST_RESID 240 DATA SEQUENCE MSDAVSSDRN FPNSTNLPRN PSMADYEARI FTFGTWIYSV NKEQLARAGF DATA SEQUENCE YALGEGDKVK CFHCGGGLTD WKPSEDPWEQ HAKWYPGCKY LLEQKGQEYI DATA SEQUENCE NNIHLTHSLE ECLVRTT 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 240 M HA 0.000 4.482 4.480 0.003 0.000 0.227 240 M C 0.000 176.302 176.300 0.004 0.000 1.140 240 M CA 0.000 55.302 55.300 0.003 0.000 0.988 240 M CB 0.000 32.602 32.600 0.003 0.000 1.302 241 S N 3.039 118.742 115.700 0.005 0.000 2.519 241 S HA 0.013 4.486 4.470 0.006 0.000 0.320 241 S C -0.482 174.122 174.600 0.006 0.000 1.179 241 S CA 0.758 58.961 58.200 0.006 0.000 1.173 241 S CB 0.003 63.207 63.200 0.006 0.000 1.224 241 S HN -0.069 8.244 8.310 0.005 0.000 0.542 242 D N 6.354 126.758 120.400 0.006 0.000 2.943 242 D HA 0.111 4.755 4.640 0.007 0.000 0.282 242 D C -1.115 175.190 176.300 0.009 0.000 1.148 242 D CA 0.022 54.026 54.000 0.006 0.000 1.006 242 D CB 0.887 41.690 40.800 0.004 0.000 1.168 242 D HN 0.161 8.534 8.370 0.006 0.000 0.450 243 A N -1.494 121.332 122.820 0.009 0.000 6.325 243 A HA -0.185 4.143 4.320 0.013 0.000 0.352 243 A C 1.011 178.603 177.584 0.013 0.000 1.933 243 A CA -0.023 52.021 52.037 0.012 0.000 0.613 243 A CB -0.615 18.393 19.000 0.013 0.000 1.856 243 A HN -0.398 7.756 8.150 0.007 0.000 0.410 244 V N -4.997 114.929 119.914 0.020 0.000 2.439 244 V HA -0.417 3.946 4.120 0.020 -0.231 0.253 244 V C 1.722 177.828 176.094 0.021 0.000 1.074 244 V CA 2.728 65.043 62.300 0.024 0.000 1.076 244 V CB -0.199 31.646 31.823 0.038 0.000 0.664 244 V HN 0.335 8.538 8.190 0.022 0.000 0.461 245 S N 0.962 116.674 115.700 0.021 0.000 2.407 245 S HA -0.235 4.251 4.470 0.027 0.000 0.235 245 S C 0.552 175.163 174.600 0.018 0.000 1.036 245 S CA 3.236 61.449 58.200 0.022 0.000 1.013 245 S CB 0.011 63.223 63.200 0.021 0.000 0.820 245 S HN 0.190 8.482 8.310 0.020 0.030 0.476 246 S N -2.940 112.767 115.700 0.012 0.000 2.640 246 S HA 0.046 4.519 4.470 0.004 0.000 0.163 246 S C -1.836 172.764 174.600 -0.001 0.000 0.936 246 S CA 0.557 58.760 58.200 0.006 0.000 1.081 246 S CB -0.536 62.669 63.200 0.008 0.000 1.720 246 S HN -0.203 7.965 8.310 0.011 0.149 0.488 247 D N 0.888 121.285 120.400 -0.005 0.000 2.085 247 D HA 0.007 4.638 4.640 -0.015 0.000 0.083 247 D C -1.460 174.829 176.300 -0.019 0.000 1.492 247 D CA 1.033 55.026 54.000 -0.011 0.000 1.029 247 D CB 1.017 41.815 40.800 -0.003 0.000 2.898 247 D HN -0.496 7.872 8.370 -0.004 0.000 0.207 248 R N 0.521 121.017 120.500 -0.007 0.000 2.698 248 R HA -0.098 4.235 4.340 -0.011 0.000 0.266 248 R C 0.879 177.161 176.300 -0.029 0.000 1.026 248 R CA 0.712 56.809 56.100 -0.005 0.000 1.102 248 R CB 0.368 30.682 30.300 0.024 0.000 0.978 248 R HN 0.089 8.243 8.270 0.002 0.118 0.436 249 N N 1.915 120.572 118.700 -0.071 0.000 2.267 249 N HA -0.172 4.416 4.740 -0.253 0.000 0.269 249 N C -0.344 175.133 175.510 -0.053 0.000 1.287 249 N CA 0.266 53.174 53.050 -0.236 0.000 0.916 249 N CB 0.300 38.444 38.487 -0.571 0.000 1.052 249 N HN 0.059 8.412 8.380 -0.046 0.000 0.496 250 F N -2.793 117.159 119.950 0.003 0.000 2.332 250 F HA -0.111 4.417 4.527 0.003 0.000 0.390 250 F C -0.302 175.498 175.800 0.000 0.000 1.004 250 F CA -3.360 54.642 58.000 0.002 0.000 0.990 250 F CB -2.020 36.980 39.000 0.000 0.000 0.867 250 F HN 0.057 7.683 8.300 -1.124 0.000 0.519 251 P HA -0.304 4.186 4.420 0.115 0.000 0.208 251 P C 0.860 178.211 177.300 0.084 0.000 1.189 251 P CA 1.670 64.842 63.100 0.120 0.000 0.931 251 P CB 0.237 31.980 31.700 0.072 0.000 0.783 252 N N -1.837 116.897 118.700 0.056 0.000 2.002 252 N HA -0.248 4.494 4.740 0.004 0.000 0.199 252 N C 0.402 175.893 175.510 -0.030 0.000 1.060 252 N CA 2.267 55.324 53.050 0.010 0.000 0.867 252 N CB 0.421 38.910 38.487 0.003 0.000 1.069 252 N HN 0.168 8.587 8.380 0.065 0.000 0.430 253 S N -7.578 108.079 115.700 -0.072 0.000 1.409 253 S HA -0.056 4.200 4.470 -0.358 0.000 0.128 253 S C -1.594 172.823 174.600 -0.305 0.000 0.536 253 S CA 0.293 58.352 58.200 -0.236 0.000 1.628 253 S CB 1.515 64.611 63.200 -0.172 0.000 0.870 253 S HN 0.324 8.621 8.310 -0.022 0.000 0.292 254 T N -4.808 109.670 114.554 -0.127 0.000 3.538 254 T HA -0.009 4.312 4.350 -0.049 0.000 0.291 