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 3n5a_1_A DATA FIRST_RESID 266 DATA SEQUENCE SRGELLLSLC YNPSANSIIV NIIKARNLKA MDIGGTSDPY VKVWLMYKDK DATA SEQUENCE RVEKKKTVTK KRNLNPIFNE SFAFDIPTEK LRETTIIITV MDKDKLSRND DATA SEQUENCE VIGKIYLSWK SGPGEVKHWK DMIARPRQPV AQWHQLKA 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 266 S HA 0.000 4.474 4.470 0.007 0.000 0.327 266 S C 0.000 174.603 174.600 0.005 0.000 1.055 266 S CA 0.000 58.202 58.200 0.003 0.000 1.107 266 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 267 R N 3.720 124.227 120.500 0.011 0.000 2.300 267 R HA 0.244 4.589 4.340 0.008 0.000 0.199 267 R C -0.227 176.085 176.300 0.021 0.000 0.920 267 R CA -0.891 55.217 56.100 0.012 0.000 1.046 267 R CB 0.628 30.934 30.300 0.010 0.000 0.984 267 R HN 0.612 8.892 8.270 0.015 0.000 0.493 268 G N -2.493 106.322 108.800 0.025 0.000 2.423 268 G HA2 -0.265 3.892 3.960 0.025 0.000 0.684 268 G HA3 -0.265 3.727 3.960 0.053 0.000 0.684 268 G C -2.844 172.101 174.900 0.075 0.000 1.309 268 G CA -0.707 44.419 45.100 0.042 0.000 0.950 268 G HN -0.723 7.530 8.290 0.019 0.049 0.587 269 E N -1.765 118.508 120.200 0.123 0.000 2.312 269 E HA 0.866 5.504 4.350 0.217 -0.158 0.267 269 E C -2.121 174.737 176.600 0.430 0.000 0.894 269 E CA -1.605 54.940 56.400 0.242 0.000 0.773 269 E CB 5.083 34.888 29.700 0.175 0.000 1.241 269 E HN -0.075 8.356 8.360 0.117 0.000 0.432 270 L N 2.182 123.662 121.223 0.430 0.000 2.362 270 L HA 0.517 5.162 4.340 0.298 -0.125 0.275 270 L C -2.631 174.298 176.870 0.098 0.000 0.998 270 L CA -1.042 53.966 54.840 0.280 0.000 0.820 270 L CB 4.150 46.300 42.059 0.151 0.000 1.270 270 L HN 0.433 8.901 8.230 0.396 0.000 0.415 271 L N 7.478 128.450 121.223 -0.418 0.000 2.264 271 L HA 0.620 4.845 4.340 -0.753 -0.337 0.289 271 L C -2.215 174.470 176.870 -0.308 0.000 1.044 271 L CA -1.569 52.781 54.840 -0.818 0.000 0.807 271 L CB 1.724 42.764 42.059 -1.699 0.000 1.192 271 L HN 0.675 8.661 8.230 -0.406 0.000 0.425 272 L N 2.175 123.324 121.223 -0.124 0.000 2.424 272 L HA 1.037 5.519 4.340 -0.015 -0.151 0.258 272 L C -2.165 174.771 176.870 0.111 0.000 0.995 272 L CA -1.462 53.392 54.840 0.023 0.000 0.821 272 L CB 4.093 46.210 42.059 0.096 0.000 1.383 272 L HN 0.167 8.338 8.230 -0.098 0.000 0.410 273 S N -1.602 114.154 115.700 0.094 0.000 2.568 273 S HA 0.897 5.700 4.470 0.235 -0.192 0.302 273 S C -0.816 173.850 174.600 0.109 0.000 1.082 273 S CA -2.089 56.193 58.200 0.136 0.000 1.009 273 S CB 2.844 66.081 63.200 0.063 0.000 1.069 273 S HN 0.224 8.573 8.310 0.063 0.000 0.500 274 L N -0.300 120.982 121.223 0.098 0.000 2.386 274 L HA 0.791 5.490 4.340 0.034 -0.338 0.271 274 L C -1.324 175.562 176.870 0.025 0.000 0.993 274 L CA -1.337 53.509 54.840 0.010 0.000 0.819 274 L CB 4.630 46.596 42.059 -0.155 0.000 1.294 274 L HN 0.263 8.596 8.230 0.171 0.000 0.414 275 C N 3.341 122.663 119.300 0.037 0.000 2.571 275 C HA 0.382 4.992 4.460 0.020 -0.138 0.343 275 C C -2.281 172.749 174.990 0.067 0.000 1.082 275 C CA -1.688 57.350 59.018 0.033 0.000 1.339 275 C CB 1.997 29.752 27.740 0.025 0.000 1.893 275 C HN 0.355 8.620 8.230 0.058 0.000 0.445 276 Y N 9.608 129.849 120.300 -0.098 0.000 2.331 276 Y HA 0.641 5.334 4.550 -0.063 -0.181 0.338 276 Y C -2.538 173.324 175.900 -0.063 0.000 0.992 276 Y CA -1.308 56.733 58.100 -0.098 0.000 1.121 276 Y CB 2.322 40.666 38.460 -0.194 0.000 1.184 276 Y HN 0.631 8.956 8.280 0.074 0.000 0.469 277 N N 7.334 125.635 118.700 -0.665 0.000 2.546 277 N HA 0.490 4.999 4.740 -0.384 0.000 0.238 277 N C -1.691 173.328 175.510 -0.818 0.000 0.984 277 N CA -3.652 49.074 53.050 -0.541 0.000 0.935 277 N CB 1.521 39.841 38.487 -0.277 0.000 1.122 277 N HN 0.352 8.349 8.380 -0.640 0.000 0.510 278 P HA -0.010 4.079 4.420 -0.552 0.000 0.218 278 P C 1.410 178.594 177.300 -0.194 0.000 1.149 278 P CA 1.665 64.522 63.100 -0.406 0.000 0.817 278 P CB 0.635 32.290 31.700 -0.075 0.000 0.785 279 S N 0.225 115.829 115.700 -0.160 0.000 2.382 279 S HA -0.275 4.160 4.470 -0.057 0.000 0.228 279 S C 0.797 175.348 174.600 -0.083 0.000 1.027 279 S CA 2.330 60.476 58.200 -0.089 0.000 0.991 279 S CB -0.238 62.918 63.200 -0.073 0.000 0.823 279 S HN -0.367 7.992 8.310 -0.176 -0.155 0.469 280 A N -2.194 120.552 122.820 -0.123 0.000 2.308 280 A HA 0.211 4.499 4.320 -0.054 0.000 0.217 280 A C -0.983 176.562 177.584 -0.065 0.000 1.216 280 A CA -0.552 51.434 52.037 -0.084 0.000 0.864 280 A CB 0.233 19.183 19.000 -0.083 0.000 0.902 280 A HN -0.696 7.486 8.150 -0.176 -0.137 0.499 281 N N -2.541 116.101 118.700 -0.097 0.000 2.714 281 N HA -0.361 4.482 4.740 0.067 -0.063 0.253 281 N C -1.691 173.877 175.510 0.097 0.000 1.024 281 N CA 1.380 54.447 53.050 0.028 0.000 0.726 281 N CB -2.155 36.379 38.487 0.078 0.000 0.908 281 N HN -0.525 7.588 8.380 -0.159 0.172 0.542 282 S N -4.765 110.926 115.700 -0.015 0.000 2.548 282 S HA 0.849 5.630 4.470 0.209 -0.186 0.276 282 S C -1.795 172.932 174.600 0.213 0.000 