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 3h3s_1_B DATA FIRST_RESID 365 DATA SEQUENCE HRFVQKVEEM VQNHMTYSLQ DVGGDANWQL VVEEGEMKVY RREVEENGIV DATA SEQUENCE LDPLKATHAV KGVTGHEVCN YFWNVDVRND WETTIENFHV VETLADNAII DATA SEQUENCE IYQTHKRVWP ASQRDVLYLS VIRKIPALTE NDPETWIVCN FSVDHDSAPL DATA SEQUENCE NNRCVRAKIN VAMICQTLVS PPEGNQEISR DNILCKITYV ANVNPGGWAP DATA SEQUENCE ASVLRAVAKR EYPKFLKRFT SYVQEKTAGK PILF 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 365 H HA 0.000 4.556 4.556 0.000 0.000 0.296 365 H C 0.000 175.371 175.328 0.072 0.000 0.993 365 H CA 0.000 56.106 56.048 0.097 0.000 1.023 365 H CB 0.000 29.857 29.762 0.158 0.000 1.292 366 R N -0.111 120.507 120.500 0.197 0.000 2.235 366 R HA 0.084 3.368 4.340 -1.761 0.000 0.213 366 R C -0.216 176.032 176.300 -0.085 0.000 1.059 366 R CA 1.367 57.440 56.100 -0.046 0.000 0.997 366 R CB -0.179 29.994 30.300 -0.212 0.000 0.884 366 R HN 0.315 8.585 8.270 0.000 0.000 0.462 367 F N 1.371 121.575 119.950 0.424 0.000 2.660 367 F HA 0.108 3.583 4.527 -1.753 0.000 0.302 367 F C 1.969 177.935 175.800 0.275 0.000 1.103 367 F CA -0.411 57.816 58.000 0.379 0.000 1.340 367 F CB 0.592 39.866 39.000 0.457 0.000 1.048 367 F HN -0.138 8.162 8.300 0.000 0.000 0.551 368 V N -1.731 118.230 119.914 0.079 0.000 2.343 368 V HA -0.298 2.765 4.120 -1.761 0.000 0.247 368 V C 2.004 178.148 176.094 0.082 0.000 1.051 368 V CA 1.771 64.044 62.300 -0.044 0.000 1.036 368 V CB -1.053 30.619 31.823 -0.251 0.000 0.654 368 V HN 0.346 8.536 8.190 0.000 0.000 0.451 369 Q N 0.520 120.362 119.800 0.069 0.000 2.084 369 Q HA -0.235 3.048 4.340 -1.761 0.000 0.202 369 Q C 2.368 178.417 176.000 0.082 0.000 0.978 369 Q CA 2.084 57.922 55.803 0.060 0.000 0.844 369 Q CB -0.326 28.433 28.738 0.036 0.000 0.898 369 Q HN 0.631 8.901 8.270 0.000 0.000 0.426 370 K N 0.664 121.150 120.400 0.144 0.000 2.032 370 K HA -0.146 3.118 4.320 -1.761 0.000 0.209 370 K C 1.849 178.458 176.600 0.016 0.000 1.048 370 K CA 1.227 57.565 56.287 0.085 0.000 0.927 370 K CB -0.532 32.108 32.500 0.233 0.000 0.712 370 K HN 0.025 8.275 8.250 0.000 0.000 0.441 371 V N 1.614 121.669 119.914 0.235 0.000 2.255 371 V HA -0.257 2.807 4.120 -1.761 0.000 0.247 371 V C 2.345 178.520 176.094 0.135 0.000 1.051 371 V CA 2.146 64.616 62.300 0.284 0.000 1.018 371 V CB -0.479 31.589 31.823 0.408 0.000 0.641 371 V HN 0.418 8.608 8.190 0.000 0.000 0.445 372 E N -0.303 119.957 120.200 0.100 0.000 2.085 372 E HA -0.280 3.013 4.350 -1.761 0.000 0.194 372 E C 2.274 178.892 176.600 0.031 0.000 0.994 372 E CA 1.624 58.057 56.400 0.057 0.000 0.801 372 E CB -0.193 29.529 29.700 0.037 0.000 0.743 372 E HN 0.745 9.105 8.360 0.000 0.000 0.453 373 E N 0.065 120.268 120.200 0.005 0.000 2.072 373 E HA -0.174 3.120 4.350 -1.761 0.000 0.191 373 E C 2.021 178.600 176.600 -0.035 0.000 0.985 373 E CA 0.854 57.243 56.400 -0.019 0.000 0.801 373 E CB 0.106 29.784 29.700 -0.038 0.000 0.750 373 E HN 0.096 8.456 8.360 0.000 0.000 0.452 374 M N 0.479 120.032 119.600 -0.077 0.000 2.132 374 M HA -0.112 3.311 4.480 -1.761 0.000 0.263 374 M C 2.453 178.831 176.300 0.130 0.000 1.065 374 M CA 0.830 56.095 55.300 -0.058 0.000 1.122 374 M CB -0.874 31.587 32.600 -0.231 0.000 1.365 374 M HN 0.080 8.370 8.290 0.000 0.000 0.411 375 V N 0.501 120.496 119.914 0.135 0.000 2.295 375 V HA -0.272 2.791 4.120 -1.761 0.000 0.246 375 V C 2.557 178.720 176.094 0.114 0.000 1.049 375 V CA 2.061 64.455 62.300 0.156 0.000 1.024 375 V CB -0.826 31.063 31.823 0.110 0.000 0.648 375 V HN 0.448 8.638 8.190 0.000 0.000 0.447 376 Q N 0.665 120.502 119.800 0.062 0.000 2.084 376 Q HA -0.186 3.097 4.340 -1.761 0.000 0.202 376 Q C 1.947 177.974 176.000 0.045 0.000 0.978 376 Q CA 2.028 57.853 55.803 0.035 0.000 0.844 376 Q CB -0.414 28.333 28.738 0.016 0.000 0.898 376 Q HN 0.608 8.878 8.270 0.000 0.000 0.426 377 N N -0.475 118.254 118.700 0.049 0.000 2.188 377 N HA -0.140 3.543 4.740 -1.761 0.000 0.184 377 N C 1.577 177.132 175.510 0.074 0.000 1.018 377 N CA 1.321 54.424 53.050 0.088 0.000 0.858 377 N CB -0.341 38.128 38.487 -0.031 0.000 0.989 377 N HN 0.439 8.819 8.380 0.000 0.000 0.426 378 H N 0.015 119.146 119.070 0.101 0.000 2.357 378 H HA 0.068 3.577 4.556 -1.745 0.000 0.301 378 H C 1.835 177.193 175.328 0.050 0.000 1.082 378 H CA 0.892 56.989 56.048 0.082 0.000 1.342 378 H CB 0.121 29.920 29.762 0.062 0.000 1.389 378 H HN 0.143 8.423 8.280 0.000 0.000 0.511 379 M N 0.135 119.820 119.600 0.141 0.000 2.159 379 M HA -0.111 3.312 4.480 -1.761 0.000 0.263 379 M C 2.191 178.479 176.300 -0.020 0.000 1.063 379 M CA 1.176 56.505 55.300 0.049 0.000 1.110 379 M CB -1.130 31.482 32.600 0.021 0.000 1.374 379 M HN 0.151 8.441 8.290 0.000 0.000 0.411 380 T N -0.802 113.712 114.554 -0.065 0.000 2.770 380 T HA -0.093 3.200 4.350 -1.761 0.000 0.258 380 T C 1.634 176.136 174.700 -0.331 0.000 1.039 380 T CA 1.313 63.261 62.100 -0.253 0.000 1.143 380 T CB -0.253 68.374 68.868 -0.401 0.000 0.866 380 T HN 0.329 8.569 8.240 0.000 0.000 0.428 381 Y N 0.517 120.796 120.300 -0.034 0.000 2.503 381 Y HA 0.277 3.767 4.550 -1.767 0.000 0.277 381 Y C 2.688 178.570 175.900 -0.031 0.000 1.102 381 Y CA -0.006 58.071 58.100 -0.038 0.000 1.261 381 Y CB 0.230 38.660 38.460 -0.051 0.000 1.096 381 Y HN 0.074 8.354 8.280 0.000 0.000 0.546 382 S N 0.028 115.816 115.700 0.148 0.000 2.527 382 S HA 0.083 3.496 4.470 -1.761 0.000 0.222 382 S C 1.354 175.962 174.600 0.012 0.000 0.985 382 S CA 0.522 58.791 58.200 0.115 0.000 0.921 382 S CB -0.113 63.246 63.200 0.264 0.000 0.772 382 S HN 0.338 8.648 8.310 0.000 0.000 0.529 383 L N 1.246 122.465 121.223 -0.006 0.000 2.653 383 L HA 0.222 3.506 4.340 -1.761 0.000 0.231 383 L C 0.273 177.093 176.870 -0.085 0.000 1.153 383 L CA 0.071 54.886 54.840 -0.043 0.000 0.933 383 L CB -0.197 41.847 42.059 -0.026 0.000 1.175 383 L HN 0.210 8.440 8.230 0.000 0.000 0.473 384 Q N 0.748 120.484 119.800 -0.106 0.000 2.314 384 Q HA 0.059 3.342 4.340 -1.761 0.000 0.258 384 Q C -0.228 175.638 176.000 -0.223 0.000 0.954 384 Q CA -0.326 55.397 55.803 -0.133 0.000 0.890 384 Q CB 1.298 29.980 28.738 -0.094 0.000 1.210 384 Q HN -0.033 8.237 8.270 0.000 0.000 0.410 385 D N 2.203 122.483 120.400 -0.199 0.000 2.359 385 D HA 0.016 3.600 4.640 -1.761 0.000 0.250 385 D C 0.686 176.776 176.300 -0.351 0.000 1.264 385 D CA -0.277 53.578 54.000 -0.241 0.000 0.911 385 D CB 0.971 41.684 40.800 -0.145 0.000 1.056 385 D HN 0.405 8.775 8.370 0.000 0.000 0.499 386 V N 2.268 121.817 119.914 -0.609 0.000 3.461 386 V HA 0.186 3.249 4.120 -1.761 0.000 0.267 386 V C 2.035 177.753 176.094 -0.625 0.000 1.186 386 V CA 0.948 62.755 62.300 -0.823 0.000 1.154 386 V CB -0.395 30.517 31.823 -1.518 0.000 0.802 386 V HN 0.459 8.649 8.190 0.000 0.000 0.474 387 G N 1.229 109.745 108.800 -0.473 0.000 2.448 387 G HA2 -0.042 2.862 3.960 -1.761 0.000 0.219 387 G HA3 -0.042 2.862 3.960 -1.761 0.000 0.219 387 G C 1.335 176.227 174.900 -0.013 0.000 1.127 387 G CA 0.787 45.827 45.100 -0.100 0.000 0.766 387 G HN 0.754 9.044 8.290 0.000 0.000 0.552 388 G N -0.880 107.882 108.800 -0.063 0.000 3.126 388 G HA2 0.152 3.056 3.960 -1.761 0.000 0.224 388 G HA3 0.152 3.056 3.960 -1.761 0.000 0.224 388 G C -0.090 174.810 174.900 0.001 0.000 1.142 388 G CA -0.006 45.086 45.100 -0.013 0.000 0.759 388 G HN 0.279 8.569 8.290 0.000 0.000 0.550 389 D N 1.344 121.732 120.400 -0.021 0.000 2.365 389 D HA 0.424 4.008 4.640 -1.761 0.000 0.237 389 D C 1.373 177.765 176.300 0.155 0.000 1.190 389 D CA -0.241 53.796 54.000 0.062 0.000 0.867 389 D CB 1.429 42.263 40.800 0.057 0.000 1.050 389 D HN 0.025 8.395 8.370 0.000 0.000 0.491 390 A N 4.043 126.933 122.820 0.118 0.000 2.239 390 A HA -0.096 3.168 4.320 -1.761 0.000 0.209 390 A C 1.614 179.265 177.584 0.112 0.000 1.171 390 A CA 0.562 52.663 52.037 0.107 0.000 0.768 390 A CB -0.347 18.693 19.000 0.066 0.000 0.790 390 A HN 0.652 8.802 8.150 0.000 0.000 0.478 391 N N -1.920 116.867 118.700 0.145 0.000 2.463 391 N HA 0.031 3.714 4.740 -1.761 0.000 0.181 391 N C -0.335 175.166 175.510 -0.014 0.000 1.078 391 N CA 0.179 53.261 53.050 0.053 0.000 0.902 391 N CB 0.090 38.588 38.487 0.019 0.000 0.970 391 N HN 0.635 9.015 8.380 0.000 0.000 0.451 392 W N 1.137 122.441 121.300 0.006 0.000 2.516 392 W HA 0.438 4.021 4.660 -1.796 0.000 0.343 392 W C 0.058 176.631 176.519 0.091 0.000 1.094 392 W CA -0.591 56.774 57.345 0.034 0.000 1.250 