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 1tfq_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 4.479 4.480 -0.001 0.000 0.227 240 M C 0.000 176.299 176.300 -0.002 0.000 1.140 240 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 240 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 241 S N 3.755 119.453 115.700 -0.002 0.000 2.686 241 S HA -0.039 4.429 4.470 -0.003 0.000 0.324 241 S C -0.237 174.360 174.600 -0.004 0.000 1.172 241 S CA 0.298 58.496 58.200 -0.003 0.000 1.127 241 S CB 0.193 63.391 63.200 -0.004 0.000 1.338 241 S HN 0.111 8.419 8.310 -0.002 0.000 0.547 242 D N 6.112 126.510 120.400 -0.003 0.000 2.123 242 D HA -0.248 4.389 4.640 -0.004 0.000 0.200 242 D C -0.049 176.248 176.300 -0.005 0.000 0.976 242 D CA 0.884 54.882 54.000 -0.004 0.000 0.831 242 D CB 0.556 41.355 40.800 -0.002 0.000 0.974 242 D HN 0.147 8.515 8.370 -0.003 0.000 0.469 243 A N -1.695 121.122 122.820 -0.005 0.000 6.647 243 A HA -0.171 4.145 4.320 -0.007 0.000 0.236 243 A C -1.472 176.108 177.584 -0.007 0.000 2.220 243 A CA 0.633 52.666 52.037 -0.007 0.000 0.695 243 A CB -0.366 18.629 19.000 -0.009 0.000 0.942 243 A HN -0.099 8.048 8.150 -0.004 0.000 0.371 244 V N -6.091 113.817 119.914 -0.009 0.000 2.763 244 V HA 0.406 4.521 4.120 -0.008 0.000 0.257 244 V C -1.091 174.996 176.094 -0.012 0.000 0.906 244 V CA 0.054 62.349 62.300 -0.009 0.000 0.894 244 V CB 0.142 31.961 31.823 -0.006 0.000 1.052 244 V HN -0.084 8.099 8.190 -0.010 0.000 0.491 245 S N 4.371 120.062 115.700 -0.015 0.000 5.096 245 S HA 0.009 4.467 4.470 -0.020 0.000 0.162 245 S C 0.068 174.654 174.600 -0.023 0.000 1.106 245 S CA 0.434 58.622 58.200 -0.020 0.000 1.330 245 S CB 0.677 63.864 63.200 -0.021 0.000 1.881 245 S HN 0.181 8.483 8.310 -0.014 0.000 0.584 246 S N 1.649 117.336 115.700 -0.022 0.000 2.464 246 S HA 0.194 4.645 4.470 -0.031 0.000 0.313 246 S C -1.108 173.479 174.600 -0.022 0.000 1.078 246 S CA 0.293 58.478 58.200 -0.025 0.000 1.096 246 S CB -0.228 62.959 63.200 -0.022 0.000 1.032 246 S HN -0.122 8.177 8.310 -0.019 0.000 0.498 247 D N 5.170 125.554 120.400 -0.027 0.000 2.712 247 D HA 0.106 4.736 4.640 -0.017 0.000 0.181 247 D C -1.335 174.949 176.300 -0.028 0.000 1.434 247 D CA 0.822 54.809 54.000 -0.021 0.000 1.446 247 D CB 1.231 42.023 40.800 -0.012 0.000 1.609 247 D HN 0.531 8.880 8.370 -0.034 0.000 0.340 248 R N -0.075 120.402 120.500 -0.038 0.000 2.716 248 R HA 0.314 4.612 4.340 -0.070 0.000 0.271 248 R C -1.360 174.873 176.300 -0.112 0.000 1.028 248 R CA -0.767 55.298 56.100 -0.058 0.000 0.883 248 R CB 1.005 31.297 30.300 -0.013 0.000 1.250 248 R HN -0.069 8.180 8.270 -0.036 0.000 0.465 249 N N 0.614 119.172 118.700 -0.237 0.000 2.364 249 N HA 0.106 4.659 4.740 -0.311 0.000 0.264 249 N C 0.274 175.571 175.510 -0.354 0.000 1.263 249 N CA -0.319 52.451 53.050 -0.467 0.000 0.959 249 N CB 0.365 38.295 38.487 -0.928 0.000 1.204 249 N HN -0.100 8.142 8.380 -0.229 0.000 0.550 250 F N -5.367 114.581 119.950 -0.002 0.000 2.576 250 F HA -0.172 4.353 4.527 -0.003 0.000 0.316 250 F C -1.250 174.548 175.800 -0.003 0.000 1.063 250 F CA -0.662 57.336 58.000 -0.003 0.000 1.093 250 F CB -2.602 36.397 39.000 -0.002 0.000 1.399 250 F HN 0.311 8.306 8.300 -0.509 0.000 0.819 251 P HA -0.203 4.244 4.420 0.046 0.000 0.215 251 P C -0.328 177.014 177.300 0.071 0.000 1.157 251 P CA 1.673 64.811 63.100 0.064 0.000 0.868 251 P CB 0.454 32.174 31.700 0.034 0.000 0.788 252 N N -6.371 112.375 118.700 0.077 0.000 2.676 252 N HA 0.037 4.807 4.740 0.051 0.000 0.301 252 N C -0.769 174.771 175.510 0.050 0.000 0.746 252 N CA 0.597 53.679 53.050 0.054 0.000 1.211 252 N CB 1.064 39.570 38.487 0.033 0.000 1.549 252 N HN -0.079 8.355 8.380 0.090 0.000 1.309 253 S N -3.780 111.951 115.700 0.051 0.000 4.419 253 S HA 0.084 4.580 4.470 0.043 0.000 0.161 253 S C -0.022 174.601 174.600 0.039 0.000 1.008 253 S CA 1.580 59.803 58.200 0.038 0.000 1.336 253 S CB -0.102 63.106 63.200 0.014 0.000 1.536 253 S HN -0.462 7.879 8.310 0.051 0.000 0.429 254 T N 1.507 116.078 114.554 0.029 0.000 2.851 254 T HA -0.070 4.293 4.350 0.021 0.000 0.262 254 T C 0.021 174.737 174.700 0.027 0.000 1.043 254 T CA 1.070 