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 2oix_1_A DATA FIRST_RESID 336 DATA SEQUENCE TSWLLDGHLR AYTDDLARRL RGEPNAHLLH FADSQVVTML SSADPDQQAR DATA SEQUENCE AQRLLAGDDI PPIVFLPINQ PNAHWSLLVV DRRNKDAVAA YHYDSMAQKD DATA SEQUENCE PQQRYLADMA AYHLGLDYQQ THEMPIAIQS XXYSAGDHVL TGIEVLAHRV DATA SEQUENCE LDGTFDYAGG RDLTDIEPDR GLIRDRLAQA 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 336 T HA 0.000 4.350 4.350 0.000 0.000 0.228 336 T C 0.000 174.603 174.700 -0.162 0.000 1.109 336 T CA 0.000 62.164 62.100 0.106 0.000 1.349 336 T CB 0.000 68.890 68.868 0.037 0.000 0.612 337 S N 0.381 115.917 115.700 -0.273 0.000 2.634 337 S HA 0.789 5.258 4.470 -0.002 0.000 0.296 337 S C -0.928 173.497 174.600 -0.291 0.000 1.104 337 S CA -0.790 57.109 58.200 -0.503 0.000 0.920 337 S CB 1.174 64.123 63.200 -0.418 0.000 1.111 337 S HN 0.646 8.956 8.310 0.000 0.000 0.493 338 W N 0.911 122.013 121.300 -0.331 0.000 2.516 338 W HA 0.754 5.413 4.660 -0.002 0.000 0.343 338 W C -1.224 175.313 176.519 0.029 0.000 1.094 338 W CA -1.359 55.974 57.345 -0.019 0.000 1.250 338 W CB 0.391 29.949 29.460 0.162 0.000 1.308 338 W HN 0.551 8.731 8.180 0.000 0.000 0.588 339 L N 3.792 125.193 121.223 0.296 0.000 2.380 339 L HA 0.284 4.622 4.340 -0.002 0.000 0.273 339 L C 0.438 177.666 176.870 0.598 0.000 1.138 339 L CA -0.666 54.287 54.840 0.189 0.000 0.832 339 L CB 0.292 42.353 42.059 0.005 0.000 1.124 339 L HN 0.489 8.719 8.230 0.000 0.000 0.454 340 L N 1.778 123.399 121.223 0.663 0.000 2.400 340 L HA 0.259 4.598 4.340 -0.002 0.000 0.264 340 L C 1.243 178.402 176.870 0.482 0.000 1.061 340 L CA -0.820 54.355 54.840 0.559 0.000 0.799 340 L CB 0.754 42.985 42.059 0.287 0.000 1.240 340 L HN 0.612 8.842 8.230 0.000 0.000 0.461 341 D N 1.461 122.142 120.400 0.468 0.000 2.133 341 D HA -0.178 4.461 4.640 -0.002 0.000 0.195 341 D C 1.771 178.152 176.300 0.134 0.000 0.997 341 D CA 1.947 56.166 54.000 0.365 0.000 0.840 341 D CB 0.016 40.994 40.800 0.297 0.000 0.947 341 D HN 0.909 9.279 8.370 0.000 0.000 0.452 342 G N 0.028 108.849 108.800 0.035 0.000 2.450 342 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.220 342 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.220 342 G C 1.263 176.083 174.900 -0.132 0.000 1.130 342 G CA 0.911 45.958 45.100 -0.088 0.000 0.760 342 G HN 0.408 8.698 8.290 0.000 0.000 0.557 343 H N -0.552 118.525 119.070 0.011 0.000 2.363 343 H HA 0.096 4.651 4.556 -0.002 0.000 0.301 343 H C 2.507 177.804 175.328 -0.052 0.000 1.074 343 H CA 0.772 56.806 56.048 -0.022 0.000 1.354 343 H CB -0.015 29.723 29.762 -0.041 0.000 1.397 343 H HN 0.235 8.515 8.280 0.000 0.000 0.516 344 L N 0.202 121.424 121.223 -0.003 0.000 2.017 344 L HA -0.152 4.186 4.340 -0.002 0.000 0.208 344 L C 2.560 179.409 176.870 -0.036 0.000 1.073 344 L CA 1.389 56.146 54.840 -0.139 0.000 0.745 344 L CB -0.352 41.487 42.059 -0.367 0.000 0.894 344 L HN 0.089 8.319 8.230 0.000 0.000 0.432 345 R N 0.036 120.532 120.500 -0.006 0.000 2.103 345 R HA -0.173 4.166 4.340 -0.002 0.000 0.242 345 R C 2.143 178.451 176.300 0.014 0.000 1.142 345 R CA 1.814 57.923 56.100 0.014 0.000 0.960 345 R CB -0.753 29.561 30.300 0.024 0.000 0.858 345 R HN 0.369 8.639 8.270 0.000 0.000 0.439 346 A N -1.049 121.781 122.820 0.018 0.000 1.898 346 A HA -0.158 4.161 4.320 -0.002 0.000 0.216 346 A C 2.188 179.776 177.584 0.007 0.000 1.181 346 A CA 1.385 53.428 52.037 0.009 0.000 0.620 346 A CB -0.895 18.114 19.000 0.015 0.000 0.819 346 A HN 0.568 8.718 8.150 0.000 0.000 0.442 347 Y N 1.524 121.773 120.300 -0.085 0.000 2.163 347 Y HA -0.230 4.319 4.550 -0.001 0.000 0.288 347 Y C 2.986 178.778 175.900 -0.181 0.000 1.136 347 Y CA 2.599 60.622 58.100 -0.127 0.000 1.147 347 Y CB -0.289 38.080 38.460 -0.153 0.000 0.987 347 Y HN 0.463 8.743 8.280 0.000 0.000 0.509 348 T N -2.948 111.613 114.554 0.012 0.000 2.904 348 T HA -0.124 4.224 4.350 -0.002 0.000 0.267 348 T C 1.490 176.151 174.700 -0.064 0.000 1.059 348 T CA 1.302 63.305 62.100 -0.162 0.000 1.137 348 T CB -0.425 68.325 68.868 -0.197 0.000 0.879 348 T HN 0.221 8.461 8.240 0.000 0.000 0.467 349 D N 1.753 122.140 120.400 -0.022 0.000 2.092 349 D HA -0.093 4.546 4.640 -0.002 0.000 0.193 349 D C 1.885 178.155 176.300 -0.051 0.000 0.994 349 D CA 1.636 55.633 54.000 -0.006 0.000 0.828 349 D CB -0.710 40.084 40.800 -0.010 0.000 0.963 349 D HN 0.543 8.913 8.370 0.000 0.000 0.450 350 D N -0.569 119.754 120.400 -0.128 0.000 2.117 350 D HA -0.136 4.503 4.640 -0.002 0.000 0.197 350 D C 2.033 178.213 176.300 -0.200 0.000 0.987 350 D CA 0.465 54.359 54.000 -0.177 0.000 0.829 350 D CB -0.145 40.502 40.800 -0.256 0.000 0.961 350 D HN 0.012 8.382 8.370 0.000 0.000 0.460 351 L N 0.818 121.867 121.223 -0.291 0.000 1.990 351 L HA -0.131 4.208 4.340 -0.002 0.000 0.213 351 L C 2.247 179.097 176.870 -0.033 0.000 1.072 351 L CA 2.419 57.119 54.840 -0.233 0.000 0.755 351 L CB -1.245 40.586 42.059 -0.379 0.000 0.889 351 L HN 0.127 8.357 8.230 0.000 0.000 0.432 352 A N -0.686 122.192 122.820 0.097 0.000 1.948 352 A HA -0.259 4.060 4.320 -0.002 0.000 0.220 352 A C 2.415 180.027 177.584 0.047 0.000 1.177 352 A CA 2.044 54.189 52.037 0.181 0.000 0.636 352 A CB -0.579 18.543 19.000 0.202 0.000 0.815 352 A HN 0.556 8.706 8.150 0.000 0.000 0.449 353 R N -0.941 119.560 120.500 0.002 0.000 2.075 353 R HA -0.038 4.301 4.340 -0.002 0.000 0.232 353 R C 2.450 178.734 176.300 -0.025 0.000 1.126 353 R CA 1.368 57.457 56.100 -0.017 0.000 0.963 353 R CB -0.265 30.015 30.300 -0.033 0.000 0.858 353 R HN 0.493 8.763 8.270 0.000 0.000 0.435 354 R N 0.512 120.988 120.500 -0.041 0.000 2.096 354 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 354 R C 1.973 178.257 176.300 -0.027 0.000 1.127 354 R CA 1.055 57.133 56.100 -0.038 0.000 0.968 354 R CB -0.195 30.075 30.300 -0.051 0.000 0.861 354 R HN 0.230 8.500 8.270 0.000 0.000 0.440 355 L N 0.396 121.602 121.223 -0.030 0.000 2.599 355 L HA 0.079 4.418 4.340 -0.002 0.000 0.230 355 L C 0.717 177.570 176.870 -0.029 0.000 1.141 355 L CA -0.027 54.783 54.840 -0.049 0.000 0.877 355 L CB -0.198 41.826 42.059 -0.057 0.000 1.009 355 L HN 0.030 8.260 8.230 0.000 0.000 0.447 356 R N 0.989 121.480 120.500 -0.014 0.000 2.504 356 R HA 0.075 4.414 4.340 -0.002 0.000 0.291 356 R C 1.209 177.506 176.300 -0.006 0.000 0.974 356 R CA 0.996 57.092 56.100 -0.008 0.000 1.077 356 R CB 