392 W CB 0.874 30.326 29.460 -0.014 0.000 1.308 392 W HN -0.207 7.973 8.180 0.000 0.000 0.588 393 Q N 2.380 122.381 119.800 0.335 0.000 2.333 393 Q HA 0.394 3.677 4.340 -1.761 0.000 0.267 393 Q C -1.265 174.913 176.000 0.296 0.000 1.012 393 Q CA -1.105 54.845 55.803 0.245 0.000 0.824 393 Q CB 1.571 30.375 28.738 0.109 0.000 1.290 393 Q HN 0.459 8.729 8.270 0.000 0.000 0.449 394 L N 6.368 127.711 121.223 0.201 0.000 2.342 394 L HA 0.120 3.403 4.340 -1.761 0.000 0.285 394 L C 0.193 177.016 176.870 -0.078 0.000 1.095 394 L CA 0.534 55.319 54.840 -0.092 0.000 0.843 394 L CB 0.869 42.830 42.059 -0.164 0.000 1.201 394 L HN 0.691 8.921 8.230 0.000 0.000 0.445 395 V N 3.397 123.266 119.914 -0.076 0.000 3.263 395 V HA 0.349 3.412 4.120 -1.761 0.000 0.248 395 V C 0.489 176.553 176.094 -0.050 0.000 1.145 395 V CA 0.279 62.560 62.300 -0.031 0.000 1.107 395 V CB 0.252 32.082 31.823 0.011 0.000 0.797 395 V HN 0.373 8.563 8.190 0.000 0.000 0.467 396 V N 0.930 120.789 119.914 -0.091 0.000 2.760 396 V HA 0.635 3.699 4.120 -1.761 0.000 0.309 396 V C -0.946 175.067 176.094 -0.135 0.000 1.077 396 V CA -0.443 61.809 62.300 -0.081 0.000 0.910 396 V CB 2.076 33.876 31.823 -0.039 0.000 1.008 396 V HN 0.561 8.751 8.190 0.000 0.000 0.424 397 E N 2.784 122.917 120.200 -0.111 0.000 2.331 397 E HA 0.661 3.954 4.350 -1.761 0.000 0.275 397 E C -1.592 174.952 176.600 -0.094 0.000 0.895 397 E CA -0.550 55.774 56.400 -0.126 0.000 0.753 397 E CB 2.438 32.064 29.700 -0.124 0.000 1.216 397 E HN 0.743 9.103 8.360 0.000 0.000 0.434 398 E N 2.502 122.637 120.200 -0.108 0.000 2.406 398 E HA 0.318 3.611 4.350 -1.761 0.000 0.297 398 E C -0.012 176.535 176.600 -0.089 0.000 0.917 398 E CA 0.232 56.582 56.400 -0.084 0.000 0.795 398 E CB 1.451 31.098 29.700 -0.088 0.000 1.285 398 E HN 0.873 9.233 8.360 0.000 0.000 0.400 399 G N 3.833 112.604 108.800 -0.048 0.000 2.672 399 G HA2 -0.370 2.533 3.960 -1.761 0.000 0.324 399 G HA3 -0.370 2.533 3.960 -1.761 0.000 0.324 399 G C 0.604 175.490 174.900 -0.024 0.000 1.286 399 G CA 0.704 45.791 45.100 -0.021 0.000 1.004 399 G HN 0.628 8.918 8.290 0.000 0.000 0.548 400 E N 0.584 120.798 120.200 0.024 0.000 2.502 400 E HA 0.128 3.421 4.350 -1.761 0.000 0.194 400 E C 1.352 177.921 176.600 -0.051 0.000 1.062 400 E CA 0.212 56.650 56.400 0.063 0.000 0.867 400 E CB 0.123 29.958 29.700 0.225 0.000 0.888 400 E HN 0.525 8.885 8.360 0.000 0.000 0.510 401 M N 1.378 120.791 119.600 -0.310 0.000 2.209 401 M HA 0.206 3.629 4.480 -1.761 0.000 0.355 401 M C -0.947 175.203 176.300 -0.250 0.000 1.171 401 M CA -0.081 54.917 55.300 -0.503 0.000 1.069 401 M CB 0.751 32.887 32.600 -0.774 0.000 1.622 401 M HN -0.326 7.964 8.290 0.000 0.000 0.459 402 K N 3.928 124.215 120.400 -0.188 0.000 2.443 402 K HA 0.634 3.898 4.320 -1.761 0.000 0.252 402 K C -1.715 174.738 176.600 -0.246 0.000 0.933 402 K CA -0.821 55.317 56.287 -0.248 0.000 0.792 402 K CB 2.742 35.090 32.500 -0.253 0.000 1.185 402 K HN 0.481 8.731 8.250 0.000 0.000 0.425 403 V N 3.825 123.554 119.914 -0.309 0.000 2.487 403 V HA 0.439 3.502 4.120 -1.761 0.000 0.298 403 V C -1.220 174.776 176.094 -0.164 0.000 1.028 403 V CA -0.861 61.371 62.300 -0.113 0.000 0.860 403 V CB 0.730 32.543 31.823 -0.017 0.000 0.991 403 V HN 0.629 8.819 8.190 0.000 0.000 0.427 404 Y N 3.849 124.217 120.300 0.112 0.000 2.562 404 Y HA 0.857 4.341 4.550 -1.777 0.000 0.343 404 Y C 0.392 176.483 175.900 0.318 0.000 1.025 404 Y CA -1.024 57.205 58.100 0.215 0.000 1.082 404 Y CB 2.101 40.717 38.460 0.259 0.000 1.264 404 Y HN 0.707 8.987 8.280 0.000 0.000 0.478 405 R N 0.508 121.291 120.500 0.472 0.000 2.764 405 R HA 0.716 3.999 4.340 -1.761 0.000 0.270 405 R C -1.737 174.464 176.300 -0.165 0.000 1.014 405 R CA -1.265 54.950 56.100 0.192 0.000 0.904 405 R CB 2.200 32.525 30.300 0.042 0.000 1.236 405 R HN 0.716 8.986 8.270 0.000 0.000 0.466 406 R N 1.366 121.454 120.500 -0.687 0.000 2.437 406 R HA 0.216 3.499 4.340 -1.761 0.000 0.310 406 R C -1.028 175.010 176.300 -0.436 0.000 0.955 406 R CA -0.527 55.082 56.100 -0.818 0.000 0.851 406 R CB 1.756 31.142 30.300 -1.524 0.000 1.161 406 R HN 0.756 9.026 8.270 0.000 0.000 0.446 407 E N 3.093 123.123 120.200 -0.283 0.000 2.217 407 E HA 0.177 3.471 4.350 -1.761 0.000 0.279 407 E C -0.929 175.560 176.600 -0.185 0.000 1.068 407 E CA -0.167 56.119 56.400 -0.191 0.000 0.882 407 E CB 1.506 31.127 29.700 -0.131 0.000 1.039 407 E HN 0.225 8.585 8.360 0.000 0.000 0.418 408 V N 3.960 123.774 119.914 -0.167 0.000 2.623 408 V HA 0.273 3.336 4.120 -1.761 0.000 0.304 408 V C -0.605 175.424 176.094 -0.109 0.000 1.054 408 V CA -0.811 61.405 62.300 -0.141 0.000 0.882 408 V CB 2.023 33.755 31.823 -0.153 0.000 1.002 408 V HN 0.639 8.829 8.190 0.000 0.000 0.424 409 E N 2.948 123.096 120.200 -0.087 0.000 2.256 409 E HA 0.617 3.910 4.350 -1.761 0.000 0.268 409 E C -1.226 175.343 176.600 -0.051 0.000 0.877 409 E CA -0.627 55.731 56.400 -0.070 0.000 0.757 409 E CB 2.763 32.424 29.700 -0.064 0.000 1.183 409 E HN 0.678 9.038 8.360 0.000 0.000 0.418 410 E N 1.932 122.108 120.200 -0.040 0.000 2.199 410 E HA 0.257 3.550 4.350 -1.761 0.000 0.265 410 E C -0.929 175.666 176.600 -0.007 0.000 0.882 410 E CA -0.737 55.649 56.400 -0.025 0.000 0.759 410 E CB 1.151 30.835 29.700 -0.026 0.000 1.148 410 E HN 0.527 8.887 8.360 0.000 0.000 0.412 411 N N 2.103 120.804 118.700 0.002 0.000 2.727 411 N HA -0.282 3.401 4.740 -1.761 0.000 0.249 411 N C 0.642 176.172 175.510 0.033 0.000 1.048 411 N CA 0.632 53.693 53.050 0.018 0.000 0.714 411 N CB -0.910 37.590 38.487 0.022 0.000 0.959 411 N HN 0.952 9.332 8.380 0.000 0.000 0.544 412 G N -2.065 106.751 108.800 0.026 0.000 2.199 412 G HA2 -0.297 2.607 3.960 -1.761 0.000 0.254 412 G HA3 -0.297 2.607 3.960 -1.761 0.000 0.254 412 G C 0.049 174.957 174.900 0.014 0.000 0.982 412 G CA 0.367 45.495 45.100 0.046 0.000 0.632 412 G HN 0.393 8.683 8.290 0.000 0.000 0.529 413 I N 1.427 121.990 120.570 -0.012 0.000 2.392 413 I HA 0.447 3.561 4.170 -1.761 0.000 0.295 413 I C 0.837 176.901 176.117 -0.088 0.000 0.985 413 I CA -1.321 59.947 61.300 -0.054 0.000 1.221 413 I CB 1.513 39.502 38.000 -0.018 0.000 1.366 413 I HN -0.123 8.087 8.210 0.000 0.000 0.467 414 V N 7.543 127.373 119.914 -0.140 0.000 2.455 414 V HA 0.149 3.213 4.120 -1.761 0.000 0.273 414 V C 1.074 177.102 176.094 -0.109 0.000 1.045 414 V CA 0.069 62.285 62.300 -0.140 0.000 0.976 414 V CB 1.058 32.766 31.823 -0.192 0.000 0.993 414 V HN 0.560 8.750 8.190 0.000 0.000 0.475 415 L N 2.239 123.405 121.223 -0.094 0.000 2.858 415 L HA 0.300 3.584 4.340 -1.761 0.000 0.251 415 L C 0.203 177.023 176.870 -0.084 0.000 1.149 415 L CA -0.343 54.453 54.840 -0.074 0.000 0.955 415 L CB 0.225 42.247 42.059 -0.063 0.000 1.289 415 L HN 0.542 8.772 8.230 0.000 0.000 0.542 416 D N 2.965 123.299 120.400 -0.110 0.000 5.802 416 D HA -0.096 3.487 4.640 -1.761 0.000 0.186 416 D C -2.126 174.101 176.300 -0.122 0.000 1.265 416 D CA 0.263 54.180 54.000 -0.140 0.000 0.778 416 D CB -0.151 40.580 40.800 -0.115 0.000 1.376 416 D HN 0.054 8.424 8.370 0.000 0.000 0.788 417 P HA 0.052 4.472 4.420 0.000 0.000 0.264 417 P C -0.163 177.131 177.300 -0.010 0.000 1.183 417 P CA -0.130 62.921 63.100 -0.082 0.000 0.763 417 P CB 0.548 32.167 31.700 -0.134 0.000 0.807 418 L N 3.173 124.450 121.223 0.091 0.000 2.362 418 L HA 0.642 3.926 4.340 -1.761 0.000 0.271 418 L C -0.482 176.519 176.870 0.218 0.000 1.002 418 L CA -0.613 54.304 54.840 0.129 0.000 0.818 418 L CB 1.715 43.649 42.059 -0.208 0.000 1.298 418 L HN 0.181 8.411 8.230 0.000 0.000 0.420 419 K N 4.067 124.655 120.400 0.314 0.000 2.482 419 K HA 0.846 4.110 4.320 -1.761 0.000 0.251 419 K C -1.813 174.928 176.600 0.235 0.000 0.936 419 K CA -0.472 55.900 56.287 0.142 0.000 0.791 419 K CB 1.964 34.373 32.500 -0.151 0.000 1.213 419 K HN 0.705 8.955 8.250 0.000 0.000 0.428 420 A N 1.972 124.924 122.820 0.219 0.000 2.374 420 A HA 0.723 3.987 4.320 -1.761 0.000 0.317 420 A C -0.777 176.912 177.584 0.176 0.000 1.094 420 A CA -0.662 51.502 52.037 0.212 0.000 0.765 420 A CB 1.502 20.618 19.000 0.192 0.000 1.268 420 A HN 0.763 8.913 8.150 0.000 0.000 0.438 421 T N -0.853 113.791 114.554 0.151 0.000 2.907 421 T HA 0.785 4.079 4.350 -1.761 0.000 0.292 421 T C -0.808 173.962 174.700 0.117 0.000 1.043 421 T CA -0.521 61.657 62.100 0.129 0.000 1.003 421 T CB 1.611 70.555 68.868 0.127 0.000 1.084 421 T HN 