63.184 62.100 0.023 0.000 1.140 254 T CB -0.067 68.809 68.868 0.014 0.000 0.872 254 T HN -0.215 8.039 8.240 0.025 0.000 0.446 255 N N 2.913 121.631 118.700 0.029 0.000 2.411 255 N HA -0.144 4.604 4.740 0.014 0.000 0.282 255 N C -0.892 174.639 175.510 0.035 0.000 1.322 255 N CA 0.318 53.382 53.050 0.024 0.000 0.943 255 N CB -0.979 37.520 38.487 0.020 0.000 1.266 255 N HN -0.102 8.296 8.380 0.030 0.000 0.486 256 L N 5.016 126.255 121.223 0.027 0.000 2.456 256 L HA 0.122 4.496 4.340 0.056 0.000 0.257 256 L C -0.517 176.359 176.870 0.009 0.000 1.162 256 L CA -1.396 53.463 54.840 0.032 0.000 0.808 256 L CB 0.330 42.406 42.059 0.028 0.000 1.136 256 L HN -0.349 7.891 8.230 0.018 0.000 0.466 257 P HA -0.123 4.269 4.420 -0.046 0.000 0.213 257 P C -0.240 177.049 177.300 -0.019 0.000 1.170 257 P CA 1.829 64.914 63.100 -0.025 0.000 0.902 257 P CB 0.459 32.142 31.700 -0.029 0.000 0.789 258 R N -5.668 114.828 120.500 -0.008 0.000 4.105 258 R HA -0.053 4.278 4.340 -0.014 0.000 0.041 258 R C -1.812 174.491 176.300 0.004 0.000 0.789 258 R CA 0.243 56.338 56.100 -0.008 0.000 2.377 258 R CB 0.492 30.785 30.300 -0.011 0.000 1.294 258 R HN -0.547 7.723 8.270 0.000 0.000 0.464 259 N N -0.674 118.033 118.700 0.012 0.000 2.610 259 N HA -0.112 4.643 4.740 0.024 0.000 0.271 259 N C -1.820 173.711 175.510 0.035 0.000 1.146 259 N CA -0.098 52.965 53.050 0.023 0.000 0.711 259 N CB -1.576 36.925 38.487 0.024 0.000 0.883 259 N HN 0.198 8.583 8.380 0.008 0.000 0.548 260 P HA -0.238 4.213 4.420 0.052 0.000 0.213 260 P C -0.004 177.362 177.300 0.110 0.000 1.170 260 P CA 1.935 65.070 63.100 0.058 0.000 0.902 260 P CB 0.058 31.782 31.700 0.041 0.000 0.789 261 S N -2.645 113.119 115.700 0.106 0.000 4.183 261 S HA 0.010 4.668 4.470 0.313 0.000 0.195 261 S C -0.875 173.809 174.600 0.140 0.000 1.421 261 S CA 1.472 59.778 58.200 0.176 0.000 0.920 261 S CB -1.824 61.438 63.200 0.104 0.000 1.525 261 S HN 0.174 8.524 8.310 0.067 0.000 0.447 262 M N -1.331 118.338 119.600 0.115 0.000 1.510 262 M HA 0.023 4.537 4.480 0.056 0.000 0.180 262 M C -1.337 174.985 176.300 0.037 0.000 1.059 262 M CA 1.251 56.587 55.300 0.060 0.000 0.775 262 M CB 1.810 34.435 32.600 0.041 0.000 1.664 262 M HN -0.020 8.283 8.290 0.128 0.065 0.630 263 A N -2.351 120.497 122.820 0.046 0.000 2.594 263 A HA 0.246 4.584 4.320 0.031 0.000 0.292 263 A C -1.409 176.211 177.584 0.061 0.000 1.026 263 A CA 0.057 52.117 52.037 0.039 0.000 0.983 263 A CB 1.306 20.318 19.000 0.020 0.000 1.233 263 A HN -0.315 7.869 8.150 0.056 0.000 0.519 264 D N -2.363 118.093 120.400 0.094 0.000 2.829 264 D HA 0.111 4.817 4.640 0.110 0.000 0.250 264 D C 1.092 177.502 176.300 0.182 0.000 1.304 264 D CA 1.735 55.807 54.000 0.120 0.000 1.197 264 D CB 2.206 43.062 40.800 0.092 0.000 1.501 264 D HN -0.538 7.896 8.370 0.106 0.000 0.424 265 Y N 1.651 122.000 120.300 0.083 0.000 2.130 265 Y HA -0.312 4.298 4.550 0.101 0.000 0.287 265 Y C 1.238 177.211 175.900 0.121 0.000 1.124 265 Y CA 3.542 61.696 58.100 0.091 0.000 1.118 265 Y CB 0.490 38.983 38.460 0.055 0.000 0.994 265 Y HN -0.071 8.377 8.280 0.279 0.000 0.497 266 E N -1.250 118.694 120.200 -0.426 0.000 2.152 266 E HA -0.373 3.499 4.350 -0.796 0.000 0.192 266 E C 1.909 178.458 176.600 -0.084 0.000 0.983 266 E CA 2.974 59.101 56.400 -0.455 0.000 0.818 266 E CB -0.564 28.989 29.700 -0.245 0.000 0.758 266 E HN 0.187 8.512 8.360 -0.058 0.000 0.467 267 A N -1.359 121.477 122.820 0.027 0.000 1.858 267 A HA -0.354 4.056 4.320 0.150 0.000 0.216 267 A C 1.984 179.721 177.584 0.254 0.000 1.190 267 A CA 3.293 55.419 52.037 0.148 0.000 0.617 267 A CB -0.607 18.470 19.000 0.128 0.000 0.827 267 A HN 0.278 8.441 8.150 0.021 0.000 0.443 268 R N -2.227 118.424 120.500 0.252 0.000 2.082 268 R HA -0.299 4.264 4.340 0.373 0.000 0.234 268 R C 2.533 179.080 176.300 0.411 0.000 1.136 268 R CA 2.310 58.630 56.100 0.366 0.000 0.935 268 R CB -0.713 29.853 30.300 0.444 0.000 0.842 268 R HN -0.643 7.641 8.270 0.203 0.107 0.430 269 I N -0.587 120.179 120.570 0.327 0.000 2.194 269 I HA -0.430 4.017 4.170 0.461 0.000 0.246 269 I C 1.611 177.883 176.117 0.258 0.000 1.093 269 I CA 3.514 64.989 61.300 0.291 0.000 1.355 