0.140 30.436 30.300 -0.007 0.000 0.926 356 R HN 0.384 8.654 8.270 0.000 0.000 0.407 357 G N 2.348 111.149 108.800 0.002 0.000 2.225 357 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.254 357 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.254 357 G C 0.045 174.951 174.900 0.009 0.000 0.988 357 G CA -0.142 44.960 45.100 0.003 0.000 0.625 357 G HN 0.574 8.864 8.290 0.000 0.000 0.527 358 E N 1.850 122.051 120.200 0.002 0.000 2.398 358 E HA 0.280 4.629 4.350 -0.002 0.000 0.263 358 E C -2.098 174.513 176.600 0.018 0.000 1.046 358 E CA -1.462 54.937 56.400 -0.003 0.000 0.908 358 E CB 0.292 29.972 29.700 -0.034 0.000 0.963 358 E HN 0.188 8.548 8.360 0.000 0.000 0.431 359 P HA -0.119 4.301 4.420 0.000 0.000 0.257 359 P C -0.085 177.219 177.300 0.007 0.000 1.162 359 P CA 0.565 63.685 63.100 0.033 0.000 0.762 359 P CB 0.188 31.898 31.700 0.018 0.000 0.753 360 N N 0.971 119.688 118.700 0.028 0.000 2.965 360 N HA -0.230 4.509 4.740 -0.002 0.000 0.232 360 N C 1.088 176.454 175.510 -0.240 0.000 0.913 360 N CA 1.534 54.487 53.050 -0.161 0.000 0.981 360 N CB -1.873 36.527 38.487 -0.145 0.000 1.077 360 N HN 0.530 8.910 8.380 0.000 0.000 0.589 361 A N 1.189 123.965 122.820 -0.074 0.000 2.024 361 A HA -0.210 4.109 4.320 -0.002 0.000 0.220 361 A C 1.809 179.330 177.584 -0.105 0.000 1.164 361 A CA 1.894 53.877 52.037 -0.089 0.000 0.643 361 A CB -0.933 18.047 19.000 -0.035 0.000 0.806 361 A HN 0.721 8.871 8.150 0.000 0.000 0.451 362 H N -0.358 118.670 119.070 -0.071 0.000 2.545 362 H HA 0.063 4.618 4.556 -0.002 0.000 0.282 362 H C 1.442 176.732 175.328 -0.063 0.000 1.020 362 H CA 1.131 57.142 56.048 -0.063 0.000 1.243 362 H CB -0.646 29.090 29.762 -0.043 0.000 1.377 362 H HN 0.489 8.769 8.280 0.000 0.000 0.581 363 L N 0.664 121.591 121.223 -0.494 0.000 2.395 363 L HA 0.128 4.467 4.340 -0.002 0.000 0.218 363 L C 0.722 177.486 176.870 -0.177 0.000 1.130 363 L CA 0.208 54.859 54.840 -0.316 0.000 0.826 363 L CB -0.062 41.797 42.059 -0.332 0.000 0.941 363 L HN 0.081 8.311 8.230 0.000 0.000 0.451 364 L N -0.627 120.483 121.223 -0.188 0.000 2.307 364 L HA 0.341 4.680 4.340 -0.002 0.000 0.282 364 L C -0.541 176.185 176.870 -0.239 0.000 1.051 364 L CA -0.500 54.224 54.840 -0.193 0.000 0.804 364 L CB 1.141 42.977 42.059 -0.372 0.000 1.197 364 L HN -0.038 8.192 8.230 0.000 0.000 0.431 365 H N 2.650 121.578 119.070 -0.238 0.000 2.823 365 H HA 0.436 4.991 4.556 -0.002 0.000 0.332 365 H C -1.353 173.947 175.328 -0.046 0.000 0.980 365 H CA -0.575 55.348 56.048 -0.209 0.000 1.286 365 H CB 0.866 30.593 29.762 -0.058 0.000 1.541 365 H HN 0.239 8.519 8.280 0.000 0.000 0.521 366 F N 3.895 123.677 119.950 -0.280 0.000 2.375 366 F HA 0.465 4.991 4.527 -0.002 0.000 0.362 366 F C 0.830 176.447 175.800 -0.305 0.000 1.129 366 F CA -0.617 57.294 58.000 -0.148 0.000 1.154 366 F CB 0.170 39.090 39.000 -0.134 0.000 1.205 366 F HN 0.625 8.925 8.300 0.000 0.000 0.513 367 A N 2.458 125.345 122.820 0.113 0.000 2.407 367 A HA 0.218 4.537 4.320 -0.002 0.000 0.248 367 A C -0.068 177.599 177.584 0.140 0.000 1.082 367 A CA -0.528 51.589 52.037 0.134 0.000 0.785 367 A CB 0.040 19.202 19.000 0.271 0.000 1.020 367 A HN 0.734 8.884 8.150 0.000 0.000 0.489 368 D N 0.918 121.399 120.400 0.136 0.000 2.351 368 D HA 0.258 4.897 4.640 -0.002 0.000 0.251 368 D C 1.439 177.837 176.300 0.163 0.000 1.137 368 D CA 0.567 54.645 54.000 0.129 0.000 0.879 368 D CB 0.848 41.716 40.800 0.114 0.000 1.181 368 D HN 0.459 8.829 8.370 0.000 0.000 0.448 369 S N 2.635 118.451 115.700 0.192 0.000 2.423 369 S HA -0.218 4.250 4.470 -0.002 0.000 0.231 369 S C 1.545 176.274 174.600 0.216 0.000 1.014 369 S CA 0.718 59.080 58.200 0.270 0.000 0.965 369 S CB -0.195 63.285 63.200 0.467 0.000 0.785 369 S HN 0.659 8.969 8.310 0.000 0.000 0.495 370 Q N 0.578 120.480 119.800 0.170 0.000 2.137 370 Q HA 0.055 4.394 4.340 -0.002 0.000 0.198 370 Q C 2.309 178.368 176.000 0.099 0.000 0.960 370 Q CA 1.219 57.096 55.803 0.124 0.000 0.847 370 Q CB -0.359 28.441 28.738 0.104 0.000 0.915 370 Q HN 0.496 8.766 8.270 0.000 0.000 0.448 371 V N 0.489 120.467 119.914 0.106 0.000 2.343 371 V HA -0.228 3.890 4.120 -0.002 0.000 0.247 371 V C 2.282 178.432 176.094 0.093 0.000 1.051 371 V CA 1.341 63.697 62.300 0.093 0.000 1.036 371 V CB -0.504 31.383 31.823 0.107 0.000 0.654 371 V HN 0.166 8.356 8.190 0.000 0.000 0.451 372 V N 0.056 120.044 119.914 0.124 0.000 2.287 372 V HA -0.318 3.801 4.120 -0.002 0.000 0.248 372 V C 2.583 178.727 176.094 0.083 0.000 1.053 372 V CA 2.752 65.124 62.300 0.120 0.000 1.027 372 V CB -1.196 30.725 31.823 0.164 0.000 0.646 372 V HN 0.613 8.803 8.190 0.000 0.000 0.447 373 T N -0.301 114.300 114.554 0.079 0.000 2.759 373 T HA -0.235 4.114 4.350 -0.002 0.000 0.269 373 T C 1.807 176.517 174.700 0.018 0.000 1.042 373 T CA 1.839 63.967 62.100 0.046 0.000 1.140 373 T CB -0.335 68.561 68.868 0.046 0.000 0.864 373 T HN 0.336 8.576 8.240 0.000 0.000 0.455 374 M N 0.408 120.020 119.600 0.020 0.000 2.460 374 M HA 0.056 4.535 4.480 -0.002 0.000 0.263 374 M C 1.864 178.130 176.300 -0.056 0.000 1.071 374 M CA 0.931 56.226 55.300 -0.009 0.000 1.096 374 M CB -0.534 32.071 32.600 0.008 0.000 1.408 374 M HN 0.214 8.504 8.290 0.000 0.000 0.463 375 L N -1.019 120.174 121.223 -0.051 0.000 2.129 375 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 375 L C 2.121 178.747 176.870 -0.407 0.000 1.087 375 L CA 0.995 55.755 54.840 -0.133 0.000 0.757 375 L CB -0.542 41.518 42.059 0.002 0.000 0.896 375 L HN 0.215 8.445 8.230 0.000 0.000 0.434 376 S N -1.475 114.087 115.700 -0.230 0.000 2.548 376 S HA 0.011 4.480 4.470 -0.002 0.000 0.215 376 S C 0.958 175.477 174.600 -0.135 0.000 0.976 376 S CA -0.104 57.967 58.200 -0.215 0.000 0.908 376 S CB 0.099 63.292 63.200 -0.012 0.000 0.781 376 S HN 0.401 8.711 8.310 0.000 0.000 0.519 377 S N 1.425 117.059 115.700 -0.110 0.000 2.550 377 S HA 0.219 4.688 4.470 -0.002 0.000 0.285 377 S C 1.298 175.869 174.600 -0.049 0.000 1.326 377 S CA 0.212 58.379 58.200 -0.056 0.000 1.037 377 S CB 0.703 63.877 63.200 -0.043 0.000 0.838 377 S HN 0.398 8.708 8.310 0.000 0.000 0.519 378 A N 2.607 125.415 122.820 -0.019 0.000 1.984 378 A HA 0.144 4.462 4.320 -0.002 0.000 0.214 378 A C 0.935 178.514 177.584 -0.007 0.000 1.173 378 A CA 0.545 52.578 52.037 -0.007 0.000 0.673 378 A CB -0.432 18.570 19.000 0.005 0.000 