254 T C -0.799 173.892 174.700 -0.014 0.000 0.851 254 T CA -0.165 61.889 62.100 -0.076 0.000 0.957 254 T CB 0.466 69.272 68.868 -0.102 0.000 1.163 254 T HN -0.499 7.698 8.240 -0.072 0.000 0.624 255 N N 3.933 122.620 118.700 -0.023 0.000 2.189 255 N HA -0.285 4.446 4.740 -0.015 0.000 0.243 255 N C -0.448 175.063 175.510 0.001 0.000 1.235 255 N CA 1.084 54.126 53.050 -0.013 0.000 0.843 255 N CB 0.716 39.192 38.487 -0.019 0.000 1.089 255 N HN -0.057 8.300 8.380 -0.039 0.000 0.454 256 L N 1.545 122.764 121.223 -0.007 0.000 2.307 256 L HA 0.311 4.655 4.340 0.007 0.000 0.284 256 L C -1.123 175.725 176.870 -0.038 0.000 1.023 256 L CA -2.995 51.840 54.840 -0.008 0.000 0.810 256 L CB 0.617 42.673 42.059 -0.005 0.000 1.231 256 L HN 0.261 8.484 8.230 -0.012 0.000 0.423 257 P HA 0.101 4.456 4.420 -0.110 0.000 0.225 257 P C -0.891 176.286 177.300 -0.205 0.000 1.768 257 P CA -0.699 62.339 63.100 -0.104 0.000 0.943 257 P CB -1.624 30.042 31.700 -0.057 0.000 1.936 258 R N -1.383 118.995 120.500 -0.202 0.000 3.514 258 R HA -0.426 3.824 4.340 -0.151 0.000 0.604 258 R C -1.858 174.359 176.300 -0.138 0.000 0.241 258 R CA 1.354 57.298 56.100 -0.261 0.000 1.862 258 R CB -0.349 29.537 30.300 -0.690 0.000 0.904 258 R HN 0.050 8.157 8.270 -0.132 0.084 0.608 259 N N -4.036 114.622 118.700 -0.071 0.000 5.094 259 N HA 0.183 4.988 4.740 0.109 0.000 0.159 259 N C -1.791 173.761 175.510 0.070 0.000 1.016 259 N CA -0.365 52.708 53.050 0.039 0.000 1.158 259 N CB 1.135 39.638 38.487 0.026 0.000 1.540 259 N HN 0.026 8.350 8.380 -0.094 0.000 0.969 260 P HA -0.195 4.337 4.420 0.188 0.000 0.213 260 P C 0.522 177.885 177.300 0.105 0.000 1.176 260 P CA 2.485 65.659 63.100 0.122 0.000 0.919 260 P CB 0.472 32.219 31.700 0.079 0.000 0.791 261 S N -5.092 110.647 115.700 0.065 0.000 2.409 261 S HA -0.335 4.268 4.470 0.064 -0.095 0.237 261 S C 1.474 176.116 174.600 0.071 0.000 1.060 261 S CA 2.568 60.803 58.200 0.060 0.000 1.052 261 S CB -0.294 62.928 63.200 0.035 0.000 0.871 261 S HN 0.283 8.616 8.310 0.039 0.000 0.465 262 M N -1.246 118.397 119.600 0.072 0.000 2.556 262 M HA 0.065 4.584 4.480 0.065 0.000 0.259 262 M C 0.892 177.252 176.300 0.100 0.000 1.175 262 M CA 0.501 55.844 55.300 0.071 0.000 1.202 262 M CB 0.640 33.271 32.600 0.051 0.000 1.298 262 M HN -0.765 7.535 8.290 0.066 0.030 0.492 263 A N 1.046 123.941 122.820 0.125 0.000 3.282 263 A HA 0.238 4.659 4.320 0.168 0.000 0.287 263 A C -1.107 176.626 177.584 0.248 0.000 1.366 263 A CA -0.728 51.420 52.037 0.186 0.000 1.069 263 A CB -0.446 18.676 19.000 0.204 0.000 1.109 263 A HN 0.360 8.576 8.150 0.109 0.000 0.638 264 D N 2.935 123.467 120.400 0.220 0.000 2.525 264 D HA -0.104 4.710 4.640 0.290 0.000 0.261 264 D C 0.576 177.055 176.300 0.298 0.000 1.379 264 D CA 1.169 55.323 54.000 0.257 0.000 1.074 264 D CB -0.729 40.198 40.800 0.212 0.000 0.939 264 D HN -0.555 7.859 8.370 0.183 0.067 0.272 265 Y N 2.357 122.734 120.300 0.129 0.000 1.979 265 Y HA -0.510 4.107 4.550 0.112 0.000 0.262 265 Y C 1.648 177.623 175.900 0.124 0.000 1.142 265 Y CA 3.389 61.555 58.100 0.109 0.000 1.096 265 Y CB -0.067 38.435 38.460 0.069 0.000 0.958 265 Y HN 0.010 8.497 8.280 0.345 0.000 0.484 266 E N -1.845 118.299 120.200 -0.094 0.000 2.035 266 E HA -0.535 3.555 4.350 -0.434 0.000 0.204 266 E C 2.009 178.606 176.600 -0.005 0.000 1.025 266 E CA 3.744 60.029 56.400 -0.193 0.000 0.835 266 E CB -0.800 28.843 29.700 -0.094 0.000 0.764 266 E HN 0.324 8.741 8.360 0.095 0.000 0.457 267 A N -1.390 121.499 122.820 0.114 0.000 1.859 267 A HA -0.443 4.021 4.320 0.241 0.000 0.218 267 A C 2.317 180.011 177.584 0.183 0.000 1.242 267 A CA 3.063 55.237 52.037 0.229 0.000 0.661 267 A CB -0.590 18.612 19.000 0.337 0.000 0.842 267 A HN 0.063 8.284 8.150 0.118 0.000 0.455 268 R N -1.695 118.924 120.500 0.197 0.000 2.115 268 R HA -0.334 3.923 4.340 -0.139 0.000 0.239 268 R C 2.627 179.085 176.300 0.264 0.000 1.133 268 R CA 2.570 58.778 56.100 0.179 0.000 0.935 268 R CB -0.740 29.822 30.300 0.436 0.000 0.853 268 R HN -0.411 8.021 8.270 0.270 0.000 0.433 269 I N -1.710 119.006 120.570 0.244 0.000 2.381 269 I HA -0.410 3.932 4.170 0.287 0.000 0.255 269 I C 1.630 177.871 176.117 