0.890 9.130 8.240 0.000 0.000 0.483 422 H N -0.088 118.992 119.070 0.018 0.000 3.014 422 H HA 0.738 4.233 4.556 -1.768 0.000 0.337 422 H C -1.742 173.578 175.328 -0.014 0.000 1.320 422 H CA -0.357 55.683 56.048 -0.013 0.000 1.128 422 H CB 1.884 31.619 29.762 -0.045 0.000 1.862 422 H HN 1.143 9.423 8.280 0.000 0.000 0.536 423 A N 2.194 125.102 122.820 0.146 0.000 2.402 423 A HA 0.600 3.864 4.320 -1.761 0.000 0.291 423 A C -1.568 175.877 177.584 -0.233 0.000 1.051 423 A CA -0.450 51.562 52.037 -0.042 0.000 0.716 423 A CB 1.050 20.068 19.000 0.030 0.000 1.223 423 A HN 0.287 8.437 8.150 0.000 0.000 0.425 424 V N 3.366 123.127 119.914 -0.255 0.000 2.443 424 V HA 0.296 3.360 4.120 -1.761 0.000 0.293 424 V C 0.013 176.001 176.094 -0.177 0.000 1.021 424 V CA -0.710 61.411 62.300 -0.298 0.000 0.848 424 V CB 1.561 33.160 31.823 -0.374 0.000 0.998 424 V HN 0.913 9.103 8.190 0.000 0.000 0.424 425 K N 2.677 122.992 120.400 -0.143 0.000 2.326 425 K HA 0.500 3.763 4.320 -1.761 0.000 0.275 425 K C 1.213 177.742 176.600 -0.119 0.000 1.018 425 K CA 0.751 56.977 56.287 -0.103 0.000 0.962 425 K CB 0.687 33.139 32.500 -0.079 0.000 0.953 425 K HN 1.093 9.343 8.250 0.000 0.000 0.475 426 G N 0.128 108.867 108.800 -0.101 0.000 2.176 426 G HA2 -0.237 2.667 3.960 -1.761 0.000 0.253 426 G HA3 -0.237 2.667 3.960 -1.761 0.000 0.253 426 G C -0.097 174.714 174.900 -0.147 0.000 0.979 426 G CA 0.198 45.230 45.100 -0.113 0.000 0.641 426 G HN 0.620 8.910 8.290 0.000 0.000 0.530 427 V N -2.148 117.673 119.914 -0.154 0.000 3.040 427 V HA 0.981 4.044 4.120 -1.761 0.000 0.312 427 V C 0.227 176.236 176.094 -0.142 0.000 1.115 427 V CA 0.152 62.347 62.300 -0.176 0.000 0.998 427 V CB 1.709 33.409 31.823 -0.205 0.000 1.042 427 V HN 1.244 9.434 8.190 0.000 0.000 0.433 428 T N -0.599 113.862 114.554 -0.155 0.000 2.936 428 T HA 0.622 3.915 4.350 -1.761 0.000 0.282 428 T C 1.233 175.906 174.700 -0.044 0.000 1.003 428 T CA 0.080 62.124 62.100 -0.094 0.000 1.005 428 T CB 1.298 70.072 68.868 -0.156 0.000 1.097 428 T HN 1.409 9.649 8.240 0.000 0.000 0.532 429 G N -1.042 107.780 108.800 0.036 0.000 2.408 429 G HA2 -0.185 2.718 3.960 -1.761 0.000 0.217 429 G HA3 -0.185 2.718 3.960 -1.761 0.000 0.217 429 G C 1.291 176.154 174.900 -0.061 0.000 1.150 429 G CA 0.859 46.007 45.100 0.079 0.000 0.776 429 G HN 1.029 9.319 8.290 0.000 0.000 0.542 430 H N 0.263 119.037 119.070 -0.493 0.000 2.353 430 H HA -0.030 3.468 4.556 -1.763 0.000 0.300 430 H C 2.545 177.548 175.328 -0.542 0.000 1.090 430 H CA 1.389 56.772 56.048 -1.108 0.000 1.327 430 H CB 0.239 29.393 29.762 -1.013 0.000 1.383 430 H HN 0.451 8.731 8.280 0.000 0.000 0.508 431 E N -0.183 119.900 120.200 -0.196 0.000 2.047 431 E HA -0.138 3.155 4.350 -1.761 0.000 0.191 431 E C 2.437 179.122 176.600 0.141 0.000 0.987 431 E CA 1.190 57.546 56.400 -0.073 0.000 0.799 431 E CB 0.134 29.795 29.700 -0.066 0.000 0.752 431 E HN 0.253 8.613 8.360 0.000 0.000 0.449 432 V N 1.025 120.986 119.914 0.078 0.000 2.287 432 V HA -0.338 2.726 4.120 -1.761 0.000 0.248 432 V C 2.460 178.780 176.094 0.377 0.000 1.053 432 V CA 1.688 64.095 62.300 0.178 0.000 1.027 432 V CB -0.506 31.370 31.823 0.087 0.000 0.646 432 V HN 0.479 8.669 8.190 0.000 0.000 0.447 433 C N -0.119 119.339 119.300 0.264 0.000 2.429 433 C HA -0.152 3.251 4.460 -1.761 0.000 0.277 433 C C 2.605 177.832 174.990 0.396 0.000 1.262 433 C CA 1.308 60.540 59.018 0.356 0.000 1.733 433 C CB -1.703 26.230 27.740 0.321 0.000 2.010 433 C HN 0.648 8.878 8.230 0.000 0.000 0.483 434 N N -0.600 118.229 118.700 0.215 0.000 2.061 434 N HA -0.202 3.482 4.740 -1.761 0.000 0.193 434 N C 1.524 177.209 175.510 0.291 0.000 1.030 434 N CA 1.680 54.841 53.050 0.186 0.000 0.856 434 N CB -0.282 38.145 38.487 -0.099 0.000 1.023 434 N HN 0.604 8.984 8.380 0.000 0.000 0.424 435 Y N -0.404 120.107 120.300 0.352 0.000 2.314 435 Y HA -0.141 3.350 4.550 -1.766 0.000 0.293 435 Y C 2.045 178.348 175.900 0.671 0.000 1.129 435 Y CA 0.766 59.146 58.100 0.466 0.000 1.201 435 Y CB -0.208 38.461 38.460 0.349 0.000 0.999 435 Y HN 0.083 8.363 8.280 0.000 0.000 0.541 436 F N -1.142 119.172 119.950 0.608 0.000 2.186 436 F HA -0.231 3.232 4.527 -1.773 0.000 0.299 436 F C 1.977 178.024 175.800 0.411 0.000 1.090 436 F CA 1.336 59.485 58.000 0.250 0.000 1.307 436 F CB -0.599 38.442 39.000 0.068 0.000 1.019 436 F HN 0.192 8.492 8.300 0.000 0.000 0.489 437 W N 1.034 122.469 121.300 0.225 0.000 2.576 437 W HA 0.070 3.664 4.660 -1.776 0.000 0.275 437 W C 0.725 177.280 176.519 0.060 0.000 1.241 437 W CA 0.495 57.883 57.345 0.072 0.000 1.328 437 W CB -0.479 29.072 29.460 0.152 0.000 1.092 437 W HN -0.143 8.037 8.180 0.000 0.000 0.586 438 N N 1.104 119.946 118.700 0.238 0.000 2.427 438 N HA -0.057 3.627 4.740 -1.761 0.000 0.269 438 N C 1.194 176.657 175.510 -0.079 0.000 1.235 438 N CA 0.812 53.878 53.050 0.027 0.000 0.934 438 N CB 1.182 39.758 38.487 0.150 0.000 1.121 438 N HN 0.137 8.517 8.380 0.000 0.000 0.480 439 V N 0.580 120.334 119.914 -0.267 0.000 2.759 439 V HA -0.121 2.942 4.120 -1.761 0.000 0.256 439 V C 1.154 177.272 176.094 0.040 0.000 1.080 439 V CA 1.456 63.659 62.300 -0.161 0.000 1.101 439 V CB -0.401 31.359 31.823 -0.104 0.000 0.698 439 V HN 0.445 8.635 8.190 0.000 0.000 0.477 440 D N 1.410 121.831 120.400 0.034 0.000 2.311 440 D HA -0.096 3.488 4.640 -1.761 0.000 0.212 440 D C 1.845 178.217 176.300 0.120 0.000 0.972 440 D CA 1.950 55.995 54.000 0.075 0.000 0.887 440 D CB 0.128 40.963 40.800 0.059 0.000 0.915 440 D HN 0.716 9.086 8.370 0.000 0.000 0.497 441 V N -2.239 117.776 119.914 0.168 0.000 3.432 441 V HA 0.306 3.369 4.120 -1.761 0.000 0.298 441 V C 1.870 178.023 176.094 0.100 0.000 1.464 441 V CA -0.337 62.113 62.300 0.249 0.000 1.046 441 V CB 0.563 32.704 31.823 0.530 0.000 0.887 441 V HN -0.190 8.000 8.190 0.000 0.000 0.441 442 R N 2.693 123.151 120.500 -0.070 0.000 2.096 442 R HA -0.159 3.124 4.340 -1.761 0.000 0.240 442 R C 1.664 177.540 176.300 -0.707 0.000 1.139 442 R CA 2.859 58.630 56.100 -0.549 0.000 0.952 442 R CB -1.191 28.736 30.300 -0.622 0.000 0.854 442 R HN 0.712 8.982 8.270 0.000 0.000 0.436 443 N N -0.210 118.326 118.700 -0.272 0.000 2.512 443 N HA -0.080 3.603 4.740 -1.761 0.000 0.183 443 N C 0.474 175.861 175.510 -0.204 0.000 1.073 443 N CA 0.740 53.663 53.050 -0.210 0.000 0.911 443 N CB 0.053 38.506 38.487 -0.057 0.000 0.964 443 N HN 0.286 8.666 8.380 0.000 0.000 0.447 444 D N -0.282 119.993 120.400 -0.208 0.000 2.224 444 D HA -0.100 3.483 4.640 -1.761 0.000 0.205 444 D C 1.444 177.614 176.300 -0.216 0.000 0.965 444 D CA 0.754 54.654 54.000 -0.166 0.000 0.852 444 D CB 0.013 40.736 40.800 -0.129 0.000 0.947 444 D HN 0.605 8.975 8.370 0.000 0.000 0.494 445 W N 0.185 121.309 121.300 -0.292 0.000 2.942 445 W HA 0.269 3.863 4.660 -1.778 0.000 0.260 445 W C 0.223 176.751 176.519 0.016 0.000 1.101 445 W CA -0.436 56.808 57.345 -0.170 0.000 1.436 445 W CB -0.129 29.230 29.460 -0.167 0.000 0.883 445 W HN -0.239 7.941 8.180 0.000 0.000 0.646 446 E N 2.898 122.792 120.200 -0.511 0.000 2.316 446 E HA 0.150 3.443 4.350 -1.761 0.000 0.275 446 E C 0.881 177.374 176.600 -0.178 0.000 1.029 446 E CA 0.993 57.129 56.400 -0.440 0.000 0.871 446 E CB 1.545 30.654 29.700 -0.985 0.000 1.022 446 E HN 0.120 8.480 8.360 0.000 0.000 0.418 447 T N -0.812 113.716 114.554 -0.044 0.000 3.003 447 T HA 0.018 3.311 4.350 -1.761 0.000 0.261 447 T C 1.143 175.821 174.700 -0.036 0.000 1.003 447 T CA 0.388 62.476 62.100 -0.021 0.000 0.917 447 T CB -0.151 68.744 68.868 0.045 0.000 1.084 447 T HN 0.433 8.673 8.240 0.000 0.000 0.522 448 T N -0.011 114.512 114.554 -0.053 0.000 3.105 448 T HA 0.422 3.716 4.350 -1.761 0.000 0.253 448 T C 0.363 174.999 174.700 -0.106 0.000 1.047 448 T CA -0.514 61.579 62.100 -0.013 0.000 0.944 448 T CB -0.294 68.627 68.868 0.088 0.000 1.016 448 T HN 0.194 8.434 8.240 0.000 0.000 0.544 449 I N 2.552 122.992 120.570 -0.218 0.000 2.331 449 I HA 0.364 3.478 4.170 -1.761 0.000 0.292 449 I C 1.269 177.276 176.117 -0.183 0.000 0.998 449 I CA -0.565 60.542 61.300 -0.322 0.000 1.267 449 I CB 1.443 39.257 38.000 -0.310 0.000 1.386 449 I HN 0.339 8.549 8.210 0.000 0.000 0.476 450 E N 6.004 126.100 120.200 -0.173 0.000 2.042 450 E HA -0.061 3.233 4.350 -1.761 0.000 0.189 450 E C 0.389 176.941 176.600 -0.079 0.000 0.974 450 E CA 0.685 57.024 56.400 -0.101 0.000 0.806 450 E CB 0.531 30.183 29.700 -0.079 0.000 0.769 450 E HN 0.724 9.084 8.360 0.000 0.000 0.451 451 N N -1.132 117.525 118.700 -0.071 0.000 2.591 451 N HA 0.204 3.888 4.740 -1.761 0.000 0.263 451 N C -1.697 173.832 175.510 0.033 0.000 1.308 451 N CA -0.395 52.631 53.050 -0.040 0.000 0.837 451 N CB 1.825 40.297 38.487 -0.025 0.000 1.548 451 N HN 0.057 8.437 8.380 0.000 0.000 0.493 452 F N -0.282 119.619 119.950 -0.081 0.000 2.678 452 F HA 0.632 4.111 4.527 -1.748 0.000 0.308 452 F C -1.552 174.259 175.800 0.018 0.000 1.118 452 F CA -0.738 57.203 58.000 -0.098 0.000 0.959 452 F CB 0.746 39.615 39.000 -0.218 0.000 1.305 452 F HN 0.695 8.995 8.300 0.000 0.000 0.443 453 H N -0.461 118.609 119.070 -0.001 0.000 3.008 453 H HA 0.765 4.266 4.556 -1.757 0.000 0.354 453 H C -2.026 173.314 175.328 0.020 0.000 1.252 453 H CA -1.505 54.466 56.048 -0.128 0.000 1.117 453 H CB 1.433 31.099 29.762 -0.160 0.000 1.857 453 H HN 0.596 8.876 8.280 0.000 0.000 0.547 454 V N 2.893 122.811 119.914 0.007 0.000 2.427 454 V HA 0.009 3.072 4.120 -1.761 0.000 0.268 454 V C 0.966 177.022 176.094 -0.063 0.000 1.046 454 V CA -0.235 62.007 62.300 -0.096 0.000 0.970 454 V CB 0.808 32.585 31.823 -0.076 0.000 1.001 454 V HN 0.800 8.990 8.190 0.000 0.000 0.476 455 V N 3.608 123.391 119.914 -0.217 0.000 2.407 455 V HA 0.051 3.115 4.120 -1.761 0.000 0.245 455 V C 0.834 176.809 176.094 -0.197 0.000 1.041 455 V CA 1.415 63.575 62.300 -0.233 0.000 1.040 455 V CB -0.115 31.424 31.823 -0.473 0.000 0.671 455 V HN 0.978 9.168 8.190 0.000 0.000 0.455 456 E N -1.343 118.756 120.200 -0.169 0.000 2.363 456 E HA 0.282 3.576 4.350 -1.761 0.000 0.281 456 E C -1.431 175.141 176.600 -0.047 0.000 0.953 456 E CA -0.424 55.939 56.400 -0.061 0.000 0.778 456 E CB 2.078 31.791 29.700 0.022 0.000 1.220 456 E HN 0.149 8.509 8.360 0.000 0.000 0.431 457 T N 4.409 118.962 114.554 -0.001 0.000 2.744 457 T HA 0.302 3.596 4.350 -1.761 0.000 0.291 457 T C 1.031 175.752 174.700 0.036 0.000 0.957 457 T CA -0.284 61.826 62.100 0.016 0.000 1.002 457 T CB 0.686 69.576 68.868 0.037 0.000 0.919 457 T HN 0.421 8.661 8.240 0.000 0.000 0.468 458 L N 1.871 123.095 121.223 0.003 0.000 2.253 458 L HA 0.513 3.796 4.340 -1.761 0.000 0.205 458 L C 1.159 178.059 176.870 0.051 0.000 1.078 458 L CA 0.213 55.028 54.840 -0.042 0.000 0.805 458 L CB -0.015 41.838 42.059 -0.343 0.000 0.963 458 L HN 0.698 8.928 8.230 0.000 0.000 0.459 459 A N -1.459 121.414 122.820 0.088 0.000 2.564 459 A HA 0.288 3.552 4.320 -1.761 0.000 0.291 459 A C -0.591 177.093 177.584 0.167 0.000 1.102 459 A CA -0.510 51.622 52.037 0.160 0.000 0.660 459 A CB 0.322 19.466 19.000 0.240 0.000 1.283 459 A HN -0.032 8.118 8.150 0.000 0.000 0.430 460 D N 0.934 121.425 120.400 0.151 0.000 2.228 460 D HA -0.148 3.435 4.640 -1.761 0.000 0.203 460 D C 1.015 177.411 176.300 0.159 0.000 0.988 460 D CA 2.191 56.285 54.000 0.156 0.000 0.864 460 D CB 0.043 40.908 40.800 0.108 0.000 0.928 460 D HN 0.612 8.982 8.370 0.000 0.000 0.469 461 N N -0.602 118.155 118.700 0.095 0.000 2.197 461 N HA 0.243 3.926 4.740 -1.761 0.000 0.228 461 N C -0.707 174.862 175.510 0.099 0.000 1.212 461 N CA -0.278 52.695 53.050 -0.129 0.000 0.883 461 N CB 0.746 39.134 38.487 -0.165 0.000 1.107 461 N HN -0.031 8.349 8.380 0.000 0.000 0.519 462 A N 0.934 123.941 122.820 0.311 0.000 2.437 462 A HA 0.687 3.951 4.320 -1.761 0.000 0.293 462 A C -0.732 176.944 177.584 0.154 0.000 1.038 462 A CA -0.853 51.332 52.037 0.248 0.000 0.708 462 A CB 0.900 19.940 19.000 0.065 0.000 1.251 462 A HN 0.359 8.509 8.150 0.000 0.000 0.409 463 I N -0.873 119.756 120.570 0.099 0.000 3.074 463 I HA 0.762 3.875 4.170 -1.761 0.000 0.310 463 I C -1.163 174.821 176.117 -0.222 0.000 1.153 463 I CA -1.344 59.910 61.300 -0.077 0.000 0.993 463 I CB 2.211 40.122 38.000 -0.149 0.000 1.237 463 I HN 0.445 8.655 8.210 0.000 0.000 0.443 464 I N 3.893 124.308 120.570 -0.258 0.000 2.378 464 I HA 0.474 3.587 4.170 -1.761 0.000 0.291 464 I C -0.625 175.234 176.117 -0.430 0.000 0.992 464 I CA -0.508 60.577 61.300 -0.359 0.000 1.154 464 I CB 1.842 39.686 38.000 -0.260 0.000 1.315 464 I HN 0.391 8.601 8.210 0.000 0.000 0.448 465 I N 6.202 126.382 120.570 -0.651 0.000 2.433 465 I HA 0.288 3.401 4.170 -1.761 0.000 0.292 465 I C -1.029 174.754 176.117 -0.557 0.000 1.001 465 I CA -0.857 60.034 61.300 -0.682 0.000 1.119 465 I CB 1.863 39.261 38.000 -1.002 0.000 1.289 465 I HN 0.462 8.672 8.210 0.000 0.000 0.438 466 Y N 6.943 126.925 120.300 -0.531 0.000 2.360 466 Y HA 0.492 3.989 4.550 -1.755 0.000 0.337 466 Y C -0.555 175.229 175.900 -0.193 0.000 1.039 466 Y CA -0.323 57.562 58.100 -0.357 0.000 1.109 466 Y CB 1.117 39.316 38.460 -0.435 0.000 1.201 466 Y HN 0.584 8.864 8.280 0.000 0.000 0.458 467 Q N 3.118 122.466 119.800 -0.754 0.000 2.418 467 Q HA 0.573 3.856 4.340 -1.761 0.000 0.282 467 Q C -1.687 173.944 176.000 -0.615 0.000 1.044 467 Q CA -1.063 54.438 55.803 -0.504 0.000 0.813 467 Q CB 2.185 30.790 28.738 -0.223 0.000 1.428 467 Q HN 0.678 8.948 8.270 0.000 0.000 0.402 468 T N -1.091 113.242 114.554 -0.369 0.000 2.855 468 T HA 0.476 3.769 4.350 -1.761 0.000 0.281 468 T C -0.416 174.135 174.700 -0.249 0.000 1.007 468 T CA -0.633 61.336 62.100 -0.219 0.000 1.009 468 T CB 1.185 70.008 68.868 -0.075 0.000 0.983 468 T HN 0.558 8.798 8.240 0.000 0.000 0.455 469 H N 1.275 120.262 119.070 -0.138 0.000 2.502 469 H HA 0.378 3.877 4.556 -1.762 0.000 0.338 469 H C 0.311 175.562 175.328 -0.129 0.000 1.155 469 H CA -0.742 55.225 56.048 -0.134 0.000 1.237 469 H CB 1.535 31.210 29.762 -0.145 0.000 1.534 469 H HN 0.585 8.865 8.280 0.000 0.000 0.523 470 K N 1.578 121.965 120.400 -0.021 0.000 2.336 470 K HA 0.050 3.314 4.320 -1.761 0.000 0.262 470 K C 0.204 176.755 176.600 -0.082 0.000 0.992 470 K CA 0.026 56.283 56.287 -0.049 0.000 0.927 470 K CB 0.632 33.107 32.500 -0.041 0.000 0.956 470 K HN 0.364 8.614 8.250 0.000 0.000 0.495 471 R N 1.723 122.149 120.500 -0.124 0.000 2.357 471 R HA -0.005 3.278 4.340 -1.761 0.000 0.330 471 R C 0.974 177.177 176.300 -0.162 0.000 1.102 471 R CA -0.223 55.743 56.100 -0.224 0.000 0.974 471 R CB -0.083 30.084 30.300 -0.222 0.000 1.002 471 R HN 0.460 8.730 8.270 0.000 0.000 0.463 472 V N -0.338 119.481 119.914 -0.159 0.000 3.623 472 V HA 0.149 3.212 4.120 -1.761 0.000 0.271 472 V C 0.102 176.309 176.094 0.188 0.000 1.248 472 V CA -0.103 62.211 62.300 0.023 0.000 1.156 472 V CB -1.190 30.681 31.823 0.080 0.000 0.870 472 V HN 0.756 8.946 8.190 0.000 0.000 0.453 473 W N -1.167 120.126 121.300 -0.013 0.000 3.047 473 W HA 0.823 4.421 4.660 -1.770 0.000 0.341 473 W C -3.163 173.360 176.519 0.006 0.000 1.225 473 W CA -2.395 54.947 57.345 -0.006 0.000 1.150 473 W CB 0.405 29.856 29.460 -0.016 0.000 1.470 473 W HN -0.272 7.908 8.180 0.000 0.000 0.578 474 P HA 0.473 4.893 4.420 0.000 0.000 0.277 474 P C -0.538 176.778 177.300 0.026 0.000 1.354 474 P CA 0.521 63.645 63.100 0.041 0.000 0.891 474 P CB 0.587 32.347 31.700 0.099 0.000 1.058 475 A N 2.067 124.767 122.820 -0.200 0.000 2.428 475 A HA 0.542 3.806 4.320 -1.761 0.000 0.304 475 A C -0.509 176.945 177.584 -0.216 0.000 1.085 475 A CA -0.594 51.367 52.037 -0.127 0.000 0.605 475 A CB 0.016 19.027 19.000 0.019 0.000 1.393 475 A HN 0.216 8.366 8.150 0.000 0.000 0.541 476 S N 0.498 116.129 115.700 -0.115 0.000 2.558 476 S HA 0.238 3.652 4.470 -1.761 0.000 0.287 476 S C 0.371 174.845 174.600 -0.210 0.000 1.321 476 S CA 0.152 58.288 58.200 -0.107 0.000 1.048 476 S CB 0.285 63.470 63.200 -0.024 0.000 0.844 476 S HN 0.686 8.996 8.310 0.000 0.000 0.512 477 Q N 0.859 120.569 119.800 -0.149 0.000 2.392 477 Q HA 0.170 3.453 4.340 -1.761 0.000 0.262 477 Q C -0.505 175.426 176.000 -0.115 0.000 1.003 477 Q CA -0.041 55.670 55.803 -0.153 0.000 0.888 477 Q CB 0.441 29.132 28.738 -0.077 0.000 1.260 477 Q HN 0.323 8.593 8.270 0.000 0.000 0.435 478 R N 2.004 122.432 120.500 -0.119 0.000 2.474 478 R HA 0.289 3.572 4.340 -1.761 0.000 0.295 478 R C -1.113 175.191 176.300 0.007 0.000 0.980 478 R CA -0.454 55.615 56.100 -0.052 0.000 0.934 478 R CB 0.991 31.237 30.300 -0.090 0.000 1.101 478 R HN 0.700 8.970 8.270 0.000 0.000 0.469 479 D N 0.169 120.579 120.400 0.017 0.000 2.414 479 D HA 0.597 4.180 4.640 -1.761 0.000 0.241 479 D C -0.968 175.321 176.300 -0.017 0.000 1.008 479 D CA -0.845 53.131 54.000 -0.041 0.000 1.001 479 D CB 1.416 42.166 40.800 -0.084 0.000 1.277 479 D HN 0.187 8.557 8.370 