0.830 378 A HN 0.874 9.024 8.150 0.000 0.000 0.453 379 D N 0.387 120.781 120.400 -0.009 0.000 2.368 379 D HA 0.130 4.768 4.640 -0.002 0.000 0.268 379 D C -1.644 174.647 176.300 -0.014 0.000 1.298 379 D CA -1.711 52.284 54.000 -0.008 0.000 0.938 379 D CB 0.981 41.779 40.800 -0.005 0.000 1.101 379 D HN 0.049 8.419 8.370 0.000 0.000 0.509 380 P HA -0.130 4.290 4.420 0.000 0.000 0.215 380 P C 1.007 178.298 177.300 -0.014 0.000 1.157 380 P CA 0.739 63.832 63.100 -0.011 0.000 0.868 380 P CB 0.279 31.978 31.700 -0.002 0.000 0.788 381 D N -1.064 119.332 120.400 -0.008 0.000 2.218 381 D HA -0.163 4.476 4.640 -0.002 0.000 0.204 381 D C 1.956 178.251 176.300 -0.008 0.000 0.976 381 D CA 1.004 55.001 54.000 -0.006 0.000 0.853 381 D CB -0.204 40.595 40.800 -0.002 0.000 0.939 381 D HN 0.252 8.622 8.370 0.000 0.000 0.481 382 Q N -0.238 119.556 119.800 -0.011 0.000 2.079 382 Q HA -0.163 4.176 4.340 -0.002 0.000 0.200 382 Q C 2.155 178.141 176.000 -0.023 0.000 0.974 382 Q CA 1.000 56.796 55.803 -0.012 0.000 0.840 382 Q CB -0.085 28.646 28.738 -0.011 0.000 0.898 382 Q HN 0.417 8.687 8.270 0.000 0.000 0.430 383 Q N 0.231 120.005 119.800 -0.043 0.000 2.083 383 Q HA -0.131 4.208 4.340 -0.002 0.000 0.198 383 Q C 1.999 177.971 176.000 -0.047 0.000 0.969 383 Q CA 1.134 56.894 55.803 -0.072 0.000 0.838 383 Q CB -0.092 28.574 28.738 -0.120 0.000 0.900 383 Q HN 0.323 8.593 8.270 0.000 0.000 0.436 384 A N 1.658 124.461 122.820 -0.029 0.000 1.883 384 A HA -0.242 4.076 4.320 -0.002 0.000 0.217 384 A C 2.170 179.746 177.584 -0.012 0.000 1.186 384 A CA 1.645 53.672 52.037 -0.017 0.000 0.624 384 A CB -0.778 18.216 19.000 -0.011 0.000 0.822 384 A HN 0.479 8.629 8.150 0.000 0.000 0.444 385 R N -0.346 120.149 120.500 -0.008 0.000 2.091 385 R HA -0.154 4.185 4.340 -0.002 0.000 0.238 385 R C 2.265 178.567 176.300 0.004 0.000 1.136 385 R CA 1.682 57.782 56.100 -0.000 0.000 0.959 385 R CB -0.446 29.857 30.300 0.005 0.000 0.856 385 R HN 0.442 8.712 8.270 0.000 0.000 0.437 386 A N 0.659 123.480 122.820 0.001 0.000 1.898 386 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 386 A C 2.071 179.660 177.584 0.009 0.000 1.181 386 A CA 1.408 53.452 52.037 0.012 0.000 0.620 386 A CB -0.480 18.522 19.000 0.003 0.000 0.819 386 A HN 0.515 8.665 8.150 0.000 0.000 0.442 387 Q N -0.623 119.175 119.800 -0.005 0.000 2.135 387 Q HA -0.200 4.138 4.340 -0.002 0.000 0.204 387 Q C 2.341 178.333 176.000 -0.013 0.000 0.981 387 Q CA 1.734 57.533 55.803 -0.006 0.000 0.856 387 Q CB -0.171 28.560 28.738 -0.011 0.000 0.902 387 Q HN 0.640 8.910 8.270 0.000 0.000 0.425 388 R N 0.059 120.551 120.500 -0.013 0.000 2.075 388 R HA -0.058 4.281 4.340 -0.002 0.000 0.232 388 R C 2.208 178.490 176.300 -0.030 0.000 1.126 388 R CA 0.941 57.029 56.100 -0.020 0.000 0.963 388 R CB -0.222 30.071 30.300 -0.012 0.000 0.858 388 R HN 0.228 8.498 8.270 0.000 0.000 0.435 389 L N 0.416 121.630 121.223 -0.015 0.000 2.291 389 L HA -0.075 4.264 4.340 -0.002 0.000 0.214 389 L C 1.848 178.681 176.870 -0.062 0.000 1.120 389 L CA 0.920 55.751 54.840 -0.014 0.000 0.799 389 L CB 0.013 42.095 42.059 0.040 0.000 0.925 389 L HN 0.200 8.430 8.230 0.000 0.000 0.446 390 L N -1.810 119.388 121.223 -0.041 0.000 2.749 390 L HA 0.284 4.623 4.340 -0.002 0.000 0.242 390 L C 1.315 178.145 176.870 -0.067 0.000 1.103 390 L CA 0.217 55.028 54.840 -0.048 0.000 0.906 390 L CB 0.292 42.378 42.059 0.045 0.000 1.228 390 L HN 0.056 8.286 8.230 0.000 0.000 0.517 391 A N 0.134 122.921 122.820 -0.055 0.000 2.568 391 A HA 0.540 4.859 4.320 -0.002 0.000 0.287 391 A C 0.719 178.274 177.584 -0.049 0.000 0.967 391 A CA 0.016 52.025 52.037 -0.047 0.000 1.004 391 A CB -0.173 18.811 19.000 -0.026 0.000 1.233 391 A HN 0.180 8.330 8.150 0.000 0.000 0.513 392 G N -0.810 107.953 108.800 -0.061 0.000 2.651 392 G HA2 0.345 4.303 3.960 -0.002 0.000 0.260 392 G HA3 0.345 4.303 3.960 -0.002 0.000 0.260 392 G C -0.011 174.861 174.900 -0.047 0.000 1.216 392 G CA -0.159 44.912 45.100 -0.049 0.000 0.913 392 G HN 0.104 8.394 8.290 0.000 0.000 0.535 393 D N -0.481 119.898 120.400 -0.035 0.000 2.390 393 D HA 0.008 4.647 4.640 -0.002 0.000 0.235 393 D C 1.057 177.339 176.300 -0.030 0.000 1.040 393 D CA 0.961 54.943 54.000 -0.029 0.000 0.923 393 D CB 0.369 41.156 40.800 -0.021 0.000 0.886 393 D HN 0.537 8.907 8.370 0.000 0.000 0.532 394 D N -1.165 119.210 120.400 -0.041 0.000 2.530 394 D HA -0.027 4.612 4.640 -0.002 0.000 0.253 394 D C 0.161 176.425 176.300 -0.060 0.000 1.338 394 D CA -0.293 53.684 54.000 -0.038 0.000 0.806 394 D CB 0.158 40.941 40.800 -0.028 0.000 1.160 394 D HN -0.068 8.302 8.370 0.000 0.000 0.514 395 I N 2.400 122.911 120.570 -0.098 0.000 2.441 395 I HA 0.302 4.471 4.170 -0.002 0.000 0.287 395 I C -1.945 174.101 176.117 -0.119 0.000 1.049 395 I CA -2.212 58.982 61.300 -0.178 0.000 1.381 395 I CB 0.105 37.940 38.000 -0.275 0.000 1.409 395 I HN -0.255 7.955 8.210 0.000 0.000 0.523 396 P HA 0.071 4.491 4.420 0.000 0.000 0.267 396 P C -1.910 175.364 177.300 -0.044 0.000 1.201 396 P CA -0.690 62.385 63.100 -0.042 0.000 0.775 396 P CB -0.039 31.650 31.700 -0.018 0.000 0.854 397 P HA 0.096 4.516 4.420 0.000 0.000 0.245 397 P C 0.013 177.289 177.300 -0.040 0.000 1.206 397 P CA 0.919 63.998 63.100 -0.035 0.000 0.781 397 P CB 0.511 32.195 31.700 -0.026 0.000 0.994 398 I N 0.923 121.454 120.570 -0.066 0.000 2.359 398 I HA 0.231 4.400 4.170 -0.002 0.000 0.284 398 I C -0.472 175.564 176.117 -0.135 0.000 1.018 398 I CA -0.831 60.392 61.300 -0.128 0.000 1.173 398 I CB 2.021 39.900 38.000 -0.201 0.000 1.326 398 I HN -0.346 7.864 8.210 0.000 0.000 0.462 399 V N 6.844 126.658 119.914 -0.167 0.000 2.448 399 V HA 0.396 4.515 4.120 -0.002 0.000 0.295 399 V C -0.451 175.542 176.094 -0.168 0.000 1.025 399 V CA -0.589 61.706 62.300 -0.009 0.000 0.859 399 V CB 1.603 33.480 31.823 0.091 0.000 0.988 399 V HN 0.351 8.541 8.190 0.000 0.000 0.431 400 F N 5.496 125.584 119.950 0.230 0.000 2.371 400 F HA 0.584 5.110 4.527 -0.002 0.000 0.363 400 F C -0.029 175.912 175.800 0.236 0.000 1.122 400 F CA -0.469 57.690 58.000 0.264 0.000 1.129 400 F CB 0.914 40.117 39.000 0.337 0.000 1.173 400 F HN 0.224 8.524 8.300 0.000 0.000 0.489 401 L N 6.355 127.774 121.223 0.327 0.000 2.318 401 L HA 0.449 4.787 4.340 -0.002 0.000 0.277 401 L C -2.549 174.496 176.870 0.292 0.000 1.008 401 L CA -1.961 53.046 