0.207 0.000 1.140 269 I CA 2.948 64.362 61.300 0.190 0.000 1.404 269 I CB -0.859 37.090 38.000 -0.085 0.000 1.075 269 I HN 0.001 8.322 8.210 0.185 0.000 0.433 270 F N -1.151 118.783 119.950 -0.027 0.000 2.293 270 F HA -0.144 4.363 4.527 -0.034 0.000 0.297 270 F C 0.996 176.728 175.800 -0.112 0.000 1.089 270 F CA 2.318 60.285 58.000 -0.054 0.000 1.377 270 F CB 0.195 39.167 39.000 -0.047 0.000 1.051 270 F HN -0.072 8.201 8.300 0.231 0.165 0.511 271 T N 0.553 114.921 114.554 -0.310 0.000 2.701 271 T HA -0.347 3.640 4.350 -0.604 0.000 0.263 271 T C 1.786 176.171 174.700 -0.525 0.000 1.040 271 T CA 3.510 65.230 62.100 -0.633 0.000 1.147 271 T CB 0.342 68.537 68.868 -1.121 0.000 0.865 271 T HN -0.280 7.731 8.240 -0.195 0.112 0.426 272 F N 0.480 120.342 119.950 -0.148 0.000 2.037 272 F HA -0.350 4.099 4.527 -0.131 0.000 0.291 272 F C 0.827 176.602 175.800 -0.041 0.000 1.137 272 F CA 3.041 61.011 58.000 -0.051 0.000 1.178 272 F CB 0.378 39.489 39.000 0.184 0.000 0.995 272 F HN -0.645 7.510 8.300 -0.243 0.000 0.472 273 G N -5.643 103.304 108.800 0.245 0.000 2.178 273 G HA2 -0.219 3.783 3.960 0.069 0.000 0.147 273 G HA3 -0.219 3.799 3.960 0.096 0.000 0.147 273 G C -0.221 174.778 174.900 0.165 0.000 1.245 273 G CA -0.039 45.142 45.100 0.135 0.000 1.275 273 G HN -0.767 7.727 8.290 0.340 0.000 0.491 274 T N 4.185 118.832 114.554 0.155 0.000 2.866 274 T HA -0.085 4.310 4.350 0.075 0.000 0.250 274 T C 0.968 175.745 174.700 0.128 0.000 1.033 274 T CA 1.031 63.200 62.100 0.114 0.000 1.145 274 T CB 0.301 69.222 68.868 0.089 0.000 0.866 274 T HN 0.110 8.437 8.240 0.146 0.000 0.434 275 W N 1.727 122.996 121.300 -0.051 0.000 2.456 275 W HA -0.293 4.326 4.660 -0.069 0.000 0.343 275 W C -1.836 174.567 176.519 -0.193 0.000 1.211 275 W CA 0.484 57.778 57.345 -0.084 0.000 1.353 275 W CB 0.807 30.238 29.460 -0.048 0.000 1.189 275 W HN -0.431 7.957 8.180 0.345 0.000 0.587 276 I N 4.511 124.168 120.570 -1.520 0.000 2.743 276 I HA -0.052 2.326 4.170 -2.987 0.000 0.284 276 I C -1.918 173.387 176.117 -1.353 0.000 1.596 276 I CA -1.382 58.813 61.300 -1.842 0.000 1.066 276 I CB 1.232 38.673 38.000 -0.932 0.000 1.473 276 I HN -0.282 7.162 8.210 -1.277 0.000 0.428 277 Y N 5.823 125.473 120.300 -1.084 0.000 2.188 277 Y HA 0.166 4.461 4.550 -0.425 0.000 0.360 277 Y C -0.168 175.510 175.900 -0.371 0.000 1.324 277 Y CA -1.064 56.714 58.100 -0.537 0.000 1.726 277 Y CB -0.232 38.016 38.460 -0.354 0.000 1.536 277 Y HN -0.077 6.531 8.280 -2.785 0.000 0.628 278 S N -0.521 115.187 115.700 0.013 0.000 2.392 278 S HA -0.319 4.115 4.470 -0.060 0.000 0.232 278 S C 0.008 174.582 174.600 -0.042 0.000 1.041 278 S CA 1.886 60.072 58.200 -0.025 0.000 1.026 278 S CB -0.162 63.045 63.200 0.011 0.000 0.845 278 S HN 0.159 8.520 8.310 0.085 0.000 0.465 279 V N -2.271 117.654 119.914 0.018 0.000 3.698 279 V HA -0.062 4.043 4.120 -0.026 0.000 0.280 279 V C -1.730 174.276 176.094 -0.147 0.000 0.995 279 V CA -1.071 61.217 62.300 -0.020 0.000 1.000 279 V CB 0.826 32.673 31.823 0.040 0.000 1.248 279 V HN -0.651 7.607 8.190 0.143 0.018 0.429 280 N N -0.595 118.025 118.700 -0.133 0.000 2.362 280 N HA 0.165 4.765 4.740 -0.233 0.000 0.298 280 N C 0.570 175.969 175.510 -0.185 0.000 1.048 280 N CA -0.936 52.010 53.050 -0.173 0.000 0.858 280 N CB 2.026 40.445 38.487 -0.113 0.000 1.218 280 N HN 0.119 8.456 8.380 -0.072 0.000 0.488 281 K N 3.483 123.739 120.400 -0.240 0.000 2.044 281 K HA -0.474 3.592 4.320 -0.423 0.000 0.210 281 K C 1.146 177.779 176.600 0.054 0.000 1.049 281 K CA 4.479 60.643 56.287 -0.204 0.000 0.927 281 K CB -0.540 31.881 32.500 -0.132 0.000 0.713 281 K HN 0.670 8.767 8.250 -0.256 0.000 0.443 282 E N -2.667 117.620 120.200 0.145 0.000 2.187 282 E HA -0.337 4.216 4.350 0.338 0.000 0.199 282 E C 2.341 179.013 176.600 0.119 0.000 1.004 282 E CA 2.933 59.437 56.400 0.172 0.000 0.813 282 E CB -1.577 28.064 29.700 -0.098 0.000 0.736 282 E HN 0.379 8.813 8.360 0.125 0.001 0.468 283 Q N -0.407 119.433 119.800 0.066 0.000 2.016 283 Q HA -0.247 4.161 4.340 0.113 0.000 0.200 283 Q C 2.233 178.354 176.000 0.201 0.000 0.978 283 Q CA 2.848 58.717 55.803 0.111 0.000 0.833 283 Q CB -0.482 28.300 28.738 0.073 0.000 0.895 