0.000 0.000 0.538 480 V N -0.296 119.557 119.914 -0.102 0.000 3.087 480 V HA 0.624 3.687 4.120 -1.761 0.000 0.306 480 V C -2.131 173.994 176.094 0.051 0.000 1.187 480 V CA -0.858 61.464 62.300 0.037 0.000 0.999 480 V CB 2.037 33.911 31.823 0.086 0.000 1.049 480 V HN 0.636 8.826 8.190 0.000 0.000 0.431 481 L N 7.381 128.702 121.223 0.164 0.000 2.446 481 L HA 0.803 4.087 4.340 -1.761 0.000 0.268 481 L C -1.430 175.513 176.870 0.121 0.000 0.975 481 L CA -0.196 54.717 54.840 0.122 0.000 0.848 481 L CB 1.504 43.669 42.059 0.177 0.000 1.225 481 L HN 0.747 8.977 8.230 0.000 0.000 0.410 482 Y N 2.985 123.204 120.300 -0.135 0.000 2.534 482 Y HA 0.628 4.144 4.550 -1.723 0.000 0.345 482 Y C -1.448 174.243 175.900 -0.349 0.000 1.031 482 Y CA -1.523 56.446 58.100 -0.219 0.000 1.022 482 Y CB 1.227 39.584 38.460 -0.172 0.000 1.292 482 Y HN 0.577 8.857 8.280 0.000 0.000 0.459 483 L N 3.038 123.955 121.223 -0.510 0.000 2.331 483 L HA 0.542 3.826 4.340 -1.761 0.000 0.278 483 L C -0.194 176.425 176.870 -0.418 0.000 1.106 483 L CA -0.130 54.320 54.840 -0.650 0.000 0.824 483 L CB 1.123 42.547 42.059 -1.058 0.000 1.142 483 L HN 0.842 9.072 8.230 0.000 0.000 0.443 484 S N 4.543 120.132 115.700 -0.184 0.000 2.596 484 S HA 0.592 4.005 4.470 -1.761 0.000 0.318 484 S C -1.152 173.672 174.600 0.373 0.000 1.097 484 S CA -0.555 57.714 58.200 0.116 0.000 1.080 484 S CB 1.457 64.698 63.200 0.069 0.000 0.991 484 S HN 0.545 8.855 8.310 0.000 0.000 0.471 485 V N 6.732 126.859 119.914 0.356 0.000 2.789 485 V HA 0.713 3.776 4.120 -1.761 0.000 0.311 485 V C -1.038 175.111 176.094 0.091 0.000 1.073 485 V CA -0.882 61.569 62.300 0.253 0.000 0.921 485 V CB 1.865 33.816 31.823 0.214 0.000 1.009 485 V HN 0.928 9.118 8.190 0.000 0.000 0.426 486 I N 6.751 127.171 120.570 -0.250 0.000 2.433 486 I HA 0.713 3.826 4.170 -1.761 0.000 0.292 486 I C -0.650 175.423 176.117 -0.074 0.000 1.001 486 I CA -0.523 60.656 61.300 -0.201 0.000 1.119 486 I CB 0.939 38.621 38.000 -0.530 0.000 1.289 486 I HN 0.659 8.869 8.210 0.000 0.000 0.438 487 R N 5.876 126.385 120.500 0.015 0.000 2.725 487 R HA 0.411 3.694 4.340 -1.761 0.000 0.277 487 R C -1.407 174.677 176.300 -0.361 0.000 0.987 487 R CA -1.055 54.972 56.100 -0.121 0.000 0.901 487 R CB 2.457 32.719 30.300 -0.064 0.000 1.207 487 R HN 0.548 8.818 8.270 0.000 0.000 0.463 488 K N 2.662 122.625 120.400 -0.728 0.000 2.185 488 K HA 0.362 3.625 4.320 -1.761 0.000 0.269 488 K C -0.452 175.821 176.600 -0.546 0.000 0.987 488 K CA -0.582 55.032 56.287 -1.122 0.000 0.865 488 K CB 0.826 32.366 32.500 -1.599 0.000 1.090 488 K HN 0.352 8.602 8.250 0.000 0.000 0.450 489 I N 7.150 127.474 120.570 -0.410 0.000 2.312 489 I HA 0.256 3.370 4.170 -1.761 0.000 0.290 489 I C -1.955 174.040 176.117 -0.204 0.000 1.008 489 I CA -2.882 58.282 61.300 -0.227 0.000 1.226 489 I CB 0.692 38.612 38.000 -0.133 0.000 1.371 489 I HN 0.567 8.777 8.210 0.000 0.000 0.468 490 P HA 0.146 4.566 4.420 0.000 0.000 0.269 490 P C -0.491 176.758 177.300 -0.086 0.000 1.215 490 P CA -0.363 62.660 63.100 -0.129 0.000 0.780 490 P CB 1.045 32.685 31.700 -0.099 0.000 0.898 491 A N 2.678 125.461 122.820 -0.062 0.000 2.327 491 A HA 0.367 3.630 4.320 -1.761 0.000 0.283 491 A C 0.922 178.485 177.584 -0.035 0.000 1.127 491 A CA -0.501 51.513 52.037 -0.039 0.000 0.810 491 A CB -0.222 18.766 19.000 -0.021 0.000 1.066 491 A HN 0.609 8.759 8.150 0.000 0.000 0.492 492 L N 1.628 122.833 121.223 -0.031 0.000 2.766 492 L HA 0.155 3.439 4.340 -1.761 0.000 0.242 492 L C 0.791 177.647 176.870 -0.022 0.000 1.136 492 L CA 0.351 55.174 54.840 -0.028 0.000 0.933 492 L CB 0.080 42.121 42.059 -0.030 0.000 1.241 492 L HN 0.900 9.130 8.230 0.000 0.000 0.522 493 T N -4.579 109.963 114.554 -0.019 0.000 2.942 493 T HA 0.217 3.511 4.350 -1.761 0.000 0.289 493 T C 0.864 175.556 174.700 -0.013 0.000 1.044 493 T CA -0.645 61.445 62.100 -0.016 0.000 1.023 493 T CB 1.958 70.818 68.868 -0.014 0.000 1.123 493 T HN 0.250 8.490 8.240 0.000 0.000 0.512 494 E N 0.698 120.891 120.200 -0.012 0.000 2.216 494 E HA -0.055 3.239 4.350 -1.761 0.000 0.192 494 E C 1.053 177.648 176.600 -0.009 0.000 0.988 494 E CA 0.872 57.265 56.400 -0.012 0.000 0.834 494 E CB -0.204 29.489 29.700 -0.012 0.000 0.772 494 E HN 0.719 9.079 8.360 0.000 0.000 0.479 495 N N 0.097 118.793 118.700 -0.006 0.000 2.159 495 N HA 0.060 3.744 4.740 -1.761 0.000 0.217 495 N C -0.974 174.538 175.510 0.004 0.000 1.223 495 N CA -0.333 52.716 53.050 -0.002 0.000 0.896 495 N CB 0.846 39.331 38.487 -0.003 0.000 1.064 495 N HN 0.045 8.425 8.380 0.000 0.000 0.518 496 D N 1.841 122.242 120.400 0.002 0.000 2.210 496 D HA 0.199 3.783 4.640 -1.761 0.000 0.249 496 D C -2.257 174.051 176.300 0.014 0.000 1.062 496 D CA -1.215 52.789 54.000 0.007 0.000 0.891 496 D CB 1.316 42.116 40.800 -0.001 0.000 1.186 496 D HN 0.070 8.440 8.370 0.000 0.000 0.432 497 P HA 0.089 4.508 4.420 0.000 0.000 0.271 497 P C -0.169 177.154 177.300 0.039 0.000 1.218 497 P CA -0.104 63.025 63.100 0.049 0.000 0.780 497 P CB 1.119 32.859 31.700 0.066 0.000 0.901 498 E N 0.323 120.553 120.200 0.050 0.000 2.404 498 E HA 0.188 3.481 4.350 -1.761 0.000 0.261 498 E C -0.159 176.461 176.600 0.032 0.000 1.074 498 E CA 0.205 56.607 56.400 0.004 0.000 0.917 498 E CB 0.387 30.082 29.700 -0.008 0.000 0.965 498 E HN 0.378 8.738 8.360 0.000 0.000 0.433 499 T N 1.896 116.421 114.554 -0.048 0.000 2.797 499 T HA 0.297 3.591 4.350 -1.761 0.000 0.279 499 T C -1.132 173.524 174.700 -0.073 0.000 0.991 499 T CA -0.591 61.514 62.100 0.008 0.000 0.979 499 T CB 0.390 69.257 68.868 -0.002 0.000 0.943 499 T HN 0.303 8.543 8.240 0.000 0.000 0.444 500 W N 2.877 124.183 121.300 0.011 0.000 2.520 500 W HA 0.744 4.341 4.660 -1.771 0.000 0.323 500 W C -0.197 176.343 176.519 0.036 0.000 1.062 500 W CA -0.728 56.621 57.345 0.006 0.000 1.215 500 W CB 0.976 30.446 29.460 0.017 0.000 1.340 500 W HN 0.463 8.643 8.180 0.000 0.000 0.516 501 I N 3.165 123.881 120.570 0.243 0.000 2.619 501 I HA 0.570 3.683 4.170 -1.761 0.000 0.292 501 I C -1.469 174.786 176.117 0.229 0.000 1.100 501 I CA -1.014 60.398 61.300 0.186 0.000 1.043 501 I CB 1.555 39.615 38.000 0.099 0.000 1.239 501 I HN 0.037 8.247 8.210 0.000 0.000 0.420 502 V N 6.889 126.965 119.914 0.269 0.000 2.409 502 V HA 0.353 3.416 4.120 -1.761 0.000 0.291 502 V C -0.520 175.755 176.094 0.301 0.000 1.020 502 V CA -0.537 61.974 62.300 0.352 0.000 0.848 502 V CB 1.384 33.577 31.823 0.617 0.000 0.990 502 V HN 0.818 9.008 8.190 0.000 0.000 0.430 503 C N 5.424 124.895 119.300 0.284 0.000 2.351 503 C HA 0.551 3.954 4.460 -1.761 0.000 0.326 503 C C 0.108 175.283 174.990 0.309 0.000 1.272 503 C CA -0.562 58.623 59.018 0.279 0.000 1.650 503 C CB 0.065 28.021 27.740 0.360 0.000 2.257 503 C HN 0.980 9.210 8.230 0.000 0.000 0.505 504 N N 4.567 123.424 118.700 0.261 0.000 2.479 504 N HA 0.665 4.348 4.740 -1.761 0.000 0.261 504 N C -1.307 174.317 175.510 0.191 0.000 0.979 504 N CA -0.340 52.808 53.050 0.163 0.000 0.930 504 N CB 1.022 39.500 38.487 -0.013 0.000 1.172 504 N HN 0.651 9.031 8.380 0.000 0.000 0.499 505 F N -0.785 119.258 119.950 0.155 0.000 2.578 505 F HA 0.581 4.040 4.527 -1.780 0.000 0.311 505 F C -0.124 175.746 175.800 0.115 0.000 1.094 505 F CA -1.165 56.900 58.000 0.110 0.000 0.923 505 F CB 0.823 39.888 39.000 0.108 0.000 1.230 505 F HN 0.056 8.356 8.300 0.000 0.000 0.450 506 S N 1.800 117.674 115.700 0.290 0.000 2.560 506 S HA 0.529 3.943 4.470 -1.761 0.000 0.284 506 S C -0.074 174.654 174.600 0.213 0.000 1.327 506 S CA -0.261 58.060 58.200 0.203 0.000 1.055 506 S CB 0.918 64.220 63.200 0.171 0.000 0.868 506 S HN 0.926 9.236 8.310 0.000 0.000 0.506 507 V N 0.029 120.006 119.914 0.104 0.000 3.130 507 V HA 0.684 3.747 4.120 -1.761 0.000 0.310 507 V C -1.031 175.160 176.094 0.162 0.000 1.158 507 V CA -1.249 61.123 62.300 0.120 0.000 1.029 507 V CB 1.950 33.686 31.823 -0.145 0.000 1.057 507 V HN 0.550 8.740 8.190 0.000 0.000 0.436 508 D N 1.170 121.707 120.400 0.228 0.000 2.294 508 D HA 0.592 4.176 4.640 -1.761 0.000 0.250 508 D C -0.669 175.789 176.300 0.263 0.000 1.058 508 D CA 0.284 54.409 54.000 0.208 0.000 0.950 508 D CB 0.739 41.642 40.800 0.172 0.000 1.158 508 D HN 0.843 9.213 8.370 0.000 0.000 0.453 509 H N 0.798 119.934 119.070 0.110 0.000 3.087 509 H HA 0.079 3.578 4.556 -1.761 0.000 0.348 509 H C -0.332 175.030 175.328 0.057 0.000 1.092 509 H CA -0.372 