54.840 0.278 0.000 0.846 401 L CB 1.121 43.312 42.059 0.220 0.000 1.220 401 L HN 0.308 8.538 8.230 0.000 0.000 0.423 402 P HA 0.163 4.583 4.420 0.000 0.000 0.276 402 P C -0.750 176.799 177.300 0.414 0.000 1.235 402 P CA -0.134 63.162 63.100 0.327 0.000 0.772 402 P CB 0.669 32.493 31.700 0.207 0.000 0.871 403 I N 3.220 124.043 120.570 0.423 0.000 2.328 403 I HA 0.234 4.402 4.170 -0.002 0.000 0.287 403 I C 0.405 176.642 176.117 0.199 0.000 1.012 403 I CA -0.604 60.867 61.300 0.285 0.000 1.195 403 I CB 0.345 38.487 38.000 0.237 0.000 1.350 403 I HN 0.286 8.496 8.210 0.000 0.000 0.464 404 N N 5.888 124.571 118.700 -0.028 0.000 2.414 404 N HA 0.105 4.844 4.740 -0.002 0.000 0.256 404 N C -0.391 174.933 175.510 -0.309 0.000 1.029 404 N CA -0.116 52.608 53.050 -0.543 0.000 0.948 404 N CB 1.081 39.177 38.487 -0.651 0.000 1.102 404 N HN 0.506 8.886 8.380 0.000 0.000 0.496 405 Q N 4.795 124.406 119.800 -0.315 0.000 2.390 405 Q HA 0.360 4.699 4.340 -0.002 0.000 0.249 405 Q C -2.291 173.567 176.000 -0.237 0.000 0.996 405 Q CA -1.950 53.754 55.803 -0.166 0.000 0.899 405 Q CB 0.761 29.477 28.738 -0.036 0.000 1.216 405 Q HN 0.391 8.661 8.270 0.000 0.000 0.465 406 P HA -0.058 4.362 4.420 0.000 0.000 0.261 406 P C -0.906 176.305 177.300 -0.148 0.000 1.183 406 P CA 0.582 63.586 63.100 -0.159 0.000 0.761 406 P CB 0.298 31.951 31.700 -0.077 0.000 0.785 407 N N 1.308 119.912 118.700 -0.160 0.000 2.693 407 N HA -0.263 4.476 4.740 -0.002 0.000 0.249 407 N C 0.538 175.845 175.510 -0.337 0.000 1.119 407 N CA 1.453 54.353 53.050 -0.250 0.000 0.717 407 N CB -1.576 36.823 38.487 -0.146 0.000 1.071 407 N HN 0.515 8.895 8.380 0.000 0.000 0.555 408 A N -1.954 120.708 122.820 -0.264 0.000 1.852 408 A HA 0.406 4.725 4.320 -0.002 0.000 0.205 408 A C 0.306 177.858 177.584 -0.053 0.000 1.757 408 A CA 0.810 52.744 52.037 -0.172 0.000 1.088 408 A CB 0.666 19.602 19.000 -0.107 0.000 1.079 408 A HN 0.440 8.590 8.150 0.000 0.000 0.524 409 H N -2.959 115.971 119.070 -0.233 0.000 3.024 409 H HA 0.481 5.036 4.556 -0.002 0.000 0.324 409 H C -2.431 172.777 175.328 -0.200 0.000 1.347 409 H CA -1.263 54.715 56.048 -0.117 0.000 1.182 409 H CB 0.534 30.270 29.762 -0.043 0.000 1.889 409 H HN 0.331 8.611 8.280 0.000 0.000 0.528 410 W N 2.607 123.631 121.300 -0.460 0.000 2.761 410 W HA 0.628 5.287 4.660 -0.002 0.000 0.340 410 W C -0.340 175.885 176.519 -0.490 0.000 1.072 410 W CA -0.378 56.779 57.345 -0.313 0.000 1.215 410 W CB 2.221 31.622 29.460 -0.098 0.000 1.420 410 W HN 0.764 8.944 8.180 0.000 0.000 0.519 411 S N 1.235 117.023 115.700 0.146 0.000 2.794 411 S HA 0.832 5.301 4.470 -0.002 0.000 0.299 411 S C -1.959 172.815 174.600 0.290 0.000 1.179 411 S CA -0.901 57.392 58.200 0.154 0.000 0.838 411 S CB 1.771 65.082 63.200 0.185 0.000 1.206 411 S HN 0.485 8.795 8.310 0.000 0.000 0.523 412 L N 1.101 122.501 121.223 0.295 0.000 2.381 412 L HA 0.788 5.127 4.340 -0.002 0.000 0.274 412 L C -1.656 175.511 176.870 0.496 0.000 0.988 412 L CA -0.777 54.287 54.840 0.373 0.000 0.824 412 L CB 1.502 43.766 42.059 0.340 0.000 1.263 412 L HN 0.841 9.071 8.230 0.000 0.000 0.410 413 L N 6.039 127.526 121.223 0.440 0.000 2.307 413 L HA 0.747 5.086 4.340 -0.002 0.000 0.284 413 L C -1.157 175.903 176.870 0.317 0.000 1.023 413 L CA -0.255 54.820 54.840 0.392 0.000 0.810 413 L CB 1.840 44.058 42.059 0.265 0.000 1.231 413 L HN 0.427 8.657 8.230 0.000 0.000 0.423 414 V N 5.726 125.838 119.914 0.330 0.000 2.495 414 V HA 0.570 4.688 4.120 -0.002 0.000 0.298 414 V C -0.519 175.690 176.094 0.192 0.000 1.031 414 V CA -0.682 61.730 62.300 0.188 0.000 0.871 414 V CB 1.864 33.849 31.823 0.270 0.000 0.988 414 V HN 0.516 8.706 8.190 0.000 0.000 0.432 415 V N 3.524 123.472 119.914 0.057 0.000 2.487 415 V HA 0.455 4.574 4.120 -0.002 0.000 0.298 415 V C -0.774 175.353 176.094 0.055 0.000 1.028 415 V CA -0.452 61.887 62.300 0.065 0.000 0.860 415 V CB 1.979 33.823 31.823 0.036 0.000 0.991 415 V HN 0.972 9.162 8.190 0.000 0.000 0.427 416 D N 4.638 125.111 120.400 0.121 0.000 2.464 416 D HA 0.301 4.940 4.640 -0.002 0.000 0.243 416 D C 0.748 177.097 176.300 0.081 0.000 1.104 416 D CA -0.652 53.429 54.000 0.134 0.000 0.883 416 D CB 0.831 41.824 40.800 0.321 0.000 1.050 416 D HN 0.595 8.965 8.370 0.000 0.000 0.524 417 R N 3.081 123.603 120.500 0.036 0.000 2.694 417 R HA 0.337 4.676 4.340 -0.002 0.000 0.334 417 R C 0.808 177.119 176.300 0.018 0.000 1.143 417 R CA -0.557 55.555 56.100 0.021 0.000 1.073 417 R CB 0.112 30.413 30.300 0.002 0.000 1.366 417 R HN 0.163 8.433 8.270 0.000 0.000 0.577 418 R N 0.600 121.118 120.500 0.030 0.000 2.120 418 R HA -0.058 4.281 4.340 -0.002 0.000 0.234 418 R C 0.345 176.659 176.300 0.024 0.000 1.123 418 R CA 1.138 57.252 56.100 0.023 0.000 0.975 418 R CB -0.103 30.216 30.300 0.031 0.000 0.866 418 R HN 0.194 8.464 8.270 0.000 0.000 0.446 419 N N 1.122 119.841 118.700 0.031 0.000 2.501 419 N HA 0.000 4.739 4.740 -0.002 0.000 0.245 419 N C 0.321 175.840 175.510 0.015 0.000 0.974 419 N CA -0.150 52.915 53.050 0.024 0.000 0.941 419 N CB 1.285 39.791 38.487 0.031 0.000 1.122 419 N HN 0.099 8.479 8.380 0.000 0.000 0.507 420 K N 2.157 122.561 120.400 0.007 0.000 2.283 420 K HA -0.050 4.269 4.320 -0.002 0.000 0.202 420 K C -0.172 176.425 176.600 -0.004 0.000 1.048 420 K CA 1.539 57.826 56.287 -0.001 0.000 0.948 420 K CB 0.170 32.667 32.500 -0.004 0.000 0.742 420 K HN 0.298 8.548 8.250 0.000 0.000 0.458 421 D N 0.604 121.004 120.400 -0.001 0.000 2.340 421 D HA 0.092 4.731 4.640 -0.002 0.000 0.220 421 D C -0.040 176.258 176.300 -0.004 0.000 1.039 421 D CA 0.648 54.645 54.000 -0.004 0.000 0.866 421 D CB 0.839 41.638 40.800 -0.002 0.000 0.913 421 D HN 0.378 8.748 8.370 0.000 0.000 0.523 422 A N 0.730 123.551 122.820 0.002 0.000 3.453 422 A HA 0.361 4.680 4.320 -0.002 0.000 0.262 422 A C -0.338 177.251 177.584 0.009 0.000 1.026 422 A CA -0.550 51.490 52.037 0.004 0.000 0.938 422 A CB 0.166 19.176 19.000 0.016 0.000 1.246 422 A HN -0.004 8.146 8.150 0.000 0.000 0.546 423 V N 1.156 121.066 119.914 -0.007 0.000 2.599 423 V HA 0.407 4.526 4.120 -0.002 0.000 0.300 423 V C 0.890 176.964 176.094 -0.033 0.000 1.034 423 V CA 0.744 63.039 62.300 -0.010 0.000 1.115 423 V CB 0.712 32.522 31.823 -0.022 0.000 0.934 423 V HN 0.883 9.073 8.190 0.000 0.000 0.485 424 A N 4.375 127.182 122.820 -0.022 0.000 2.337 424 A HA 0.948 