1.129 282 S CA -1.194 57.076 58.200 0.116 0.000 0.931 282 S CB 4.040 67.259 63.200 0.033 0.000 1.068 282 S HN -0.640 7.506 8.310 -0.274 0.000 0.480 283 I N 3.297 124.084 120.570 0.362 0.000 2.406 283 I HA 0.702 5.262 4.170 0.327 -0.194 0.290 283 I C -1.189 175.103 176.117 0.292 0.000 0.999 283 I CA -1.632 59.879 61.300 0.351 0.000 1.124 283 I CB 3.389 41.570 38.000 0.300 0.000 1.289 283 I HN 0.349 8.777 8.210 0.364 0.000 0.441 284 I N 7.619 128.305 120.570 0.193 0.000 2.331 284 I HA 0.471 4.939 4.170 0.209 -0.173 0.292 284 I C -0.786 175.442 176.117 0.185 0.000 0.998 284 I CA -2.955 58.449 61.300 0.173 0.000 1.267 284 I CB -0.147 37.900 38.000 0.079 0.000 1.386 284 I HN 0.605 8.905 8.210 0.149 0.000 0.476 285 V N 7.899 127.973 119.914 0.267 0.000 2.357 285 V HA 0.295 4.700 4.120 0.171 -0.183 0.284 285 V C -1.575 174.639 176.094 0.200 0.000 1.018 285 V CA -1.473 60.977 62.300 0.249 0.000 0.841 285 V CB 1.829 33.870 31.823 0.362 0.000 0.991 285 V HN 0.562 8.952 8.190 0.333 0.000 0.437 286 N N 8.140 126.902 118.700 0.104 0.000 2.437 286 N HA 0.441 5.348 4.740 -0.017 -0.177 0.259 286 N C -1.072 174.472 175.510 0.058 0.000 0.983 286 N CA -1.634 51.436 53.050 0.033 0.000 0.937 286 N CB 2.256 40.740 38.487 -0.006 0.000 1.122 286 N HN 0.123 8.559 8.380 0.093 0.000 0.499 287 I N 6.586 127.198 120.570 0.071 0.000 2.308 287 I HA 0.081 4.285 4.170 0.057 0.000 0.293 287 I C -0.478 175.689 176.117 0.083 0.000 1.078 287 I CA -1.499 59.844 61.300 0.072 0.000 1.292 287 I CB -2.120 35.920 38.000 0.067 0.000 1.423 287 I HN 0.372 8.613 8.210 0.053 0.000 0.493 288 I N 7.327 127.921 120.570 0.040 0.000 2.368 288 I HA -0.084 4.109 4.170 0.038 0.000 0.238 288 I C -0.360 175.813 176.117 0.093 0.000 1.076 288 I CA 2.547 63.858 61.300 0.018 0.000 1.397 288 I CB 1.350 39.289 38.000 -0.101 0.000 1.141 288 I HN 0.361 8.568 8.210 -0.004 0.000 0.430 289 K N -6.603 113.827 120.400 0.049 0.000 2.642 289 K HA 0.544 5.093 4.320 0.220 -0.097 0.290 289 K C -2.665 174.036 176.600 0.169 0.000 1.006 289 K CA -0.938 55.424 56.287 0.125 0.000 0.869 289 K CB 3.602 36.141 32.500 0.065 0.000 1.499 289 K HN -0.725 7.488 8.250 -0.061 0.000 0.403 290 A N -0.695 122.288 122.820 0.272 0.000 2.386 290 A HA 1.018 5.751 4.320 0.486 -0.122 0.308 290 A C -1.905 175.888 177.584 0.349 0.000 1.128 290 A CA -2.023 50.234 52.037 0.368 0.000 0.789 290 A CB 4.054 23.229 19.000 0.291 0.000 1.325 290 A HN 0.529 8.805 8.150 0.210 0.000 0.437 291 R N -2.623 118.064 120.500 0.312 0.000 2.725 291 R HA 0.552 5.119 4.340 0.101 -0.166 0.277 291 R C -0.810 175.514 176.300 0.041 0.000 0.987 291 R CA -1.850 54.313 56.100 0.106 0.000 0.901 291 R CB 3.388 33.649 30.300 -0.064 0.000 1.207 291 R HN 0.283 8.766 8.270 0.356 0.000 0.463 292 N N -1.645 117.061 118.700 0.010 0.000 2.735 292 N HA -0.461 4.276 4.740 -0.006 0.000 0.248 292 N C -0.330 175.189 175.510 0.016 0.000 1.083 292 N CA 1.476 54.523 53.050 -0.004 0.000 0.703 292 N CB -2.145 36.320 38.487 -0.037 0.000 1.005 292 N HN 0.377 9.064 8.380 0.011 -0.301 0.550 293 L N -2.342 118.903 121.223 0.036 0.000 2.483 293 L HA -0.222 4.312 4.340 0.040 -0.170 0.276 293 L C 0.624 177.506 176.870 0.021 0.000 1.213 293 L CA 0.776 55.638 54.840 0.038 0.000 0.843 293 L CB 0.302 42.392 42.059 0.051 0.000 1.107 293 L HN -0.315 7.941 8.230 0.044 0.000 0.487 294 K N 2.866 123.275 120.400 0.015 0.000 2.448 294 K HA -0.172 4.153 4.320 0.008 0.000 0.278 294 K C -0.579 176.028 176.600 0.011 0.000 1.009 294 K CA 0.189 56.482 56.287 0.009 0.000 0.995 294 K CB 1.258 33.761 32.500 0.005 0.000 0.917 294 K HN -0.226 8.034 8.250 0.016 0.000 0.481 295 A N 5.044 127.870 122.820 0.010 0.000 2.354 295 A HA 0.130 4.459 4.320 0.015 0.000 0.281 295 A C -0.248 177.342 177.584 0.011 0.000 1.174 295 A CA 0.583 52.627 52.037 0.012 0.000 0.828 295 A CB 0.317 19.323 19.000 0.010 0.000 1.099 295 A HN 0.386 8.541 8.150 0.008 0.000 0.516 296 M N 2.794 122.402 119.600 0.013 0.000 2.502 296 M HA 0.169 4.655 4.480 0.011 0.000 0.351 296 M C -0.936 175.375 176.300 0.017 0.000 1.118 296 M CA 0.130 55.438 55.300 0.013 0.000 0.952 296 M CB 1.312 33.917 32.600 0.009 0.000 1.424 296 M HN 0.293 8.593 8.290 0.016 0.000 0.529 297 D N 0.573 120.985 120.400 0.019 0.000 2.340 297 D HA 0.423 5.075 4.640 0.020 0.000 0.240 297 D C 0.945 177.254 176.300 0.016 0.000 1.001 297 D CA -1.426 52.586 54.000 0.020 0.000 0.888 297 D CB 3.713 44.527 40.800 0.024 0.000 1.310 297 D HN -0.352 8.029 8.370 0.018 0.000 0.474 298 I N -1.221 119.358 120.570 0.015 0.000 2.335 298 I HA -0.225 3.952 4.170 0.011 0.000 0.251 298 I C 0.418 176.541 176.117 0.010 0.000 1.129 298 I CA 2.126 63.433 61.300 0.012 0.000 1.402 298 I CB -0.174 37.833 38.000 0.011 0.000 1.069 298 I HN 0.168 8.388 8.210 0.016 0.000 0.424 299 G N -1.934 106.873 108.800 0.012 0.000 3.061 299 G HA2 -0.128 3.837 3.960 0.009 0.000 0.208 299 G HA3 -0.128 3.838 3.960 0.011 0.000 0.208 299 G C 0.430 175.336 174.900 0.009 