283 Q HN -0.075 8.044 8.270 0.012 0.158 0.427 284 L N -2.013 119.310 121.223 0.167 0.000 2.129 284 L HA -0.417 4.145 4.340 0.369 0.000 0.212 284 L C 1.880 178.976 176.870 0.376 0.000 1.087 284 L CA 2.815 57.834 54.840 0.299 0.000 0.757 284 L CB -0.625 41.566 42.059 0.219 0.000 0.896 284 L HN -0.755 7.432 8.230 0.057 0.077 0.434 285 A N -2.587 120.429 122.820 0.327 0.000 1.929 285 A HA -0.237 4.325 4.320 0.403 0.000 0.216 285 A C 1.927 179.677 177.584 0.276 0.000 1.176 285 A CA 2.753 54.992 52.037 0.337 0.000 0.628 285 A CB -0.547 18.645 19.000 0.320 0.000 0.816 285 A HN 0.161 8.353 8.150 0.271 0.121 0.444 286 R N -2.253 118.397 120.500 0.251 0.000 2.091 286 R HA -0.272 4.186 4.340 0.197 0.000 0.238 286 R C 1.693 178.194 176.300 0.336 0.000 1.136 286 R CA 2.224 58.477 56.100 0.256 0.000 0.959 286 R CB -0.461 29.975 30.300 0.227 0.000 0.856 286 R HN -0.494 7.810 8.270 0.241 0.110 0.437 287 A N -4.885 118.107 122.820 0.287 0.000 1.968 287 A HA 0.016 4.105 4.320 -0.384 0.000 0.217 287 A C -0.345 177.088 177.584 -0.253 0.000 1.169 287 A CA 1.126 53.015 52.037 -0.247 0.000 0.638 287 A CB 1.078 19.715 19.000 -0.605 0.000 0.812 287 A HN -0.583 7.753 8.150 0.309 0.000 0.446 288 G N -4.609 104.226 108.800 0.058 0.000 2.309 288 G HA2 -0.218 4.064 3.960 0.431 0.000 0.183 288 G HA3 -0.218 3.963 3.960 0.367 0.000 0.183 288 G C -1.681 173.410 174.900 0.317 0.000 1.063 288 G CA -0.485 44.792 45.100 0.296 0.000 0.768 288 G HN -0.624 7.647 8.290 0.168 0.120 0.490 289 F N 0.253 120.390 119.950 0.311 0.000 2.385 289 F HA 0.301 4.962 4.527 0.223 0.000 0.360 289 F C -1.105 174.912 175.800 0.361 0.000 1.122 289 F CA -2.737 55.452 58.000 0.315 0.000 1.090 289 F CB 1.464 40.703 39.000 0.398 0.000 1.150 289 F HN -0.102 8.474 8.300 0.460 0.000 0.472 290 Y N 8.907 129.390 120.300 0.304 0.000 2.342 290 Y HA 0.126 4.714 4.550 0.062 0.000 0.338 290 Y C -1.909 173.883 175.900 -0.180 0.000 0.965 290 Y CA -1.170 56.950 58.100 0.034 0.000 1.159 290 Y CB 2.633 41.065 38.460 -0.046 0.000 1.157 290 Y HN 0.374 8.932 8.280 0.463 0.000 0.486 291 A N 6.745 129.113 122.820 -0.754 0.000 2.455 291 A HA -0.040 4.138 4.320 -0.426 -0.113 0.244 291 A C -0.776 176.577 177.584 -0.385 0.000 1.099 291 A CA 0.165 51.765 52.037 -0.728 0.000 0.786 291 A CB 0.703 18.883 19.000 -1.368 0.000 1.051 291 A HN -0.107 7.316 8.150 -1.212 0.000 0.508 292 L N -1.085 119.972 121.223 -0.277 0.000 3.036 292 L HA 0.174 4.448 4.340 -0.110 0.000 0.237 292 L C 1.017 177.774 176.870 -0.188 0.000 1.319 292 L CA -0.836 53.902 54.840 -0.170 0.000 1.112 292 L CB -1.739 40.241 42.059 -0.132 0.000 1.480 292 L HN -0.182 7.879 8.230 -0.282 0.000 0.506 293 G N -1.365 107.277 108.800 -0.263 0.000 2.179 293 G HA2 -0.350 3.425 3.960 -0.308 0.000 0.260 293 G HA3 -0.350 3.495 3.960 -0.191 0.000 0.260 293 G C -1.119 173.636 174.900 -0.242 0.000 0.977 293 G CA 0.008 44.957 45.100 -0.252 0.000 0.641 293 G HN 0.076 8.068 8.290 -0.357 0.083 0.533 294 E N -0.094 119.960 120.200 -0.242 0.000 2.292 294 E HA 0.240 4.471 4.350 -0.199 0.000 0.272 294 E C -1.005 175.448 176.600 -0.245 0.000 0.881 294 E CA -1.543 54.727 56.400 -0.217 0.000 0.754 294 E CB 3.489 33.079 29.700 -0.184 0.000 1.201 294 E HN -0.507 7.611 8.360 -0.261 0.085 0.425 295 G N 0.816 109.442 108.800 -0.289 0.000 2.559 295 G HA2 -0.167 3.736 3.960 -0.096 0.000 0.235 295 G HA3 -0.167 3.287 3.960 -0.843 0.000 0.235 295 G C -0.503 173.930 174.900 -0.778 0.000 1.266 295 G CA 0.145 44.914 45.100 -0.551 0.000 0.847 295 G HN 0.319 8.459 8.290 -0.250 0.000 0.583 296 D N -1.304 118.535 120.400 -0.936 0.000 3.955 296 D HA -0.383 4.414 4.640 0.262 0.000 0.201 296 D C -0.606 175.800 176.300 0.178 0.000 1.010 296 D CA 2.959 56.837 54.000 -0.205 0.000 2.311 296 D CB -0.658 39.974 40.800 -0.280 0.000 1.173 296 D HN 0.090 7.765 8.370 -1.159 0.000 0.455 297 K N 3.034 123.419 120.400 -0.026 0.000 2.402 297 K HA -0.073 4.398 4.320 -0.061 -0.187 0.285 297 K C -1.537 175.039 176.600 -0.040 0.000 1.054 297 K CA 0.851 57.108 56.287 -0.051 0.000 1.001 297 K CB 0.372 32.807 32.500 -0.109 0.000 0.946 297 K HN -0.366 7.762 8.250 -0.135 0.041 0.473 298 V N 4.571 124.448 119.914 -0.061 0.000 2.851 298 V HA 