269 I CB -0.897 37.107 38.000 0.008 0.000 1.046 269 I HN -0.563 7.761 8.210 0.191 0.000 0.413 270 F N -1.886 118.093 119.950 0.048 0.000 2.202 270 F HA -0.326 4.215 4.527 0.023 0.000 0.301 270 F C 0.818 176.632 175.800 0.023 0.000 1.082 270 F CA 3.049 61.065 58.000 0.026 0.000 1.313 270 F CB 0.040 39.041 39.000 0.002 0.000 1.024 270 F HN 0.128 8.481 8.300 0.273 0.111 0.495 271 T N -1.247 113.241 114.554 -0.111 0.000 2.942 271 T HA -0.245 3.811 4.350 -0.489 0.000 0.265 271 T C 1.193 175.667 174.700 -0.376 0.000 1.062 271 T CA 2.414 64.293 62.100 -0.368 0.000 1.139 271 T CB -0.137 68.469 68.868 -0.438 0.000 0.883 271 T HN -0.027 8.126 8.240 0.100 0.146 0.468 272 F N 0.866 120.789 119.950 -0.045 0.000 2.094 272 F HA -0.207 4.361 4.527 0.069 0.000 0.291 272 F C 0.552 176.420 175.800 0.114 0.000 1.109 272 F CA 2.901 60.944 58.000 0.073 0.000 1.221 272 F CB 0.926 40.008 39.000 0.137 0.000 1.014 272 F HN -0.989 7.291 8.300 0.154 0.113 0.473 273 G N -3.406 105.561 108.800 0.278 0.000 2.440 273 G HA2 -0.199 3.812 3.960 0.085 0.000 0.684 273 G HA3 -0.199 3.880 3.960 0.198 0.000 0.684 273 G C -0.717 174.312 174.900 0.214 0.000 1.309 273 G CA -0.543 44.670 45.100 0.189 0.000 0.931 273 G HN -0.259 8.209 8.290 0.296 0.000 0.612 274 T N -0.324 114.327 114.554 0.161 0.000 2.822 274 T HA -0.316 4.083 4.350 0.082 0.000 0.270 274 T C 1.023 175.809 174.700 0.143 0.000 1.064 274 T CA 1.869 64.043 62.100 0.122 0.000 1.131 274 T CB 0.134 69.064 68.868 0.102 0.000 0.858 274 T HN 0.090 8.411 8.240 0.135 0.000 0.483 275 W N -0.138 121.182 121.300 0.034 0.000 2.226 275 W HA -0.220 4.460 4.660 0.034 0.000 0.352 275 W C -1.686 174.849 176.519 0.027 0.000 1.277 275 W CA 0.761 58.136 57.345 0.050 0.000 1.305 275 W CB 0.802 30.313 29.460 0.086 0.000 1.193 275 W HN -0.692 7.697 8.180 0.400 0.031 0.596 276 I N 2.090 122.114 120.570 -0.910 0.000 3.195 276 I HA -0.073 3.293 4.170 -1.338 0.000 0.313 276 I C -1.463 174.060 176.117 -0.990 0.000 1.237 276 I CA -1.658 59.006 61.300 -1.060 0.000 0.963 276 I CB 2.637 40.289 38.000 -0.581 0.000 1.278 276 I HN -0.233 7.536 8.210 -0.734 0.000 0.460 277 Y N -1.196 118.676 120.300 -0.713 0.000 3.032 277 Y HA 0.262 4.652 4.550 -0.266 0.000 0.232 277 Y C -0.325 175.428 175.900 -0.245 0.000 1.099 277 Y CA 0.311 58.167 58.100 -0.406 0.000 1.328 277 Y CB 0.504 38.744 38.460 -0.367 0.000 1.432 277 Y HN 0.525 7.915 8.280 -1.484 0.000 0.433 278 S N 0.488 115.934 115.700 -0.422 0.000 3.597 278 S HA 0.095 4.484 4.470 -0.134 0.000 0.206 278 S C -0.832 173.559 174.600 -0.348 0.000 0.948 278 S CA 0.233 58.286 58.200 -0.244 0.000 0.863 278 S CB 0.706 63.853 63.200 -0.088 0.000 1.015 278 S HN -0.286 7.404 8.310 -1.033 0.000 0.616 279 V N 0.198 119.830 119.914 -0.470 0.000 3.204 279 V HA 0.355 4.298 4.120 -0.296 0.000 0.316 279 V C -1.867 173.918 176.094 -0.515 0.000 1.160 279 V CA -2.144 59.927 62.300 -0.382 0.000 1.044 279 V CB 2.624 34.298 31.823 -0.249 0.000 1.136 279 V HN -0.558 7.285 8.190 -0.578 0.000 0.455 280 N N 0.937 119.430 118.700 -0.345 0.000 2.411 280 N HA -0.061 4.461 4.740 -0.364 0.000 0.261 280 N C 1.394 176.669 175.510 -0.391 0.000 1.248 280 N CA 1.254 54.114 53.050 -0.318 0.000 0.885 280 N CB 0.049 38.447 38.487 -0.149 0.000 1.062 280 N HN 0.114 8.345 8.380 -0.248 0.000 0.471 281 K N 4.360 124.453 120.400 -0.511 0.000 2.160 281 K HA -0.448 3.358 4.320 -0.856 0.000 0.206 281 K C 1.629 177.970 176.600 -0.432 0.000 1.047 281 K CA 4.384 60.246 56.287 -0.708 0.000 0.930 281 K CB -0.332 31.671 32.500 -0.829 0.000 0.720 281 K HN 0.719 8.675 8.250 -0.490 0.000 0.450 282 E N -1.884 118.239 120.200 -0.128 0.000 2.085 282 E HA -0.418 4.020 4.350 0.147 0.000 0.194 282 E C 2.233 178.869 176.600 0.060 0.000 0.994 282 E CA 3.040 59.489 56.400 0.081 0.000 0.801 282 E CB -1.139 28.726 29.700 0.275 0.000 0.743 282 E HN 0.462 8.728 8.360 -0.112 0.027 0.453 283 Q N 0.156 119.947 119.800 -0.014 0.000 2.061 283 Q HA -0.300 4.078 4.340 0.064 0.000 0.204 283 Q C 2.533 178.572 176.000 0.065 0.000 0.984 283 Q CA 2.887 58.701 55.803 0.018 0.000 0.846 283 Q CB -0.142 28.575 28.738 -0.035 0.000 0.902 283 Q HN -0.468 7.666 8.270 -0.071 0.094 0.421 284 