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 1mo8_1_A DATA FIRST_RESID 383 DATA SEQUENCE QNPMTVAHMW FDNQIHEADT TENQSGVSFD KTSATWFALS RIAGLCNRAV DATA SEQUENCE FQANQENLPI LKRAVAGDAS ESALLKCIEV CCGSVMEMRE KYTKIVEIPF DATA SEQUENCE NSTNKYQLSI HKNPNASEPK HLLVMKGAPE RILDRCSSIL LHGKEQPLDE DATA SEQUENCE ELKDAFQNAY LELGGLGERV LGFCHLLLPD EQFPEGFQFD TDEVNFPVDN DATA SEQUENCE LCFVGLISMI DPP 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 383 Q HA 0.000 4.346 4.340 0.011 0.000 0.214 383 Q C 0.000 176.007 176.000 0.012 0.000 1.003 383 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 383 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 384 N N 1.144 119.849 118.700 0.008 0.000 3.192 384 N HA -0.261 4.480 4.740 0.001 0.000 0.195 384 N C -2.279 173.234 175.510 0.006 0.000 0.856 384 N CA 0.370 53.423 53.050 0.004 0.000 0.926 384 N CB -1.571 36.916 38.487 -0.000 0.000 0.778 384 N HN 0.084 8.468 8.380 0.007 0.000 0.685 385 P HA 0.102 4.528 4.420 0.010 0.000 0.276 385 P C -0.979 176.323 177.300 0.003 0.000 1.244 385 P CA -0.281 62.820 63.100 0.002 0.000 0.801 385 P CB 0.522 32.217 31.700 -0.010 0.000 1.006 386 M N 0.511 120.116 119.600 0.009 0.000 2.727 386 M HA 0.321 4.796 4.480 -0.008 0.000 0.300 386 M C -0.840 175.458 176.300 -0.004 0.000 1.246 386 M CA -0.645 54.656 55.300 0.003 0.000 0.835 386 M CB 3.024 35.633 32.600 0.014 0.000 1.755 386 M HN 0.053 8.355 8.290 0.020 0.000 0.473 387 T N -1.270 113.272 114.554 -0.021 0.000 2.665 387 T HA 0.197 4.542 4.350 -0.008 0.000 0.303 387 T C 0.128 174.798 174.700 -0.049 0.000 1.334 387 T CA -1.123 60.960 62.100 -0.029 0.000 1.011 387 T CB 1.175 70.017 68.868 -0.043 0.000 1.573 387 T HN 0.132 8.357 8.240 -0.026 0.000 0.492 388 V N 2.738 122.616 119.914 -0.060 0.000 2.307 388 V HA -0.327 3.765 4.120 -0.048 0.000 0.245 388 V C 1.805 177.820 176.094 -0.133 0.000 1.045 388 V CA 2.678 64.934 62.300 -0.073 0.000 1.024 388 V CB -0.067 31.707 31.823 -0.082 0.000 0.651 388 V HN 0.593 8.754 8.190 -0.049 0.000 0.449 389 A N -2.498 120.203 122.820 -0.198 0.000 1.271 389 A HA -0.424 3.735 4.320 -0.268 0.000 0.306 389 A C -0.586 176.818 177.584 -0.299 0.000 1.266 389 A CA 2.048 53.870 52.037 -0.358 0.000 1.093 389 A CB -1.449 17.159 19.000 -0.653 0.000 1.471 389 A HN 0.224 8.283 8.150 -0.150 0.000 0.723 390 H N 0.992 120.070 119.070 0.014 0.000 2.488 390 H HA 0.272 4.875 4.556 0.078 0.000 0.322 390 H C -0.453 174.916 175.328 0.069 0.000 1.078 390 H CA -0.633 55.450 56.048 0.058 0.000 1.260 390 H CB 0.285 30.084 29.762 0.062 0.000 1.425 390 H HN -0.075 8.005 8.280 -0.230 0.062 0.471 391 M N 0.545 120.289 119.600 0.240 0.000 2.575 391 M HA 0.566 5.305 4.480 0.226 -0.124 0.284 391 M C -2.734 173.855 176.300 0.482 0.000 1.253 391 M CA -1.030 54.415 55.300 0.241 0.000 0.861 391 M CB 4.281 36.884 32.600 0.005 0.000 1.733 391 M HN 0.023 8.495 8.290 0.303 0.000 0.462 392 W N 2.458 123.918 121.300 0.266 0.000 2.424 392 W HA 0.413 5.184 4.660 0.185 0.000 0.318 392 W C -2.146 174.515 176.519 0.237 0.000 1.016 392 W CA -0.631 56.852 57.345 0.229 0.000 1.268 392 W CB 2.487 32.058 29.460 0.186 0.000 1.297 392 W HN 0.052 8.518 8.180 0.476 0.000 0.428 393 F N 2.642 122.373 119.950 -0.365 0.000 2.801 393 F HA 0.450 4.783 4.527 -0.323 0.000 0.381 393 F C -1.277 174.250 175.800 -0.455 0.000 0.861 393 F CA -0.138 57.639 58.000 -0.373 0.000 1.039 393 F CB 1.961 40.786 39.000 -0.292 0.000 1.041 393 F HN -0.099 7.751 8.300 -0.751 0.000 0.596 394 D N -1.778 117.643 120.400 -1.633 0.000 2.360 394 D HA -0.133 4.154 4.640 -0.588 0.000 0.210 394 D C 0.033 175.915 176.300 -0.696 0.000 1.047 394 D CA -0.371 53.001 54.000 -1.047 0.000 0.854 394 D CB -0.165 39.925 40.800 -1.183 0.000 0.936 394 D HN 0.172 7.342 8.370 -1.999 0.000 0.514 395 N N -4.601 113.478 118.700 -1.034 0.000 2.909 395 N HA -0.333 3.319 4.740 -1.813 0.000 0.242 395 N C -1.301 174.106 175.510 -0.171 0.000 0.975 395 N CA 2.021 54.566 53.050 -0.842 0.000 0.921 395 N CB -1.478 36.809 38.487 -0.334 0.000 1.112 395 N HN 0.354 7.790 8.380 -1.459 0.069 0.581 396 Q N -6.205 113.482 119.800 -0.190 0.000 1.936 396 Q HA 0.227 4.714 4.340 0.245 0.000 0.196 396 Q C -0.081 176.013 176.000 0.156 0.000 0.792 396 Q CA -0.625 55.230 55.803 0.086 0.000 0.972 396 Q CB 1.650 30.396 28.738 0.013 0.000 1.235 396 Q HN -0.114 8.354 8.270 -0.485 -0.488 0.419 397 I N -1.160 119.525 120.570 0.190 0.000 4.753 397 I HA -0.590 3.925 4.170 0.317 -0.155 0.045 397 I C -0.090 176.193 176.117 0.277 0.000 0.629 397 I CA 3.606 65.067 61.300 0.267 0.000 0.624 397 I CB -1.349 36.817 38.000 0.277 0.000 0.598 397 I HN -0.152 8.262 8.210 0.078 -0.157 0.156 398 H N 0.725 119.878 119.070 0.139 0.000 2.514 398 H HA -0.347 4.282 4.556 0.122 0.000 0.318 398 H C -0.719 174.744 175.328 0.224 0.000 0.994 398 H CA 0.653 56.788 56.048 0.147 0.000 1.056 398 H CB -1.356 28.462 29.762 0.094 0.000 1.621 398 H HN -0.167 8.213 8.280 0.250 0.050 0.360 399 E N -1.924 118.310 120.200 0.056 0.000 3.333 399 E HA -0.385 4.039 4.350 0.124 0.000 0.342 399 E C -1.651 175.075 176.600 0.210 0.000 1.501 399 E CA 1.201 57.668 56.400 0.112 0.000 1.770 399 E CB -0.910 28.811 29.700 0.035 0.000 1.817 399 E HN -0.064 8.317 8.360 0.034 0.000 0.485 400 A N -3.103 119.813 122.820 0.159 0.000 4.988 400 A HA -0.177 4.224 4.320 0.135 0.000 0.120 400 A C -2.821 174.723 177.584 -0.067 0.000 1.358 400 A CA 0.048 52.126 52.037 0.068 0.000 1.327 400 A CB -0.487 18.516 19.000 0.005 0.000 0.598 400 A HN 0.259 8.491 8.150 0.137 0.000 0.596 401 D N -2.829 117.541 120.400 -0.050 0.000 2.738 401 D HA 0.064 4.603 4.640 -0.170 0.000 0.237 401 D C -0.815 175.447 176.300 -0.064 0.000 1.123 401 D CA -1.036 52.901 54.000 -0.105 0.000 0.856 401 D CB 1.355 42.087 40.800 -0.114 0.000 1.552 401 D HN -0.625 7.752 8.370 0.012 0.000 0.480 402 T N 1.350 115.845 114.554 -0.098 0.000 2.875 402 T HA 0.170 4.526 4.350 0.010 0.000 0.307 402 T C 0.224 174.908 174.700 -0.028 0.000 1.013 402 T CA -0.635 61.435 62.100 -0.049 0.000 0.970 402 T CB -0.194 68.615 68.868 -0.097 0.000 0.986 402 T HN 0.002 8.155 8.240 -0.146 0.000 0.536 403 T N 4.441 118.994 114.554 -0.003 0.000 2.680 403 T HA -0.193 4.147 4.350 -0.015 0.000 0.314 403 T C 1.480 176.180 174.700 -0.001 0.000 1.045 403 T CA 0.870 62.968 62.100 -0.003 0.000 1.025 403 T CB 1.176 70.048 68.868 0.006 0.000 1.000 403 T HN 0.024 8.271 8.240 0.013 0.000 0.535 404 E N 0.053 120.251 120.200 -0.002 0.000 4.182 404 E HA -0.390 3.958 4.350 -0.002 0.000 0.183 404 E C -0.935 175.659 176.600 -0.010 0.000 1.205 404 E CA 1.961 58.359 56.400 -0.002 0.000 2.410 404 E CB -0.576 29.126 29.700 0.004 0.000 1.780 404 E HN 0.574 8.932 8.360 -0.004 0.000 0.434 405 N N -0.704 117.988 118.700 -0.014 0.000 2.405 405 N HA 0.218 4.943 4.740 -0.025 0.000 0.274 405 N C -2.490 173.001 175.510 -0.033 0.000 1.170 405 N CA -0.374 52.663 53.050 -0.022 0.000 0.848 405 N CB 2.994 41.470 38.487 -0.019 0.000 1.629 405 N HN -0.230 8.115 8.380 -0.011 0.028 0.481 406 Q N 1.985 121.759 119.800 -0.043 0.000 2.359 406 Q HA 0.128 4.425 