0.284 4.339 4.120 -0.108 0.000 0.307 298 V C -2.979 173.027 176.094 -0.146 0.000 1.129 298 V CA -1.975 60.271 62.300 -0.089 0.000 0.932 298 V CB 3.796 35.679 31.823 0.099 0.000 1.024 298 V HN 0.041 8.155 8.190 -0.126 0.000 0.426 299 K N 6.649 127.066 120.400 0.028 0.000 2.182 299 K HA 0.593 5.286 4.320 0.193 -0.257 0.262 299 K C -1.121 175.691 176.600 0.353 0.000 0.957 299 K CA -2.385 53.989 56.287 0.144 0.000 0.842 299 K CB 2.478 34.957 32.500 -0.035 0.000 1.099 299 K HN -0.230 8.021 8.250 0.002 0.000 0.438 300 C N 3.469 123.030 119.300 0.436 0.000 2.604 300 C HA 0.370 5.075 4.460 0.124 -0.170 0.396 300 C C -0.000 174.957 174.990 -0.054 0.000 1.282 300 C CA -0.124 58.938 59.018 0.073 0.000 2.292 300 C CB 0.270 27.870 27.740 -0.233 0.000 2.633 300 C HN -0.003 8.596 8.230 0.495 -0.072 0.620 301 F N 4.101 124.044 119.950 -0.012 0.000 2.429 301 F HA 0.110 4.518 4.527 -0.198 0.000 0.348 301 F C 0.632 176.392 175.800 -0.066 0.000 1.109 301 F CA 1.935 59.824 58.000 -0.185 0.000 1.232 301 F CB 0.471 39.150 39.000 -0.535 0.000 1.157 301 F HN -0.079 8.368 8.300 0.245 0.000 0.564 302 H N 0.115 119.171 119.070 -0.025 0.000 4.884 302 H HA -0.450 4.091 4.556 -0.026 0.000 0.061 302 H C 0.182 175.499 175.328 -0.018 0.000 0.590 302 H CA 3.570 59.605 56.048 -0.021 0.000 0.961 302 H CB -1.353 28.418 29.762 0.015 0.000 0.443 302 H HN 0.469 8.653 8.280 -0.161 0.000 0.794 303 C N -0.185 119.199 119.300 0.140 0.000 2.539 303 C HA -0.012 4.458 4.460 0.017 0.000 0.271 303 C C 0.905 175.871 174.990 -0.039 0.000 1.412 303 C CA -0.745 58.296 59.018 0.038 0.000 1.729 303 C CB -0.886 26.889 27.740 0.058 0.000 1.739 303 C HN -0.056 8.234 8.230 0.206 0.063 0.570 304 G N 2.142 110.921 108.800 -0.036 0.000 2.447 304 G HA2 -0.455 3.638 3.960 -0.074 0.000 0.293 304 G HA3 -0.455 3.445 3.960 -0.101 0.000 0.293 304 G C -0.243 174.616 174.900 -0.069 0.000 0.894 304 G CA 0.740 45.797 45.100 -0.072 0.000 1.066 304 G HN -0.368 7.832 8.290 -0.017 0.079 0.503 305 G N -1.060 107.749 108.800 0.016 0.000 2.351 305 G HA2 -0.027 3.840 3.960 -0.155 0.000 0.287 305 G HA3 -0.027 3.997 3.960 0.108 0.000 0.287 305 G C -1.025 173.920 174.900 0.075 0.000 1.159 305 G CA -0.666 44.442 45.100 0.014 0.000 0.929 305 G HN -0.826 7.494 8.290 0.073 0.014 0.435 306 G N 4.634 113.373 108.800 -0.102 0.000 2.350 306 G HA2 0.383 4.426 3.960 -0.114 0.000 0.306 306 G HA3 0.383 4.245 3.960 -0.163 0.000 0.306 306 G C -1.346 173.377 174.900 -0.296 0.000 1.094 306 G CA -0.525 44.479 45.100 -0.159 0.000 0.953 306 G HN 0.042 8.237 8.290 -0.159 0.000 0.420 307 L N 6.701 127.689 121.223 -0.392 0.000 2.356 307 L HA 0.353 4.349 4.340 -0.573 0.000 0.277 307 L C -0.898 175.662 176.870 -0.516 0.000 0.996 307 L CA -0.725 53.755 54.840 -0.600 0.000 0.822 307 L CB 2.140 43.648 42.059 -0.918 0.000 1.256 307 L HN -0.167 7.835 8.230 -0.379 0.000 0.413 308 T N 2.785 117.100 114.554 -0.398 0.000 2.912 308 T HA 0.110 4.397 4.350 -0.104 0.000 0.299 308 T C -1.013 173.612 174.700 -0.124 0.000 1.052 308 T CA -1.205 60.779 62.100 -0.193 0.000 0.996 308 T CB 1.114 69.907 68.868 -0.125 0.000 1.070 308 T HN 0.248 8.247 8.240 -0.402 0.000 0.465 309 D N 4.441 124.882 120.400 0.068 0.000 2.800 309 D HA -0.271 4.583 4.640 0.244 -0.067 0.248 309 D C -0.330 176.052 176.300 0.136 0.000 1.091 309 D CA 1.138 55.221 54.000 0.140 0.000 0.746 309 D CB -1.280 39.559 40.800 0.064 0.000 1.062 309 D HN 0.268 9.068 8.370 0.181 -0.321 0.431 310 W N -2.310 118.993 121.300 0.005 0.000 1.731 310 W HA -0.289 4.344 4.660 -0.044 0.000 0.334 310 W C 1.036 177.525 176.519 -0.050 0.000 1.377 310 W CA 0.807 58.084 57.345 -0.113 0.000 1.549 310 W CB 0.158 29.299 29.460 -0.532 0.000 1.420 310 W HN -0.456 8.110 8.180 0.643 0.000 0.729 311 K N -0.409 120.126 120.400 0.224 0.000 2.123 311 K HA 0.328 4.731 4.320 0.138 0.000 0.259 311 K C -1.197 175.466 176.600 0.106 0.000 0.960 311 K CA -2.691 53.685 56.287 0.148 0.000 0.872 311 K CB 1.516 34.101 32.500 0.142 0.000 1.079 311 K HN 0.102 8.529 8.250 0.295 0.000 0.440 312 P HA -0.186 4.281 4.420 0.078 0.000 0.218 312 P C -0.636 176.701 177.300 0.061 0.000 1.146 312 P CA 1.371 64.516 63.100 0.074 0.000 0.813 312 P CB 0.555 32.296 31.700 