L N -1.521 119.676 121.223 -0.044 0.000 2.042 284 L HA -0.412 4.024 4.340 0.161 0.000 0.210 284 L C 2.056 179.118 176.870 0.321 0.000 1.076 284 L CA 3.386 58.259 54.840 0.056 0.000 0.749 284 L CB -0.234 41.655 42.059 -0.283 0.000 0.893 284 L HN -0.656 7.391 8.230 -0.186 0.071 0.432 285 A N -1.778 121.193 122.820 0.251 0.000 1.930 285 A HA -0.202 4.621 4.320 0.625 -0.128 0.217 285 A C 2.940 180.712 177.584 0.313 0.000 1.175 285 A CA 2.451 54.752 52.037 0.440 0.000 0.627 285 A CB -0.622 18.684 19.000 0.510 0.000 0.815 285 A HN 0.244 8.355 8.150 0.062 0.076 0.443 286 R N -1.214 119.417 120.500 0.219 0.000 2.091 286 R HA -0.353 4.041 4.340 0.091 0.000 0.238 286 R C 2.101 178.487 176.300 0.144 0.000 1.136 286 R CA 2.950 59.138 56.100 0.146 0.000 0.959 286 R CB -0.016 30.369 30.300 0.143 0.000 0.856 286 R HN 0.099 8.405 8.270 0.199 0.083 0.437 287 A N -3.471 119.487 122.820 0.231 0.000 1.908 287 A HA -0.163 4.316 4.320 0.265 0.000 0.218 287 A C -0.762 176.806 177.584 -0.027 0.000 1.181 287 A CA 1.883 54.027 52.037 0.178 0.000 0.627 287 A CB 0.370 19.525 19.000 0.258 0.000 0.818 287 A HN -0.568 7.739 8.150 0.271 0.006 0.445 288 G N -6.426 102.371 108.800 -0.006 0.000 2.556 288 G HA2 -0.065 3.990 3.960 0.159 0.000 0.231 288 G HA3 -0.065 3.762 3.960 -0.221 0.000 0.231 288 G C -2.041 172.741 174.900 -0.197 0.000 1.687 288 G CA -0.464 44.601 45.100 -0.058 0.000 0.917 288 G HN -0.908 7.374 8.290 0.150 0.098 0.492 289 F N 0.120 120.255 119.950 0.308 0.000 2.588 289 F HA 0.777 5.506 4.527 0.068 -0.162 0.314 289 F C -1.627 174.376 175.800 0.339 0.000 1.069 289 F CA -1.990 56.164 58.000 0.257 0.000 0.931 289 F CB 5.002 44.231 39.000 0.382 0.000 1.260 289 F HN -0.463 7.977 8.300 0.433 0.120 0.465 290 Y N 2.343 122.726 120.300 0.138 0.000 2.399 290 Y HA 0.233 4.786 4.550 0.005 0.000 0.327 290 Y C -3.004 172.684 175.900 -0.353 0.000 1.111 290 Y CA -0.582 57.445 58.100 -0.122 0.000 1.047 290 Y CB 3.779 42.077 38.460 -0.270 0.000 1.259 290 Y HN 0.251 8.711 8.280 0.300 0.000 0.434 291 A N 7.324 129.288 122.820 -1.427 0.000 2.407 291 A HA 0.126 4.101 4.320 -0.794 -0.131 0.248 291 A C -1.207 175.573 177.584 -1.341 0.000 1.082 291 A CA -0.370 50.926 52.037 -1.234 0.000 0.785 291 A CB 0.878 19.128 19.000 -1.251 0.000 1.020 291 A HN -0.037 7.143 8.150 -1.616 0.000 0.489 292 L N 1.591 122.379 121.223 -0.724 0.000 2.978 292 L HA 0.157 4.177 4.340 -0.534 0.000 0.239 292 L C 1.183 177.874 176.870 -0.298 0.000 1.293 292 L CA -0.756 53.811 54.840 -0.455 0.000 1.085 292 L CB -0.910 41.021 42.059 -0.214 0.000 1.432 292 L HN -0.225 7.695 8.230 -0.516 0.000 0.512 293 G N -0.323 108.263 108.800 -0.357 0.000 3.206 293 G HA2 -0.412 3.383 3.960 -0.276 0.000 0.217 293 G HA3 -0.412 3.439 3.960 -0.183 0.000 0.217 293 G C -0.056 174.703 174.900 -0.235 0.000 1.350 293 G CA -0.020 44.928 45.100 -0.254 0.000 0.836 293 G HN 0.161 8.062 8.290 -0.507 0.085 0.548 294 E N 4.036 124.112 120.200 -0.206 0.000 2.360 294 E HA 0.034 4.279 4.350 -0.175 0.000 0.269 294 E C 0.309 176.787 176.600 -0.202 0.000 1.022 294 E CA -0.070 56.218 56.400 -0.186 0.000 0.887 294 E CB 0.794 30.398 29.700 -0.160 0.000 0.990 294 E HN -0.324 7.843 8.360 -0.199 0.073 0.426 295 G N 1.563 110.230 108.800 -0.223 0.000 2.484 295 G HA2 -0.197 3.696 3.960 -0.112 0.000 0.235 295 G HA3 -0.197 3.510 3.960 -0.422 0.000 0.235 295 G C 0.069 174.776 174.900 -0.321 0.000 1.282 295 G CA -0.210 44.725 45.100 -0.275 0.000 0.857 295 G HN 0.227 8.383 8.290 -0.222 0.000 0.571 296 D N 1.616 121.919 120.400 -0.162 0.000 3.821 296 D HA -0.524 4.426 4.640 0.516 0.000 0.204 296 D C -0.360 175.986 176.300 0.078 0.000 1.303 296 D CA 2.505 56.535 54.000 0.049 0.000 2.340 296 D CB -0.685 39.996 40.800 -0.198 0.000 1.233 296 D HN 0.314 8.782 8.370 0.163 0.000 0.420 297 K N 3.366 123.730 120.400 -0.060 0.000 2.320 297 K HA -0.339 3.944 4.320 -0.061 0.000 0.273 297 K C -1.468 175.080 176.600 -0.087 0.000 1.146 297 K CA 0.872 57.112 56.287 -0.078 0.000 1.144 297 K CB -0.493 31.936 32.500 -0.119 0.000 0.878 297 K HN -0.210 7.892 8.250 -0.126 0.073 0.458 298 V N 6.068 125.972 119.914 -0.016 0.000 2.789 298 V HA 0.473 4.609 4.120 -0.156 -0.110 