4.340 -0.072 0.000 0.249 406 Q C -0.446 175.520 176.000 -0.056 0.000 1.181 406 Q CA 0.282 56.049 55.803 -0.060 0.000 0.897 406 Q CB -0.384 28.314 28.738 -0.066 0.000 1.424 406 Q HN 0.279 8.525 8.270 -0.040 0.000 0.478 407 S N 3.230 118.897 115.700 -0.055 0.000 2.671 407 S HA 0.145 4.581 4.470 -0.056 0.000 0.277 407 S C -0.067 174.503 174.600 -0.050 0.000 1.165 407 S CA -0.459 57.713 58.200 -0.048 0.000 0.822 407 S CB 2.321 65.505 63.200 -0.028 0.000 1.150 407 S HN -0.093 8.182 8.310 -0.059 0.000 0.479 408 G N 1.768 110.550 108.800 -0.031 0.000 3.636 408 G HA2 0.291 4.257 3.960 0.011 0.000 0.260 408 G HA3 0.291 4.263 3.960 0.020 0.000 0.260 408 G C 0.331 175.260 174.900 0.048 0.000 1.014 408 G CA -0.594 44.514 45.100 0.013 0.000 1.797 408 G HN 0.302 8.574 8.290 -0.030 0.000 0.637 409 V N -3.479 116.462 119.914 0.045 0.000 2.231 409 V HA -0.314 3.824 4.120 0.030 0.000 0.248 409 V C 0.607 176.742 176.094 0.069 0.000 1.054 409 V CA 2.412 64.740 62.300 0.047 0.000 1.015 409 V CB 0.075 31.923 31.823 0.041 0.000 0.638 409 V HN -0.632 7.525 8.190 0.032 0.052 0.444 410 S N -3.985 111.782 115.700 0.111 0.000 2.817 410 S HA -0.027 4.490 4.470 0.077 0.000 0.262 410 S C -0.709 173.985 174.600 0.157 0.000 1.051 410 S CA -0.414 57.851 58.200 0.108 0.000 1.185 410 S CB 0.836 64.087 63.200 0.084 0.000 1.152 410 S HN -0.287 8.106 8.310 0.138 0.000 0.653 411 F N 3.945 123.910 119.950 0.025 0.000 2.467 411 F HA -0.068 4.486 4.527 0.046 0.000 0.362 411 F C -0.788 175.033 175.800 0.034 0.000 1.090 411 F CA 0.430 58.452 58.000 0.037 0.000 1.202 411 F CB 0.919 39.942 39.000 0.038 0.000 1.113 411 F HN -0.615 7.873 8.300 0.313 0.000 0.541 412 D N 6.948 127.357 120.400 0.015 0.000 2.357 412 D HA -0.018 4.656 4.640 0.056 0.000 0.242 412 D C 0.037 176.418 176.300 0.134 0.000 1.153 412 D CA -0.016 54.005 54.000 0.034 0.000 0.918 412 D CB 1.650 42.426 40.800 -0.041 0.000 1.181 412 D HN -0.051 8.165 8.370 -0.257 0.000 0.435 413 K N -0.377 120.081 120.400 0.097 0.000 1.995 413 K HA -0.205 4.202 4.320 0.145 0.000 0.207 413 K C 0.445 177.113 176.600 0.113 0.000 1.041 413 K CA 1.414 57.757 56.287 0.094 0.000 0.942 413 K CB 0.298 32.803 32.500 0.009 0.000 0.731 413 K HN 0.209 8.494 8.250 0.059 0.000 0.439 414 T N -5.755 108.847 114.554 0.079 0.000 7.714 414 T HA -0.269 4.130 4.350 0.082 0.000 0.312 414 T C -0.666 174.118 174.700 0.141 0.000 1.937 414 T CA 0.869 63.028 62.100 0.098 0.000 2.886 414 T CB -1.814 67.106 68.868 0.086 0.000 2.426 414 T HN -0.433 7.839 8.240 0.054 0.000 1.226 415 S N 1.277 117.055 115.700 0.129 0.000 2.964 415 S HA -0.330 4.302 4.470 0.270 0.000 0.356 415 S C -0.840 173.935 174.600 0.293 0.000 1.118 415 S CA 1.093 59.396 58.200 0.171 0.000 1.581 415 S CB -0.421 62.727 63.200 -0.086 0.000 1.227 415 S HN -0.103 8.169 8.310 0.070 0.081 0.594 416 A N 4.388 127.374 122.820 0.277 0.000 2.007 416 A HA 0.202 4.706 4.320 0.306 0.000 0.200 416 A C 1.032 178.755 177.584 0.231 0.000 2.019 416 A CA 0.881 53.070 52.037 0.255 0.000 1.002 416 A CB 0.747 19.853 19.000 0.177 0.000 1.213 416 A HN -0.364 7.932 8.150 0.243 0.000 0.635 417 T N 2.565 117.209 114.554 0.149 0.000 2.652 417 T HA -0.432 3.947 4.350 0.047 0.000 0.267 417 T C 1.838 176.629 174.700 0.152 0.000 1.039 417 T CA 4.351 66.495 62.100 0.075 0.000 1.153 417 T CB -0.254 68.598 68.868 -0.026 0.000 0.863 417 T HN 0.194 8.510 8.240 0.126 0.000 0.428 418 W N -0.488 120.822 121.300 0.017 0.000 2.325 418 W HA -0.356 4.279 4.660 -0.041 0.000 0.299 418 W C 1.597 178.162 176.519 0.076 0.000 1.215 418 W CA 1.796 59.141 57.345 -0.001 0.000 1.244 418 W CB 0.186 29.628 29.460 -0.030 0.000 1.140 418 W HN -0.128 8.201 8.180 0.249 0.000 0.523 419 F N -2.011 118.095 119.950 0.260 0.000 2.102 419 F HA -0.521 4.069 4.527 0.106 0.000 0.298 419 F C 1.493 177.376 175.800 0.138 0.000 1.105 419 F CA 2.587 60.675 58.000 0.147 0.000 1.239 419 F CB -0.337 38.727 39.000 0.107 0.000 0.991 419 F HN -0.922 7.545 8.300 0.494 0.129 0.474 420 A N 0.018 123.028 122.820 0.316 0.000 1.877 420 A HA -0.301 4.126 4.320 0.178 0.000 0.216 420 A C 1.453 179.108 177.584 0.118 0.000 1.186 420 A CA 2.867 54.988 52.037 0.140 0.000 0.620 420 A CB -0.411 18.529 19.000 -0.099 0.000 0.822 420 A HN -0.377 7.952 8.150 0.298 0.000 0.443 421 L N -3.327 117.976 121.223 0.134 0.000 2.633 421 L HA -0.175 4.175 4.340 0.016 0.000 0.235 421 L C 1.277 178.307 176.870 0.267 0.000 1.163 421 L CA 2.083 56.986 54.840 0.105 0.000 0.859 421 L CB -0.315 41.715 42.059 -0.049 0.000 0.973 421 L HN 0.334 8.546 8.230 0.148 0.107 0.451 422 S N -2.662 113.231 115.700 0.322 0.000 2.564 422 S HA -0.095 4.503 4.470 0.215 0.000 0.231 422 S C 1.408 176.102 174.600 0.157 0.000 1.067 422 S CA 1.026 59.359 58.200 0.222 0.000 0.908 422 S CB 0.318 63.578 63.200 0.101 0.000 0.809 422 S HN -0.235 8.075 8.310 0.331 0.199 0.491 423 R N 2.882 123.496 120.500 0.189 0.000 2.055 423 R HA -0.290 4.133 4.340 0.139 0.000 0.228 423 R C 2.162 178.480 176.300 0.031 0.000 1.143 423 R CA 3.844 60.023 56.100 0.131 0.000 0.945 423 R CB 0.100 30.495 30.300 0.160 0.000 0.841 423 R HN -0.457 7.843 8.270 0.235 0.110 0.429 424 I N -1.559 119.050 120.570 0.065 0.000 2.099 424 I HA -0.456 3.711 4.170 -0.005 0.000 0.239 424 I C 1.483 177.697 176.117 0.162 0.000 1.066 424 I CA 4.291 65.645 61.300 0.089 0.000 1.324 424 I CB -0.309 37.794 38.000 0.171 0.000 1.037 424 I HN 0.087 8.355 8.210 0.097 0.000 0.401 425 A N -2.691 120.218 122.820 0.149 0.000 1.986 425 A HA -0.346 4.017 4.320 0.072 0.000 0.220 425 A C 0.841 178.469 177.584 0.074 0.000 1.171 425 A CA 2.457 54.528 52.037 0.056 0.000 0.640 425 A CB -0.723 18.241 19.000 -0.060 0.000 0.811 425 A HN 0.237 8.455 8.150 0.113 0.000 0.451 426 G N -2.047 106.783 108.800 0.051 0.000 2.547 426 G HA2 -0.157 3.825 3.960 0.037 0.000 0.214 426 G HA3 -0.157 3.818 3.960 0.026 0.000 0.214 426 G C 0.709 175.606 174.900 -0.006 0.000 1.254 426 G CA 1.045 46.162 45.100 0.027 0.000 0.817 426 G HN -0.747 7.441 8.290 0.053 0.134 0.551 427 L N -0.332 120.829 121.223 -0.103 0.000 1.994 427 L HA -0.238 4.027 4.340 -0.125 0.000 0.208 427 L C 2.029 178.842 176.870 -0.095 0.000 1.071 427 L CA 2.719 57.446 54.840 -0.189 0.000 0.745 427 L CB 0.168 41.906 42.059 -0.535 0.000 0.892 427 L HN -0.477 7.669 8.230 -0.140 0.000 0.431 428 C N -1.589 117.678 119.300 -0.054 0.000 3.684 428 C HA -0.150 4.298 4.460 -0.019 0.000 0.584 428 C C -1.663 173.396 174.990 0.114 0.000 1.130 428 C CA 0.888 59.912 59.018 0.010 0.000 1.194 428 C CB -2.754 24.974 27.740 -0.021 0.000 1.457 428 C HN -0.334 7.863 8.230 -0.055 0.000 0.647 429 N N 0.028 118.772 118.700 0.073 0.000 2.284 429 N HA 0.158 4.969 4.740 0.119 0.000 0.289 429 N C -1.028 174.504 175.510 0.037 0.000 1.179 429 N CA -0.763 52.334 53.050 0.078 0.000 0.774 429 N CB 2.845 41.369 38.487 0.062 0.000 1.548 429 N HN -0.174 8.153 8.380 0.033 0.072 0.473 430 R N 0.352 120.869 120.500 0.027 0.000 2.383 430 R HA 0.217 4.564 4.340 0.011 0.000 0.205 430 R C 0.104 176.392 176.300 -0.019 0.000 0.875 430 R CA 0.368 56.474 56.100 