0.068 0.000 0.778 313 S N -2.417 113.326 115.700 0.071 0.000 2.542 313 S HA 0.099 4.605 4.470 0.060 0.000 0.245 313 S C -1.580 173.080 174.600 0.100 0.000 1.325 313 S CA -0.328 57.914 58.200 0.071 0.000 1.176 313 S CB -0.392 62.845 63.200 0.061 0.000 1.045 313 S HN -0.410 7.915 8.310 0.081 0.034 0.481 314 E N 1.725 121.992 120.200 0.113 0.000 2.357 314 E HA 0.164 4.622 4.350 0.179 0.000 0.264 314 E C -2.848 173.864 176.600 0.187 0.000 1.164 314 E CA -0.653 55.856 56.400 0.180 0.000 0.893 314 E CB 2.820 32.673 29.700 0.254 0.000 1.619 314 E HN -0.062 8.348 8.360 0.083 0.000 0.464 315 D N -1.825 118.755 120.400 0.300 0.000 2.655 315 D HA 0.378 5.123 4.640 0.176 0.000 0.229 315 D C -1.607 175.012 176.300 0.531 0.000 1.229 315 D CA -1.746 52.438 54.000 0.307 0.000 0.807 315 D CB 2.288 43.262 40.800 0.290 0.000 1.514 315 D HN -0.153 8.441 8.370 0.373 0.000 0.444 316 P HA -0.241 4.854 4.420 1.126 0.000 0.217 316 P C 0.380 178.113 177.300 0.721 0.000 1.162 316 P CA 3.209 66.742 63.100 0.720 0.000 0.901 316 P CB 0.317 32.309 31.700 0.488 0.000 0.793 317 W N -4.344 117.199 121.300 0.406 0.000 2.354 317 W HA -0.270 4.729 4.660 0.564 0.000 0.315 317 W C 1.970 178.803 176.519 0.522 0.000 1.206 317 W CA 3.872 61.495 57.345 0.464 0.000 1.290 317 W CB -0.328 29.325 29.460 0.321 0.000 1.152 317 W HN 0.204 8.872 8.180 0.814 0.000 0.489 318 E N -2.701 117.903 120.200 0.674 0.000 2.097 318 E HA -0.541 4.076 4.350 0.445 0.000 0.196 318 E C 2.206 179.085 176.600 0.464 0.000 1.000 318 E CA 3.374 60.066 56.400 0.487 0.000 0.804 318 E CB -0.771 29.160 29.700 0.384 0.000 0.740 318 E HN 0.021 8.783 8.360 0.670 0.000 0.454 319 Q N -0.765 119.385 119.800 0.582 0.000 1.916 319 Q HA -0.241 4.401 4.340 0.504 0.000 0.203 319 Q C 2.291 178.661 176.000 0.618 0.000 0.983 319 Q CA 2.850 58.993 55.803 0.567 0.000 0.846 319 Q CB -0.031 28.991 28.738 0.473 0.000 0.909 319 Q HN 0.203 8.869 8.270 0.679 0.011 0.427 320 H N -1.608 117.718 119.070 0.427 0.000 2.421 320 H HA -0.296 4.486 4.556 0.377 0.000 0.298 320 H C 1.963 177.450 175.328 0.266 0.000 1.087 320 H CA 2.588 58.819 56.048 0.304 0.000 1.330 320 H CB -0.099 29.651 29.762 -0.019 0.000 1.388 320 H HN -0.471 8.316 8.280 0.846 0.000 0.526 321 A N 0.138 122.860 122.820 -0.164 0.000 1.828 321 A HA -0.279 3.755 4.320 -0.476 0.000 0.215 321 A C 1.498 179.120 177.584 0.063 0.000 1.203 321 A CA 2.430 54.353 52.037 -0.191 0.000 0.614 321 A CB -0.705 18.338 19.000 0.072 0.000 0.844 321 A HN 0.224 8.522 8.150 0.275 0.017 0.445 322 K N -1.220 119.276 120.400 0.160 0.000 2.034 322 K HA -0.378 4.003 4.320 0.101 0.000 0.214 322 K C 2.615 179.234 176.600 0.031 0.000 1.051 322 K CA 3.013 59.359 56.287 0.099 0.000 0.931 322 K CB -0.153 32.392 32.500 0.075 0.000 0.715 322 K HN -0.631 7.755 8.250 0.227 0.000 0.446 323 W N -3.837 117.471 121.300 0.014 0.000 2.304 323 W HA -0.340 4.229 4.660 -0.151 0.000 0.315 323 W C 0.915 177.234 176.519 -0.333 0.000 1.233 323 W CA 2.908 60.203 57.345 -0.083 0.000 1.261 323 W CB 0.537 30.067 29.460 0.116 0.000 1.150 323 W HN -0.493 7.898 8.180 0.351 0.000 0.494 324 Y N -5.799 114.630 120.300 0.216 0.000 2.541 324 Y HA 0.288 4.895 4.550 0.095 0.000 0.350 324 Y C -2.270 173.623 175.900 -0.011 0.000 1.075 324 Y CA -2.481 55.676 58.100 0.094 0.000 1.302 324 Y CB 1.134 39.650 38.460 0.094 0.000 1.094 324 Y HN -0.427 7.981 8.280 0.352 0.083 0.579 325 P HA 0.006 4.456 4.420 -0.022 -0.043 0.235 325 P C -0.849 176.458 177.300 0.012 0.000 1.720 325 P CA 0.316 63.413 63.100 -0.005 0.000 1.003 325 P CB -1.750 29.907 31.700 -0.073 0.000 1.968 326 G N -1.056 107.762 108.800 0.029 0.000 5.371 326 G HA2 -0.056 3.916 3.960 0.021 0.000 0.208 326 G HA3 -0.056 3.940 3.960 0.062 0.000 0.208 326 G C -1.540 173.375 174.900 0.024 0.000 0.815 326 G CA 0.688 45.809 45.100 0.035 0.000 0.735 326 G HN 0.361 8.598 8.290 0.020 0.065 0.284 327 C N 2.715 122.001 119.300 -0.023 0.000 2.345 327 C HA 0.191 4.674 4.460 0.038 0.000 0.349 327 C C 0.860 175.859 174.990 0.015 0.000 1.130 327 C CA -2.094 56.921 59.018 -0.005 0.000 1.574 327 C CB -1.489 26.205 27.740 -0.077 0.000 2.108 327 C HN 0.102 8.289 8.230 -0.072 0.000 0.516 328 K N 9.204 129.625 120.400 