0.000 1.175 299 G CA -0.344 44.762 45.100 0.010 0.000 0.812 299 G HN -0.309 7.989 8.290 0.013 0.000 0.523 300 G N -0.550 108.256 108.800 0.010 0.000 2.132 300 G HA2 -0.303 3.662 3.960 0.008 0.000 0.228 300 G HA3 -0.303 3.661 3.960 0.007 0.000 0.228 300 G C -0.828 174.078 174.900 0.011 0.000 1.000 300 G CA -0.197 44.909 45.100 0.009 0.000 0.693 300 G HN -0.309 7.920 8.290 0.011 0.068 0.515 301 T N -5.524 109.038 114.554 0.014 0.000 2.804 301 T HA 0.301 4.661 4.350 0.016 0.000 0.290 301 T C -2.218 172.496 174.700 0.023 0.000 1.099 301 T CA -2.585 59.526 62.100 0.018 0.000 1.011 301 T CB 1.928 70.807 68.868 0.018 0.000 1.291 301 T HN -0.901 7.348 8.240 0.015 0.000 0.523 302 S N -2.131 113.587 115.700 0.029 0.000 2.661 302 S HA 0.263 4.893 4.470 0.038 -0.137 0.285 302 S C -2.175 172.458 174.600 0.055 0.000 1.138 302 S CA -0.871 57.352 58.200 0.039 0.000 0.855 302 S CB 3.372 66.593 63.200 0.035 0.000 1.136 302 S HN 0.025 8.353 8.310 0.029 0.000 0.484 303 D N 2.178 122.624 120.400 0.077 0.000 2.434 303 D HA 0.882 5.739 4.640 0.097 -0.159 0.275 303 D C -2.135 174.266 176.300 0.169 0.000 1.172 303 D CA -2.226 51.841 54.000 0.111 0.000 0.916 303 D CB 1.302 42.169 40.800 0.112 0.000 1.041 303 D HN 0.128 8.876 8.370 0.076 -0.332 0.501 304 P HA 0.868 5.626 4.420 0.089 -0.284 0.284 304 P C -1.175 176.353 177.300 0.381 0.000 1.253 304 P CA -0.936 62.284 63.100 0.200 0.000 0.800 304 P CB 0.988 32.822 31.700 0.223 0.000 0.961 305 Y N -2.453 117.935 120.300 0.146 0.000 2.609 305 Y HA 0.628 5.328 4.550 0.099 -0.091 0.342 305 Y C -2.610 173.211 175.900 -0.133 0.000 1.058 305 Y CA -2.520 55.608 58.100 0.045 0.000 1.055 305 Y CB 3.341 41.825 38.460 0.041 0.000 1.292 305 Y HN -0.014 8.167 8.280 -0.165 0.000 0.476 306 V N 0.763 120.547 119.914 -0.217 0.000 2.487 306 V HA 0.617 4.697 4.120 -0.358 -0.175 0.298 306 V C -1.043 174.936 176.094 -0.191 0.000 1.028 306 V CA -1.640 60.470 62.300 -0.317 0.000 0.860 306 V CB 2.793 34.357 31.823 -0.432 0.000 0.991 306 V HN 0.363 8.442 8.190 -0.184 0.000 0.427 307 K N 5.680 125.922 120.400 -0.263 0.000 2.156 307 K HA 0.798 5.158 4.320 -0.187 -0.152 0.254 307 K C -1.404 174.940 176.600 -0.427 0.000 0.950 307 K CA -2.297 53.829 56.287 -0.268 0.000 0.849 307 K CB 3.097 35.485 32.500 -0.186 0.000 1.100 307 K HN 0.656 8.695 8.250 -0.353 0.000 0.434 308 V N 1.919 121.649 119.914 -0.307 0.000 2.443 308 V HA 0.409 4.483 4.120 -0.318 -0.145 0.293 308 V C -1.608 174.502 176.094 0.026 0.000 1.021 308 V CA -1.300 60.868 62.300 -0.220 0.000 0.848 308 V CB 2.363 34.123 31.823 -0.105 0.000 0.998 308 V HN 0.596 8.653 8.190 -0.221 0.000 0.424 309 W N 6.665 127.867 121.300 -0.163 0.000 2.429 309 W HA 0.573 5.342 4.660 -0.085 -0.160 0.314 309 W C -1.435 174.933 176.519 -0.252 0.000 1.062 309 W CA -3.224 54.033 57.345 -0.147 0.000 1.211 309 W CB 1.719 31.108 29.460 -0.117 0.000 1.305 309 W HN 0.860 8.949 8.180 -0.151 0.000 0.476 310 L N 5.070 126.261 121.223 -0.054 0.000 2.276 310 L HA 0.385 4.577 4.340 -0.247 0.000 0.286 310 L C -1.830 175.034 176.870 -0.012 0.000 1.061 310 L CA -0.999 53.736 54.840 -0.176 0.000 0.807 310 L CB 2.293 44.191 42.059 -0.269 0.000 1.177 310 L HN 0.712 8.959 8.230 0.028 0.000 0.429 311 M N 5.890 125.489 119.600 -0.001 0.000 2.508 311 M HA 0.764 5.631 4.480 0.044 -0.361 0.327 311 M C -1.150 175.210 176.300 0.099 0.000 1.160 311 M CA -2.832 52.491 55.300 0.038 0.000 0.980 311 M CB 1.923 34.534 32.600 0.018 0.000 1.693 311 M HN 0.513 8.782 8.290 -0.036 0.000 0.452 312 Y N 3.608 123.900 120.300 -0.013 0.000 2.338 312 Y HA 0.324 5.177 4.550 0.005 -0.300 0.333 312 Y C -0.897 175.001 175.900 -0.002 0.000 0.968 312 Y CA -1.483 56.618 58.100 0.001 0.000 1.123 312 Y CB 2.771 41.240 38.460 0.014 0.000 1.165 312 Y HN 0.350 8.728 8.280 0.163 0.000 0.452 313 K N 5.731 125.798 120.400 -0.555 0.000 1.931 313 K HA -0.447 3.677 4.320 -0.326 0.000 0.126 313 K C -1.272 175.227 176.600 -0.168 0.000 1.372 313 K CA 2.276 58.333 56.287 -0.382 0.000 0.483 313 K CB -1.214 31.013 32.500 -0.456 0.000 0.562 313 K HN 0.379 8.266 8.250 -0.604 0.000 0.923 314 D N -2.544 117.785 120.400 -0.118 0.000 2.325 314 D HA -0.048 4.560 4.640 -0.054 0.000 0.225 314 D C -0.236 176.041 176.300 -0.038 0.000 1.096 314 D CA 0.429 54.392 54.000 -0.062 0.000 0.844 314 D CB -0.661 40.107 40.800 -0.054 0.000 0.925 314 D HN 0.000 8.294 8.370 -0.126 0.000 0.513 315 K N 1.255 121.643 120.400 -0.020 0.000 2.156 315 K HA 0.266 4.576 4.320 -0.016 0.000 0.271 315 K C -0.630 175.972 176.600 0.004 0.000 0.995 315 K CA -1.741 54.550 56.287 0.007 0.000 0.890 315 K CB 0.970 33.509 32.500 0.066 0.000 1.073 315 K HN -0.113 8.051 8.250 -0.026 0.070 0.454 316 R N 3.862 124.333 120.500 -0.049 0.000 2.389 316 R HA -0.133 4.167 4.340 -0.067 0.000 0.295 316 R C -0.258 176.026 176.300 -0.026 0.000 1.075 316 R CA 1.171 57.222 56.100 -0.082 0.000 1.005 316 R CB 0.159 30.332 30.300 -0.212 0.000 0.987 316 R HN 0.549 8.778 8.270 -0.070 0.000 0.452 317 V N 4.928 124.848 119.914 0.010 0.000 2.743 317 V HA 0.048 4.191 4.120 0.039 0.000 0.237 317 V C -0.297 175.833 176.094 0.059 0.000 1.113 317 V CA 1.398 63.726 62.300 0.047 0.000 1.141 317 V CB 1.614 33.486 31.823 0.082 0.000 0.873 317 V HN 0.518 8.715 8.190 0.011 0.000 0.486 318 E N -2.598 117.658 120.200 0.094 0.000 2.375 318 E HA 0.233 4.644 4.350 0.102 0.000 0.280 318 E C -2.607 174.129 176.600 0.227 0.000 0.972 318 E CA -0.716 55.784 56.400 0.167 0.000 0.782 318 E CB 3.699 33.578 29.700 0.298 0.000 1.229 318 E HN -0.751 7.659 8.360 0.083 0.000 0.439 319 K N 3.611 124.128 120.400 0.195 0.000 2.378 319 K HA 0.781 5.524 4.320 0.394 -0.187 0.252 319 K C -1.221 175.470 176.600 0.152 0.000 0.931 319 K CA -1.647 54.794 56.287 0.257 0.000 0.794 319 K CB 2.664 35.273 32.500 0.182 0.000 1.181 319 K HN 0.227 8.558 8.250 0.135 0.000 0.425 320 K N 5.294 125.735 120.400 0.069 0.000 2.482 320 K HA 0.387 4.622 4.320 -0.142 0.000 0.257 320 K C -2.681 173.698 176.600 -0.369 0.000 0.969 320 K CA -1.439 54.703 56.287 -0.241 0.000 0.842 320 K CB 4.552 36.722 32.500 -0.549 0.000 1.359 320 K HN 0.506 8.833 8.250 0.128 0.000 0.441 321 K N -0.858 119.328 120.400 -0.356 0.000 2.551 321 K HA 0.963 5.277 4.320 -0.280 -0.162 0.269 321 K C -1.190 175.430 176.600 0.033 0.000 0.949 321 K CA -1.722 54.454 56.287 -0.186 0.000 0.849 321 K CB 3.713 36.221 32.500 0.013 0.000 1.411 321 K HN -0.181 7.913 8.250 -0.261 0.000 0.432 322 T N -2.403 112.222 114.554 0.119 0.000 2.754 322 T HA 0.155 4.939 4.350 0.372 -0.211 0.286 322 T C 0.960 175.765 174.700 0.175 0.000 0.997 322 T CA -0.602 61.624 62.100 0.211 0.000 0.982 322 T CB 1.323 70.142 68.868 -0.081 0.000 1.027 322 T HN 0.029 8.285 8.240 0.026 0.000 0.529 323 V N -4.694 115.355 119.914 0.226 0.000 3.376 323 V HA 0.032 4.224 4.120 0.121 0.000 0.303 323 V C -0.355 175.921 176.094 0.303 0.000 1.100 323 V CA -0.453 61.968 62.300 0.202 0.000 1.126 323 V CB 0.494 32.432 31.823 0.190 0.000 1.085 323 V HN -0.182 8.466 8.190 0.257 -0.304 0.480 324 T N 2.619 117.301 114.554 0.213 0.000 2.799 324 T HA 0.179 4.956 4.350 0.403 -0.185 0.286 324 T C -0.468 174.358 174.700 0.210 0.000 0.973 324 T CA 0.053 62.314 62.100 0.268 0.000 1.035 324 T CB 0.885 69.848 68.868 0.158 0.000 0.932 324 T HN -0.156 8.162 8.240 0.130 0.000 0.469 325 K N 7.306 127.835 120.400 0.214 0.000 2.211 325 K HA 0.256 4.606 4.320 0.050 0.000 0.275 325 K C -1.192 175.452 176.600 0.073 0.000 1.024 325 K CA -2.116 54.215 56.287 0.073 0.000 0.887 325 K CB 1.172 33.635 32.500 -0.062 0.000 1.084 325 K HN 0.299 8.727 8.250 0.296 0.000 0.463 326 K N 2.785 123.213 120.400 0.046 0.000 2.249 326 K HA -0.051 4.434 4.320 0.060 -0.129 0.280 326 K C 0.064 176.680 176.600 0.028 0.000 1.033 326 K CA 0.052 56.365 56.287 0.044 0.000 0.946 326 K CB 0.426 32.947 32.500 0.034 0.000 1.005 326 K HN 0.264 8.534 8.250 0.034 0.000 0.469 327 R N -0.514 120.006 120.500 0.034 0.000 3.188 327 R HA -0.449 3.999 4.340 0.027 -0.091 0.247 327 R C -1.446 174.862 176.300 0.014 0.000 0.918 327 R CA 1.069 57.183 56.100 0.023 0.000 0.629 327 R CB -2.663 27.648 30.300 0.018 0.000 1.087 327 R HN 0.378 8.996 8.270 0.043 -0.322 0.462 328 N N -1.037 117.673 118.700 0.016 0.000 2.519 328 N HA 0.135 4.873 4.740 -0.003 0.000 0.291 328 N C -1.342 174.176 175.510 0.012 0.000 1.107 328 N CA -0.602 52.448 53.050 0.001 0.000 0.904 328 N CB 1.478 39.950 38.487 -0.026 0.000 1.500 328 N HN -0.210 8.187 8.380 0.027 0.000 0.510 329 L N 0.791 122.022 121.223 0.012 0.000 2.592 329 L HA 0.040 4.400 4.340 0.033 0.000 0.227 329 L C -0.852 176.036 176.870 0.030 0.000 1.127 329 L CA 0.033 54.887 54.840 0.023 0.000 0.884 329 L CB -0.362 41.706 42.059 0.017 0.000 1.065 329 L HN 0.216 8.450 8.230 0.007 0.000 0.457 330 N N -2.897 115.812 118.700 0.015 0.000 2.672 330 N HA 0.456 5.374 4.740 0.060 -0.142 0.295 330 N C -2.728 172.771 175.510 -0.018 0.000 1.924 330 N CA -1.618 51.447 53.050 0.027 0.000 0.851 330 N CB 1.995 40.495 38.487 0.022 0.000 1.281 330 N HN -0.283 8.364 8.380 -0.001 -0.267 0.494 331 P HA 0.217 4.482 4.420 -0.259 0.000 0.271 331 P C -1.550 175.550 177.300 -0.332 0.000 1.218 331 P CA -0.408 62.520 63.100 -0.286 0.000 0.780 331 P CB 0.981 32.386 31.700 -0.492 0.000 0.901 332 I N -0.376 119.967 120.570 -0.378 0.000 2.355 332 I HA -0.043 4.045 4.170 -0.137 0.000 0.288 332 I C -0.841 175.074 176.117 -0.337 0.000 0.999 332 I CA -0.194 60.963 61.300 -0.237 0.000 1.163 332 I CB 1.365 39.306 38.000 -0.099 0.000 1.316 332 I HN -0.045 7.949 8.210 -0.361 0.000 0.454 333 F N 5.917 125.879 119.950 0.020 0.000 2.387 333 F HA -0.007 4.537 4.527 0.028 0.000 0.278 333 F C 0.174 175.966 175.800 -0.012 0.000 1.010 333 F CA 0.632 58.645 58.000 0.020 0.000 1.236 333 F CB 1.307 40.335 39.000 0.046 0.000 1.137 333 F HN 0.181 8.552 8.300 0.119 0.000 0.604 334 N N -1.284 117.522 118.700 0.177 0.000 2.725 334 N HA -0.330 4.618 4.740 0.032 -0.189 0.251 334 