0.011 0.000 1.039 430 R CB 1.082 31.395 30.300 0.022 0.000 1.267 430 R HN 0.398 8.691 8.270 0.039 0.000 0.635 431 A N 1.062 123.858 122.820 -0.040 0.000 2.462 431 A HA 0.224 4.702 4.320 -0.093 -0.214 0.243 431 A C -0.457 177.028 177.584 -0.164 0.000 1.076 431 A CA 0.257 52.230 52.037 -0.107 0.000 0.773 431 A CB 0.836 19.757 19.000 -0.131 0.000 1.010 431 A HN -0.166 8.227 8.150 -0.016 -0.252 0.493 432 V N -5.263 114.521 119.914 -0.216 0.000 3.202 432 V HA 0.488 4.448 4.120 -0.267 0.000 0.306 432 V C -1.056 174.846 176.094 -0.320 0.000 1.283 432 V CA -2.229 59.936 62.300 -0.224 0.000 1.065 432 V CB 2.852 34.641 31.823 -0.057 0.000 1.079 432 V HN 0.868 8.847 8.190 -0.183 0.101 0.448 433 F N 0.181 120.138 119.950 0.012 0.000 2.898 433 F HA 0.295 4.826 4.527 0.008 0.000 0.290 433 F C -0.716 175.088 175.800 0.008 0.000 1.195 433 F CA -2.799 55.205 58.000 0.008 0.000 1.387 433 F CB -0.834 38.168 39.000 0.004 0.000 0.976 433 F HN 0.629 8.998 8.300 0.115 0.000 0.510 434 Q N -1.087 118.786 119.800 0.122 0.000 2.374 434 Q HA -0.531 3.841 4.340 0.053 0.000 0.336 434 Q C 0.427 176.480 176.000 0.088 0.000 1.257 434 Q CA 0.810 56.662 55.803 0.081 0.000 1.007 434 Q CB -1.962 26.817 28.738 0.068 0.000 1.106 434 Q HN -0.379 7.864 8.270 0.059 0.062 0.297 435 A N 2.021 124.887 122.820 0.076 0.000 5.295 435 A HA -0.602 3.756 4.320 0.064 0.000 0.313 435 A C -0.512 177.130 177.584 0.095 0.000 1.912 435 A CA 2.305 54.385 52.037 0.071 0.000 0.714 435 A CB -1.160 17.869 19.000 0.048 0.000 1.319 435 A HN 0.601 8.791 8.150 0.067 0.000 0.375 436 N N 0.062 118.802 118.700 0.067 0.000 2.477 436 N HA 0.066 4.847 4.740 0.069 0.000 0.167 436 N C -2.081 173.437 175.510 0.014 0.000 1.351 436 N CA 0.230 53.307 53.050 0.047 0.000 1.087 436 N CB 2.093 40.595 38.487 0.025 0.000 1.263 436 N HN 0.153 8.563 8.380 0.050 0.000 0.408 437 Q N -4.080 115.715 119.800 -0.008 0.000 2.518 437 Q HA 0.197 4.524 4.340 -0.022 0.000 0.254 437 Q C -1.298 174.690 176.000 -0.021 0.000 0.962 437 Q CA -0.221 55.565 55.803 -0.030 0.000 0.982 437 Q CB 1.571 30.266 28.738 -0.071 0.000 1.516 437 Q HN -0.465 7.804 8.270 -0.002 0.000 0.426 438 E N 1.845 122.035 120.200 -0.017 0.000 2.042 438 E HA 0.006 4.350 4.350 -0.010 0.000 0.189 438 E C -0.386 176.202 176.600 -0.020 0.000 0.974 438 E CA 1.684 58.076 56.400 -0.013 0.000 0.806 438 E CB 0.287 29.983 29.700 -0.008 0.000 0.769 438 E HN 0.443 8.795 8.360 -0.014 0.000 0.451 439 N N -3.576 115.109 118.700 -0.026 0.000 1.926 439 N HA -0.021 4.702 4.740 -0.028 0.000 0.221 439 N C -2.032 173.457 175.510 -0.034 0.000 1.410 439 N CA 0.223 53.256 53.050 -0.027 0.000 0.711 439 N CB 0.870 39.346 38.487 -0.020 0.000 1.126 439 N HN -0.270 8.095 8.380 -0.026 0.000 0.546 440 L N -1.014 120.183 121.223 -0.043 0.000 2.359 440 L HA 0.733 5.048 4.340 -0.042 0.000 0.256 440 L C -2.971 173.855 176.870 -0.073 0.000 1.026 440 L CA -2.367 52.445 54.840 -0.046 0.000 0.828 440 L CB -0.748 41.292 42.059 -0.032 0.000 1.406 440 L HN -0.580 7.623 8.230 -0.045 0.000 0.413 441 P HA 0.275 4.626 4.420 -0.116 0.000 0.275 441 P C 0.885 178.082 177.300 -0.171 0.000 1.227 441 P CA -1.110 61.925 63.100 -0.108 0.000 0.781 441 P CB 1.030 32.684 31.700 -0.078 0.000 0.906 442 I N 2.781 123.183 120.570 -0.280 0.000 2.113 442 I HA -0.466 3.246 4.170 -0.762 0.000 0.242 442 I C 0.909 176.790 176.117 -0.393 0.000 1.057 442 I CA 3.404 64.363 61.300 -0.570 0.000 1.314 442 I CB 0.199 37.835 38.000 -0.607 0.000 1.022 442 I HN 0.239 8.305 8.210 -0.240 0.000 0.408 443 L N -9.521 111.608 121.223 -0.157 0.000 2.551 443 L HA -0.036 4.357 4.340 0.089 0.000 0.228 443 L C -0.702 176.184 176.870 0.026 0.000 1.153 443 L CA 1.669 56.506 54.840 -0.005 0.000 0.851 443 L CB -0.610 41.446 42.059 -0.006 0.000 0.959 443 L HN -0.378 7.756 8.230 -0.160 0.000 0.451 444 K N -3.267 117.130 120.400 -0.006 0.000 2.972 444 K HA 0.189 4.533 4.320 0.041 0.000 0.209 444 K C -0.064 176.552 176.600 0.026 0.000 1.128 444 K CA -0.861 55.437 56.287 0.018 0.000 1.024 444 K CB -0.002 32.498 32.500 0.001 0.000 0.754 444 K HN -0.310 7.723 8.250 -0.059 0.182 0.454 445 R N -0.552 119.983 120.500 0.059 0.000 2.052 445 R HA -0.074 4.290 4.340 0.040 0.000 0.226 445 R C -0.158 176.206 176.300 0.106 0.000 1.145 445 R CA 0.440 56.592 56.100 0.087 0.000 0.952 445 R CB 0.230 30.630 30.300 0.167 0.000 0.847 445 R HN -0.306 8.020 8.270 0.094 0.000 0.431 446 A N -5.912 116.996 122.820 0.146 0.000 2.298 446 A HA -0.075 4.292 4.320 0.079 0.000 0.282 446 A C -2.962 174.692 177.584 0.116 0.000 0.990 446 A CA -0.425 51.675 52.037 0.106 0.000 0.526 446 A CB -0.185 18.860 19.000 0.076 0.000 1.595 446 A HN -0.130 8.151 8.150 0.219 0.000 0.696 447 V N -1.789 118.151 119.914 0.043 0.000 3.074 447 V HA 0.793 5.032 4.120 -0.070 -0.161 0.314 447 V C -1.134 174.952 176.094 -0.014 0.000 1.117 447 V CA -1.808 60.476 62.300 -0.026 0.000 1.014 447 V CB 3.740 35.530 31.823 -0.055 0.000 1.057 447 V HN 0.033 8.245 8.190 0.037 0.000 0.438 448 A N 2.180 124.975 122.820 -0.042 0.000 2.454 448 A HA 0.569 4.879 4.320 -0.015 0.000 0.302 448 A C -2.295 175.261 177.584 -0.047 0.000 1.079 448 A CA -1.254 50.767 52.037 -0.027 0.000 0.731 448 A CB 3.102 22.097 19.000 -0.009 0.000 1.299 448 A HN 0.300 8.394 8.150 -0.093 0.000 0.413 449 G N -0.322 108.462 108.800 -0.027 0.000 2.345 449 G HA2 -0.048 4.086 3.960 -0.022 0.000 0.285 449 G HA3 -0.048 3.888 3.960 -0.039 0.000 0.285 449 G C -2.687 172.209 174.900 -0.006 0.000 1.297 449 G CA 0.257 45.342 45.100 -0.025 0.000 0.875 449 G HN -0.014 8.267 8.290 -0.015 0.000 0.506 450 D N -1.228 119.175 120.400 0.005 0.000 2.585 450 D HA 0.220 4.869 4.640 0.015 0.000 0.254 450 D C 1.205 177.521 176.300 0.028 0.000 1.067 450 D CA -1.225 52.786 54.000 0.019 0.000 1.090 450 D CB 1.864 42.681 40.800 0.028 0.000 1.408 450 D HN 0.028 8.401 8.370 0.004 0.000 0.554 451 A N 1.245 124.088 122.820 0.038 0.000 2.276 451 A HA -0.069 4.270 4.320 0.030 0.000 0.205 451 A C 0.252 177.864 177.584 0.048 0.000 1.234 451 A CA 1.474 53.535 52.037 0.040 0.000 0.797 451 A CB -0.699 18.328 19.000 0.045 0.000 0.769 451 A HN 0.316 8.490 8.150 0.040 0.000 0.491 452 S N 0.035 115.768 115.700 0.054 0.000 2.315 452 S HA -0.122 4.550 4.470 0.060 -0.166 0.196 452 S C 0.526 175.159 174.600 0.055 0.000 1.045 452 S CA 1.250 59.487 58.200 0.062 0.000 1.055 452 S CB 1.175 64.422 63.200 0.078 0.000 0.963 452 S HN -0.182 8.046 8.310 0.050 0.112 0.439 453 E N -1.929 118.301 120.200 0.049 0.000 2.422 453 E HA 0.121 4.483 4.350 0.019 0.000 0.280 453 E C -2.152 174.446 176.600 -0.002 0.000 1.091 453 E CA -0.213 56.204 56.400 0.028 0.000 0.849 453 E CB 3.599 33.324 29.700 0.041 0.000 1.353 453 E HN -0.205 8.189 8.360 0.055 0.000 0.449 454 S N -1.135 114.545 115.700 -0.033 0.000 2.539 454 S HA 0.162 4.551 4.470 -0.135 0.000 0.226 454 S C 1.499 176.056 174.600 -0.072 0.000 1.054 454 S CA 0.790 58.932 58.200 -0.097 0.000 0.910 454 S CB 0.535 63.666 63.200 -0.115 0.000 0.818 454 S HN 0.283 8.583 8.310 -0.017 0.000 0.490 455 A N 2.577 125.385 122.820 -0.021 0.000 