5.266 4.320 -0.002 0.000 0.329 424 A C -0.084 177.358 177.584 -0.238 0.000 1.146 424 A CA -0.186 51.773 52.037 -0.130 0.000 0.800 424 A CB 1.557 20.538 19.000 -0.032 0.000 1.220 424 A HN 1.466 9.616 8.150 0.000 0.000 0.472 425 A N 1.106 123.644 122.820 -0.470 0.000 2.455 425 A HA 0.752 5.071 4.320 -0.002 0.000 0.300 425 A C -1.751 175.536 177.584 -0.494 0.000 1.040 425 A CA -0.379 51.461 52.037 -0.327 0.000 0.697 425 A CB 0.925 19.841 19.000 -0.141 0.000 1.265 425 A HN 0.847 8.997 8.150 0.000 0.000 0.407 426 Y N 1.248 121.603 120.300 0.092 0.000 2.373 426 Y HA 0.452 5.001 4.550 -0.002 0.000 0.336 426 Y C 0.011 175.880 175.900 -0.051 0.000 0.979 426 Y CA -0.424 57.664 58.100 -0.020 0.000 1.080 426 Y CB 1.901 40.310 38.460 -0.086 0.000 1.190 426 Y HN 0.805 9.085 8.280 0.000 0.000 0.446 427 H N 3.949 122.960 119.070 -0.099 0.000 2.481 427 H HA 0.394 4.948 4.556 -0.002 0.000 0.333 427 H C -1.762 173.476 175.328 -0.150 0.000 1.066 427 H CA -0.843 55.181 56.048 -0.041 0.000 1.209 427 H CB 0.923 30.707 29.762 0.037 0.000 1.445 427 H HN 0.755 9.035 8.280 0.000 0.000 0.488 428 Y N 3.429 123.601 120.300 -0.212 0.000 2.328 428 Y HA 0.175 4.724 4.550 -0.002 0.000 0.333 428 Y C -0.125 175.592 175.900 -0.305 0.000 0.958 428 Y CA -0.880 57.123 58.100 -0.162 0.000 1.167 428 Y CB 1.348 39.817 38.460 0.015 0.000 1.151 428 Y HN 0.589 8.869 8.280 0.000 0.000 0.470 429 D N 1.125 121.455 120.400 -0.117 0.000 2.593 429 D HA 0.189 4.828 4.640 -0.002 0.000 0.251 429 D C 0.340 176.681 176.300 0.069 0.000 1.140 429 D CA -0.451 53.541 54.000 -0.014 0.000 0.855 429 D CB 1.749 42.550 40.800 0.002 0.000 1.267 429 D HN 0.484 8.854 8.370 0.000 0.000 0.532 430 S N 2.937 118.687 115.700 0.082 0.000 2.575 430 S HA 0.099 4.568 4.470 -0.002 0.000 0.215 430 S C 1.122 175.707 174.600 -0.026 0.000 0.966 430 S CA -0.453 57.722 58.200 -0.042 0.000 0.911 430 S CB -0.183 62.850 63.200 -0.278 0.000 0.780 430 S HN 0.562 8.872 8.310 0.000 0.000 0.514 431 M N 2.146 121.791 119.600 0.075 0.000 2.217 431 M HA 0.406 4.885 4.480 -0.002 0.000 0.352 431 M C 1.319 177.591 176.300 -0.047 0.000 1.376 431 M CA -0.133 55.139 55.300 -0.046 0.000 1.107 431 M CB 0.948 33.402 32.600 -0.244 0.000 1.723 431 M HN 0.338 8.628 8.290 0.000 0.000 0.461 432 A N 4.701 127.485 122.820 -0.060 0.000 1.873 432 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 432 A C 0.808 178.372 177.584 -0.034 0.000 1.193 432 A CA 1.517 53.530 52.037 -0.040 0.000 0.629 432 A CB -0.287 18.688 19.000 -0.041 0.000 0.826 432 A HN 0.858 9.008 8.150 0.000 0.000 0.447 433 Q N 0.244 120.013 119.800 -0.052 0.000 2.466 433 Q HA 0.345 4.683 4.340 -0.002 0.000 0.242 433 Q C -1.064 174.905 176.000 -0.052 0.000 1.046 433 Q CA -0.705 55.073 55.803 -0.043 0.000 0.841 433 Q CB 1.218 29.930 28.738 -0.045 0.000 1.193 433 Q HN 0.227 8.497 8.270 0.000 0.000 0.508 434 K N 1.484 121.870 120.400 -0.023 0.000 2.518 434 K HA -0.024 4.295 4.320 -0.002 0.000 0.276 434 K C -0.437 176.155 176.600 -0.014 0.000 0.974 434 K CA 0.484 56.769 56.287 -0.004 0.000 0.986 434 K CB 0.273 32.796 32.500 0.039 0.000 0.901 434 K HN 0.454 8.704 8.250 0.000 0.000 0.497 435 D N 1.570 121.966 120.400 -0.006 0.000 2.350 435 D HA 0.323 4.962 4.640 -0.002 0.000 0.245 435 D C -1.796 174.520 176.300 0.027 0.000 1.036 435 D CA -2.004 51.991 54.000 -0.009 0.000 0.848 435 D CB 1.269 42.049 40.800 -0.035 0.000 1.307 435 D HN 0.188 8.558 8.370 0.000 0.000 0.469 436 P HA -0.145 4.275 4.420 0.000 0.000 0.222 436 P C 1.121 178.454 177.300 0.055 0.000 1.147 436 P CA 0.826 63.941 63.100 0.023 0.000 0.790 436 P CB 0.280 31.967 31.700 -0.022 0.000 0.780 437 Q N -0.087 119.741 119.800 0.046 0.000 2.084 437 Q HA -0.242 4.097 4.340 -0.002 0.000 0.202 437 Q C 2.431 178.529 176.000 0.163 0.000 0.978 437 Q CA 1.510 57.372 55.803 0.099 0.000 0.844 437 Q CB -0.180 28.594 28.738 0.059 0.000 0.898 437 Q HN 0.077 8.347 8.270 0.000 0.000 0.426 438 Q N 0.289 120.181 119.800 0.153 0.000 2.050 438 Q HA -0.206 4.133 4.340 -0.002 0.000 0.202 438 Q C 1.929 178.013 176.000 0.141 0.000 0.980 438 Q CA 1.907 57.830 55.803 0.200 0.000 0.840 438 Q CB -0.142 28.789 28.738 0.323 0.000 0.898 438 Q HN 0.135 8.405 8.270 0.000 0.000 0.424 439 R N -0.950 119.633 120.500 0.138 0.000 2.115 439 R HA -0.143 4.196 4.340 -0.002 0.000 0.230 439 R C 1.994 178.279 176.300 -0.025 0.000 1.111 439 R CA 1.415 57.517 56.100 0.002 0.000 0.976 439 R CB -1.018 29.340 30.300 0.096 0.000 0.870 439 R HN 0.468 8.738 8.270 0.000 0.000 0.445 440 Y N 0.660 120.917 120.300 -0.072 0.000 2.114 440 Y HA -0.225 4.324 4.550 -0.002 0.000 0.282 440 Y C 1.652 177.491 175.900 -0.102 0.000 1.165 440 Y CA 2.120 60.155 58.100 -0.107 0.000 1.148 440 Y CB -0.415 37.993 38.460 -0.087 0.000 0.972 440 Y HN 0.072 8.352 8.280 0.000 0.000 0.504 441 L N -0.280 120.849 121.223 -0.157 0.000 2.012 441 L HA -0.262 4.077 4.340 -0.002 0.000 0.210 441 L C 2.821 179.577 176.870 -0.190 0.000 1.073 441 L CA 1.350 56.070 54.840 -0.201 0.000 0.748 441 L CB -1.168 40.872 42.059 -0.032 0.000 0.891 441 L HN 0.346 8.576 8.230 0.000 0.000 0.431 442 A N -0.266 122.437 122.820 -0.195 0.000 1.940 442 A HA -0.246 4.073 4.320 -0.002 0.000 0.219 442 A C 1.916 179.396 177.584 -0.173 0.000 1.176 442 A CA 2.140 54.037 52.037 -0.234 0.000 0.631 442 A CB -0.509 18.103 19.000 -0.648 0.000 0.814 442 A HN 0.379 8.529 8.150 0.000 0.000 0.446 443 D N -0.901 119.373 120.400 -0.209 0.000 2.149 443 D HA -0.077 4.562 4.640 -0.002 0.000 0.201 443 D C 1.978 178.149 176.300 -0.216 0.000 0.972 443 D CA 0.938 54.837 54.000 -0.167 0.000 0.835 443 D CB -0.240 40.405 40.800 -0.258 0.000 0.966 443 D HN 0.242 8.612 8.370 0.000 0.000 0.476 444 M N 0.621 120.011 119.600 -0.350 0.000 2.132 444 M HA -0.007 4.472 4.480 -0.002 0.000 0.263 444 M C 2.280 178.573 176.300 -0.012 0.000 1.065 444 M CA 0.674 55.805 55.300 -0.281 0.000 1.122 444 M CB -1.187 31.182 32.600 -0.385 0.000 1.365 444 M HN -0.048 8.242 8.290 0.000 0.000 0.411 445 A N 0.395 123.214 122.820 -0.002 0.000 1.865 445 A HA -0.090 4.229 4.320 -0.002 0.000 0.217 445 A C 2.452 180.082 177.584 0.076 0.000 1.191 445 A CA 2.562 54.645 52.037 0.077 0.000 0.623 445 A CB -1.113 17.921 19.000 0.056 0.000 0.826 445 A HN 0.475 8.625 8.150 0.000 0.000 0.444 446 A N -1.525 121.321 122.820 0.043 0.000 1.883 446 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 