55.732 56.048 0.093 0.000 1.285 509 H CB 1.639 31.441 29.762 0.067 0.000 1.875 509 H HN 0.204 8.484 8.280 0.000 0.000 0.512 510 D N 2.058 122.446 120.400 -0.020 0.000 2.263 510 D HA -0.090 3.494 4.640 -1.761 0.000 0.208 510 D C 1.367 177.750 176.300 0.139 0.000 0.971 510 D CA 1.023 55.048 54.000 0.042 0.000 0.867 510 D CB 0.333 41.111 40.800 -0.036 0.000 0.929 510 D HN 0.331 8.701 8.370 0.000 0.000 0.492 511 S N -0.399 115.520 115.700 0.365 0.000 2.522 511 S HA 0.113 3.527 4.470 -1.761 0.000 0.227 511 S C 1.142 175.771 174.600 0.049 0.000 0.986 511 S CA 0.430 58.752 58.200 0.204 0.000 0.929 511 S CB 0.404 63.727 63.200 0.205 0.000 0.769 511 S HN 0.302 8.612 8.310 0.000 0.000 0.529 512 A N 2.386 125.245 122.820 0.064 0.000 3.317 512 A HA 0.474 3.737 4.320 -1.761 0.000 0.307 512 A C -2.695 174.905 177.584 0.027 0.000 1.003 512 A CA -1.302 50.697 52.037 -0.064 0.000 0.882 512 A CB 0.350 19.285 19.000 -0.107 0.000 1.136 512 A HN 0.148 8.298 8.150 0.000 0.000 0.488 513 P HA 0.246 4.666 4.420 0.000 0.000 0.273 513 P C 0.087 177.420 177.300 0.056 0.000 1.250 513 P CA -0.181 62.947 63.100 0.047 0.000 0.793 513 P CB 0.686 32.404 31.700 0.031 0.000 1.011 514 L N 1.292 122.556 121.223 0.068 0.000 2.485 514 L HA 0.048 3.331 4.340 -1.761 0.000 0.275 514 L C 1.183 178.088 176.870 0.058 0.000 1.207 514 L CA 0.311 55.197 54.840 0.076 0.000 0.855 514 L CB -0.577 41.525 42.059 0.072 0.000 1.114 514 L HN 0.591 8.821 8.230 0.000 0.000 0.485 515 N N 0.058 118.798 118.700 0.067 0.000 2.701 515 N HA 0.282 3.966 4.740 -1.761 0.000 0.290 515 N C -0.212 175.329 175.510 0.051 0.000 1.338 515 N CA -0.946 52.134 53.050 0.050 0.000 0.799 515 N CB 0.505 39.019 38.487 0.046 0.000 1.491 515 N HN 0.466 8.846 8.380 0.000 0.000 0.540 516 N N -1.054 117.669 118.700 0.039 0.000 2.270 516 N HA 0.135 3.819 4.740 -1.761 0.000 0.198 516 N C 0.544 176.074 175.510 0.033 0.000 1.117 516 N CA 0.102 53.173 53.050 0.035 0.000 0.845 516 N CB 0.199 38.702 38.487 0.026 0.000 0.980 516 N HN 0.490 8.870 8.380 0.000 0.000 0.486 517 R N -0.641 119.882 120.500 0.039 0.000 2.105 517 R HA 0.289 3.572 4.340 -1.761 0.000 0.214 517 R C -0.151 176.169 176.300 0.034 0.000 1.091 517 R CA 0.619 56.739 56.100 0.034 0.000 1.007 517 R CB 0.171 30.495 30.300 0.040 0.000 0.912 517 R HN 0.180 8.450 8.270 0.000 0.000 0.450 518 C N 0.508 119.840 119.300 0.053 0.000 2.614 518 C HA 0.502 3.905 4.460 -1.761 0.000 0.320 518 C C 0.120 175.144 174.990 0.057 0.000 1.200 518 C CA -1.094 57.952 59.018 0.047 0.000 1.700 518 C CB 2.103 29.884 27.740 0.069 0.000 2.275 518 C HN 0.031 8.261 8.230 0.000 0.000 0.492 519 V N 2.498 122.438 119.914 0.044 0.000 2.530 519 V HA 0.296 3.360 4.120 -1.761 0.000 0.282 519 V C 0.402 176.537 176.094 0.069 0.000 1.048 519 V CA -0.102 62.237 62.300 0.065 0.000 0.997 519 V CB 0.772 32.640 31.823 0.076 0.000 0.987 519 V HN 0.782 8.972 8.190 0.000 0.000 0.477 520 R N 4.513 125.063 120.500 0.084 0.000 2.248 520 R HA 0.521 3.804 4.340 -1.761 0.000 0.337 520 R C 0.128 176.475 176.300 0.079 0.000 1.085 520 R CA 0.258 56.413 56.100 0.090 0.000 0.934 520 R CB 0.147 30.511 30.300 0.107 0.000 1.034 520 R HN 0.876 9.146 8.270 0.000 0.000 0.465 521 A N 4.068 126.925 122.820 0.061 0.000 2.313 521 A HA 0.491 3.754 4.320 -1.761 0.000 0.261 521 A C -0.561 177.058 177.584 0.058 0.000 1.090 521 A CA -0.370 51.698 52.037 0.051 0.000 0.807 521 A CB 0.500 19.508 19.000 0.013 0.000 1.055 521 A HN 0.582 8.732 8.150 0.000 0.000 0.492 522 K N 0.682 121.115 120.400 0.055 0.000 2.324 522 K HA 0.605 3.868 4.320 -1.761 0.000 0.253 522 K C -0.847 175.786 176.600 0.055 0.000 0.932 522 K CA -0.158 56.171 56.287 0.069 0.000 0.799 522 K CB 1.669 34.214 32.500 0.074 0.000 1.154 522 K HN 0.762 9.012 8.250 0.000 0.000 0.425 523 I N -0.864 119.745 120.570 0.065 0.000 2.828 523 I HA 0.595 3.709 4.170 -1.761 0.000 0.302 523 I C -0.943 175.240 176.117 0.109 0.000 1.101 523 I CA -0.834 60.495 61.300 0.049 0.000 1.031 523 I CB 2.560 40.540 38.000 -0.033 0.000 1.231 523 I HN 0.323 8.533 8.210 0.000 0.000 0.427 524 N N 4.095 122.860 118.700 0.108 0.000 2.581 524 N HA 0.570 4.253 4.740 -1.761 0.000 0.279 524 N C -2.128 173.467 175.510 0.142 0.000 1.124 524 N CA -0.303 52.856 53.050 0.181 0.000 0.833 524 N CB 1.854 40.434 38.487 0.155 0.000 1.338 524 N HN 0.609 8.989 8.380 0.000 0.000 0.533 525 V N 1.206 121.184 119.914 0.106 0.000 2.876 525 V HA 0.989 4.052 4.120 -1.761 0.000 0.312 525 V C -0.538 175.481 176.094 -0.125 0.000 1.085 525 V CA -0.799 61.468 62.300 -0.056 0.000 0.945 525 V CB 1.606 33.407 31.823 -0.036 0.000 1.017 525 V HN 0.821 9.011 8.190 0.000 0.000 0.428 526 A N 4.531 127.148 122.820 -0.338 0.000 2.486 526 A HA 0.884 4.148 4.320 -1.761 0.000 0.300 526 A C -1.068 176.387 177.584 -0.214 0.000 1.048 526 A CA -0.528 51.323 52.037 -0.310 0.000 0.696 526 A CB 1.930 20.478 19.000 -0.754 0.000 1.278 526 A HN 0.870 9.020 8.150 0.000 0.000 0.405 527 M N 3.137 122.723 119.600 -0.023 0.000 2.167 527 M HA 0.645 4.068 4.480 -1.761 0.000 0.333 527 M C -1.825 174.505 176.300 0.050 0.000 1.030 527 M CA -0.512 54.777 55.300 -0.018 0.000 0.963 527 M CB 0.617 33.072 32.600 -0.242 0.000 1.589 527 M HN 0.602 8.892 8.290 0.000 0.000 0.431 528 I N 4.631 125.232 120.570 0.053 0.000 2.389 528 I HA 0.428 3.541 4.170 -1.761 0.000 0.288 528 I C -1.148 175.030 176.117 0.101 0.000 0.999 528 I CA -0.638 60.710 61.300 0.080 0.000 1.129 528 I CB 1.573 39.603 38.000 0.050 0.000 1.288 528 I HN 0.666 8.876 8.210 0.000 0.000 0.444 529 C N 4.812 124.200 119.300 0.147 0.000 2.498 529 C HA 0.575 3.979 4.460 -1.761 0.000 0.316 529 C C -0.270 174.817 174.990 0.163 0.000 1.209 529 C CA -0.632 58.472 59.018 0.143 0.000 1.518 529 C CB 1.722 29.557 27.740 0.158 0.000 2.147 529 C HN 0.687 8.917 8.230 0.000 0.000 0.483 530 Q N 0.704 120.575 119.800 0.118 0.000 2.375 530 Q HA 0.557 3.841 4.340 -1.761 0.000 0.271 530 Q C -0.968 175.095 176.000 0.105 0.000 1.074 530 Q CA -0.299 55.577 55.803 0.121 0.000 0.808 530 Q CB 2.464 31.250 28.738 0.081 0.000 1.327 530 Q HN 0.709 8.979 8.270 0.000 0.000 0.441 531 T N 2.473 117.104 114.554 0.130 0.000 2.767 531 T HA 0.460 3.754 4.350 -1.761 0.000 0.284 531 T C -0.340 174.421 174.700 0.102 0.000 0.973 531 T CA -0.534 61.635 62.100 0.115 0.000 0.996 531 T CB 0.328 69.297 68.868 0.169 0.000 0.927 531 T HN 0.280 8.520 8.240 0.000 0.000 0.456 532 L N 3.677 124.944 121.223 0.073 0.000 2.282 532 L HA 0.627 3.911 4.340 -1.761 0.000 0.288 532 L C -0.462 176.451 176.870 0.072 0.000 1.033 532 L CA -1.008 53.869 54.840 0.061 0.000 0.807 532 L CB 1.322 43.403 42.059 0.038 0.000 1.209 532 L HN 0.336 8.566 8.230 0.000 0.000 0.423 533 V N 1.594 121.553 119.914 0.075 0.000 2.495 533 V HA 0.420 3.483 4.120 -1.761 0.000 0.298 533 V C -0.107 176.016 176.094 0.049 0.000 1.031 533 V CA -0.596 61.754 62.300 0.084 0.000 0.871 533 V CB 1.900 33.786 31.823 0.106 0.000 0.988 533 V HN 0.839 9.029 8.190 0.000 0.000 0.432 534 S N 4.776 120.502 115.700 0.043 0.000 2.498 534 S HA 0.584 3.997 4.470 -1.761 0.000 0.324 534 S C -2.734 171.882 174.600 0.025 0.000 1.071 534 S CA -1.592 56.624 58.200 0.026 0.000 1.113 534 S CB 1.140 64.352 63.200 0.019 0.000 0.976 534 S HN 0.546 8.856 8.310 0.000 0.000 0.462 535 P HA 0.150 4.570 4.420 0.000 0.000 0.267 535 P C -2.103 175.205 177.300 0.013 0.000 1.195 535 P CA -0.507 62.600 63.100 0.011 0.000 0.773 535 P CB -0.269 31.432 31.700 0.000 0.000 0.837 536 P HA 0.249 4.669 4.420 0.000 0.000 0.310 536 P C -0.549 176.755 177.300 0.007 0.000 1.309 536 P CA -0.284 62.824 63.100 0.013 0.000 0.769 536 P CB 0.086 31.796 31.700 0.017 0.000 1.327 537 E N -0.602 119.602 120.200 0.006 0.000 2.417 537 E HA 0.410 3.704 4.350 -1.761 0.000 0.261 537 E C 1.050 177.652 176.600 0.003 0.000 1.000 537 E CA 0.204 56.606 56.400 0.004 0.000 0.919 537 E CB -1.320 28.382 29.700 0.003 0.000 0.955 537 E HN 0.828 9.188 8.360 0.000 0.000 0.455 538 G N 2.552 111.354 108.800 0.002 0.000 2.583 538 G HA2 -0.331 2.573 3.960 -1.761 0.000 0.292 538 G HA3 -0.331 2.573 3.960 -1.761 0.000 0.292 538 G C 0.711 175.612 174.900 0.001 0.000 1.203 538 G CA 0.364 45.465 45.100 0.001 0.000 0.987 538 G HN 0.857 9.147 8.290 0.000 0.000 0.554 539 N N 1.785 120.486 118.700 0.001 0.000 2.251 539 N HA 0.159 3.843 4.740 -1.761 0.000 0.217 539 N C 0.771 176.283 175.510 0.003 0.000 1.124 539 N CA 0.358 53.409 53.050 0.001 0.000 0.843 