1.978 455 A HA -0.222 4.110 4.320 0.020 0.000 0.220 455 A C 1.150 178.726 177.584 -0.013 0.000 1.170 455 A CA 3.034 55.071 52.037 -0.000 0.000 0.636 455 A CB -0.803 18.201 19.000 0.006 0.000 0.810 455 A HN -0.007 8.509 8.150 -0.011 -0.373 0.448 456 L N -5.894 115.310 121.223 -0.033 0.000 2.189 456 L HA -0.226 4.039 4.340 -0.127 0.000 0.214 456 L C 1.017 177.852 176.870 -0.058 0.000 1.097 456 L CA 1.520 56.314 54.840 -0.076 0.000 0.764 456 L CB -0.575 41.460 42.059 -0.040 0.000 0.900 456 L HN -0.275 7.926 8.230 -0.017 0.019 0.436 457 L N -6.091 115.109 121.223 -0.039 0.000 2.609 457 L HA 0.284 4.627 4.340 0.004 0.000 0.230 457 L C 1.138 178.068 176.870 0.099 0.000 1.064 457 L CA 0.772 55.597 54.840 -0.024 0.000 0.873 457 L CB 1.821 43.787 42.059 -0.156 0.000 1.139 457 L HN -0.143 7.858 8.230 -0.053 0.197 0.490 458 K N 0.187 120.663 120.400 0.126 0.000 2.360 458 K HA -0.270 4.422 4.320 0.620 0.000 0.201 458 K C 0.604 177.303 176.600 0.166 0.000 1.046 458 K CA 3.078 59.538 56.287 0.287 0.000 0.940 458 K CB -0.045 32.575 32.500 0.199 0.000 0.748 458 K HN 0.036 8.225 8.250 0.035 0.082 0.465 459 C N -1.533 117.829 119.300 0.103 0.000 2.660 459 C HA 0.154 4.646 4.460 0.052 0.000 0.265 459 C C -1.150 173.884 174.990 0.072 0.000 1.573 459 C CA -1.096 57.967 59.018 0.076 0.000 1.751 459 C CB -0.660 27.127 27.740 0.078 0.000 3.033 459 C HN -0.210 7.998 8.230 0.088 0.075 0.511 460 I N -0.906 119.706 120.570 0.069 0.000 3.669 460 I HA 0.087 4.243 4.170 -0.024 0.000 0.255 460 I C 0.608 176.748 176.117 0.039 0.000 1.144 460 I CA 0.731 62.051 61.300 0.034 0.000 1.447 460 I CB 1.004 39.033 38.000 0.048 0.000 1.622 460 I HN -0.136 7.998 8.210 0.117 0.146 0.435 461 E N 1.169 121.449 120.200 0.134 0.000 2.409 461 E HA -0.210 4.364 4.350 0.072 -0.180 0.198 461 E C 2.156 178.758 176.600 0.004 0.000 1.024 461 E CA 2.430 58.900 56.400 0.117 0.000 0.861 461 E CB -0.372 29.506 29.700 0.296 0.000 0.788 461 E HN -0.419 8.072 8.360 0.218 0.000 0.521 462 V N -1.546 118.358 119.914 -0.017 0.000 2.287 462 V HA -0.297 3.754 4.120 -0.115 0.000 0.248 462 V C 0.471 176.513 176.094 -0.087 0.000 1.053 462 V CA 2.636 64.892 62.300 -0.074 0.000 1.027 462 V CB 0.682 32.472 31.823 -0.055 0.000 0.646 462 V HN 0.043 8.187 8.190 0.035 0.067 0.447 463 C N -5.282 113.960 119.300 -0.096 0.000 3.961 463 C HA 0.061 4.459 4.460 -0.104 0.000 0.326 463 C C -0.544 174.347 174.990 -0.164 0.000 2.639 463 C CA -0.076 58.869 59.018 -0.122 0.000 1.490 463 C CB 0.633 28.294 27.740 -0.132 0.000 2.907 463 C HN -0.501 7.676 8.230 -0.088 0.000 0.426 464 C N -0.718 118.487 119.300 -0.159 0.000 2.820 464 C HA 0.296 4.576 4.460 -0.299 0.000 0.323 464 C C -0.193 174.720 174.990 -0.128 0.000 1.279 464 C CA 0.482 59.370 59.018 -0.216 0.000 1.790 464 C CB 3.277 30.865 27.740 -0.252 0.000 2.328 464 C HN 0.317 8.483 8.230 -0.106 0.000 0.579 465 G N -1.039 107.725 108.800 -0.061 0.000 2.358 465 G HA2 -0.035 3.909 3.960 -0.027 0.000 0.303 465 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.303 465 G C -2.783 172.129 174.900 0.020 0.000 1.537 465 G CA -0.445 44.645 45.100 -0.017 0.000 0.928 465 G HN -0.920 7.339 8.290 -0.053 0.000 0.656 466 S N 0.581 116.300 115.700 0.031 0.000 2.443 466 S HA 0.166 4.670 4.470 0.056 0.000 0.284 466 S C 1.319 175.959 174.600 0.068 0.000 1.206 466 S CA -1.272 56.958 58.200 0.050 0.000 1.074 466 S CB 0.146 63.370 63.200 0.040 0.000 0.963 466 S HN 0.291 8.615 8.310 0.024 0.000 0.501 467 V N 9.364 129.322 119.914 0.074 0.000 2.488 467 V HA -0.333 3.832 4.120 0.076 0.000 0.246 467 V C 1.512 177.650 176.094 0.072 0.000 1.046 467 V CA 3.356 65.699 62.300 0.072 0.000 1.053 467 V CB 0.016 31.875 31.823 0.060 0.000 0.679 467 V HN 0.547 8.787 8.190 0.082 0.000 0.458 468 M N -2.878 116.765 119.600 0.071 0.000 2.539 468 M HA -0.368 4.148 4.480 0.061 0.000 0.261 468 M C 1.306 177.644 176.300 0.064 0.000 1.069 468 M CA 3.126 58.464 55.300 0.065 0.000 1.081 468 M CB -1.149 31.490 32.600 0.064 0.000 1.412 468 M HN -0.154 8.183 8.290 0.078 0.000 0.482 469 E N 0.333 120.575 120.200 0.069 0.000 2.110 469 E HA -0.097 4.289 4.350 0.060 0.000 0.193 469 E C 2.621 179.282 176.600 0.102 0.000 0.950 469 E CA 2.104 58.546 56.400 0.070 0.000 0.840 469 E CB 0.526 30.259 29.700 0.056 0.000 0.809 469 E HN -0.550 7.670 8.360 0.072 0.183 0.465 470 M N 0.108 119.789 119.600 0.133 0.000 2.346 470 M HA -0.307 4.323 4.480 0.250 0.000 0.263 470 M C 1.789 178.238 176.300 0.249 0.000 1.064 470 M CA 3.547 58.989 55.300 0.237 0.000 1.083 470 M CB -0.038 32.722 32.600 0.268 0.000 1.399 470 M HN -0.214 8.144 8.290 0.114 0.000 0.435 471 R N -1.617 118.972 120.500 0.148 0.000 2.170 471 R HA -0.428 3.995 4.340 0.137 0.000 0.242 471 R C 1.382 177.771 176.300 0.147 0.000 1.145 471 R CA 3.211 59.390 56.100 0.132 0.000 0.984 471 R CB -0.450 29.902 30.300 0.087 0.000 0.869 471 R HN 0.012 8.330 8.270 0.115 0.021 0.455 472 E N -4.450 115.829 120.200 0.133 0.000 2.399 472 E HA 0.120 4.529 4.350 0.098 0.000 0.205 472 E C 1.124 177.784 176.600 0.101 0.000 0.906 472 E CA 0.258 56.719 56.400 0.101 0.000 0.998 472 E CB 0.892 30.631 29.700 0.065 0.000 1.002 472 E HN -0.157 8.111 8.360 0.129 0.170 0.501 473 K N 0.690 121.156 120.400 0.109 0.000 2.044 473 K HA -0.281 4.030 4.320 -0.016 0.000 0.210 473 K C 0.750 177.359 176.600 0.015 0.000 1.049 473 K CA 2.714 59.015 56.287 0.024 0.000 0.927 473 K CB 0.480 32.968 32.500 -0.022 0.000 0.713 473 K HN -0.277 8.047 8.250 0.124 0.000 0.443 474 Y N -2.114 118.236 120.300 0.082 0.000 2.350 474 Y HA 0.068 4.674 4.550 0.094 0.000 0.340 474 Y C 0.313 176.272 175.900 0.099 0.000 1.006 474 Y CA -0.232 57.948 58.100 0.133 0.000 1.166 474 Y CB 0.060 38.674 38.460 0.256 0.000 1.168 474 Y HN -0.399 8.211 8.280 0.550 0.000 0.502 475 T N 3.717 118.363 114.554 0.152 0.000 2.929 475 T HA -0.248 4.110 4.350 0.013 0.000 0.271 475 T C 0.390 175.031 174.700 -0.098 0.000 1.085 475 T CA 1.701 63.798 62.100 -0.005 0.000 1.125 475 T CB 0.294 69.105 68.868 -0.095 0.000 0.874 475 T HN 0.483 8.803 8.240 0.133 0.000 0.494 476 K N -1.337 118.936 120.400 -0.211 0.000 3.510 476 K HA -0.307 3.126 4.320 -1.479 0.000 0.275 476 K C 0.052 176.400 176.600 -0.420 0.000 1.094 476 K CA 0.023 55.967 56.287 -0.571 0.000 0.822 476 K CB -1.016 31.334 32.500 -0.250 0.000 1.351 476 K HN 0.025 8.194 8.250 -0.081 0.032 0.458 477 I N -2.416 117.923 120.570 -0.385 0.000 2.053 477 I HA -0.363 3.677 4.170 -0.217 0.000 0.236 477 I C -0.476 175.604 176.117 -0.062 0.000 1.038 477 I CA 2.281 63.477 61.300 -0.172 0.000 1.304 477 I CB 0.530 38.526 38.000 -0.007 0.000 1.023 477 I HN 0.261 8.203 8.210 -0.446 0.000 0.395 478 V N -9.194 110.683 119.914 -0.062 0.000 3.120 478 V HA 0.221 4.344 4.120 0.006 0.000 0.303 478 V C -2.358 173.718 176.094 -0.030 0.000 1.238 478 V CA -1.344 60.960 62.300 0.007 0.000 1.008 478 V CB 3.755 35.654 31.823 0.127 0.000 1.064 478 V HN -0.613 7.498 8.190 -0.131 0.000 0.434 479 E N 0.623 120.825 120.200 0.004 0.000 3.428 479 E HA 0.143 4.647 4.350 0.011 -0.147 0.286 479 E C -1.431 175.177 