446 A C 2.173 179.793 177.584 0.060 0.000 1.186 446 A CA 1.830 53.898 52.037 0.052 0.000 0.624 446 A CB -0.949 18.088 19.000 0.062 0.000 0.822 446 A HN 0.808 8.958 8.150 0.000 0.000 0.444 447 Y N 0.260 120.513 120.300 -0.078 0.000 2.128 447 Y HA -0.278 4.271 4.550 -0.002 0.000 0.284 447 Y C 2.423 178.226 175.900 -0.163 0.000 1.154 447 Y CA 2.387 60.401 58.100 -0.143 0.000 1.149 447 Y CB -0.381 37.895 38.460 -0.308 0.000 0.976 447 Y HN 0.497 8.777 8.280 0.000 0.000 0.505 448 H N -0.219 118.842 119.070 -0.015 0.000 2.546 448 H HA 0.047 4.602 4.556 -0.002 0.000 0.277 448 H C 1.795 177.061 175.328 -0.103 0.000 1.004 448 H CA 1.177 57.165 56.048 -0.101 0.000 1.231 448 H CB -0.082 29.692 29.762 0.021 0.000 1.382 448 H HN 0.405 8.685 8.280 0.000 0.000 0.580 449 L N -0.470 120.764 121.223 0.019 0.000 2.591 449 L HA 0.122 4.461 4.340 -0.002 0.000 0.228 449 L C 1.386 178.223 176.870 -0.055 0.000 1.133 449 L CA 0.450 55.287 54.840 -0.004 0.000 0.880 449 L CB 0.249 42.319 42.059 0.017 0.000 1.033 449 L HN 0.325 8.555 8.230 0.000 0.000 0.450 450 G N 0.215 108.940 108.800 -0.126 0.000 2.136 450 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.242 450 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.242 450 G C 0.170 175.011 174.900 -0.100 0.000 0.989 450 G CA -0.033 44.983 45.100 -0.140 0.000 0.682 450 G HN 0.238 8.528 8.290 0.000 0.000 0.522 451 L N -0.041 121.140 121.223 -0.070 0.000 2.387 451 L HA 0.550 4.888 4.340 -0.002 0.000 0.266 451 L C 0.206 177.073 176.870 -0.004 0.000 1.059 451 L CA -1.021 53.798 54.840 -0.035 0.000 0.801 451 L CB 0.937 42.984 42.059 -0.020 0.000 1.223 451 L HN 0.087 8.317 8.230 0.000 0.000 0.456 452 D N 0.189 120.570 120.400 -0.032 0.000 2.365 452 D HA 0.036 4.674 4.640 -0.002 0.000 0.237 452 D C 0.663 176.905 176.300 -0.095 0.000 1.190 452 D CA -0.275 53.691 54.000 -0.058 0.000 0.867 452 D CB 0.751 41.480 40.800 -0.118 0.000 1.050 452 D HN 0.414 8.784 8.370 0.000 0.000 0.491 453 Y N 2.594 122.881 120.300 -0.022 0.000 2.403 453 Y HA -0.134 4.415 4.550 -0.002 0.000 0.291 453 Y C 1.596 177.451 175.900 -0.074 0.000 1.143 453 Y CA 1.028 59.100 58.100 -0.047 0.000 1.257 453 Y CB -0.424 38.019 38.460 -0.030 0.000 0.984 453 Y HN 0.379 8.659 8.280 0.000 0.000 0.550 454 Q N 0.010 119.318 119.800 -0.821 0.000 2.291 454 Q HA -0.139 4.200 4.340 -0.002 0.000 0.205 454 Q C 1.651 177.454 176.000 -0.329 0.000 0.970 454 Q CA 0.936 56.386 55.803 -0.589 0.000 0.876 454 Q CB -0.050 28.330 28.738 -0.597 0.000 0.935 454 Q HN 0.576 8.846 8.270 0.000 0.000 0.455 455 Q N -0.170 119.451 119.800 -0.300 0.000 2.435 455 Q HA 0.030 4.369 4.340 -0.002 0.000 0.207 455 Q C 0.333 176.068 176.000 -0.442 0.000 0.956 455 Q CA 0.516 56.126 55.803 -0.321 0.000 0.917 455 Q CB 0.063 28.651 28.738 -0.250 0.000 0.997 455 Q HN 0.201 8.471 8.270 0.000 0.000 0.497 456 T N 2.254 116.629 114.554 -0.298 0.000 2.853 456 T HA 0.050 4.399 4.350 -0.002 0.000 0.298 456 T C 0.054 174.588 174.700 -0.277 0.000 0.978 456 T CA -0.029 61.914 62.100 -0.263 0.000 1.152 456 T CB 0.286 69.104 68.868 -0.084 0.000 0.914 456 T HN 0.127 8.367 8.240 0.000 0.000 0.539 457 H N 2.503 121.490 119.070 -0.138 0.000 2.620 457 H HA 0.185 4.739 4.556 -0.002 0.000 0.313 457 H C 0.308 175.624 175.328 -0.021 0.000 1.075 457 H CA -0.403 55.603 56.048 -0.071 0.000 1.397 457 H CB 0.898 30.626 29.762 -0.057 0.000 1.446 457 H HN 0.546 8.826 8.280 0.000 0.000 0.493 458 E N 3.740 124.006 120.200 0.110 0.000 2.070 458 E HA 0.086 4.435 4.350 -0.002 0.000 0.282 458 E C -0.467 176.152 176.600 0.032 0.000 1.104 458 E CA -0.328 56.122 56.400 0.084 0.000 0.876 458 E CB 0.190 29.949 29.700 0.098 0.000 1.055 458 E HN 0.358 8.718 8.360 0.000 0.000 0.401 459 M N 5.748 125.297 119.600 -0.084 0.000 2.423 459 M HA 0.397 4.876 4.480 -0.002 0.000 0.335 459 M C -2.149 174.166 176.300 0.024 0.000 1.177 459 M CA -2.694 52.545 55.300 -0.101 0.000 1.038 459 M CB 1.089 33.423 32.600 -0.444 0.000 1.641 459 M HN 0.326 8.616 8.290 0.000 0.000 0.455 460 P HA 0.429 4.849 4.420 0.000 0.000 0.276 460 P C -1.095 176.343 177.300 0.229 0.000 1.230 460 P CA -0.140 63.038 63.100 0.130 0.000 0.776 460 P CB 1.233 32.988 31.700 0.092 0.000 0.888 461 I N 1.253 121.936 120.570 0.188 0.000 2.802 461 I HA 0.553 4.722 4.170 -0.002 0.000 0.298 461 I C -0.560 175.629 176.117 0.120 0.000 1.176 461 I CA -1.287 60.120 61.300 0.179 0.000 1.025 461 I CB 2.244 40.376 38.000 0.219 0.000 1.243 461 I HN 0.422 8.632 8.210 0.000 0.000 0.424 462 A N 7.042 129.940 122.820 0.130 0.000 2.598 462 A HA 0.136 4.455 4.320 -0.002 0.000 0.239 462 A C -0.188 177.446 177.584 0.083 0.000 1.032 462 A CA 0.614 52.734 52.037 0.138 0.000 0.760 462 A CB -0.368 18.750 19.000 0.197 0.000 0.946 462 A HN 0.601 8.751 8.150 0.000 0.000 0.512 463 I N 2.810 123.403 120.570 0.038 0.000 2.371 463 I HA 0.073 4.242 4.170 -0.002 0.000 0.290 463 I C 1.109 177.180 176.117 -0.077 0.000 1.028 463 I CA -0.204 61.071 61.300 -0.043 0.000 1.345 463 I CB 1.067 39.061 38.000 -0.009 0.000 1.407 463 I HN 0.865 9.075 8.210 0.000 0.000 0.501 464 Q N 5.788 125.422 119.800 -0.276 0.000 2.286 464 Q HA 0.146 4.485 4.340 -0.002 0.000 0.290 464 Q C -0.189 175.809 176.000 -0.003 0.000 1.049 464 Q CA -0.395 55.301 55.803 -0.178 0.000 0.923 464 Q CB 0.667 29.261 28.738 -0.239 0.000 1.183 464 Q HN 0.687 8.957 8.270 0.000 0.000 0.383 469 S N -0.399 115.512 115.700 0.352 0.000 2.572 469 S HA 0.484 4.953 4.470 -0.002 0.000 0.228 469 S C 1.807 176.632 174.600 0.374 0.000 0.963 469 S CA 0.312 58.698 58.200 0.310 0.000 0.939 469 S CB 0.261 63.629 63.200 0.281 0.000 0.804 469 S HN 0.249 8.559 8.310 0.000 0.000 0.480 470 A N 2.272 125.307 122.820 0.358 0.000 1.917 470 A HA 0.099 4.418 4.320 -0.002 0.000 0.219 470 A C 2.275 180.017 177.584 0.263 0.000 1.182 470 A CA 1.748 53.979 52.037 0.322 0.000 0.633 470 A CB -1.713 17.493 19.000 0.342 0.000 0.819 470 A HN 0.657 8.807 8.150 0.000 0.000 0.448 471 G N -0.050 108.892 108.800 0.236 0.000 2.446 471 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.217 471 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.217 471 G C 1.061 175.852 174.900 -0.182 0.000 1.168 471 G CA 1.394 46.408 45.100 -0.143 0.000 0.771 471 G HN 0.532 8.822 8.290 0.000 0.000 0.551 472 D N -0.024 120.328 120.400 -0.080 0.000 2.123 472 D HA -0.068 4.571 4.640 -0.002 0.000 0.196 472 D