0.034 0.000 2.052 328 K HA -0.466 3.851 4.320 -0.004 0.000 0.215 328 K C 1.495 178.073 176.600 -0.037 0.000 1.053 328 K CA 3.914 60.196 56.287 -0.008 0.000 0.934 328 K CB -0.315 32.172 32.500 -0.022 0.000 0.717 328 K HN 0.035 8.318 8.250 0.055 0.000 0.450 329 Y N -2.073 118.079 120.300 -0.247 0.000 2.228 329 Y HA -0.325 3.991 4.550 -0.391 0.000 0.285 329 Y C 2.065 177.889 175.900 -0.127 0.000 1.178 329 Y CA 2.137 60.088 58.100 -0.248 0.000 1.202 329 Y CB -0.561 37.870 38.460 -0.048 0.000 0.974 329 Y HN -0.131 8.191 8.280 0.070 0.000 0.527 330 L N -0.554 120.641 121.223 -0.048 0.000 2.005 330 L HA -0.306 3.833 4.340 -0.334 0.000 0.207 330 L C 1.634 178.489 176.870 -0.026 0.000 1.072 330 L CA 3.018 57.750 54.840 -0.181 0.000 0.744 330 L CB -0.512 41.400 42.059 -0.246 0.000 0.895 330 L HN 0.084 8.170 8.230 0.024 0.159 0.433 331 L N -2.952 118.274 121.223 0.004 0.000 2.137 331 L HA -0.414 3.987 4.340 0.102 0.000 0.213 331 L C 3.129 180.016 176.870 0.028 0.000 1.085 331 L CA 2.972 57.840 54.840 0.046 0.000 0.760 331 L CB -1.568 40.505 42.059 0.024 0.000 0.893 331 L HN -0.657 7.490 8.230 -0.014 0.074 0.434 332 E N -2.971 117.202 120.200 -0.044 0.000 2.112 332 E HA -0.218 4.110 4.350 -0.038 0.000 0.190 332 E C 2.142 178.706 176.600 -0.060 0.000 0.979 332 E CA 1.807 58.160 56.400 -0.078 0.000 0.814 332 E CB -0.922 28.677 29.700 -0.169 0.000 0.762 332 E HN -0.435 7.753 8.360 -0.080 0.124 0.460 333 Q N -1.263 118.507 119.800 -0.051 0.000 1.967 333 Q HA -0.194 4.130 4.340 -0.026 0.000 0.202 333 Q C 1.512 177.610 176.000 0.163 0.000 0.985 333 Q CA 2.190 58.033 55.803 0.067 0.000 0.839 333 Q CB 0.228 29.094 28.738 0.213 0.000 0.906 333 Q HN -0.427 7.675 8.270 -0.098 0.109 0.423 334 K N -4.010 116.577 120.400 0.311 0.000 2.644 334 K HA 0.306 4.699 4.320 0.121 0.000 0.198 334 K C -1.087 175.656 176.600 0.238 0.000 1.113 334 K CA -1.129 55.282 56.287 0.207 0.000 1.073 334 K CB 0.967 33.494 32.500 0.045 0.000 0.811 334 K HN -0.333 8.208 8.250 0.485 0.000 0.508 335 G N -0.092 108.831 108.800 0.205 0.000 2.707 335 G HA2 -0.514 3.567 3.960 0.125 0.000 0.279 335 G HA3 -0.514 3.515 3.960 0.117 0.000 0.279 335 G C -0.023 174.999 174.900 0.203 0.000 1.345 335 G CA 0.388 45.583 45.100 0.158 0.000 0.912 335 G HN -0.580 7.736 8.290 0.178 0.081 0.563 336 Q N 1.537 121.421 119.800 0.139 0.000 2.248 336 Q HA -0.452 3.979 4.340 0.151 0.000 0.208 336 Q C 1.906 177.993 176.000 0.145 0.000 0.984 336 Q CA 3.366 59.249 55.803 0.133 0.000 0.875 336 Q CB -0.307 28.480 28.738 0.081 0.000 0.910 336 Q HN 0.547 8.879 8.270 0.103 0.000 0.433 337 E N 0.043 120.321 120.200 0.130 0.000 2.048 337 E HA -0.368 4.020 4.350 0.063 0.000 0.202 337 E C 2.302 178.966 176.600 0.106 0.000 1.021 337 E CA 3.394 59.852 56.400 0.096 0.000 0.825 337 E CB -0.610 29.139 29.700 0.081 0.000 0.756 337 E HN 0.020 8.417 8.360 0.122 0.036 0.454 338 Y N -1.122 119.211 120.300 0.055 0.000 2.220 338 Y HA -0.327 4.196 4.550 -0.046 0.000 0.291 338 Y C 1.982 177.984 175.900 0.169 0.000 1.129 338 Y CA 3.589 61.698 58.100 0.016 0.000 1.161 338 Y CB 0.343 38.678 38.460 -0.209 0.000 0.997 338 Y HN -0.745 7.718 8.280 0.305 0.000 0.522 339 I N -1.502 119.339 120.570 0.451 0.000 2.236 339 I HA -0.637 3.813 4.170 0.468 0.000 0.249 339 I C 2.253 178.512 176.117 0.237 0.000 1.102 339 I CA 2.209 63.723 61.300 0.356 0.000 1.365 339 I CB -1.489 36.649 38.000 0.229 0.000 1.051 339 I HN -0.589 7.824 8.210 0.440 0.061 0.420 340 N N -1.236 117.560 118.700 0.160 0.000 2.300 340 N HA -0.243 4.600 4.740 0.170 0.000 0.179 340 N C 1.919 177.470 175.510 0.068 0.000 1.016 340 N CA 2.435 55.557 53.050 0.121 0.000 0.876 340 N CB -0.132 38.401 38.487 0.077 0.000 0.979 340 N HN 0.082 8.539 8.380 0.152 0.014 0.432 341 N N 0.109 118.798 118.700 -0.017 0.000 2.091 341 N HA -0.297 4.369 4.740 -0.122 0.000 0.193 341 N C 2.081 177.568 175.510 -0.038 0.000 1.021 341 N CA 2.871 55.836 53.050 -0.141 0.000 0.862 341 N CB -0.058 38.118 38.487 -0.519 0.000 1.018 341 N HN -0.750 7.516 8.380 -0.011 0.108 0.429 342 I N -2.491 118.130 120.570 0.084 0.000 2.260 342 I HA -0.202 4.147 4.170 0.123 -0.105 0.237 342 I C 1.127 177.322 176.117 0.130 0.000 1.075 342 I CA 2.671 