0.311 298 V C -2.688 173.448 176.094 0.069 0.000 1.073 298 V CA -2.937 59.362 62.300 -0.002 0.000 0.921 298 V CB 4.290 36.243 31.823 0.216 0.000 1.009 298 V HN -0.132 8.063 8.190 0.007 0.000 0.426 299 K N 5.370 125.825 120.400 0.092 0.000 2.340 299 K HA 0.435 4.867 4.320 0.186 0.000 0.244 299 K C -1.599 175.118 176.600 0.195 0.000 0.973 299 K CA -2.211 54.157 56.287 0.135 0.000 0.828 299 K CB 4.067 36.562 32.500 -0.008 0.000 1.226 299 K HN -0.243 8.005 8.250 -0.003 0.000 0.437 300 C N -0.049 119.323 119.300 0.121 0.000 2.595 300 C HA 0.412 4.824 4.460 -0.413 -0.200 0.384 300 C C 0.165 174.993 174.990 -0.271 0.000 1.289 300 C CA 1.116 60.020 59.018 -0.191 0.000 2.372 300 C CB 0.277 27.913 27.740 -0.174 0.000 2.593 300 C HN -0.164 8.155 8.230 0.150 0.000 0.639 301 F N 2.685 122.492 119.950 -0.238 0.000 2.411 301 F HA 0.240 4.553 4.527 -0.357 0.000 0.350 301 F C 0.312 175.879 175.800 -0.390 0.000 1.114 301 F CA 0.207 57.963 58.000 -0.407 0.000 1.135 301 F CB 0.642 39.327 39.000 -0.525 0.000 1.120 301 F HN -0.168 8.012 8.300 -0.201 0.000 0.495 302 H N 0.985 120.162 119.070 0.179 0.000 4.856 302 H HA -0.564 4.035 4.556 0.071 0.000 0.059 302 H C 0.539 175.887 175.328 0.033 0.000 0.596 302 H CA 2.933 59.029 56.048 0.079 0.000 0.946 302 H CB -1.867 27.930 29.762 0.057 0.000 0.453 302 H HN 0.577 8.775 8.280 -0.136 0.000 0.801 303 C N 1.027 120.421 119.300 0.157 0.000 2.410 303 C HA -0.170 4.347 4.460 0.094 0.000 0.281 303 C C 0.921 175.919 174.990 0.013 0.000 1.318 303 C CA 0.675 59.751 59.018 0.096 0.000 1.776 303 C CB -0.387 27.451 27.740 0.162 0.000 1.942 303 C HN -0.141 8.146 8.230 0.187 0.054 0.508 304 G N 0.673 109.467 108.800 -0.010 0.000 2.615 304 G HA2 -0.196 3.731 3.960 -0.055 0.000 0.218 304 G HA3 -0.196 3.706 3.960 -0.097 0.000 0.218 304 G C -1.235 173.630 174.900 -0.059 0.000 1.339 304 G CA -0.517 44.546 45.100 -0.061 0.000 0.884 304 G HN -0.377 7.884 8.290 -0.003 0.027 0.559 305 G N -1.966 106.765 108.800 -0.114 0.000 3.450 305 G HA2 -0.232 3.636 3.960 -0.152 0.000 0.668 305 G HA3 -0.232 3.700 3.960 -0.046 0.000 0.668 305 G C -0.439 174.454 174.900 -0.012 0.000 0.941 305 G CA -0.659 44.387 45.100 -0.090 0.000 0.766 305 G HN -0.042 8.164 8.290 -0.141 0.000 0.451 306 G N 2.333 111.093 108.800 -0.067 0.000 2.338 306 G HA2 0.627 4.603 3.960 0.026 0.000 0.298 306 G HA3 0.627 4.543 3.960 -0.073 0.000 0.298 306 G C -1.163 173.672 174.900 -0.109 0.000 1.140 306 G CA -0.861 44.211 45.100 -0.047 0.000 0.860 306 G HN 0.028 8.251 8.290 -0.111 0.000 0.470 307 L N 5.494 126.675 121.223 -0.070 0.000 2.295 307 L HA 0.332 4.476 4.340 -0.327 0.000 0.285 307 L C -0.914 175.811 176.870 -0.241 0.000 1.035 307 L CA -0.817 53.876 54.840 -0.246 0.000 0.806 307 L CB 1.528 43.381 42.059 -0.344 0.000 1.214 307 L HN 0.273 8.527 8.230 0.040 0.000 0.426 308 T N 1.755 116.130 114.554 -0.298 0.000 2.894 308 T HA 0.173 4.594 4.350 -0.106 -0.134 0.309 308 T C -0.818 173.771 174.700 -0.185 0.000 1.208 308 T CA -1.158 60.833 62.100 -0.182 0.000 1.016 308 T CB 1.787 70.579 68.868 -0.127 0.000 1.192 308 T HN 0.126 8.152 8.240 -0.356 0.000 0.491 309 D N 7.003 127.365 120.400 -0.064 0.000 2.990 309 D HA -0.346 4.333 4.640 0.066 0.000 0.245 309 D C -0.394 175.904 176.300 -0.004 0.000 1.120 309 D CA 1.393 55.391 54.000 -0.003 0.000 0.838 309 D CB -0.525 40.261 40.800 -0.023 0.000 1.000 309 D HN 0.388 9.170 8.370 -0.011 -0.418 0.420 310 W N -1.634 119.623 121.300 -0.072 0.000 1.979 310 W HA -0.181 4.470 4.660 -0.015 0.000 0.359 310 W C -0.032 176.507 176.519 0.033 0.000 1.354 310 W CA 0.673 57.985 57.345 -0.054 0.000 1.359 310 W CB 0.594 29.931 29.460 -0.205 0.000 1.248 310 W HN -0.066 8.261 8.180 0.245 0.000 0.641 311 K N 0.792 121.440 120.400 0.414 0.000 2.259 311 K HA 0.441 4.887 4.320 0.210 0.000 0.252 311 K C -2.271 174.492 176.600 0.272 0.000 0.936 311 K CA -3.053 53.397 56.287 0.271 0.000 0.810 311 K CB 1.858 34.481 32.500 0.206 0.000 1.143 311 K HN 0.282 8.909 8.250 0.629 0.000 0.427 312 P HA -0.139 4.359 4.420 0.130 0.000 0.263 312 P C -0.474 176.895 177.300 0.114 0.000 1.195 312 P CA 0.326 63.506 63.100 0.133 0.000 0.762 312 P CB 0.012 31.769 31.700 0.095 