539 N CB 0.466 38.953 38.487 0.001 0.000 1.024 539 N HN 0.622 9.002 8.380 0.000 0.000 0.501 540 Q N 0.456 120.259 119.800 0.005 0.000 2.394 540 Q HA 0.132 3.415 4.340 -1.761 0.000 0.248 540 Q C -0.051 175.957 176.000 0.012 0.000 0.992 540 Q CA 0.148 55.956 55.803 0.009 0.000 0.888 540 Q CB 1.147 29.890 28.738 0.009 0.000 1.257 540 Q HN 0.188 8.458 8.270 0.000 0.000 0.462 541 E N 0.807 121.017 120.200 0.018 0.000 2.371 541 E HA 0.129 3.422 4.350 -1.761 0.000 0.257 541 E C -0.271 176.354 176.600 0.041 0.000 1.134 541 E CA -0.508 55.908 56.400 0.026 0.000 0.919 541 E CB 0.651 30.370 29.700 0.032 0.000 1.025 541 E HN 0.365 8.725 8.360 0.000 0.000 0.438 542 I N 2.434 123.041 120.570 0.062 0.000 2.683 542 I HA -0.064 3.049 4.170 -1.761 0.000 0.286 542 I C 0.709 176.891 176.117 0.108 0.000 1.175 542 I CA 0.748 62.107 61.300 0.099 0.000 1.429 542 I CB -0.294 37.806 38.000 0.167 0.000 1.371 542 I HN 0.486 8.696 8.210 0.000 0.000 0.569 543 S N 6.881 122.625 115.700 0.073 0.000 2.759 543 S HA 0.505 3.919 4.470 -1.761 0.000 0.310 543 S C 0.822 175.437 174.600 0.024 0.000 1.123 543 S CA -0.885 57.340 58.200 0.042 0.000 0.959 543 S CB 1.870 65.080 63.200 0.017 0.000 1.172 543 S HN 0.562 8.872 8.310 0.000 0.000 0.539 544 R N 0.110 120.599 120.500 -0.017 0.000 2.280 544 R HA 0.010 3.293 4.340 -1.761 0.000 0.207 544 R C 0.381 176.662 176.300 -0.032 0.000 1.043 544 R CA 1.303 57.375 56.100 -0.047 0.000 1.006 544 R CB -0.552 29.700 30.300 -0.079 0.000 0.885 544 R HN 0.699 8.969 8.270 0.000 0.000 0.467 545 D N 0.006 120.397 120.400 -0.016 0.000 2.348 545 D HA -0.070 3.514 4.640 -1.761 0.000 0.216 545 D C 0.684 176.983 176.300 -0.001 0.000 0.970 545 D CA 0.672 54.664 54.000 -0.013 0.000 0.889 545 D CB 0.080 40.874 40.800 -0.010 0.000 0.912 545 D HN 0.127 8.497 8.370 0.000 0.000 0.524 546 N N 0.608 119.318 118.700 0.016 0.000 2.235 546 N HA 0.156 3.840 4.740 -1.761 0.000 0.209 546 N C 0.048 175.585 175.510 0.045 0.000 1.122 546 N CA 0.052 53.121 53.050 0.033 0.000 0.845 546 N CB 0.965 39.483 38.487 0.051 0.000 1.004 546 N HN 0.405 8.785 8.380 0.000 0.000 0.499 547 I N -2.487 118.098 120.570 0.025 0.000 2.730 547 I HA 0.630 3.743 4.170 -1.761 0.000 0.298 547 I C -1.417 174.695 176.117 -0.008 0.000 1.089 547 I CA -1.246 60.072 61.300 0.029 0.000 1.041 547 I CB 2.354 40.369 38.000 0.025 0.000 1.235 547 I HN -0.314 7.896 8.210 0.000 0.000 0.423 548 L N 6.021 127.243 121.223 -0.001 0.000 2.464 548 L HA 0.584 3.867 4.340 -1.761 0.000 0.266 548 L C -1.345 175.514 176.870 -0.017 0.000 0.965 548 L CA -0.178 54.647 54.840 -0.024 0.000 0.833 548 L CB 1.720 43.771 42.059 -0.013 0.000 1.296 548 L HN 0.967 9.197 8.230 0.000 0.000 0.405 549 C N 4.960 124.231 119.300 -0.048 0.000 2.273 549 C HA 0.542 3.945 4.460 -1.761 0.000 0.328 549 C C 0.024 174.997 174.990 -0.029 0.000 1.275 549 C CA -0.658 58.342 59.018 -0.031 0.000 1.704 549 C CB -0.303 27.401 27.740 -0.060 0.000 2.326 549 C HN 0.855 9.085 8.230 0.000 0.000 0.517 550 K N 5.998 126.404 120.400 0.010 0.000 2.248 550 K HA 0.593 3.857 4.320 -1.761 0.000 0.281 550 K C -0.726 175.898 176.600 0.039 0.000 1.054 550 K CA 0.144 56.444 56.287 0.023 0.000 0.903 550 K CB 0.941 33.461 32.500 0.032 0.000 1.077 550 K HN 0.650 8.900 8.250 0.000 0.000 0.474 551 I N 1.897 122.497 120.570 0.049 0.000 2.474 551 I HA 0.232 3.346 4.170 -1.761 0.000 0.294 551 I C -0.322 175.849 176.117 0.089 0.000 1.005 551 I CA -0.640 60.700 61.300 0.067 0.000 1.113 551 I CB 2.340 40.377 38.000 0.062 0.000 1.289 551 I HN 0.467 8.677 8.210 0.000 0.000 0.436 552 T N 5.043 119.648 114.554 0.084 0.000 2.809 552 T HA 0.351 3.645 4.350 -1.761 0.000 0.284 552 T C -1.305 173.463 174.700 0.114 0.000 0.992 552 T CA -0.406 61.743 62.100 0.082 0.000 0.957 552 T CB 0.731 69.620 68.868 0.035 0.000 0.942 552 T HN 0.345 8.585 8.240 0.000 0.000 0.439 553 Y N 4.690 124.993 120.300 0.004 0.000 2.341 553 Y HA 0.624 5.221 4.550 0.077 0.000 0.338 553 Y C -0.721 175.191 175.900 0.020 0.000 0.965 553 Y CA -0.977 57.122 58.100 -0.002 0.000 1.108 553 Y CB 0.980 39.457 38.460 0.029 0.000 1.180 553 Y HN 0.479 8.759 8.280 0.000 0.000 0.458 554 V N 2.754 122.362 119.914 -0.510 0.000 2.588 554 V HA 1.006 4.070 4.120 -1.761 0.000 0.304 554 V C -0.824 174.982 176.094 -0.479 0.000 1.042 554 V CA -0.723 61.395 62.300 -0.304 0.000 0.877 554 V CB 1.093 32.890 31.823 -0.042 0.000 0.996 554 V HN 1.088 9.278 8.190 0.000 0.000 0.425 555 A N 3.793 126.438 122.820 -0.292 0.000 2.353 555 A HA 0.759 4.022 4.320 -1.761 0.000 0.299 555 A C -0.642 176.918 177.584 -0.041 0.000 1.089 555 A CA -0.666 51.263 52.037 -0.180 0.000 0.736 555 A CB 1.031 19.952 19.000 -0.131 0.000 1.195 555 A HN 0.853 9.003 8.150 0.000 0.000 0.447 556 N N 1.812 120.520 118.700 0.014 0.000 2.479 556 N HA 0.486 4.170 4.740 -1.761 0.000 0.261 556 N C -1.412 174.120 175.510 0.037 0.000 0.979 556 N CA -0.175 52.890 53.050 0.025 0.000 0.930 556 N CB 2.230 40.737 38.487 0.033 0.000 1.172 556 N HN 0.329 8.709 8.380 0.000 0.000 0.499 557 V N 2.391 122.328 119.914 0.039 0.000 2.588 557 V HA 0.293 3.356 4.120 -1.761 0.000 0.304 557 V C -0.155 175.955 176.094 0.026 0.000 1.042 557 V CA -0.918 61.410 62.300 0.046 0.000 0.877 557 V CB 2.147 34.021 31.823 0.086 0.000 0.996 557 V HN 0.557 8.747 8.190 0.000 0.000 0.425 558 N N 5.973 124.689 118.700 0.027 0.000 2.501 558 N HA 0.410 4.093 4.740 -1.761 0.000 0.245 558 N C -2.031 173.502 175.510 0.038 0.000 0.974 558 N CA -2.122 50.941 53.050 0.021 0.000 0.941 558 N CB 2.256 40.759 38.487 0.026 0.000 1.122 558 N HN 0.242 8.622 8.380 0.000 0.000 0.507 559 P HA 0.125 4.545 4.420 0.000 0.000 0.233 559 P C 0.361 177.733 177.300 0.120 0.000 1.167 559 P CA 0.482 63.645 63.100 0.104 0.000 0.770 559 P CB -0.086 31.697 31.700 0.138 0.000 0.837 560 G N -1.169 107.681 108.800 0.084 0.000 2.855 560 G HA2 0.166 3.069 3.960 -1.761 0.000 0.352 560 G HA3 0.166 3.069 3.960 -1.761 0.000 0.352 560 G C 0.415 175.394 174.900 0.133 0.000 1.415 560 G CA -0.257 44.901 45.100 0.097 0.000 0.871 560 G HN 0.582 8.871 8.290 0.000 0.000 0.543 561 G N -0.890 107.997 108.800 0.144 0.000 2.582 561 G HA2 0.088 2.992 3.960 -1.761 0.000 0.288 561 G HA3 0.088 2.992 3.960 -1.761 0.000 0.288 561 G C 0.156 175.213 174.900 0.261 0.000 1.247 561 G CA 1.453 46.672 45.100 0.197 0.000 0.972 561 G HN 2.386 10.676 8.290 0.000 0.000 0.557 562 W N 0.306 121.667 121.300 0.102 0.000 3.129 562 W HA 0.697 4.305 4.660 -1.754 0.000 0.333 562 W C -0.213 176.368 176.519 0.103 0.000 1.141 562 W CA 0.260 57.649 57.345 0.073 0.000 1.224 562 W CB 1.501 30.992 29.460 0.051 0.000 1.393 562 W HN 1.447 9.627 8.180 0.000 0.000 0.499 563 A N 5.324 127.724 122.820 -0.700 0.000 2.606 563 A HA 0.779 4.042 4.320 -1.761 0.000 0.293 563 A C -2.975 173.809 177.584 -1.333 0.000 1.082 563 A CA -1.448 50.185 52.037 -0.673 0.000 0.685 563 A CB 1.321 20.052 19.000 -0.448 0.000 1.284 563 A HN 0.319 8.469 8.150 0.000 0.000 0.408 564 P HA 0.304 4.724 4.420 0.000 0.000 0.268 564 P C 0.946 177.932 177.300 -0.523 0.000 1.204 564 P CA 0.638 63.376 63.100 -0.603 0.000 0.768 564 P CB 1.022 32.606 31.700 -0.195 0.000 0.842 565 A N 3.512 126.087 122.820 -0.409 0.000 1.883 565 A HA -0.215 3.048 4.320 -1.761 0.000 0.217 565 A C 2.176 179.613 177.584 -0.246 0.000 1.186 565 A CA 2.395 54.245 52.037 -0.311 0.000 0.624 565 A CB -1.663 17.212 19.000 -0.208 0.000 0.822 565 A HN 0.605 8.755 8.150 0.000 0.000 0.444 566 S N -0.625 114.966 115.700 -0.182 0.000 2.419 566 S HA -0.089 3.324 4.470 -1.761 0.000 0.233 566 S C 1.704 176.211 174.600 -0.156 0.000 1.016 566 S CA 1.344 59.465 58.200 -0.132 0.000 0.974 566 S CB -0.735 62.417 63.200 -0.081 0.000 0.786 566 S HN 0.242 8.552 8.310 0.000 0.000 0.492 567 V N 1.985 121.765 119.914 -0.223 0.000 2.323 567 V HA -0.037 3.026 4.120 -1.761 0.000 0.244 567 V C 2.553 178.432 176.094 -0.359 0.000 1.041 567 V CA 1.529 63.676 62.300 -0.255 0.000 1.025 567 V CB -0.777 30.870 31.823 -0.294 0.000 0.656 567 V HN 0.448 8.639 8.190 0.000 0.000 0.451 568 L N -0.420 120.498 121.223 -0.508 0.000 2.012 568 L HA -0.205 3.079 4.340 -1.761 0.000 0.210 568 L C 2.791 179.510 176.870 -0.250 0.000 1.073 568 L CA 1.808 56.334 54.840 -0.523 0.000 0.748 568 L CB -0.574 41.166 42.059 -0.531 0.000 0.891 568 L HN 0.257 8.487 8.230 0.000 0.000 0.431 569 R N -0.332 120.055 120.500 -0.188 0.000 2.115 569 R HA -0.076 3.207 4.340 -1.761 0.000 