64.065 61.300 0.156 0.000 1.376 342 I CB 0.281 38.456 38.000 0.292 0.000 1.107 342 I HN -0.622 7.660 8.210 0.138 0.011 0.420 343 H N 1.357 120.470 119.070 0.071 0.000 3.680 343 H HA -0.140 4.431 4.556 0.026 0.000 0.204 343 H C -0.624 174.709 175.328 0.007 0.000 1.738 343 H CA 1.954 58.022 56.048 0.034 0.000 1.409 343 H CB -1.786 27.999 29.762 0.038 0.000 1.730 343 H HN -0.505 7.945 8.280 0.284 0.000 0.684 344 L N 0.615 121.759 121.223 -0.132 0.000 1.471 344 L HA -0.042 4.173 4.340 -0.208 0.000 0.149 344 L C -1.442 175.350 176.870 -0.130 0.000 1.322 344 L CA 0.695 55.453 54.840 -0.137 0.000 1.269 344 L CB 1.076 43.106 42.059 -0.048 0.000 2.567 344 L HN 0.515 8.623 8.230 -0.095 0.064 0.480 345 T N -2.732 111.760 114.554 -0.104 0.000 2.618 345 T HA 0.238 4.445 4.350 -0.239 0.000 0.286 345 T C -2.090 172.568 174.700 -0.069 0.000 1.027 345 T CA -1.329 60.667 62.100 -0.174 0.000 1.063 345 T CB 1.488 70.234 68.868 -0.203 0.000 1.440 345 T HN -0.796 7.411 8.240 -0.056 0.000 0.505 346 H N -1.390 117.663 119.070 -0.028 0.000 2.668 346 H HA 0.210 4.774 4.556 0.013 0.000 0.303 346 H C -0.719 174.593 175.328 -0.027 0.000 1.074 346 H CA -1.759 54.284 56.048 -0.009 0.000 1.406 346 H CB -0.316 29.443 29.762 -0.005 0.000 1.442 346 H HN 0.056 7.953 8.280 -0.640 0.000 0.482 347 S N 3.025 118.816 115.700 0.151 0.000 2.690 347 S HA 0.049 4.489 4.470 -0.050 0.000 0.291 347 S C -0.418 174.235 174.600 0.088 0.000 1.138 347 S CA -0.493 57.735 58.200 0.047 0.000 1.013 347 S CB 1.918 65.153 63.200 0.058 0.000 1.053 347 S HN 0.497 9.292 8.310 0.172 -0.382 0.539 348 L N -0.625 120.642 121.223 0.075 0.000 1.587 348 L HA -0.262 4.135 4.340 0.094 0.000 0.352 348 L C -0.530 176.349 176.870 0.015 0.000 1.064 348 L CA 1.260 56.156 54.840 0.093 0.000 1.224 348 L CB -0.438 41.722 42.059 0.168 0.000 0.539 348 L HN -0.090 8.147 8.230 0.012 0.000 0.241 349 E N -0.744 119.463 120.200 0.012 0.000 6.165 349 E HA -0.422 3.918 4.350 -0.015 0.000 0.190 349 E C -1.346 175.219 176.600 -0.059 0.000 1.399 349 E CA 0.905 57.291 56.400 -0.024 0.000 1.382 349 E CB 0.122 29.803 29.700 -0.031 0.000 0.979 349 E HN 0.356 8.736 8.360 0.034 0.000 0.311 350 E N 6.219 126.390 120.200 -0.048 0.000 3.010 350 E HA 0.120 4.427 4.350 -0.073 0.000 0.199 350 E C 0.082 176.652 176.600 -0.051 0.000 0.698 350 E CA -0.624 55.743 56.400 -0.056 0.000 1.360 350 E CB 1.027 30.700 29.700 -0.045 0.000 1.860 350 E HN -0.150 8.188 8.360 -0.037 0.000 0.376 351 C N -1.836 117.437 119.300 -0.045 0.000 5.102 351 C HA -0.144 4.294 4.460 -0.037 0.000 0.236 351 C C -0.161 174.806 174.990 -0.038 0.000 1.316 351 C CA 1.409 60.403 59.018 -0.039 0.000 1.394 351 C CB -0.958 26.759 27.740 -0.038 0.000 1.902 351 C HN 0.256 8.461 8.230 -0.043 0.000 0.644 352 L N -3.537 117.660 121.223 -0.044 0.000 2.642 352 L HA 0.203 4.523 4.340 -0.033 0.000 0.233 352 L C 1.215 178.063 176.870 -0.036 0.000 1.077 352 L CA 1.018 55.834 54.840 -0.040 0.000 0.879 352 L CB 0.002 42.032 42.059 -0.047 0.000 1.151 352 L HN -0.140 7.980 8.230 -0.050 0.079 0.495 353 V N -1.826 118.065 119.914 -0.039 0.000 0.588 353 V HA -0.520 3.579 4.120 -0.034 0.000 0.092 353 V C 0.743 176.817 176.094 -0.032 0.000 1.830 353 V CA 2.759 65.039 62.300 -0.033 0.000 3.401 353 V CB -1.208 30.600 31.823 -0.026 0.000 0.689 353 V HN -0.145 8.018 8.190 -0.044 0.000 0.712 354 R N 0.826 121.309 120.500 -0.028 0.000 2.437 354 R HA 0.152 4.479 4.340 -0.021 0.000 0.257 354 R C -0.836 175.451 176.300 -0.022 0.000 0.927 354 R CA -0.093 55.993 56.100 -0.022 0.000 1.078 354 R CB 0.654 30.945 30.300 -0.016 0.000 1.161 354 R HN 0.327 8.524 8.270 -0.026 0.058 0.529 355 T N -3.491 111.043 114.554 -0.033 0.000 4.290 355 T HA -0.260 4.063 4.350 -0.044 0.000 0.334 355 T C -0.169 174.520 174.700 -0.018 0.000 0.761 355 T CA 0.889 62.968 62.100 -0.034 0.000 1.950 355 T CB -0.628 68.219 68.868 -0.035 0.000 1.898 355 T HN -0.563 7.529 8.240 -0.037 0.125 0.906 356 T N 0.000 114.544 114.554 -0.017 0.000 3.816 356 T HA 0.000 4.343 4.350 -0.011 0.000 0.228 356 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 356 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 356 T HN 0.000 8.215 8.240 -0.020 0.013 0.658