C 2.132 178.312 176.300 -0.201 0.000 0.992 472 D CA 1.169 55.062 54.000 -0.178 0.000 0.833 472 D CB -0.387 40.328 40.800 -0.141 0.000 0.954 472 D HN 0.480 8.850 8.370 0.000 0.000 0.455 473 H N -0.518 118.501 119.070 -0.084 0.000 2.353 473 H HA -0.017 4.538 4.556 -0.002 0.000 0.300 473 H C 2.132 177.398 175.328 -0.103 0.000 1.090 473 H CA 0.926 56.935 56.048 -0.065 0.000 1.327 473 H CB -0.208 29.558 29.762 0.007 0.000 1.383 473 H HN -0.036 8.244 8.280 0.000 0.000 0.508 474 V N 0.604 120.519 119.914 0.002 0.000 2.295 474 V HA -0.248 3.870 4.120 -0.002 0.000 0.246 474 V C 2.407 178.384 176.094 -0.195 0.000 1.049 474 V CA 1.685 63.941 62.300 -0.073 0.000 1.024 474 V CB -0.568 31.202 31.823 -0.088 0.000 0.648 474 V HN 0.359 8.549 8.190 0.000 0.000 0.447 475 L N -0.365 120.656 121.223 -0.336 0.000 1.994 475 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 475 L C 2.682 179.305 176.870 -0.412 0.000 1.071 475 L CA 2.136 56.664 54.840 -0.519 0.000 0.745 475 L CB -1.137 40.389 42.059 -0.888 0.000 0.892 475 L HN 0.377 8.607 8.230 0.000 0.000 0.431 476 T N -0.301 114.054 114.554 -0.332 0.000 2.720 476 T HA -0.169 4.180 4.350 -0.002 0.000 0.268 476 T C 1.815 176.414 174.700 -0.168 0.000 1.037 476 T CA 1.406 63.370 62.100 -0.227 0.000 1.144 476 T CB -0.712 68.026 68.868 -0.217 0.000 0.864 476 T HN 0.568 8.808 8.240 0.000 0.000 0.444 477 G N 1.177 109.882 108.800 -0.158 0.000 2.418 477 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.217 477 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.217 477 G C 1.545 176.371 174.900 -0.123 0.000 1.158 477 G CA 0.507 45.510 45.100 -0.161 0.000 0.771 477 G HN 0.495 8.785 8.290 0.000 0.000 0.545 478 I N 0.436 120.913 120.570 -0.155 0.000 2.179 478 I HA -0.157 4.012 4.170 -0.002 0.000 0.242 478 I C 2.673 178.582 176.117 -0.345 0.000 1.088 478 I CA 1.659 62.780 61.300 -0.299 0.000 1.357 478 I CB -0.174 37.579 38.000 -0.412 0.000 1.051 478 I HN 0.259 8.469 8.210 0.000 0.000 0.409 479 E N 0.901 120.977 120.200 -0.207 0.000 2.031 479 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 479 E C 2.155 178.800 176.600 0.075 0.000 0.994 479 E CA 1.617 57.987 56.400 -0.050 0.000 0.800 479 E CB -0.123 29.581 29.700 0.006 0.000 0.752 479 E HN 0.209 8.569 8.360 0.000 0.000 0.447 480 V N 0.911 120.824 119.914 -0.002 0.000 2.255 480 V HA -0.285 3.833 4.120 -0.002 0.000 0.247 480 V C 2.509 178.665 176.094 0.104 0.000 1.051 480 V CA 1.970 64.286 62.300 0.027 0.000 1.018 480 V CB -0.551 31.259 31.823 -0.022 0.000 0.641 480 V HN 0.355 8.545 8.190 0.000 0.000 0.445 481 L N -0.234 121.051 121.223 0.104 0.000 2.056 481 L HA -0.128 4.211 4.340 -0.002 0.000 0.207 481 L C 2.774 179.766 176.870 0.204 0.000 1.078 481 L CA 1.409 56.409 54.840 0.267 0.000 0.749 481 L CB -0.890 41.438 42.059 0.448 0.000 0.901 481 L HN 0.377 8.607 8.230 0.000 0.000 0.433 482 A N -0.120 122.712 122.820 0.019 0.000 1.892 482 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 482 A C 1.967 179.524 177.584 -0.044 0.000 1.188 482 A CA 2.113 54.121 52.037 -0.048 0.000 0.631 482 A CB -0.947 17.992 19.000 -0.102 0.000 0.822 482 A HN 0.449 8.599 8.150 0.000 0.000 0.447 483 H N -0.751 118.319 119.070 -0.001 0.000 2.421 483 H HA -0.017 4.538 4.556 -0.002 0.000 0.298 483 H C 2.291 177.642 175.328 0.038 0.000 1.087 483 H CA 1.648 57.703 56.048 0.012 0.000 1.330 483 H CB -0.051 29.714 29.762 0.004 0.000 1.388 483 H HN 0.470 8.750 8.280 0.000 0.000 0.526 484 R N -0.231 120.379 120.500 0.184 0.000 2.115 484 R HA -0.069 4.270 4.340 -0.002 0.000 0.230 484 R C 2.098 178.480 176.300 0.137 0.000 1.111 484 R CA 1.122 57.335 56.100 0.189 0.000 0.976 484 R CB -0.162 30.310 30.300 0.287 0.000 0.870 484 R HN 0.174 8.444 8.270 0.000 0.000 0.445 485 V N 1.118 121.045 119.914 0.022 0.000 2.307 485 V HA -0.211 3.908 4.120 -0.002 0.000 0.245 485 V C 2.128 178.178 176.094 -0.073 0.000 1.045 485 V CA 1.394 63.619 62.300 -0.126 0.000 1.024 485 V CB -0.366 31.273 31.823 -0.306 0.000 0.651 485 V HN 0.159 8.349 8.190 0.000 0.000 0.449 486 L N 1.402 122.585 121.223 -0.066 0.000 2.046 486 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 486 L C 2.055 178.916 176.870 -0.015 0.000 1.077 486 L CA 2.281 57.085 54.840 -0.060 0.000 0.747 486 L CB -0.976 41.026 42.059 -0.096 0.000 0.896 486 L HN 0.679 8.909 8.230 0.000 0.000 0.432 487 D N -1.621 118.791 120.400 0.020 0.000 2.339 487 D HA 0.103 4.742 4.640 -0.002 0.000 0.217 487 D C 1.382 177.694 176.300 0.019 0.000 1.050 487 D CA 0.606 54.628 54.000 0.037 0.000 0.856 487 D CB -0.229 40.614 40.800 0.071 0.000 0.922 487 D HN 0.238 8.608 8.370 0.000 0.000 0.518 488 G N 0.628 109.423 108.800 -0.007 0.000 2.221 488 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.265 488 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.265 488 G C 0.863 175.650 174.900 -0.189 0.000 1.041 488 G CA 1.008 46.068 45.100 -0.067 0.000 0.807 488 G HN 0.644 8.934 8.290 0.000 0.000 0.502 489 T N -3.800 110.705 114.554 -0.082 0.000 3.023 489 T HA 0.280 4.629 4.350 -0.002 0.000 0.253 489 T C 1.767 176.451 174.700 -0.026 0.000 1.038 489 T CA 0.827 62.852 62.100 -0.124 0.000 0.962 489 T CB -0.010 68.942 68.868 0.140 0.000 1.018 489 T HN 0.524 8.764 8.240 0.000 0.000 0.521 490 F N 3.112 122.997 119.950 -0.109 0.000 2.161 490 F HA -0.055 4.471 4.527 -0.002 0.000 0.300 490 F C 1.323 177.076 175.800 -0.078 0.000 1.089 490 F CA 1.448 59.413 58.000 -0.058 0.000 1.282 490 F CB -0.130 38.853 39.000 -0.028 0.000 1.010 490 F HN 0.101 8.401 8.300 0.000 0.000 0.485 491 D N -1.354 119.035 120.400 -0.018 0.000 2.349 491 D HA -0.058 4.581 4.640 -0.002 0.000 0.215 491 D C 0.131 176.397 176.300 -0.058 0.000 1.016 491 D CA 0.306 54.264 54.000 -0.069 0.000 0.870 491 D CB -0.277 40.517 40.800 -0.010 0.000 0.917 491 D HN 0.162 8.532 8.370 0.000 0.000 0.524 492 Y N 1.364 121.656 120.300 -0.014 0.000 2.457 492 Y HA 0.279 4.828 4.550 -0.002 0.000 0.341 492 Y C 1.116 176.982 175.900 -0.058 0.000 1.240 492 Y CA -1.634 56.453 58.100 -0.020 0.000 1.437 492 Y CB 0.134 38.591 38.460 -0.005 0.000 1.328 492 Y HN -0.178 8.102 8.280 0.000 0.000 0.588 493 A N 1.415 124.318 122.820 0.138 0.000 2.567 493 A HA 0.368 4.686 4.320 -0.002 0.000 0.240 493 A C 1.466 179.066 177.584 0.027 0.000 1.053 493 A CA 0.775 52.836 52.037 0.040 0.000 0.755 493 A CB -1.106 17.907 19.000 0.023 0.000 0.978 