0.230 569 R C 2.403 178.675 176.300 -0.046 0.000 1.111 569 R CA 1.108 57.153 56.100 -0.093 0.000 0.976 569 R CB -0.402 29.845 30.300 -0.088 0.000 0.870 569 R HN 0.340 8.610 8.270 0.000 0.000 0.445 570 A N 0.763 123.545 122.820 -0.064 0.000 1.898 570 A HA -0.086 3.177 4.320 -1.761 0.000 0.216 570 A C 2.317 179.905 177.584 0.007 0.000 1.181 570 A CA 1.158 53.182 52.037 -0.022 0.000 0.620 570 A CB -0.401 18.583 19.000 -0.027 0.000 0.819 570 A HN 0.098 8.248 8.150 0.000 0.000 0.442 571 V N -0.093 119.815 119.914 -0.011 0.000 2.407 571 V HA -0.235 2.829 4.120 -1.761 0.000 0.248 571 V C 3.031 179.160 176.094 0.057 0.000 1.055 571 V CA 1.831 64.154 62.300 0.039 0.000 1.049 571 V CB -1.219 30.639 31.823 0.057 0.000 0.662 571 V HN 0.612 8.802 8.190 0.000 0.000 0.455 572 A N -0.154 122.718 122.820 0.086 0.000 1.858 572 A HA -0.244 3.019 4.320 -1.761 0.000 0.216 572 A C 2.306 180.062 177.584 0.288 0.000 1.190 572 A CA 2.010 54.208 52.037 0.269 0.000 0.617 572 A CB -0.465 18.701 19.000 0.277 0.000 0.827 572 A HN 0.514 8.664 8.150 0.000 0.000 0.443 573 K N -0.962 119.531 120.400 0.155 0.000 2.147 573 K HA -0.151 3.112 4.320 -1.761 0.000 0.205 573 K C 2.390 179.055 176.600 0.109 0.000 1.049 573 K CA 1.461 57.821 56.287 0.120 0.000 0.936 573 K CB -0.139 32.397 32.500 0.060 0.000 0.722 573 K HN 0.490 8.740 8.250 0.000 0.000 0.446 574 R N 0.959 121.511 120.500 0.088 0.000 2.057 574 R HA -0.101 3.182 4.340 -1.761 0.000 0.229 574 R C 1.846 178.195 176.300 0.082 0.000 1.136 574 R CA 1.282 57.425 56.100 0.072 0.000 0.952 574 R CB 0.160 30.494 30.300 0.056 0.000 0.848 574 R HN 0.042 8.312 8.270 0.000 0.000 0.430 575 E N -0.275 119.960 120.200 0.058 0.000 2.112 575 E HA -0.136 3.157 4.350 -1.761 0.000 0.190 575 E C 1.927 178.559 176.600 0.053 0.000 0.979 575 E CA 0.997 57.401 56.400 0.007 0.000 0.814 575 E CB -0.292 29.340 29.700 -0.114 0.000 0.762 575 E HN 0.397 8.757 8.360 0.000 0.000 0.460 576 Y N 0.968 121.374 120.300 0.176 0.000 2.114 576 Y HA -0.122 3.378 4.550 -1.750 0.000 0.284 576 Y C -0.438 175.570 175.900 0.180 0.000 1.143 576 Y CA 1.605 59.854 58.100 0.249 0.000 1.135 576 Y CB -1.752 36.847 38.460 0.232 0.000 0.980 576 Y HN 0.158 8.438 8.280 0.000 0.000 0.499 577 P HA -0.189 4.231 4.420 0.000 0.000 0.217 577 P C 1.364 178.698 177.300 0.056 0.000 1.150 577 P CA 1.842 64.992 63.100 0.083 0.000 0.832 577 P CB -0.061 31.668 31.700 0.047 0.000 0.787 578 K N -0.546 119.915 120.400 0.102 0.000 2.032 578 K HA -0.195 3.069 4.320 -1.761 0.000 0.209 578 K C 2.114 178.800 176.600 0.144 0.000 1.048 578 K CA 1.516 57.864 56.287 0.101 0.000 0.927 578 K CB -0.668 31.896 32.500 0.106 0.000 0.712 578 K HN 0.003 8.253 8.250 0.000 0.000 0.441 579 F N 1.630 121.625 119.950 0.075 0.000 2.102 579 F HA -0.158 3.281 4.527 -1.813 0.000 0.298 579 F C 1.684 177.551 175.800 0.112 0.000 1.105 579 F CA 1.301 59.374 58.000 0.122 0.000 1.239 579 F CB -0.526 38.526 39.000 0.086 0.000 0.991 579 F HN -0.025 8.275 8.300 0.000 0.000 0.474 580 L N 0.287 121.075 121.223 -0.725 0.000 2.093 580 L HA -0.175 3.108 4.340 -1.761 0.000 0.208 580 L C 2.684 179.368 176.870 -0.310 0.000 1.085 580 L CA 1.769 56.100 54.840 -0.847 0.000 0.755 580 L CB -0.662 41.111 42.059 -0.476 0.000 0.904 580 L HN 0.197 8.427 8.230 0.000 0.000 0.435 581 K N 0.255 120.569 120.400 -0.143 0.000 2.031 581 K HA -0.208 3.055 4.320 -1.761 0.000 0.205 581 K C 2.343 178.929 176.600 -0.024 0.000 1.049 581 K CA 1.189 57.456 56.287 -0.034 0.000 0.939 581 K CB 0.016 32.510 32.500 -0.010 0.000 0.717 581 K HN 0.051 8.301 8.250 0.000 0.000 0.438 582 R N -0.389 120.125 120.500 0.024 0.000 2.066 582 R HA -0.143 3.141 4.340 -1.761 0.000 0.232 582 R C 2.213 178.576 176.300 0.104 0.000 1.131 582 R CA 1.582 57.742 56.100 0.100 0.000 0.955 582 R CB -0.412 30.003 30.300 0.191 0.000 0.851 582 R HN 0.259 8.529 8.270 0.000 0.000 0.432 583 F N 1.616 121.503 119.950 -0.104 0.000 2.113 583 F HA -0.180 3.307 4.527 -1.732 0.000 0.297 583 F C 2.303 177.951 175.800 -0.253 0.000 1.103 583 F CA 2.196 60.029 58.000 -0.279 0.000 1.248 583 F CB -0.821 37.794 39.000 -0.642 0.000 0.999 583 F HN 0.149 8.449 8.300 0.000 0.000 0.475 584 T N -2.592 111.687 114.554 -0.459 0.000 2.788 584 T HA -0.154 3.139 4.350 -1.761 0.000 0.268 584 T C 2.178 176.638 174.700 -0.399 0.000 1.044 584 T CA 1.560 63.350 62.100 -0.517 0.000 1.139 584 T CB -0.984 67.684 68.868 -0.332 0.000 0.867 584 T HN 0.259 8.499 8.240 0.000 0.000 0.454 585 S N 0.584 116.148 115.700 -0.227 0.000 2.383 585 S HA -0.005 3.408 4.470 -1.761 0.000 0.227 585 S C 1.570 176.067 174.600 -0.171 0.000 1.026 585 S CA 0.940 59.046 58.200 -0.157 0.000 0.981 585 S CB -0.618 62.545 63.200 -0.061 0.000 0.818 585 S HN 0.661 8.971 8.310 0.000 0.000 0.472 586 Y N 2.506 122.632 120.300 -0.291 0.000 2.145 586 Y HA -0.180 3.312 4.550 -1.762 0.000 0.286 586 Y C 2.169 177.789 175.900 -0.468 0.000 1.145 586 Y CA 1.276 59.208 58.100 -0.281 0.000 1.148 586 Y CB -0.647 37.707 38.460 -0.177 0.000 0.981 586 Y HN 0.024 8.304 8.280 0.000 0.000 0.507 587 V N 0.844 120.333 119.914 -0.709 0.000 2.295 587 V HA -0.362 2.701 4.120 -1.761 0.000 0.246 587 V C 2.305 178.001 176.094 -0.664 0.000 1.049 587 V CA 2.329 64.064 62.300 -0.941 0.000 1.024 587 V CB -0.859 30.451 31.823 -0.855 0.000 0.648 587 V HN 0.470 8.660 8.190 0.000 0.000 0.447 588 Q N -0.363 119.152 119.800 -0.474 0.000 2.096 588 Q HA -0.264 3.019 4.340 -1.761 0.000 0.204 588 Q C 2.350 178.161 176.000 -0.314 0.000 0.982 588 Q CA 2.008 57.610 55.803 -0.335 0.000 0.850 588 Q CB -0.213 28.371 28.738 -0.257 0.000 0.901 588 Q HN 0.706 8.976 8.270 0.000 0.000 0.422 589 E N 0.256 120.255 120.200 -0.335 0.000 2.077 589 E HA -0.155 3.139 4.350 -1.761 0.000 0.193 589 E C 1.949 178.356 176.600 -0.323 0.000 0.989 589 E CA 0.707 56.939 56.400 -0.280 0.000 0.800 589 E CB 0.107 29.662 29.700 -0.242 0.000 0.746 589 E HN 0.116 8.476 8.360 0.000 0.000 0.452 590 K N 0.107 120.198 120.400 -0.515 0.000 2.288 590 K HA -0.040 3.224 4.320 -1.761 0.000 0.201 590 K C 2.140 178.578 176.600 -0.270 0.000 1.048 590 K CA 1.299 57.318 56.287 -0.446 0.000 0.956 590 K CB -0.120 31.945 32.500 -0.725 0.000 0.746 590 K HN 0.270 8.520 8.250 0.000 0.000 0.461 591 T N -1.902 112.472 114.554 -0.300 0.000 3.044 591 T HA 0.280 3.574 4.350 -1.761 0.000 0.250 591 T C 0.910 175.519 174.700 -0.153 0.000 1.081 591 T CA -0.076 61.912 62.100 -0.187 0.000 1.040 591 T CB 0.069 68.812 68.868 -0.207 0.000 0.962 591 T HN 0.050 8.290 8.240 0.000 0.000 0.506 592 A N 0.929 123.652 122.820 -0.162 0.000 2.546 592 A HA 0.499 3.762 4.320 -1.761 0.000 0.243 592 A C 1.802 179.332 177.584 -0.090 0.000 1.063 592 A CA 0.377 52.340 52.037 -0.122 0.000 0.757 592 A CB -1.156 17.773 19.000 -0.118 0.000 0.991 592 A HN 1.454 9.604 8.150 0.000 0.000 0.503 593 G N 1.947 110.702 108.800 -0.075 0.000 2.234 593 G HA2 -0.260 2.643 3.960 -1.761 0.000 0.260 593 G HA3 -0.260 2.643 3.960 -1.761 0.000 0.260 593 G C 0.391 175.260 174.900 -0.051 0.000 0.987 593 G CA 0.895 45.962 45.100 -0.055 0.000 0.625 593 G HN 0.861 9.151 8.290 0.000 0.000 0.532 594 K N 1.224 121.586 120.400 -0.063 0.000 2.118 594 K HA 0.478 3.742 4.320 -1.761 0.000 0.264 594 K C -2.327 174.237 176.600 -0.061 0.000 1.000 594 K CA -1.823 54.430 56.287 -0.055 0.000 0.929 594 K CB 0.810 33.276 32.500 -0.056 0.000 1.021 594 K HN 0.007 8.257 8.250 0.000 0.000 0.463 595 P HA -0.028 4.392 4.420 0.000 0.000 0.266 595 P C -0.507 176.738 177.300 -0.092 0.000 1.193 595 P CA 0.289 63.365 63.100 -0.040 0.000 0.770 595 P CB 0.327 32.018 31.700 -0.015 0.000 0.836 596 I N 2.643 123.138 120.570 -0.125 0.000 2.416 596 I HA 0.082 3.196 4.170 -1.761 0.000 0.288 596 I C 0.519 176.436 176.117 -0.334 0.000 1.051 596 I CA -0.584 60.515 61.300 -0.335 0.000 1.375 596 I CB 0.479 38.102 38.000 -0.628 0.000 1.407 596 I HN 0.198 8.408 8.210 0.000 0.000 0.516 597 L N 8.529 129.549 121.223 -0.339 0.000 2.268 597 L HA 0.401 3.684 4.340 -1.761 0.000 0.289 597 L C -0.540 176.175 176.870 -0.259 0.000 1.064 597 L CA 0.340 55.022 54.840 -0.264 0.000 0.824 597 L CB -0.275 41.562 42.059 -0.370 0.000 1.202 597 L HN 0.242 8.472 8.230 0.000 0.000 0.433 598 F N 0.000 119.979 119.950 0.048 0.000 2.286 598 F HA 0.000 3.471 4.527 -1.761 0.000 0.279 598 F CA 0.000 58.079 58.000 0.131 0.000 1.383 598 F CB 0.000 39.068 39.000 0.113 0.000 1.145 598 F HN 0.000 8.300 8.300 0.000 0.000 0.574