176.600 0.013 0.000 1.204 479 E CA -1.406 55.000 56.400 0.009 0.000 1.015 479 E CB -0.147 29.561 29.700 0.014 0.000 1.370 479 E HN 0.015 8.387 8.360 0.020 0.000 0.391 480 I N 2.015 122.604 120.570 0.033 0.000 2.919 480 I HA -0.181 4.006 4.170 0.030 0.000 0.299 480 I C -0.594 175.495 176.117 -0.046 0.000 1.221 480 I CA -0.612 60.701 61.300 0.021 0.000 1.424 480 I CB 0.052 38.103 38.000 0.084 0.000 1.358 480 I HN -0.091 8.153 8.210 0.056 0.000 0.551 481 P HA 0.010 4.379 4.420 -0.084 0.000 0.274 481 P C -1.558 175.682 177.300 -0.099 0.000 1.237 481 P CA -0.524 62.516 63.100 -0.099 0.000 0.793 481 P CB 0.876 32.498 31.700 -0.130 0.000 0.977 482 F N -2.278 117.567 119.950 -0.176 0.000 2.335 482 F HA -0.020 4.372 4.527 -0.333 -0.065 0.296 482 F C -0.028 175.701 175.800 -0.118 0.000 1.091 482 F CA 0.539 58.414 58.000 -0.209 0.000 1.399 482 F CB 0.134 39.025 39.000 -0.181 0.000 1.067 482 F HN 0.044 8.246 8.300 -0.163 0.000 0.520 483 N N -0.239 118.287 118.700 -0.289 0.000 3.084 483 N HA -0.386 4.147 4.740 -0.346 0.000 0.197 483 N C 0.296 175.774 175.510 -0.053 0.000 0.452 483 N CA 2.696 55.617 53.050 -0.216 0.000 1.891 483 N CB -1.566 36.880 38.487 -0.068 0.000 1.456 483 N HN 0.232 8.120 8.380 -0.821 0.000 0.380 484 S N -1.562 114.229 115.700 0.152 0.000 2.551 484 S HA 0.168 4.899 4.470 0.434 0.000 0.276 484 S C 0.059 174.767 174.600 0.180 0.000 1.051 484 S CA 0.222 58.563 58.200 0.236 0.000 1.377 484 S CB 1.705 64.980 63.200 0.125 0.000 1.208 484 S HN 0.329 8.703 8.310 0.106 0.000 0.656 485 T N 1.135 115.772 114.554 0.139 0.000 2.976 485 T HA 0.031 4.435 4.350 0.090 0.000 0.257 485 T C 1.283 176.053 174.700 0.118 0.000 1.051 485 T CA 1.385 63.549 62.100 0.106 0.000 1.141 485 T CB 0.665 69.582 68.868 0.081 0.000 0.881 485 T HN -0.108 8.206 8.240 0.123 0.000 0.461 486 N N 0.576 119.357 118.700 0.135 0.000 2.300 486 N HA -0.034 4.821 4.740 0.193 0.000 0.179 486 N C -0.409 175.175 175.510 0.124 0.000 1.016 486 N CA 1.066 54.194 53.050 0.130 0.000 0.876 486 N CB 0.430 38.878 38.487 -0.065 0.000 0.979 486 N HN -0.516 7.961 8.380 0.162 0.000 0.432 487 K N -6.363 114.020 120.400 -0.029 0.000 3.377 487 K HA -0.400 3.560 4.320 -0.599 0.000 0.314 487 K C -2.038 174.467 176.600 -0.160 0.000 1.246 487 K CA 1.441 57.587 56.287 -0.234 0.000 0.961 487 K CB -1.779 30.658 32.500 -0.104 0.000 1.233 487 K HN 0.511 8.785 8.250 0.041 0.000 0.428 488 Y N -6.452 113.774 120.300 -0.125 0.000 2.562 488 Y HA 0.796 5.382 4.550 -0.145 -0.123 0.343 488 Y C -2.353 173.555 175.900 0.015 0.000 1.025 488 Y CA -3.215 54.836 58.100 -0.082 0.000 1.082 488 Y CB 2.718 41.157 38.460 -0.035 0.000 1.264 488 Y HN -0.922 7.197 8.280 0.013 0.169 0.478 489 Q N -0.850 118.898 119.800 -0.086 0.000 2.399 489 Q HA 0.480 4.609 4.340 -0.352 0.000 0.276 489 Q C -1.691 174.372 176.000 0.106 0.000 1.098 489 Q CA -1.980 53.752 55.803 -0.117 0.000 0.827 489 Q CB 5.023 33.758 28.738 -0.006 0.000 1.386 489 Q HN 0.670 8.882 8.270 0.076 0.104 0.443 490 L N 0.500 121.772 121.223 0.081 0.000 2.322 490 L HA 0.996 5.573 4.340 0.098 -0.178 0.269 490 L C -1.637 175.247 176.870 0.022 0.000 1.012 490 L CA -2.096 52.801 54.840 0.096 0.000 0.815 490 L CB 3.597 45.746 42.059 0.150 0.000 1.295 490 L HN -0.298 7.919 8.230 -0.022 0.000 0.438 491 S N 0.856 116.560 115.700 0.007 0.000 2.619 491 S HA 0.493 5.156 4.470 0.035 -0.172 0.280 491 S C -0.106 174.520 174.600 0.044 0.000 1.150 491 S CA -1.044 57.199 58.200 0.073 0.000 0.978 491 S CB 2.423 65.738 63.200 0.193 0.000 1.041 491 S HN 0.250 8.546 8.310 -0.023 0.000 0.485 492 I N 5.417 125.960 120.570 -0.044 0.000 2.186 492 I HA -0.224 3.815 4.170 -0.218 0.000 0.228 492 I C -0.775 175.419 176.117 0.127 0.000 1.062 492 I CA 2.575 63.805 61.300 -0.118 0.000 1.347 492 I CB 0.555 38.400 38.000 -0.258 0.000 1.122 492 I HN 0.553 8.714 8.210 -0.081 0.000 0.402 493 H N -6.930 112.119 119.070 -0.035 0.000 4.744 493 H HA -0.231 4.354 4.556 0.047 0.000 0.269 493 H C -0.790 174.634 175.328 0.160 0.000 0.559 493 H CA -0.245 55.829 56.048 0.043 0.000 0.714 493 H CB -0.092 29.655 29.762 -0.026 0.000 0.942 493 H HN -0.124 8.106 8.280 -0.083 0.000 0.311 494 K N -0.269 120.330 120.400 0.332 0.000 2.332 494 K HA -0.042 4.646 4.320 0.423 -0.114 0.246 494 K C -0.210 176.600 176.600 0.350 0.000 1.066 494 K CA 0.809 57.293 56.287 0.330 0.000 0.898 494 K CB 0.964 33.582 32.500 0.197 0.000 1.192 494 K HN 0.154 8.580 8.250 0.294 0.000 0.509 495 N N -1.567 117.231 118.700 0.163 0.000 2.578 495 N HA 0.333 5.033 4.740 -0.067 0.000 0.282 495 N C -1.994 173.466 175.510 -0.085 0.000 1.119 495 N CA -2.111 50.972 53.050 0.055 0.000 0.948 495 N CB 2.277 40.851 38.487 0.146 0.000 1.546 495 N HN 0.018 8.358 8.380 0.063 0.078 0.525 496 P HA -0.070 4.299 4.420 -0.085 0.000 0.225 496 P C -0.750 176.488 177.300 -0.104 0.000 1.156 496 P CA 0.670 63.697 63.100 -0.121 0.000 0.787 496 P CB 0.484 32.105 31.700 -0.131 0.000 0.802 497 N N -0.659 117.968 118.700 -0.121 0.000 2.610 497 N HA 0.017 4.717 4.740 -0.065 0.000 0.264 497 N C -1.571 173.887 175.510 -0.086 0.000 1.348 497 N CA 0.078 53.076 53.050 -0.086 0.000 0.819 497 N CB 1.853 40.291 38.487 -0.081 0.000 1.521 497 N HN -0.401 8.157 8.380 -0.161 -0.275 0.497 498 A N 1.388 124.170 122.820 -0.064 0.000 6.647 498 A HA -0.196 4.099 4.320 -0.043 0.000 0.236 498 A C 0.906 178.404 177.584 -0.143 0.000 2.220 498 A CA 0.734 52.701 52.037 -0.117 0.000 0.695 498 A CB -0.846 17.976 19.000 -0.297 0.000 0.942 498 A HN 0.280 8.409 8.150 -0.035 0.000 0.371 499 S N 0.554 116.145 115.700 -0.183 0.000 2.641 499 S HA -0.164 4.257 4.470 -0.082 0.000 0.239 499 S C -0.561 173.960 174.600 -0.131 0.000 0.972 499 S CA 1.045 59.167 58.200 -0.130 0.000 0.954 499 S CB -0.257 62.874 63.200 -0.114 0.000 0.767 499 S HN 0.275 8.453 8.310 -0.220 0.000 0.539 500 E N 2.443 122.552 120.200 -0.152 0.000 2.354 500 E HA 0.178 4.460 4.350 -0.113 0.000 0.269 500 E C -2.003 174.547 176.600 -0.082 0.000 1.036 500 E CA -2.425 53.909 56.400 -0.111 0.000 0.876 500 E CB 0.454 30.103 29.700 -0.084 0.000 1.009 500 E HN -0.671 7.457 8.360 -0.164 0.134 0.416 501 P HA 0.039 4.416 4.420 -0.072 0.000 0.272 501 P C -1.299 175.957 177.300 -0.073 0.000 1.230 501 P CA -0.596 62.458 63.100 -0.076 0.000 0.788 501 P CB 1.190 32.837 31.700 -0.087 0.000 0.949 502 K N -3.991 116.335 120.400 -0.123 0.000 2.209 502 K HA -0.217 4.231 4.320 -0.143 -0.214 0.204 502 K C 0.350 176.757 176.600 -0.322 0.000 1.048 502 K CA 2.290 58.441 56.287 -0.227 0.000 0.940 502 K CB 0.466 32.779 32.500 -0.311 0.000 0.729 502 K HN 0.167 8.351 8.250 -0.110 0.000 0.451 503 H N -5.073 114.068 119.070 0.118 0.000 2.524 503 H HA 0.380 5.160 4.556 0.150 -0.134 0.353 503 H C -0.693 174.634 175.328 -0.001 0.000 1.136 503 H CA -1.269 54.855 56.048 0.127 0.000 1.193 503 H CB 2.557 32.484 29.762 0.275 0.000 1.558 503 H HN -0.807 7.389 8.280 -0.106 0.020 0.515 504 L N -1.793 119.483 121.223 0.088 0.000 2.251 504 L HA 0.627 4.890 4.340 -0.128 0.000 0.244 504 L C -2.875 173.935 176.870 -0.099 0.000 1.095 504 L CA -1.974 52.834 