N C -1.304 174.200 175.510 -0.010 0.000 1.031 334 N CA 1.210 54.290 53.050 0.050 0.000 0.720 334 N CB -1.248 37.248 38.487 0.016 0.000 0.930 334 N HN -0.177 8.221 8.380 0.213 0.109 0.543 335 E N -1.609 118.566 120.200 -0.042 0.000 2.191 335 E HA 0.323 4.524 4.350 -0.248 0.000 0.278 335 E C -1.820 174.458 176.600 -0.538 0.000 0.972 335 E CA -0.787 55.447 56.400 -0.276 0.000 0.804 335 E CB 3.308 32.854 29.700 -0.256 0.000 1.110 335 E HN -0.649 7.729 8.360 0.030 0.000 0.394 336 S N 2.030 117.333 115.700 -0.660 0.000 2.473 336 S HA 0.432 4.821 4.470 -0.371 -0.141 0.307 336 S C -0.945 173.225 174.600 -0.716 0.000 1.094 336 S CA -1.228 56.666 58.200 -0.510 0.000 1.070 336 S CB 1.359 64.418 63.200 -0.235 0.000 1.019 336 S HN 0.249 8.201 8.310 -0.597 0.000 0.480 337 F N 6.667 126.607 119.950 -0.016 0.000 2.518 337 F HA 0.234 4.663 4.527 -0.164 0.000 0.323 337 F C -1.850 173.855 175.800 -0.158 0.000 1.129 337 F CA -1.177 56.751 58.000 -0.120 0.000 0.920 337 F CB 3.800 42.750 39.000 -0.083 0.000 1.160 337 F HN 0.418 8.697 8.300 -0.035 0.000 0.440 338 A N 2.761 125.512 122.820 -0.115 0.000 2.312 338 A HA 0.823 5.501 4.320 0.061 -0.321 0.326 338 A C -1.673 175.723 177.584 -0.314 0.000 1.172 338 A CA -1.744 50.241 52.037 -0.087 0.000 0.821 338 A CB 2.446 21.421 19.000 -0.042 0.000 1.166 338 A HN 0.379 8.450 8.150 -0.132 0.000 0.493 339 F N 0.283 120.301 119.950 0.114 0.000 2.565 339 F HA 0.246 4.828 4.527 0.092 0.000 0.313 339 F C -1.190 174.672 175.800 0.104 0.000 1.091 339 F CA -0.870 57.193 58.000 0.105 0.000 0.915 339 F CB 4.131 43.200 39.000 0.114 0.000 1.208 339 F HN 0.435 8.929 8.300 0.325 0.000 0.453 340 D N 2.958 123.513 120.400 0.258 0.000 2.343 340 D HA 0.243 5.141 4.640 0.172 -0.155 0.255 340 D C -0.603 175.822 176.300 0.208 0.000 1.187 340 D CA 0.922 55.035 54.000 0.187 0.000 0.875 340 D CB 0.399 41.269 40.800 0.116 0.000 1.136 340 D HN 0.407 8.916 8.370 0.231 0.000 0.469 341 I N 4.518 125.226 120.570 0.231 0.000 2.540 341 I HA 0.419 4.678 4.170 0.149 0.000 0.280 341 I C -2.858 173.403 176.117 0.240 0.000 1.083 341 I CA -3.307 58.120 61.300 0.212 0.000 1.080 341 I CB 2.789 40.908 38.000 0.198 0.000 1.205 341 I HN 0.056 8.309 8.210 0.258 0.112 0.459 342 P HA -0.007 4.687 4.420 0.147 -0.186 0.266 342 P C 0.757 178.170 177.300 0.189 0.000 1.195 342 P CA -0.269 62.915 63.100 0.140 0.000 0.768 342 P CB 0.576 32.313 31.700 0.060 0.000 0.838 343 T N 5.206 119.897 114.554 0.229 0.000 2.803 343 T HA -0.408 4.124 4.350 0.304 0.000 0.269 343 T C 1.972 176.771 174.700 0.165 0.000 1.052 343 T CA 4.541 66.787 62.100 0.243 0.000 1.136 343 T CB -0.018 68.982 68.868 0.219 0.000 0.864 343 T HN 0.021 8.608 8.240 0.207 -0.223 0.467 344 E N -1.350 118.926 120.200 0.127 0.000 2.409 344 E HA -0.180 4.235 4.350 0.107 0.000 0.198 344 E C 0.528 177.211 176.600 0.139 0.000 1.024 344 E CA 1.896 58.362 56.400 0.109 0.000 0.861 344 E CB -1.293 28.452 29.700 0.076 0.000 0.788 344 E HN 0.541 8.950 8.360 0.115 0.020 0.521 345 K N -2.862 117.630 120.400 0.153 0.000 2.358 345 K HA 0.203 4.836 4.320 0.328 -0.116 0.200 345 K C 0.581 177.353 176.600 0.287 0.000 1.030 345 K CA -0.769 55.661 56.287 0.239 0.000 1.097 345 K CB 0.564 33.120 32.500 0.092 0.000 0.862 345 K HN -0.364 7.799 8.250 0.136 0.168 0.534 346 L N 0.006 121.375 121.223 0.243 0.000 2.012 346 L HA -0.373 4.132 4.340 0.275 0.000 0.210 346 L C 1.634 178.831 176.870 0.545 0.000 1.073 346 L CA 3.825 58.864 54.840 0.332 0.000 0.748 346 L CB -0.267 41.978 42.059 0.311 0.000 0.891 346 L HN -0.642 7.711 8.230 0.205 0.000 0.431 347 R N -3.477 117.274 120.500 0.419 0.000 2.237 347 R HA -0.174 4.468 4.340 0.503 0.000 0.219 347 R C 0.597 177.028 176.300 0.218 0.000 1.080 347 R CA 1.574 57.863 56.100 0.315 0.000 0.995 347 R CB -0.876 29.444 30.300 0.033 0.000 0.875 347 R HN 0.108 8.559 8.270 0.301 0.000 0.462 348 E N -3.813 116.495 120.200 0.179 0.000 2.548 348 E HA 0.261 4.590 4.350 -0.035 0.000 0.206 348 E C -1.327 175.283 176.600 0.017 0.000 1.005 348 E CA -1.329 55.070 56.400 -0.001 0.000 0.951 348 E CB 0.840 30.397 29.700 -0.239 0.000 1.035 348 E HN -0.499 7.968 8.360 0.247 0.040 0.470 349 T N 3.606 118.244 114.554 0.139 0.000 2.856 349 T HA 0.251 4.855 4.350 0.099 -0.195 0.292 349 T C -0.934 173.675 174.700 -0.153 0.000 0.980 349 T CA 1.176 63.323 62.100 0.078 0.000 1.091 349 T CB 1.054 70.041 68.868 0.198 0.000 0.936 349 T HN -0.544 7.669 8.240 0.226 0.163 0.503 350 T N 7.388 121.841 114.554 -0.169 0.000 2.861 350 T HA 0.541 4.769 4.350 -0.498 -0.177 0.287 350 T C -1.500 173.056 174.700 -0.239 0.000 1.003 350 T CA -0.932 60.995 62.100 -0.288 0.000 0.977 350 T CB 2.954 71.737 68.868 -0.142 0.000 0.996 350 T HN -0.251 7.936 8.240 -0.088 0.000 0.448 351 I N 5.776 126.152 120.570 -0.324 0.000 2.362 351 I HA 0.604 5.009 4.170 -0.217 -0.365 0.289 351 I C -1.445 174.527 176.117 -0.242 0.000 0.994 351 I CA -1.146 60.006 61.300 -0.247 0.000 1.158 351 I CB 1.964 