493 A HN 1.580 9.730 8.150 0.000 0.000 0.507 494 G N 1.555 110.344 108.800 -0.018 0.000 2.184 494 G HA2 -0.168 3.790 3.960 -0.002 0.000 0.264 494 G HA3 -0.168 3.790 3.960 -0.002 0.000 0.264 494 G C 1.308 176.187 174.900 -0.035 0.000 0.975 494 G CA 0.947 46.035 45.100 -0.020 0.000 0.642 494 G HN 1.982 10.272 8.290 0.000 0.000 0.536 495 G N -0.455 108.307 108.800 -0.062 0.000 2.679 495 G HA2 0.179 4.137 3.960 -0.002 0.000 0.212 495 G HA3 0.179 4.137 3.960 -0.002 0.000 0.212 495 G C 1.300 176.060 174.900 -0.233 0.000 1.137 495 G CA 1.095 46.141 45.100 -0.091 0.000 0.787 495 G HN 0.554 8.844 8.290 0.000 0.000 0.534 496 R N -0.214 120.105 120.500 -0.302 0.000 2.577 496 R HA 0.176 4.515 4.340 -0.002 0.000 0.344 496 R C -0.487 175.797 176.300 -0.026 0.000 1.037 496 R CA -0.411 55.497 56.100 -0.320 0.000 1.102 496 R CB 0.529 30.388 30.300 -0.735 0.000 1.313 496 R HN 0.080 8.350 8.270 0.000 0.000 0.561 497 D N 0.501 120.896 120.400 -0.007 0.000 2.308 497 D HA 0.076 4.714 4.640 -0.002 0.000 0.251 497 D C 0.318 176.657 176.300 0.066 0.000 1.127 497 D CA 0.129 54.169 54.000 0.067 0.000 0.876 497 D CB 1.096 41.916 40.800 0.033 0.000 1.176 497 D HN 0.112 8.482 8.370 0.000 0.000 0.446 498 L N 3.127 124.415 121.223 0.108 0.000 3.122 498 L HA 0.073 4.412 4.340 -0.002 0.000 0.274 498 L C 1.868 178.776 176.870 0.063 0.000 1.222 498 L CA -0.147 54.710 54.840 0.028 0.000 1.028 498 L CB 0.376 42.364 42.059 -0.119 0.000 1.386 498 L HN 0.350 8.580 8.230 0.000 0.000 0.578 499 T N -0.614 113.987 114.554 0.078 0.000 2.699 499 T HA -0.186 4.163 4.350 -0.002 0.000 0.268 499 T C 1.073 175.806 174.700 0.055 0.000 1.036 499 T CA 1.537 63.680 62.100 0.071 0.000 1.147 499 T CB -0.070 68.833 68.868 0.058 0.000 0.862 499 T HN 0.288 8.528 8.240 0.000 0.000 0.446 500 D N 1.180 121.603 120.400 0.038 0.000 2.325 500 D HA 0.199 4.838 4.640 -0.002 0.000 0.225 500 D C 0.852 177.161 176.300 0.014 0.000 1.096 500 D CA -0.129 53.886 54.000 0.026 0.000 0.844 500 D CB -0.298 40.512 40.800 0.017 0.000 0.925 500 D HN 0.577 8.947 8.370 0.000 0.000 0.513 501 I N -1.058 119.520 120.570 0.014 0.000 2.938 501 I HA 0.145 4.314 4.170 -0.002 0.000 0.285 501 I C -0.269 175.832 176.117 -0.026 0.000 1.182 501 I CA -0.022 61.268 61.300 -0.017 0.000 1.388 501 I CB 0.646 38.623 38.000 -0.037 0.000 1.390 501 I HN -0.263 7.947 8.210 0.000 0.000 0.600 502 E N 4.728 124.887 120.200 -0.069 0.000 2.580 502 E HA 0.400 4.749 4.350 -0.002 0.000 0.248 502 E C -2.491 174.022 176.600 -0.145 0.000 1.018 502 E CA -1.666 54.683 56.400 -0.084 0.000 0.775 502 E CB 1.126 30.796 29.700 -0.050 0.000 1.378 502 E HN 0.550 8.910 8.360 0.000 0.000 0.401 503 P HA 0.119 4.539 4.420 0.000 0.000 0.275 503 P C -1.186 175.995 177.300 -0.198 0.000 1.228 503 P CA -0.319 62.601 63.100 -0.300 0.000 0.786 503 P CB 0.594 31.942 31.700 -0.588 0.000 0.927 504 D N -0.524 119.784 120.400 -0.153 0.000 2.964 504 D HA 0.309 4.948 4.640 -0.002 0.000 0.234 504 D C 0.558 176.805 176.300 -0.087 0.000 1.223 504 D CA -0.936 53.006 54.000 -0.097 0.000 0.889 504 D CB 1.415 42.174 40.800 -0.069 0.000 1.609 504 D HN -0.090 8.280 8.370 0.000 0.000 0.523 505 R N 2.509 122.971 120.500 -0.064 0.000 2.075 505 R HA 0.047 4.386 4.340 -0.002 0.000 0.232 505 R C 2.022 178.293 176.300 -0.049 0.000 1.126 505 R CA 2.089 58.153 56.100 -0.060 0.000 0.963 505 R CB -1.062 29.214 30.300 -0.039 0.000 0.858 505 R HN 0.677 8.947 8.270 0.000 0.000 0.435 506 G N 0.994 109.771 108.800 -0.037 0.000 2.599 506 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.219 506 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.219 506 G C 1.326 176.214 174.900 -0.019 0.000 1.193 506 G CA 1.242 46.326 45.100 -0.027 0.000 0.778 506 G HN 0.426 8.716 8.290 0.000 0.000 0.589 507 L N 0.269 121.481 121.223 -0.018 0.000 2.240 507 L HA 0.258 4.597 4.340 -0.002 0.000 0.211 507 L C 2.578 179.476 176.870 0.046 0.000 1.106 507 L CA 0.981 55.822 54.840 0.002 0.000 0.793 507 L CB -0.142 41.913 42.059 -0.006 0.000 0.927 507 L HN 0.291 8.521 8.230 0.000 0.000 0.446 508 I N -0.510 120.081 120.570 0.036 0.000 2.142 508 I HA -0.280 3.889 4.170 -0.002 0.000 0.240 508 I C 2.638 178.799 176.117 0.074 0.000 1.078 508 I CA 1.264 62.618 61.300 0.090 0.000 1.343 508 I CB -0.294 37.657 38.000 -0.081 0.000 1.046 508 I HN 0.226 8.436 8.210 0.000 0.000 0.405 509 R N 0.468 120.972 120.500 0.006 0.000 2.103 509 R HA -0.214 4.124 4.340 -0.002 0.000 0.242 509 R C 1.915 178.218 176.300 0.005 0.000 1.142 509 R CA 1.930 58.027 56.100 -0.005 0.000 0.960 509 R CB -0.448 29.836 30.300 -0.026 0.000 0.858 509 R HN 0.349 8.619 8.270 0.000 0.000 0.439 510 D N -0.195 120.207 120.400 0.003 0.000 2.117 510 D HA -0.106 4.533 4.640 -0.002 0.000 0.197 510 D C 1.959 178.251 176.300 -0.014 0.000 0.987 510 D CA 1.165 55.161 54.000 -0.007 0.000 0.829 510 D CB -0.009 40.785 40.800 -0.011 0.000 0.961 510 D HN 0.091 8.461 8.370 0.000 0.000 0.460 511 R N -0.310 120.187 120.500 -0.005 0.000 2.092 511 R HA 0.070 4.409 4.340 -0.002 0.000 0.231 511 R C 2.354 178.622 176.300 -0.054 0.000 1.119 511 R CA 0.480 56.541 56.100 -0.064 0.000 0.970 511 R CB -0.141 30.075 30.300 -0.141 0.000 0.864 511 R HN 0.201 8.471 8.270 0.000 0.000 0.440 512 L N -0.264 120.972 121.223 0.022 0.000 2.141 512 L HA -0.095 4.243 4.340 -0.002 0.000 0.209 512 L C 2.379 179.255 176.870 0.009 0.000 1.094 512 L CA 0.979 55.840 54.840 0.036 0.000 0.763 512 L CB -0.415 41.695 42.059 0.084 0.000 0.908 512 L HN 0.264 8.494 8.230 0.000 0.000 0.437 513 A N -0.820 122.000 122.820 -0.001 0.000 2.119 513 A HA -0.128 4.190 4.320 -0.002 0.000 0.217 513 A C 1.301 178.874 177.584 -0.019 0.000 1.153 513 A CA 0.621 52.653 52.037 -0.008 0.000 0.692 513 A CB -0.280 18.714 19.000 -0.011 0.000 0.799 513 A HN 0.428 8.578 8.150 0.000 0.000 0.458 514 Q N 0.189 119.970 119.800 -0.031 0.000 2.835 514 Q HA 0.578 4.916 4.340 -0.002 0.000 0.235 514 Q C -0.250 175.724 176.000 -0.043 0.000 1.313 514 Q CA 0.102 55.881 55.803 -0.040 0.000 1.053 514 Q CB 0.300 29.006 28.738 -0.053 0.000 1.443 514 Q HN 0.566 8.836 8.270 0.000 0.000 0.576 515 A N 0.000 122.802 122.820 -0.031 0.000 2.254 515 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 515 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 515 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 515 A HN 0.000 8.150 8.150 0.000 0.000 0.486