54.840 -0.054 0.000 0.910 504 L CB 3.923 45.950 42.059 -0.053 0.000 1.516 504 L HN 0.404 8.725 8.230 0.151 0.000 0.429 505 L N -2.301 118.832 121.223 -0.150 0.000 2.409 505 L HA 0.610 5.160 4.340 -0.146 -0.297 0.262 505 L C -2.195 174.622 176.870 -0.088 0.000 0.992 505 L CA -1.595 53.145 54.840 -0.168 0.000 0.817 505 L CB 4.301 46.184 42.059 -0.293 0.000 1.350 505 L HN 0.222 8.354 8.230 -0.164 0.000 0.411 506 V N -3.157 116.719 119.914 -0.064 0.000 2.789 506 V HA 0.631 4.877 4.120 0.027 -0.110 0.311 506 V C -2.195 173.881 176.094 -0.030 0.000 1.073 506 V CA -2.564 59.721 62.300 -0.024 0.000 0.921 506 V CB 3.314 35.105 31.823 -0.052 0.000 1.009 506 V HN 0.954 9.099 8.190 -0.076 0.000 0.426 507 M N 2.907 122.491 119.600 -0.027 0.000 2.591 507 M HA 0.864 5.524 4.480 0.022 -0.167 0.306 507 M C -1.430 174.782 176.300 -0.148 0.000 1.190 507 M CA -1.066 54.221 55.300 -0.021 0.000 0.889 507 M CB 4.996 37.611 32.600 0.026 0.000 1.728 507 M HN 0.589 8.755 8.290 -0.019 0.112 0.458 508 K N -0.686 119.607 120.400 -0.179 0.000 2.480 508 K HA 0.529 4.521 4.320 -0.547 0.000 0.258 508 K C -1.815 174.671 176.600 -0.190 0.000 0.990 508 K CA -1.578 54.468 56.287 -0.401 0.000 0.857 508 K CB 4.548 36.688 32.500 -0.599 0.000 1.384 508 K HN 0.589 8.819 8.250 -0.034 0.000 0.446 509 G N -1.265 107.408 108.800 -0.212 0.000 2.361 509 G HA2 -0.104 3.747 3.960 -0.195 0.000 0.331 509 G HA3 -0.104 3.891 3.960 -0.040 -0.059 0.331 509 G C -2.761 172.100 174.900 -0.066 0.000 1.324 509 G CA -0.410 44.615 45.100 -0.124 0.000 0.984 509 G HN -0.147 7.967 8.290 -0.294 0.000 0.586 510 A N -0.594 122.192 122.820 -0.057 0.000 2.524 510 A HA 0.325 4.652 4.320 0.011 0.000 0.250 510 A C -0.846 176.756 177.584 0.031 0.000 1.078 510 A CA -1.974 50.059 52.037 -0.006 0.000 0.761 510 A CB -0.541 18.449 19.000 -0.016 0.000 1.012 510 A HN 0.077 8.163 8.150 -0.107 0.000 0.500 511 P HA -0.274 4.283 4.420 0.229 0.000 0.216 511 P C 1.021 178.354 177.300 0.055 0.000 1.157 511 P CA 2.359 65.523 63.100 0.107 0.000 0.880 511 P CB 0.212 31.912 31.700 -0.001 0.000 0.791 512 E N -1.299 118.875 120.200 -0.042 0.000 2.058 512 E HA -0.336 3.979 4.350 -0.059 0.000 0.194 512 E C 2.616 179.187 176.600 -0.048 0.000 0.997 512 E CA 3.158 59.537 56.400 -0.036 0.000 0.801 512 E CB -1.951 27.760 29.700 0.019 0.000 0.746 512 E HN 0.476 8.771 8.360 -0.107 0.000 0.450 513 R N -2.013 118.481 120.500 -0.010 0.000 2.189 513 R HA -0.159 4.174 4.340 -0.012 0.000 0.218 513 R C 2.193 178.481 176.300 -0.020 0.000 1.074 513 R CA 2.171 58.270 56.100 -0.002 0.000 0.991 513 R CB -0.717 29.600 30.300 0.028 0.000 0.883 513 R HN -0.767 7.506 8.270 0.006 0.000 0.457 514 I N -0.527 120.038 120.570 -0.009 0.000 2.193 514 I HA -0.405 3.725 4.170 -0.066 0.000 0.240 514 I C 1.413 177.491 176.117 -0.065 0.000 1.084 514 I CA 3.380 64.674 61.300 -0.011 0.000 1.365 514 I CB 0.161 38.220 38.000 0.098 0.000 1.064 514 I HN -0.172 8.026 8.210 0.015 0.021 0.410 515 L N 0.118 121.243 121.223 -0.162 0.000 2.137 515 L HA -0.455 3.613 4.340 -0.453 0.000 0.213 515 L C 1.280 178.008 176.870 -0.237 0.000 1.085 515 L CA 3.046 57.661 54.840 -0.374 0.000 0.760 515 L CB -0.447 41.217 42.059 -0.659 0.000 0.893 515 L HN -0.068 8.016 8.230 -0.136 0.064 0.434 516 D N -2.647 117.661 120.400 -0.152 0.000 2.154 516 D HA -0.352 4.229 4.640 -0.098 0.000 0.190 516 D C 1.906 178.146 176.300 -0.100 0.000 1.003 516 D CA 2.938 56.875 54.000 -0.105 0.000 0.849 516 D CB 0.136 40.892 40.800 -0.073 0.000 0.942 516 D HN -0.231 8.034 8.370 -0.134 0.024 0.446 517 R N -5.423 115.014 120.500 -0.105 0.000 2.156 517 R HA -0.017 4.280 4.340 -0.072 0.000 0.207 517 R C 0.407 176.662 176.300 -0.075 0.000 1.040 517 R CA 1.316 57.364 56.100 -0.087 0.000 1.013 517 R CB 0.219 30.457 30.300 -0.103 0.000 0.931 517 R HN -0.375 7.817 8.270 -0.115 0.010 0.465 518 C N 1.303 120.552 119.300 -0.085 0.000 2.619 518 C HA -0.072 4.602 4.460 0.004 -0.212 0.389 518 C C 0.073 175.000 174.990 -0.105 0.000 1.314 518 C CA 1.598 60.588 59.018 -0.047 0.000 1.678 518 C CB -0.299 27.464 27.740 0.039 0.000 2.398 518 C HN -0.191 7.872 8.230 -0.110 0.101 0.582 519 S N 5.824 121.495 115.700 -0.049 0.000 2.749 519 S HA 0.197 4.614 4.470 -0.090 0.000 0.246 519 S C -1.014 173.575 174.600 -0.018 0.000 1.023 519 S CA -0.433 57.736 58.200 -0.053 0.000 1.012 519 S CB 0.377 63.552 63.200 -0.041 0.000 0.942 519 S HN 0.526 8.689 8.310 -0.013 0.139 0.531 520 S N 0.671 116.381 115.700 0.017 0.000 2.740 520 S HA 0.737 5.409 4.470 0.027 -0.186 0.300 520 S C -1.627 173.031 174.600 0.096 0.000 1.147 520 S CA -1.083 57.145 58.200 0.047 0.000 0.871 520 S CB 3.504 66.741 63.200 0.062 0.000 1.173 520 S HN -0.722 7.609 8.310 0.034 0.000 0.510 521 I N -1.385 119.247 120.570 0.104 0.000 3.195 521 I HA 0.340 4.676 4.170 0.277 0.000 0.313 521 I C -3.191 172.974 176.117 0.080 0.000 1.237 521 I CA -2.018 59.373 61.300 0.152 0.000 0.963 521 I CB 4.952 43.027 38.000 0.125 0.000 1.278 521 I HN 0.691 8.943 8.210 0.070 0.000 0.460 522 L N 4.295 125.549 121.223 0.052 0.000 2.345 522 L HA 0.560 5.103 4.340 0.047 -0.174 0.274 522 L C -1.574 175.281 176.870 -0.024 0.000 0.999 522 L CA -1.041 53.815 54.840 0.028 0.000 0.849 522 L CB 1.566 43.641 42.059 0.026 0.000 1.220 522 L HN 0.242 8.510 8.230 0.063 0.000 0.422 523 L N 7.926 129.154 121.223 0.009 0.000 2.283 523 L HA 0.455 4.934 4.340 -0.020 -0.151 0.281 523 L C -0.238 176.743 176.870 0.185 0.000 1.033 523 L CA -1.232 53.650 54.840 0.069 0.000 0.848 523 L CB -0.758 41.347 42.059 0.077 0.000 1.226 523 L HN 0.845 8.995 8.230 0.035 0.101 0.429 524 H N 3.435 122.532 119.070 0.045 0.000 2.713 524 H HA -0.381 4.238 4.556 0.105 0.000 0.311 524 H C 0.566 175.932 175.328 0.063 0.000 1.175 524 H CA 0.961 57.050 56.048 0.068 0.000 1.143 524 H CB -2.746 27.042 29.762 0.044 0.000 1.434 524 H HN 1.068 9.187 8.280 -0.268 0.000 0.418 525 G N -4.613 104.259 108.800 0.120 0.000 2.217 525 G HA2 -0.470 3.555 3.960 0.108 0.000 0.246 525 G HA3 -0.470 3.562 3.960 0.119 0.000 0.246 525 G C -0.761 174.195 174.900 0.093 0.000 0.990 525 G CA -0.006 45.160 45.100 0.111 0.000 0.627 525 G HN -0.063 8.265 8.290 0.075 0.007 0.522 526 K N 0.823 121.276 120.400 0.089 0.000 2.106 526 K HA 0.194 4.549 4.320 0.059 0.000 0.246 526 K C -1.113 175.524 176.600 0.061 0.000 0.987 526 K CA -1.379 54.948 56.287 0.066 0.000 0.904 526 K CB 1.676 34.209 32.500 0.056 0.000 1.071 526 K HN -0.171 7.952 8.250 0.108 0.192 0.453 527 E N 0.759 120.990 120.200 0.051 0.000 2.345 527 E HA 0.271 4.812 4.350 0.058 -0.156 0.259 527 E C -0.069 176.549 176.600 0.031 0.000 1.117 527 E CA 0.431 56.859 56.400 0.047 0.000 0.913 527 E CB 1.244 30.971 29.700 0.044 0.000 1.057 527 E HN 0.218 8.605 8.360 0.044 0.000 0.432 528 Q N -1.058 118.758 119.800 0.026 0.000 2.397 528 Q HA 0.529 4.876 4.340 0.011 0.000 0.275 528 Q C -2.371 173.640 176.000 0.019 0.000 1.090 528 Q CA -3.231 52.580 55.803 0.014 0.000 0.809 528 Q CB 3.199 31.936 28.738 -0.001 0.000 1.362 528 Q HN 0.307 8.599 8.270 0.037 0.000 0.431 529 P HA 0.015 4.441 4.420 