0.000 0.799 313 S N 1.379 117.127 115.700 0.080 0.000 3.551 313 S HA -0.336 4.149 4.470 0.025 0.000 0.547 313 S C -1.591 173.081 174.600 0.119 0.000 0.699 313 S CA 1.223 59.461 58.200 0.064 0.000 1.399 313 S CB -0.079 63.151 63.200 0.051 0.000 0.922 313 S HN 0.191 8.533 8.310 0.053 0.000 0.818 314 E N 3.529 123.811 120.200 0.136 0.000 2.381 314 E HA 0.092 4.566 4.350 0.207 0.000 0.286 314 E C -2.328 174.398 176.600 0.209 0.000 0.960 314 E CA -0.768 55.772 56.400 0.233 0.000 0.793 314 E CB 2.504 32.452 29.700 0.412 0.000 1.225 314 E HN -0.325 8.080 8.360 0.074 0.000 0.420 315 D N 3.383 123.940 120.400 0.261 0.000 2.229 315 D HA 0.353 5.094 4.640 0.169 0.000 0.249 315 D C -0.271 176.300 176.300 0.450 0.000 1.027 315 D CA -1.810 52.352 54.000 0.270 0.000 0.923 315 D CB 1.054 42.007 40.800 0.253 0.000 1.174 315 D HN 0.274 8.804 8.370 0.267 0.000 0.443 316 P HA -0.028 4.984 4.420 0.988 0.000 0.219 316 P C 1.426 179.123 177.300 0.662 0.000 1.154 316 P CA 1.904 65.429 63.100 0.708 0.000 0.826 316 P CB 0.389 32.469 31.700 0.634 0.000 0.795 317 W N -0.317 121.202 121.300 0.366 0.000 2.332 317 W HA -0.342 4.537 4.660 0.366 0.000 0.321 317 W C 2.001 178.734 176.519 0.355 0.000 1.219 317 W CA 4.292 61.845 57.345 0.346 0.000 1.277 317 W CB -0.619 29.004 29.460 0.272 0.000 1.161 317 W HN 0.013 8.647 8.180 0.756 0.000 0.476 318 E N -3.519 117.014 120.200 0.555 0.000 2.072 318 E HA -0.361 4.197 4.350 0.347 0.000 0.190 318 E C 2.195 178.971 176.600 0.294 0.000 0.982 318 E CA 3.150 59.772 56.400 0.369 0.000 0.803 318 E CB -0.583 29.292 29.700 0.292 0.000 0.755 318 E HN -0.020 8.680 8.360 0.566 0.000 0.453 319 Q N -0.266 119.767 119.800 0.388 0.000 1.948 319 Q HA -0.334 4.140 4.340 0.223 0.000 0.205 319 Q C 1.799 178.014 176.000 0.358 0.000 0.992 319 Q CA 2.881 58.900 55.803 0.361 0.000 0.849 319 Q CB -0.451 28.599 28.738 0.520 0.000 0.918 319 Q HN -0.620 7.933 8.270 0.471 0.000 0.421 320 H N -0.067 119.244 119.070 0.402 0.000 2.352 320 H HA -0.326 4.482 4.556 0.419 0.000 0.299 320 H C 1.726 177.175 175.328 0.202 0.000 1.097 320 H CA 3.348 59.596 56.048 0.334 0.000 1.311 320 H CB -0.158 29.739 29.762 0.225 0.000 1.377 320 H HN -0.205 8.491 8.280 0.693 0.000 0.504 321 A N -1.413 121.288 122.820 -0.199 0.000 1.978 321 A HA -0.294 3.689 4.320 -0.562 0.000 0.220 321 A C 0.985 178.417 177.584 -0.253 0.000 1.170 321 A CA 2.611 54.483 52.037 -0.275 0.000 0.636 321 A CB -0.813 18.216 19.000 0.047 0.000 0.810 321 A HN -0.397 7.854 8.150 0.182 0.009 0.448 322 K N -3.112 117.191 120.400 -0.162 0.000 2.044 322 K HA -0.172 3.937 4.320 -0.351 0.000 0.204 322 K C 1.154 177.526 176.600 -0.380 0.000 1.049 322 K CA 1.876 57.995 56.287 -0.280 0.000 0.945 322 K CB 0.434 32.809 32.500 -0.208 0.000 0.724 322 K HN -0.648 7.456 8.250 -0.046 0.119 0.440 323 W N -4.162 117.004 121.300 -0.223 0.000 2.355 323 W HA -0.318 4.176 4.660 -0.277 0.000 0.309 323 W C 0.999 177.251 176.519 -0.446 0.000 1.206 323 W CA 1.747 58.948 57.345 -0.239 0.000 1.284 323 W CB 1.022 30.464 29.460 -0.029 0.000 1.145 323 W HN -0.666 7.525 8.180 0.018 0.000 0.502 324 Y N -5.399 114.909 120.300 0.012 0.000 2.389 324 Y HA 0.234 4.741 4.550 -0.073 0.000 0.333 324 Y C -2.573 173.165 175.900 -0.270 0.000 1.168 324 Y CA -1.750 56.306 58.100 -0.073 0.000 1.383 324 Y CB 1.786 40.275 38.460 0.047 0.000 1.146 324 Y HN 0.067 8.358 8.280 0.019 0.000 0.503 325 P HA 0.051 4.210 4.420 -0.435 0.000 0.263 325 P C -0.824 176.489 177.300 0.022 0.000 1.601 325 P CA -0.001 62.981 63.100 -0.196 0.000 1.161 325 P CB -1.173 30.444 31.700 -0.138 0.000 1.730 326 G N 1.387 110.273 108.800 0.144 0.000 5.253 326 G HA2 0.116 4.143 3.960 0.113 0.000 0.238 326 G HA3 0.116 4.165 3.960 0.148 0.000 0.238 326 G C -1.709 173.305 174.900 0.190 0.000 0.867 326 G CA 0.069 45.265 45.100 0.160 0.000 0.717 326 G HN -0.118 8.312 8.290 0.233 0.000 0.405 327 C N -0.011 119.431 119.300 0.236 0.000 2.405 327 C HA 0.161 4.686 4.460 0.109 0.000 0.365 327 C C 0.821 175.844 174.990 0.054 0.000 1.233 327 C CA 0.009 59.086 59.018 0.098 0.000 2.230 327 C CB 1.581 29.239 27.740 -0.135 0.000 2.443 327 C HN -0.247 8.180 8.230 0.328 0.000 0.556 328 K N 4.591 