39.832 38.000 -0.220 0.000 1.315 351 I HN 0.543 8.479 8.210 -0.456 0.000 0.451 352 I N 7.597 128.039 120.570 -0.213 0.000 2.339 352 I HA 0.476 4.520 4.170 -0.473 -0.158 0.290 352 I C -1.112 174.718 176.117 -0.479 0.000 0.994 352 I CA -1.011 60.065 61.300 -0.372 0.000 1.191 352 I CB 1.707 39.549 38.000 -0.263 0.000 1.343 352 I HN 0.492 8.620 8.210 -0.136 0.000 0.458 353 I N 8.634 128.901 120.570 -0.505 0.000 2.362 353 I HA 0.652 4.733 4.170 -0.475 -0.196 0.289 353 I C -0.971 174.846 176.117 -0.499 0.000 0.994 353 I CA -1.222 59.809 61.300 -0.449 0.000 1.158 353 I CB 2.273 40.103 38.000 -0.284 0.000 1.315 353 I HN 0.643 8.543 8.210 -0.516 0.000 0.451 354 T N 9.530 123.748 114.554 -0.561 0.000 2.809 354 T HA 0.505 4.752 4.350 -0.428 -0.154 0.284 354 T C -0.907 173.548 174.700 -0.409 0.000 0.992 354 T CA -0.848 60.950 62.100 -0.504 0.000 0.957 354 T CB 1.704 70.183 68.868 -0.648 0.000 0.942 354 T HN 0.485 8.363 8.240 -0.604 0.000 0.439 355 V N 8.815 128.546 119.914 -0.304 0.000 2.432 355 V HA 0.246 4.327 4.120 -0.325 -0.156 0.275 355 V C -1.098 174.805 176.094 -0.318 0.000 1.043 355 V CA -0.323 61.812 62.300 -0.275 0.000 0.925 355 V CB 0.695 32.438 31.823 -0.133 0.000 0.985 355 V HN 0.647 8.682 8.190 -0.258 0.000 0.466 356 M N 6.924 126.219 119.600 -0.509 0.000 2.664 356 M HA 0.664 5.070 4.480 -0.350 -0.136 0.314 356 M C -1.934 174.140 176.300 -0.377 0.000 1.200 356 M CA -3.152 51.814 55.300 -0.556 0.000 0.916 356 M CB 3.114 35.047 32.600 -1.112 0.000 1.717 356 M HN 0.679 8.588 8.290 -0.635 0.000 0.470 357 D N 1.072 121.378 120.400 -0.157 0.000 2.414 357 D HA 0.342 5.153 4.640 0.026 -0.155 0.232 357 D C -1.296 175.074 176.300 0.115 0.000 1.070 357 D CA -1.647 52.354 54.000 0.001 0.000 0.839 357 D CB 1.914 42.719 40.800 0.009 0.000 1.079 357 D HN 0.561 8.854 8.370 -0.129 0.000 0.521 358 K N 6.223 126.773 120.400 0.250 0.000 2.412 358 K HA -0.246 4.416 4.320 0.317 -0.151 0.281 358 K C -1.310 175.372 176.600 0.137 0.000 1.027 358 K CA 1.196 57.643 56.287 0.266 0.000 0.989 358 K CB 0.499 33.149 32.500 0.250 0.000 0.935 358 K HN 0.102 8.522 8.250 0.283 0.000 0.475 359 D N 5.661 126.125 120.400 0.108 0.000 2.619 359 D HA 0.311 4.989 4.640 0.064 0.000 0.241 359 D C -0.677 175.656 176.300 0.055 0.000 1.087 359 D CA -0.941 53.101 54.000 0.070 0.000 0.851 359 D CB 2.386 43.221 40.800 0.058 0.000 1.474 359 D HN -0.012 8.764 8.370 0.117 -0.336 0.478 360 K N 3.049 123.474 120.400 0.042 0.000 2.137 360 K HA 0.005 4.344 4.320 0.031 0.000 0.202 360 K C 0.827 177.444 176.600 0.028 0.000 1.052 360 K CA 1.728 58.035 56.287 0.032 0.000 0.961 360 K CB 0.482 32.998 32.500 0.027 0.000 0.741 360 K HN 0.342 8.617 8.250 0.041 0.000 0.452 361 L N -1.449 119.790 121.223 0.028 0.000 2.857 361 L HA 0.049 4.402 4.340 0.021 0.000 0.249 361 L C -1.026 175.859 176.870 0.025 0.000 1.172 361 L CA -0.540 54.314 54.840 0.024 0.000 0.980 361 L CB 0.269 42.340 42.059 0.020 0.000 1.299 361 L HN -0.379 7.869 8.230 0.030 0.000 0.535 362 S N -2.575 113.143 115.700 0.030 0.000 2.643 362 S HA 0.117 4.604 4.470 0.028 0.000 0.270 362 S C -1.760 172.864 174.600 0.040 0.000 1.166 362 S CA -0.930 57.289 58.200 0.031 0.000 0.815 362 S CB 1.942 65.159 63.200 0.029 0.000 1.139 362 S HN -0.651 7.680 8.310 0.034 0.000 0.472 363 R N 1.101 121.625 120.500 0.040 0.000 2.522 363 R HA -0.109 4.264 4.340 0.055 0.000 0.284 363 R C -0.476 175.860 176.300 0.061 0.000 1.032 363 R CA 0.481 56.611 56.100 0.051 0.000 1.049 363 R CB 0.584 30.911 30.300 0.046 0.000 0.956 363 R HN 0.195 8.486 8.270 0.036 0.000 0.422 364 N N 2.745 121.496 118.700 0.086 0.000 2.353 364 N HA -0.195 4.681 4.740 0.099 -0.077 0.248 364 N C -0.486 175.059 175.510 0.059 0.000 1.240 364 N CA 0.446 53.557 53.050 0.102 0.000 0.862 364 N CB 0.469 39.070 38.487 0.190 0.000 1.086 364 N HN 0.063 8.501 8.380 0.096 0.000 0.453 365 D N 1.683 122.104 120.400 0.034 0.000 2.225 365 D HA 0.219 4.866 4.640 0.012 0.000 0.249 365 D C -0.501 175.777 176.300 -0.035 0.000 1.052 365 D CA -0.667 53.337 54.000 0.006 0.000 0.909 365 D CB 2.210 43.014 40.800 0.007 0.000 1.186 365 D HN -0.079 8.315 8.370 0.041 0.000 0.431 366 V N 2.852 122.743 119.914 -0.038 0.000 2.432 366 V HA -0.069 3.981 4.120 -0.117 0.000 0.271 366 V C 0.387 176.442 176.094 -0.066 0.000 1.046 366 V CA 0.356 62.611 62.300 -0.075 0.000 0.945 366 V CB 0.280 32.069 31.823 -0.057 0.000 0.992 366 V HN 0.368 8.546 8.190 -0.020 0.000 0.471 367 I N 5.869 126.386 120.570 -0.089 0.000 2.235 367 I HA 0.038 4.185 4.170 -0.038 0.000 0.241 367 I C 0.048 176.133 176.117 -0.053 0.000 1.085 367 I CA 1.986 63.251 61.300 -0.058 0.000 1.378 367 I CB 1.020 38.989 38.000 -0.053 0.000 1.076 367 I HN 0.287 8.422 8.210 -0.125 0.000 0.415 368 G N -6.282 102.467 108.800 -0.085 0.000 2.356 368 G HA2 0.244 4.244 3.960 -0.062 0.000 0.294 368 G HA3 0.244 4.177 3.960 -0.045 0.000 0.294 368 G C -3.355 171.465 174.900 -0.133 0.000 1.423 368 G CA 0.418 45.474 45.100 -0.075 0.000 0.806 368 G HN -0.771 7.449 8.290 -0.118 0.000 0.527 369 K N -1.630 118.692 120.400 -0.129 0.000 2.443 369 K HA 1.083 5.414 4.320 -0.311 -0.197 0.251 369 K C -1.294 175.185 176.600 -0.202 0.000 0.972 369 K CA -1.688 54.448 56.287 -0.251 0.000 0.833 369 K CB 5.201 37.494 32.500 -0.345 0.000 1.317 369 K HN 0.165 8.341 8.250 -0.074 0.030 0.441 370 I N -0.244 120.128 120.570 -0.331 0.000 2.569 370 I HA 0.282 4.389 4.170 -0.106 0.000 0.290 370 I C -2.273 173.606 176.117 -0.395 0.000 1.088 370 I CA -0.336 60.818 61.300 -0.243 0.000 1.047 370 I CB 4.300 42.168 38.000 -0.219 0.000 1.237 370 I HN 0.394 8.342 8.210 -0.437 0.000 0.421 371 Y N 4.744 124.928 120.300 -0.195 0.000 2.334 371 Y HA 0.323 4.870 4.550 -0.218 -0.127 0.336 371 Y C -0.771 174.959 175.900 -0.282 0.000 0.960 371 Y CA -1.627 56.344 58.100 -0.215 0.000 1.164 371 Y CB 1.531 39.892 38.460 -0.166 0.000 1.155 371 Y HN 0.630 8.975 8.280 0.109 0.000 0.478 372 L N 5.746 126.821 121.223 -0.246 0.000 2.280 372 L HA 0.342 4.484 4.340 -0.329 0.000 0.287 372 L C -1.157 175.182 176.870 -0.885 0.000 1.023 372 L CA -0.378 54.212 54.840 -0.416 0.000 0.819 372 L CB 0.408 42.290 42.059 -0.295 0.000 1.212 372 L HN 0.538 8.611 8.230 -0.261 0.000 0.420 373 S N 1.962 117.061 115.700 -1.001 0.000 2.669 373 S HA 0.214 3.171 4.470 -2.523 0.000 0.266 373 S C -0.705 173.399 174.600 -0.827 0.000 1.149 373 S CA -1.147 56.223 58.200 -1.383 0.000 0.842 373 S CB 1.531 64.338 63.200 -0.654 0.000 1.160 373 S HN -0.100 7.808 8.310 -0.669 0.000 0.487 374 W N -1.395 119.648 121.300 -0.429 0.000 2.937 374 W HA -0.025 4.664 4.660 0.047 0.000 0.245 374 W C -0.468 176.007 176.519 -0.073 0.000 1.306 374 W CA 1.561 58.870 57.345 -0.061 0.000 1.470 374 W CB 0.354 29.849 29.460 0.058 0.000 1.132 374 W HN 0.602 8.707 8.180 -0.125 0.000 0.675 375 K N -1.915 118.520 120.400 0.059 0.000 3.122 375 K HA 0.246 4.593 4.320 0.044 0.000 0.193 375 K C -1.112 175.452 176.600 -0.059 0.000 1.141 375 K CA -0.821 55.473 56.287 0.011 0.000 0.975 375 K CB 0.474 32.969 32.500 -0.009 0.000 1.173 375 K HN -0.594 7.575 8.250 -0.038 0.058 0.546 376 S N 0.034 115.704 115.700 -0.051 0.000 3.255 376 S HA 0.059 4.472 4.470 -0.095 0.000 0.305 376 S C -0.432 174.158 174.600 -0.016 0.000 1.067 376 S CA -1.790 56.372 58.200 -0.064 0.000 0.966 376 S CB 1.927 65.080 63.200 -0.079 0.000 1.366 376 S HN -0.344 7.953 8.310 -0.022 0.000 0.717 377 G N 0.715 109.517 108.800 0.004 0.000 2.616 377 G HA2 0.395 4.369 3.960 0.023 0.000 0.268 377 G HA3 0.395 4.562 3.960 0.044 -0.181 0.268 377 G C -1.353 173.586 174.900 0.065 0.000 1.213 377 G CA -1.741 43.379 45.100 0.034 0.000 0.926 377 G HN -0.446 8.029 8.290 0.004 -0.184 0.523 378 P HA -0.154 4.317 4.420 0.086 0.000 0.216 378 P C 1.745 179.118 177.300 0.120 0.000 1.153 378 P CA 2.389 65.541 63.100 0.087 0.000 0.848 378 P CB 0.155 31.897 31.700 0.070 0.000 0.787 379 G N -3.643 105.244 108.800 0.145 0.000 2.422 379 G HA2 -0.247 3.809 3.960 0.160 0.000 0.218 379 G HA3 -0.247 3.846 3.960 0.220 0.000 0.218 379 G C 1.211 176.310 174.900 0.331 0.000 1.146 379 G CA 1.916 47.140 45.100 0.206 0.000 0.769 379 G HN 0.316 8.687 8.290 0.135 0.000 0.547 380 E N 1.242 121.595 120.200 0.256 0.000 2.077 380 E HA -0.348 4.112 4.350 0.184 0.000 0.193 380 E C 2.256 178.947 176.600 0.153 0.000 0.989 380 E CA 3.369 59.859 56.400 0.150 0.000 0.800 380 E CB -0.648 29.040 29.700 -0.020 0.000 0.746 380 E HN -0.172 8.304 8.360 0.194 0.000 0.452 381 V N 0.256 120.243 119.914 0.121 0.000 2.427 381 V HA -0.426 3.905 4.120 0.087 -0.159 0.248 381 V C 2.036 178.237 176.094 0.179 0.000 1.051 381 V CA 3.948 66.324 62.300 0.127 0.000 1.048 381 V CB -0.089 31.812 31.823 0.130 0.000 0.666 381 V HN 0.083 8.339 8.190 0.110 0.000 0.456 382 K N -0.239 120.272 120.400 0.184 0.000 2.057 382 K HA -0.413 3.999 4.320 0.154 0.000 0.207 382 K C 1.547 178.278 176.600 0.219 0.000 1.049 382 K CA 3.296 59.687 56.287 0.173 0.000 0.931 382 K CB -0.379 32.204 32.500 0.138 0.000 0.714 382 K HN -0.339 8.018 8.250 0.177 0.000 0.440 383 H N 1.385 120.548 119.070 0.156 0.000 2.326 383 H HA -0.272 4.350 4.556 0.111 0.000 0.301 383 H C 1.859 177.252 175.328 0.108 0.000 1.081 383 H CA 2.507 58.647 56.048 0.154 0.000 1.334 383 H CB 0.623 30.554 29.762 0.282 0.000 1.385 383 H HN -0.514 8.005 8.280 0.398 0.000 0.504 384 W N -0.554 120.709 121.300 -0.062 0.000 2.335 384 W HA -0.361 4.093 4.660 -0.344 0.000 0.311 384 W C 1.331 177.667 176.519 -0.305 0.000 1.213 384 W CA 3.936 61.096 57.345 -0.308 0.000 1.274 384 W CB 0.295 29.479 29.460 -0.461 0.000 1.148 384 W HN -0.091 8.291 8.180 0.337 0.000 0.498 385 K N -3.017 117.344 120.400 -0.064 0.000 2.148 385 K HA -0.416 3.834 4.320 -0.116 0.000 0.204 385 K C 2.119 178.706 176.600 -0.023 0.000 1.050 385 K CA 3.622 59.886 56.287 -0.039 0.000 0.942 385 K CB -0.347 32.240 32.500 0.145 0.000 0.724 385 K HN -0.342 7.952 8.250 0.073 0.000 0.446 386 D N -0.128 120.287 120.400 