0.010 0.000 0.276 529 P C -1.362 175.940 177.300 0.004 0.000 1.235 529 P CA -0.491 62.613 63.100 0.007 0.000 0.772 529 P CB 0.449 32.151 31.700 0.003 0.000 0.871 530 L N 5.482 126.702 121.223 -0.006 0.000 2.436 530 L HA 0.044 4.385 4.340 0.001 0.000 0.265 530 L C -0.819 176.037 176.870 -0.024 0.000 1.168 530 L CA 1.145 55.973 54.840 -0.021 0.000 0.815 530 L CB 1.149 43.165 42.059 -0.072 0.000 1.109 530 L HN 0.170 8.274 8.230 -0.009 0.121 0.462 531 D N -1.355 119.033 120.400 -0.020 0.000 2.677 531 D HA 0.196 4.822 4.640 -0.023 0.000 0.298 531 D C 0.636 176.927 176.300 -0.015 0.000 1.250 531 D CA -0.625 53.366 54.000 -0.016 0.000 0.888 531 D CB 3.146 43.944 40.800 -0.002 0.000 1.397 531 D HN -0.286 8.076 8.370 -0.013 0.000 0.461 532 E N 0.057 120.251 120.200 -0.010 0.000 2.171 532 E HA -0.379 3.965 4.350 -0.010 0.000 0.197 532 E C 1.457 178.067 176.600 0.016 0.000 0.997 532 E CA 3.546 59.945 56.400 -0.003 0.000 0.810 532 E CB -0.164 29.535 29.700 -0.001 0.000 0.738 532 E HN 0.338 8.692 8.360 -0.011 0.000 0.467 533 E N -0.257 119.956 120.200 0.023 0.000 2.076 533 E HA -0.101 4.272 4.350 0.039 0.000 0.190 533 E C 2.167 178.810 176.600 0.072 0.000 0.979 533 E CA 2.247 58.671 56.400 0.040 0.000 0.807 533 E CB -0.762 28.957 29.700 0.031 0.000 0.761 533 E HN 0.488 8.830 8.360 0.015 0.027 0.454 534 L N -1.921 119.345 121.223 0.072 0.000 2.240 534 L HA -0.195 4.260 4.340 0.191 0.000 0.211 534 L C 2.375 179.333 176.870 0.147 0.000 1.106 534 L CA 2.587 57.508 54.840 0.134 0.000 0.793 534 L CB -0.960 41.155 42.059 0.092 0.000 0.927 534 L HN -0.040 8.128 8.230 0.042 0.087 0.446 535 K N -0.222 120.206 120.400 0.045 0.000 2.032 535 K HA -0.390 3.913 4.320 -0.028 0.000 0.209 535 K C 1.785 178.459 176.600 0.123 0.000 1.048 535 K CA 3.680 59.989 56.287 0.036 0.000 0.927 535 K CB -0.624 31.870 32.500 -0.011 0.000 0.712 535 K HN 0.540 8.698 8.250 0.020 0.104 0.441 536 D N -1.093 119.358 120.400 0.085 0.000 2.104 536 D HA -0.309 4.361 4.640 0.050 0.000 0.194 536 D C 1.790 178.130 176.300 0.066 0.000 0.994 536 D CA 3.559 57.598 54.000 0.065 0.000 0.830 536 D CB 0.133 40.964 40.800 0.051 0.000 0.959 536 D HN -0.428 7.911 8.370 0.065 0.071 0.452 537 A N -1.260 121.648 122.820 0.146 0.000 1.902 537 A HA -0.254 4.177 4.320 0.185 0.000 0.217 537 A C 2.105 179.734 177.584 0.074 0.000 1.181 537 A CA 2.975 55.161 52.037 0.249 0.000 0.623 537 A CB -0.754 18.503 19.000 0.428 0.000 0.818 537 A HN -0.189 8.059 8.150 0.163 0.000 0.443 538 F N 0.451 120.194 119.950 -0.344 0.000 2.075 538 F HA -0.470 2.560 4.527 -2.495 0.000 0.297 538 F C 1.289 176.726 175.800 -0.605 0.000 1.113 538 F CA 3.505 60.830 58.000 -1.125 0.000 1.218 538 F CB 0.015 38.481 39.000 -0.889 0.000 0.984 538 F HN -0.493 7.788 8.300 0.171 0.121 0.472 539 Q N -0.458 119.096 119.800 -0.411 0.000 1.975 539 Q HA -0.453 3.589 4.340 -0.496 0.000 0.205 539 Q C 2.526 178.356 176.000 -0.283 0.000 0.990 539 Q CA 3.561 59.176 55.803 -0.314 0.000 0.845 539 Q CB -0.375 28.356 28.738 -0.010 0.000 0.913 539 Q HN 0.597 8.763 8.270 0.015 0.114 0.420 540 N N -1.077 117.510 118.700 -0.190 0.000 2.223 540 N HA -0.314 4.340 4.740 -0.142 0.000 0.185 540 N C 2.168 177.559 175.510 -0.199 0.000 1.016 540 N CA 2.997 55.958 53.050 -0.149 0.000 0.863 540 N CB -0.137 38.310 38.487 -0.066 0.000 0.983 540 N HN 0.162 8.466 8.380 -0.127 0.000 0.429 541 A N 0.686 123.329 122.820 -0.294 0.000 1.832 541 A HA -0.243 3.981 4.320 -0.159 0.000 0.214 541 A C 1.690 179.080 177.584 -0.323 0.000 1.200 541 A CA 2.958 54.803 52.037 -0.321 0.000 0.610 541 A CB -0.928 17.686 19.000 -0.644 0.000 0.842 541 A HN -0.585 7.338 8.150 -0.358 0.012 0.444 542 Y N 0.026 119.933 120.300 -0.655 0.000 2.139 542 Y HA -0.469 3.835 4.550 -0.410 0.000 0.282 542 Y C 1.930 177.620 175.900 -0.349 0.000 1.179 542 Y CA 2.798 60.559 58.100 -0.564 0.000 1.161 542 Y CB -0.258 37.598 38.460 -1.006 0.000 0.970 542 Y HN 0.155 7.912 8.280 -0.689 0.110 0.511 543 L N -4.685 116.216 121.223 -0.538 0.000 2.156 543 L HA -0.264 3.670 4.340 -0.675 0.000 0.208 543 L C 1.480 178.160 176.870 -0.317 0.000 1.095 543 L CA 1.813 56.359 54.840 -0.491 0.000 0.770 543 L CB -0.199 41.665 42.059 -0.324 0.000 0.914 543 L HN 0.346 8.226 8.230 -0.389 0.117 0.439 544 E N -2.059 117.993 120.200 -0.247 0.000 2.150 544 E HA -0.257 3.990 4.350 -0.172 0.000 0.193 544 E C 1.919 178.396 176.600 -0.204 0.000 0.985 544 E CA 1.991 58.274 56.400 -0.195 0.000 0.814 544 E CB 0.082 29.684 29.700 -0.163 0.000 0.752 544 E HN -0.526 7.574 8.360 -0.250 0.110 0.466 545 L N -4.322 116.778 121.223 -0.205 0.000 2.162 545 L HA -0.191 4.055 4.340 -0.157 0.000 0.205 545 L C 0.290 177.079 176.870 -0.135 0.000 1.086 545 L CA 1.303 56.056 54.840 -0.145 0.000 0.778 545 L CB 0.712 42.731 42.059 -0.068 0.000 0.928 545 L HN -0.258 7.725 8.230 -0.226 0.111 0.446 546 G N -5.997 102.668 108.800 -0.225 0.000 3.249 546 G HA2 0.062 3.921 3.960 -0.170 0.000 0.124 546 G HA3 0.062 3.936 3.960 -0.144 0.000 0.124 546 G C -0.703 173.966 174.900 -0.384 0.000 1.128 546 G CA 0.630 45.600 45.100 -0.218 0.000 1.461 546 G HN -0.317 7.775 8.290 -0.329 0.000 0.683 547 G N 0.937 109.431 108.800 -0.510 0.000 2.148 547 G HA2 -0.299 3.179 3.960 -0.804 0.000 0.254 547 G HA3 -0.299 3.099 3.960 -0.936 0.000 0.254 547 G C 0.271 175.026 174.900 -0.242 0.000 0.981 547 G CA 0.907 45.599 45.100 -0.680 0.000 0.670 547 G HN 0.254 8.352 8.290 -0.320 0.000 0.528 548 L N -1.550 119.590 121.223 -0.138 0.000 2.127 548 L HA 0.110 4.401 4.340 -0.081 0.000 0.203 548 L C 0.693 177.550 176.870 -0.023 0.000 1.080 548 L CA 0.362 55.158 54.840 -0.073 0.000 0.768 548 L CB -0.044 41.979 42.059 -0.060 0.000 0.924 548 L HN 0.007 8.110 8.230 -0.139 0.044 0.444 549 G N -2.366 106.436 108.800 0.003 0.000 2.485 549 G HA2 -0.074 3.905 3.960 0.032 0.000 0.182 549 G HA3 -0.074 3.895 3.960 0.016 0.000 0.182 549 G C -1.651 173.274 174.900 0.042 0.000 1.172 549 G CA -0.417 44.697 45.100 0.024 0.000 0.996 549 G HN -0.610 7.679 8.290 -0.001 0.000 0.496 550 E N 2.214 122.436 120.200 0.036 0.000 2.037 550 E HA -0.102 4.281 4.350 0.056 0.000 0.253 550 E C -0.358 176.271 176.600 0.048 0.000 1.265 550 E CA 0.852 57.279 56.400 0.045 0.000 0.972 550 E CB -1.101 28.622 29.700 0.038 0.000 1.054 550 E HN -0.027 8.350 8.360 0.028 0.000 0.432 551 R N 2.238 122.776 120.500 0.063 0.000 3.350 551 R HA 0.071 4.443 4.340 0.053 0.000 0.148 551 R C -0.694 175.660 176.300 0.089 0.000 0.732 551 R CA 0.246 56.380 56.100 0.056 0.000 1.152 551 R CB 1.792 32.105 30.300 0.020 0.000 1.613 551 R HN -0.138 8.184 8.270 0.086 0.000 0.529 552 V N 1.550 121.540 119.914 0.127 0.000 2.439 552 V HA 0.064 4.282 4.120 0.163 0.000 0.282 552 V C -1.099 175.122 176.094 0.211 0.000 1.039 552 V CA -0.596 61.819 62.300 0.191 0.000 0.913 552 V CB 0.812 32.802 31.823 0.278 0.000 0.983 552 V HN -0.025 8.239 8.190 0.123 0.000 0.460 553 L N 3.982 125.343 121.223 0.229 0.000 2.304 553 L HA 0.181 4.616 4.340 0.158 0.000 0.268 553 L C -0.391 176.639 176.870 0.267 0.000 1.010 553 L CA -1.374 53.608 54.840 0.238 