125.022 120.400 0.053 0.000 1.967 328 K HA -0.318 3.999 4.320 -0.006 0.000 0.212 328 K C 1.741 178.355 176.600 0.025 0.000 1.044 328 K CA 3.937 60.230 56.287 0.009 0.000 0.942 328 K CB 0.127 32.583 32.500 -0.073 0.000 0.726 328 K HN 0.478 8.788 8.250 0.099 0.000 0.440 329 Y N 0.127 120.395 120.300 -0.053 0.000 2.207 329 Y HA -0.322 4.212 4.550 -0.025 0.000 0.287 329 Y C 1.812 177.659 175.900 -0.088 0.000 1.156 329 Y CA 3.664 61.738 58.100 -0.044 0.000 1.182 329 Y CB -0.335 38.114 38.460 -0.018 0.000 0.979 329 Y HN -0.048 8.350 8.280 0.196 0.000 0.521 330 L N -1.337 119.843 121.223 -0.071 0.000 1.970 330 L HA -0.334 3.635 4.340 -0.619 0.000 0.212 330 L C 1.973 178.648 176.870 -0.326 0.000 1.071 330 L CA 3.293 57.889 54.840 -0.407 0.000 0.751 330 L CB -0.900 40.904 42.059 -0.425 0.000 0.889 330 L HN -0.241 7.979 8.230 -0.000 0.010 0.432 331 L N -2.611 118.536 121.223 -0.127 0.000 2.046 331 L HA -0.455 3.884 4.340 -0.003 0.000 0.208 331 L C 2.645 179.494 176.870 -0.036 0.000 1.077 331 L CA 2.976 57.795 54.840 -0.035 0.000 0.747 331 L CB -0.071 41.994 42.059 0.011 0.000 0.896 331 L HN -0.602 7.584 8.230 -0.075 0.000 0.432 332 E N -2.994 117.155 120.200 -0.086 0.000 2.153 332 E HA -0.346 3.970 4.350 -0.057 0.000 0.194 332 E C 2.590 179.109 176.600 -0.135 0.000 0.988 332 E CA 2.779 59.115 56.400 -0.106 0.000 0.811 332 E CB -0.398 29.219 29.700 -0.139 0.000 0.746 332 E HN -0.268 8.036 8.360 -0.094 0.000 0.466 333 Q N -0.895 118.791 119.800 -0.190 0.000 1.948 333 Q HA -0.192 4.011 4.340 -0.228 0.000 0.205 333 Q C 1.624 177.645 176.000 0.036 0.000 0.992 333 Q CA 2.528 58.271 55.803 -0.100 0.000 0.849 333 Q CB 0.373 29.193 28.738 0.136 0.000 0.918 333 Q HN -0.242 7.772 8.270 -0.243 0.111 0.421 334 K N -3.178 117.324 120.400 0.170 0.000 2.570 334 K HA 0.277 4.607 4.320 0.016 0.000 0.210 334 K C -0.538 176.158 176.600 0.161 0.000 1.048 334 K CA -1.146 55.196 56.287 0.092 0.000 1.167 334 K CB -0.004 32.414 32.500 -0.137 0.000 0.892 334 K HN -0.569 7.868 8.250 0.312 0.000 0.480 335 G N -0.239 108.622 108.800 0.102 0.000 2.953 335 G HA2 -0.462 3.558 3.960 0.053 0.000 0.421 335 G HA3 -0.462 3.550 3.960 0.087 0.000 0.421 335 G C -0.430 174.550 174.900 0.132 0.000 1.531 335 G CA -0.053 45.102 45.100 0.092 0.000 0.971 335 G HN -0.615 7.630 8.290 0.057 0.080 0.558 336 Q N 1.154 121.010 119.800 0.093 0.000 2.181 336 Q HA -0.349 4.050 4.340 0.099 0.000 0.205 336 Q C 1.540 177.608 176.000 0.114 0.000 0.980 336 Q CA 3.761 59.620 55.803 0.094 0.000 0.862 336 Q CB -0.209 28.567 28.738 0.063 0.000 0.905 336 Q HN 0.567 8.878 8.270 0.068 0.000 0.429 337 E N 0.205 120.473 120.200 0.114 0.000 2.058 337 E HA -0.366 4.027 4.350 0.071 0.000 0.194 337 E C 1.948 178.631 176.600 0.138 0.000 0.997 337 E CA 3.121 59.583 56.400 0.104 0.000 0.801 337 E CB -0.541 29.215 29.700 0.094 0.000 0.746 337 E HN -0.143 8.256 8.360 0.104 0.023 0.450 338 Y N -0.183 120.172 120.300 0.092 0.000 2.145 338 Y HA -0.342 4.266 4.550 0.098 0.000 0.286 338 Y C 1.957 177.949 175.900 0.152 0.000 1.145 338 Y CA 3.589 61.767 58.100 0.130 0.000 1.148 338 Y CB 0.223 38.799 38.460 0.194 0.000 0.981 338 Y HN -0.762 7.709 8.280 0.318 0.000 0.507 339 I N -2.135 118.642 120.570 0.346 0.000 2.226 339 I HA -0.567 3.790 4.170 0.311 0.000 0.245 339 I C 2.046 178.231 176.117 0.114 0.000 1.100 339 I CA 1.547 62.987 61.300 0.233 0.000 1.374 339 I CB -1.561 36.538 38.000 0.165 0.000 1.057 339 I HN -0.532 7.893 8.210 0.359 0.000 0.413 340 N N -1.061 117.692 118.700 0.089 0.000 2.120 340 N HA -0.325 4.471 4.740 0.093 0.000 0.188 340 N C 1.199 176.715 175.510 0.011 0.000 1.024 340 N CA 3.705 56.791 53.050 0.060 0.000 0.852 340 N CB 0.072 38.586 38.487 0.045 0.000 1.003 340 N HN 0.181 8.624 8.380 0.105 0.000 0.424 341 N N -1.322 117.352 118.700 -0.045 0.000 2.104 341 N HA -0.286 4.403 4.740 -0.084 0.000 0.190 341 N C 1.437 176.879 175.510 -0.114 0.000 1.024 341 N CA 2.803 55.785 53.050 -0.112 0.000 0.853 341 N CB 0.312 38.677 38.487 -0.204 0.000 1.008 341 N HN -0.609 7.673 8.380 -0.033 0.078 0.424 342 I N -1.058 119.447 120.570 -0.108 0.000 2.127 342 I HA -0.452 3.671 4.170 -0.078 0.000 0.241 342 I C 1.343 177.489 