0.025 0.000 2.144 386 D HA -0.188 4.476 4.640 0.040 0.000 0.200 386 D C 1.741 178.036 176.300 -0.008 0.000 0.978 386 D CA 2.781 56.805 54.000 0.040 0.000 0.833 386 D CB 0.103 40.957 40.800 0.090 0.000 0.961 386 D HN -0.404 8.007 8.370 0.067 0.000 0.470 387 M N 0.394 119.948 119.600 -0.076 0.000 2.080 387 M HA -0.402 4.039 4.480 -0.066 0.000 0.260 387 M C 2.373 178.570 176.300 -0.171 0.000 1.068 387 M CA 4.099 59.307 55.300 -0.153 0.000 1.109 387 M CB 0.125 32.520 32.600 -0.342 0.000 1.342 387 M HN -0.579 7.664 8.290 -0.077 0.000 0.405 388 I N -2.366 118.039 120.570 -0.275 0.000 2.315 388 I HA -0.426 3.677 4.170 -0.111 0.000 0.248 388 I C 1.148 177.260 176.117 -0.009 0.000 1.117 388 I CA 2.705 63.914 61.300 -0.151 0.000 1.404 388 I CB -0.074 37.813 38.000 -0.188 0.000 1.071 388 I HN -0.586 7.392 8.210 -0.385 0.000 0.419 389 A N -1.990 120.830 122.820 0.000 0.000 2.119 389 A HA -0.111 4.238 4.320 0.048 0.000 0.217 389 A C 0.276 177.874 177.584 0.023 0.000 1.153 389 A CA 1.449 53.505 52.037 0.033 0.000 0.692 389 A CB 0.408 19.434 19.000 0.043 0.000 0.799 389 A HN -0.417 7.722 8.150 -0.018 0.000 0.458 390 R N -2.995 117.510 120.500 0.009 0.000 2.868 390 R HA 0.473 4.820 4.340 0.011 0.000 0.289 390 R C -2.643 173.658 176.300 0.002 0.000 1.443 390 R CA -3.807 52.298 56.100 0.008 0.000 1.651 390 R CB 0.415 30.721 30.300 0.011 0.000 1.242 390 R HN -0.658 7.457 8.270 -0.003 0.154 0.621 391 P HA -0.024 4.675 4.420 -0.010 -0.285 0.265 391 P C 0.352 177.633 177.300 -0.031 0.000 1.193 391 P CA 0.776 63.867 63.100 -0.015 0.000 0.765 391 P CB 0.495 32.184 31.700 -0.018 0.000 0.823 392 R N -6.182 114.288 120.500 -0.050 0.000 3.994 392 R HA -0.525 3.780 4.340 -0.058 0.000 0.403 392 R C -1.559 174.727 176.300 -0.023 0.000 1.126 392 R CA 1.897 57.969 56.100 -0.047 0.000 1.143 392 R CB -2.170 28.100 30.300 -0.050 0.000 1.695 392 R HN 0.619 8.851 8.270 -0.064 0.000 0.555 393 Q N 1.109 120.902 119.800 -0.012 0.000 2.348 393 Q HA 0.337 4.674 4.340 -0.004 0.000 0.265 393 Q C -2.652 173.353 176.000 0.009 0.000 0.998 393 Q CA -3.004 52.798 55.803 -0.002 0.000 0.831 393 Q CB 1.269 30.008 28.738 0.002 0.000 1.251 393 Q HN -0.589 7.609 8.270 -0.011 0.066 0.456 394 P HA 0.011 4.623 4.420 0.032 -0.173 0.267 394 P C -0.875 176.449 177.300 0.040 0.000 1.205 394 P CA -0.285 62.831 63.100 0.026 0.000 0.765 394 P CB 0.337 32.047 31.700 0.017 0.000 0.828 395 V N -1.217 118.747 119.914 0.082 0.000 2.444 395 V HA 0.428 4.580 4.120 0.052 0.000 0.294 395 V C -2.023 174.179 176.094 0.180 0.000 1.022 395 V CA -2.175 60.190 62.300 0.107 0.000 0.850 395 V CB 2.441 34.348 31.823 0.139 0.000 0.992 395 V HN 0.537 8.786 8.190 0.098 0.000 0.426 396 A N 6.472 129.304 122.820 0.020 0.000 2.337 396 A HA 0.689 5.238 4.320 0.043 -0.203 0.329 396 A C -1.313 176.120 177.584 -0.251 0.000 1.146 396 A CA -1.556 50.448 52.037 -0.056 0.000 0.800 396 A CB 2.149 21.097 19.000 -0.086 0.000 1.220 396 A HN 0.307 8.447 8.150 -0.017 0.000 0.472 397 Q N 2.632 122.226 119.800 -0.344 0.000 2.352 397 Q HA 0.162 4.312 4.340 -0.316 0.000 0.270 397 Q C -2.264 173.523 176.000 -0.355 0.000 1.006 397 Q CA -1.192 54.346 55.803 -0.442 0.000 0.880 397 Q CB 4.046 32.291 28.738 -0.822 0.000 1.392 397 Q HN 0.214 8.361 8.270 -0.206 0.000 0.401 398 W N 3.849 124.985 121.300 -0.274 0.000 2.238 398 W HA 0.107 4.904 4.660 -0.080 -0.185 0.321 398 W C 0.070 176.357 176.519 -0.387 0.000 1.293 398 W CA 0.096 57.326 57.345 -0.192 0.000 1.204 398 W CB 0.996 30.389 29.460 -0.113 0.000 1.167 398 W HN 0.381 8.587 8.180 0.043 0.000 0.553 399 H N 1.649 120.893 119.070 0.291 0.000 2.637 399 H HA 0.363 5.018 4.556 0.165 0.000 0.363 399 H C -0.687 174.742 175.328 0.168 0.000 1.131 399 H CA -0.845 55.315 56.048 0.186 0.000 1.183 399 H CB 3.839 33.682 29.762 0.135 0.000 1.637 399 H HN 0.530 9.025 8.280 0.358 0.000 0.531 400 Q N 2.241 122.177 119.800 0.228 0.000 2.313 400 Q HA -0.032 4.515 4.340 0.129 -0.130 0.266 400 Q C -0.242 175.834 176.000 0.127 0.000 0.989 400 Q CA 0.283 56.172 55.803 0.143 0.000 0.890 400 Q CB 0.345 29.139 28.738 0.093 0.000 1.200 400 Q HN 0.277 8.675 8.270 0.214 0.000 0.396 401 L N 5.615 126.893 121.223 0.091 0.000 2.367 401 L HA -0.091 4.272 4.340 0.038 0.000 0.275 401 L C -0.695 176.196 176.870 0.035 0.000 1.129 401 L CA 0.465 55.333 54.840 0.047 0.000 0.839 401 L CB 0.138 42.213 42.059 0.028 0.000 1.133 401 L HN 0.290 8.574 8.230 0.091 0.000 0.453 402 K N 1.887 122.304 120.400 0.028 0.000 2.316 402 K HA 0.364 4.703 4.320 0.032 0.000 0.251 402 K C -0.772 175.844 176.600 0.026 0.000 0.934 402 K CA -2.382 53.927 56.287 0.037 0.000 0.802 402 K CB 2.920 35.457 32.500 0.061 0.000 1.171 402 K HN -0.273 8.040 8.250 0.018 -0.053 0.426 403 A N 0.000 122.833 122.820 0.022 0.000 2.254 403 A HA 0.000 4.321 4.320 0.002 0.000 0.244 403 A CA 0.000 52.046 52.037 0.016 0.000 0.836 403 A CB 0.000 19.007 19.000 0.012 0.000 0.831 403 A HN 0.000 8.163 8.150 0.022 0.000 0.486