176.117 0.048 0.000 1.075 342 I CA 3.684 64.963 61.300 -0.036 0.000 1.334 342 I CB 0.440 38.468 38.000 0.046 0.000 1.040 342 I HN -0.677 7.458 8.210 -0.126 0.000 0.405 343 H N 0.343 119.383 119.070 -0.051 0.000 2.970 343 H HA -0.120 4.395 4.556 -0.069 0.000 0.226 343 H C -1.167 174.127 175.328 -0.056 0.000 1.909 343 H CA 0.893 56.906 56.048 -0.059 0.000 1.388 343 H CB -1.247 28.480 29.762 -0.058 0.000 1.773 343 H HN -0.623 7.742 8.280 0.141 0.000 0.559 344 L N 1.760 122.917 121.223 -0.111 0.000 1.457 344 L HA 0.083 4.285 4.340 -0.230 0.000 0.147 344 L C -1.218 175.602 176.870 -0.084 0.000 1.318 344 L CA 0.629 55.380 54.840 -0.148 0.000 1.241 344 L CB 2.370 44.359 42.059 -0.115 0.000 2.558 344 L HN -0.062 8.090 8.230 -0.039 0.054 0.487 345 T N -2.699 111.821 114.554 -0.057 0.000 2.864 345 T HA 0.325 4.681 4.350 0.010 0.000 0.299 345 T C -2.017 172.674 174.700 -0.014 0.000 1.166 345 T CA -1.237 60.850 62.100 -0.022 0.000 1.007 345 T CB 2.383 71.225 68.868 -0.044 0.000 1.219 345 T HN -0.612 7.590 8.240 -0.064 0.000 0.506 346 H N 0.172 119.223 119.070 -0.031 0.000 2.897 346 H HA 0.076 4.625 4.556 -0.011 0.000 0.347 346 H C -0.862 174.455 175.328 -0.018 0.000 1.068 346 H CA 0.512 56.549 56.048 -0.017 0.000 1.426 346 H CB 0.414 30.169 29.762 -0.012 0.000 1.410 346 H HN 0.270 8.693 8.280 0.238 0.000 0.597 347 S N 4.149 119.764 115.700 -0.142 0.000 2.697 347 S HA 0.072 4.331 4.470 -0.351 0.000 0.289 347 S C -1.471 173.117 174.600 -0.020 0.000 1.149 347 S CA -0.681 57.410 58.200 -0.181 0.000 0.850 347 S CB 1.434 64.550 63.200 -0.139 0.000 1.151 347 S HN 0.247 8.575 8.310 0.030 0.000 0.491 348 L N -0.255 120.959 121.223 -0.015 0.000 0.656 348 L HA -0.211 4.146 4.340 0.028 0.000 0.356 348 L C -0.616 176.295 176.870 0.069 0.000 1.039 348 L CA 1.525 56.389 54.840 0.040 0.000 1.223 348 L CB -0.211 41.890 42.059 0.070 0.000 0.108 348 L HN 0.314 8.510 8.230 -0.056 0.000 0.102 349 E N -2.431 117.806 120.200 0.062 0.000 2.271 349 E HA -0.342 4.038 4.350 0.049 0.000 0.223 349 E C -2.130 174.512 176.600 0.070 0.000 1.223 349 E CA 1.379 57.819 56.400 0.066 0.000 0.704 349 E CB -0.320 29.430 29.700 0.083 0.000 1.194 349 E HN 0.292 8.682 8.360 0.050 0.000 0.375 350 E N -1.560 118.670 120.200 0.050 0.000 2.446 350 E HA 0.271 4.655 4.350 0.056 0.000 0.276 350 E C -0.874 175.742 176.600 0.027 0.000 0.969 350 E CA -1.236 55.192 56.400 0.047 0.000 0.800 350 E CB 1.849 31.577 29.700 0.047 0.000 1.341 350 E HN -0.139 8.243 8.360 0.038 0.000 0.460 351 C N 1.133 120.447 119.300 0.023 0.000 3.630 351 C HA -0.110 4.358 4.460 0.013 0.000 0.297 351 C C -0.934 174.063 174.990 0.012 0.000 1.219 351 C CA 0.428 59.455 59.018 0.014 0.000 2.284 351 C CB -0.662 27.084 27.740 0.009 0.000 1.430 351 C HN 0.448 8.696 8.230 0.029 0.000 0.573 352 L N 3.738 124.969 121.223 0.013 0.000 3.059 352 L HA 0.236 4.580 4.340 0.007 0.000 0.298 352 L C -0.507 176.367 176.870 0.007 0.000 1.304 352 L CA -1.055 53.790 54.840 0.009 0.000 0.855 352 L CB 0.159 42.225 42.059 0.012 0.000 1.266 352 L HN -0.213 8.026 8.230 0.015 0.000 0.572 353 V N -1.915 118.002 119.914 0.006 0.000 0.582 353 V HA -0.408 3.714 4.120 0.004 0.000 0.092 353 V C 0.285 176.382 176.094 0.005 0.000 1.874 353 V CA 2.403 64.706 62.300 0.005 0.000 3.418 353 V CB -0.840 30.985 31.823 0.003 0.000 0.707 353 V HN 0.218 8.412 8.190 0.006 0.000 0.732 354 R N 0.336 120.840 120.500 0.006 0.000 2.488 354 R HA 0.150 4.494 4.340 0.007 0.000 0.215 354 R C -1.437 174.867 176.300 0.006 0.000 1.293 354 R CA -0.215 55.889 56.100 0.006 0.000 1.343 354 R CB -0.131 30.171 30.300 0.004 0.000 1.425 354 R HN 0.051 8.273 8.270 0.006 0.052 0.788 355 T N -1.604 112.955 114.554 0.008 0.000 3.996 355 T HA -0.439 3.918 4.350 0.011 0.000 0.348 355 T C -0.553 174.150 174.700 0.006 0.000 0.757 355 T CA 0.526 62.631 62.100 0.008 0.000 1.898 355 T CB -1.482 67.390 68.868 0.006 0.000 1.861 355 T HN -0.004 8.242 8.240 0.010 0.000 0.821 356 T N 0.000 114.557 114.554 0.005 0.000 3.816 356 T HA 0.000 4.352 4.350 0.003 0.000 0.228 356 T CA 0.000 62.102 62.100 0.004 0.000 1.349 356 T CB 0.000 68.871 68.868 0.004 0.000 0.612 356 T HN 0.000 8.232 8.240 0.006 0.012 0.658