0.000 0.813 553 L CB 3.126 45.391 42.059 0.344 0.000 1.315 553 L HN 0.228 8.596 8.230 0.229 0.000 0.445 554 G N -1.289 107.604 108.800 0.155 0.000 2.497 554 G HA2 0.041 4.082 3.960 0.135 0.000 0.210 554 G HA3 0.041 4.007 3.960 0.010 0.000 0.210 554 G C -0.680 174.192 174.900 -0.047 0.000 1.177 554 G CA 0.094 45.223 45.100 0.048 0.000 0.822 554 G HN -0.212 8.109 8.290 0.052 0.000 0.550 555 F N -0.848 118.995 119.950 -0.177 0.000 2.243 555 F HA -0.318 4.300 4.527 -0.115 -0.159 0.267 555 F C -1.121 174.507 175.800 -0.287 0.000 1.052 555 F CA 0.456 58.349 58.000 -0.179 0.000 0.999 555 F CB -2.449 36.475 39.000 -0.126 0.000 1.310 555 F HN -0.338 7.772 8.300 -0.316 0.000 0.787 556 C N -1.197 118.022 119.300 -0.135 0.000 2.668 556 C HA 0.488 4.919 4.460 -0.185 -0.082 0.355 556 C C -1.346 173.660 174.990 0.028 0.000 1.277 556 C CA -2.836 56.110 59.018 -0.119 0.000 1.787 556 C CB 3.507 31.180 27.740 -0.111 0.000 2.233 556 C HN -0.020 8.127 8.230 -0.138 0.000 0.495 557 H N -4.064 114.982 119.070 -0.040 0.000 2.959 557 H HA 0.483 5.090 4.556 -0.056 -0.083 0.296 557 H C -2.499 172.804 175.328 -0.042 0.000 1.421 557 H CA -2.165 53.858 56.048 -0.041 0.000 1.206 557 H CB 3.524 33.268 29.762 -0.029 0.000 1.891 557 H HN 0.481 8.884 8.280 0.204 0.000 0.573 558 L N -1.143 119.996 121.223 -0.140 0.000 2.528 558 L HA 0.343 4.547 4.340 -0.227 0.000 0.267 558 L C -2.124 174.511 176.870 -0.391 0.000 0.961 558 L CA -0.280 54.410 54.840 -0.250 0.000 0.866 558 L CB 3.353 45.330 42.059 -0.137 0.000 1.248 558 L HN 0.579 8.730 8.230 -0.133 0.000 0.404 559 L N 5.793 126.733 121.223 -0.471 0.000 2.401 559 L HA 0.078 4.226 4.340 -0.320 0.000 0.283 559 L C -0.490 176.219 176.870 -0.268 0.000 1.151 559 L CA -0.239 54.392 54.840 -0.348 0.000 0.942 559 L CB -1.820 40.052 42.059 -0.312 0.000 1.283 559 L HN 0.256 8.216 8.230 -0.450 0.000 0.442 560 L N 4.972 126.019 121.223 -0.294 0.000 2.473 560 L HA 0.105 4.152 4.340 -0.489 0.000 0.268 560 L C -0.885 175.782 176.870 -0.339 0.000 1.215 560 L CA -1.432 53.144 54.840 -0.441 0.000 0.823 560 L CB -0.641 41.071 42.059 -0.577 0.000 1.099 560 L HN -0.421 7.651 8.230 -0.262 0.000 0.483 561 P HA 0.067 4.429 4.420 -0.096 0.000 0.272 561 P C -1.623 175.662 177.300 -0.024 0.000 1.230 561 P CA -0.673 62.336 63.100 -0.152 0.000 0.788 561 P CB 0.870 32.528 31.700 -0.070 0.000 0.949 562 D N 0.375 120.801 120.400 0.044 0.000 2.255 562 D HA -0.158 4.576 4.640 0.157 0.000 0.224 562 D C 2.199 178.607 176.300 0.180 0.000 0.997 562 D CA 2.712 56.778 54.000 0.110 0.000 0.906 562 D CB 0.049 40.872 40.800 0.039 0.000 1.047 562 D HN 0.183 8.561 8.370 0.014 0.000 0.458 563 E N -2.635 117.639 120.200 0.123 0.000 2.204 563 E HA -0.231 4.187 4.350 0.114 0.000 0.195 563 E C 0.429 177.125 176.600 0.160 0.000 0.990 563 E CA 1.960 58.432 56.400 0.120 0.000 0.821 563 E CB -0.032 29.714 29.700 0.078 0.000 0.750 563 E HN 0.203 8.611 8.360 0.080 0.000 0.477 564 Q N -4.094 115.829 119.800 0.206 0.000 2.319 564 Q HA 0.054 4.506 4.340 0.187 0.000 0.202 564 Q C -0.397 175.883 176.000 0.467 0.000 0.896 564 Q CA -0.496 55.461 55.803 0.256 0.000 0.942 564 Q CB 0.227 29.091 28.738 0.209 0.000 1.083 564 Q HN 0.023 8.358 8.270 0.185 0.046 0.510 565 F N 1.787 121.835 119.950 0.165 0.000 2.557 565 F HA 0.340 5.001 4.527 0.224 0.000 0.336 565 F C -1.873 174.048 175.800 0.202 0.000 1.058 565 F CA -2.920 55.224 58.000 0.240 0.000 0.988 565 F CB 1.615 40.831 39.000 0.359 0.000 1.275 565 F HN -0.518 7.892 8.300 0.476 0.176 0.488 566 P HA 0.229 4.664 4.420 0.025 0.000 0.284 566 P C -0.124 177.245 177.300 0.115 0.000 1.253 566 P CA -0.841 62.263 63.100 0.007 0.000 0.800 566 P CB 1.313 32.865 31.700 -0.247 0.000 0.961 567 E N 3.376 123.636 120.200 0.099 0.000 2.150 567 E HA -0.330 4.252 4.350 0.387 0.000 0.193 567 E C 0.900 177.512 176.600 0.020 0.000 0.985 567 E CA 2.285 58.788 56.400 0.172 0.000 0.814 567 E CB -0.344 29.407 29.700 0.086 0.000 0.752 567 E HN 0.431 8.815 8.360 0.040 0.000 0.466 568 G N -4.892 103.760 108.800 -0.248 0.000 2.882 568 G HA2 -0.082 3.451 3.960 -0.712 0.000 0.206 568 G HA3 -0.082 3.562 3.960 -0.527 0.000 0.206 568 G C -0.311 173.934 174.900 -1.092 0.000 1.155 568 G CA -0.483 44.237 45.100 -0.633 0.000 0.800 568 G HN -0.061 8.095 8.290 -0.199 0.014 0.524 569 F N -6.025 113.732 119.950 -0.322 0.000 3.082 569 F HA -0.545 3.510 4.527 -0.787 0.000 0.272 569 F C -1.564 173.721 175.800 -0.858 0.000 0.936 569 F CA -1.015 56.656 58.000 -0.548 0.000 0.920 569 F CB -2.743 36.155 39.000 -0.170 0.000 0.901 569 F HN -0.746 7.292 8.300 -0.258 0.107 0.695 570 Q N -0.410 118.824 119.800 -0.945 0.000 2.678 570 Q HA -0.054 4.061 4.340 -0.375 0.000 0.222 570 Q C -1.363 174.127 176.000 -0.850 0.000 1.281 570 Q CA -0.242 55.168 55.803 -0.656 0.000 0.994 570 Q CB -0.896 27.559 28.738 -0.472 0.000 1.452 570 Q HN -0.049 7.673 8.270 -0.876 0.023 0.570 571 F N 3.657 123.645 119.950 0.064 0.000 2.419 571 F HA 0.173 4.817 4.527 0.050 -0.087 0.283 571 F C 0.227 176.097 175.800 0.116 0.000 1.044 571 F CA 0.414 58.491 58.000 0.128 0.000 1.376 571 F CB 1.448 40.644 39.000 0.327 0.000 1.131 571 F HN -0.299 7.822 8.300 -0.250 0.029 0.585 572 D N -3.158 117.393 120.400 0.252 0.000 4.556 572 D HA -0.368 4.369 4.640 0.162 0.000 0.303 572 D C -0.110 176.335 176.300 0.242 0.000 2.368 572 D CA 1.341 55.449 54.000 0.180 0.000 1.145 572 D CB 0.470 41.317 40.800 0.078 0.000 1.097 572 D HN 0.039 8.589 8.370 0.300 0.000 1.280 573 T N -5.943 108.707 114.554 0.160 0.000 3.001 573 T HA 0.070 4.564 4.350 0.240 0.000 0.251 573 T C -0.085 174.669 174.700 0.090 0.000 1.040 573 T CA 1.525 63.720 62.100 0.158 0.000 0.985 573 T CB 0.462 69.403 68.868 0.123 0.000 1.011 573 T HN 0.025 8.331 8.240 0.110 0.000 0.509 574 D N 2.202 122.637 120.400 0.058 0.000 2.162 574 D HA 0.009 4.660 4.640 0.019 0.000 0.205 574 D C 0.750 177.047 176.300 -0.004 0.000 0.964 574 D CA 2.333 56.346 54.000 0.021 0.000 0.847 574 D CB 0.395 41.202 40.800 0.011 0.000 0.988 574 D HN -0.198 8.534 8.370 0.065 -0.323 0.480 575 E N -0.923 119.276 120.200 -0.001 0.000 2.685 575 E HA 0.216 4.535 4.350 -0.051 0.000 0.208 575 E C 0.632 177.201 176.600 -0.052 0.000 0.996 575 E CA -0.900 55.480 56.400 -0.035 0.000 1.054 575 E CB 0.355 30.033 29.700 -0.037 0.000 1.075 575 E HN -0.292 8.086 8.360 0.031 0.000 0.460 576 V N 0.872 120.722 119.914 -0.107 0.000 2.277 576 V HA -0.551 3.490 4.120 -0.132 0.000 0.256 576 V C 1.251 177.154 176.094 -0.319 0.000 1.069 576 V CA 3.554 65.627 62.300 -0.378 0.000 1.096 576 V CB -0.166 31.245 31.823 -0.687 0.000 0.741 576 V HN -0.056 7.982 8.190 -0.067 0.112 0.470 577 N N -3.672 114.859 118.700 -0.282 0.000 2.853 577 N HA -0.344 4.315 4.740 -0.134 0.000 0.239 577 N C -1.350 174.128 175.510 -0.052 0.000 0.967 577 N CA 1.882 54.846 53.050 -0.143 0.000 0.973 577 N CB -0.435 37.993 38.487 -0.097 0.000 1.104 577 N HN 0.281 8.489 8.380 -0.287 0.000 0.602 578 F N -3.829 116.220 119.950 0.166 0.000 2.375 578 F HA 0.570 5.413 4.527 0.526 0.000 0.333 578 F C -1.953 173.947 175.800 0.168 0.000 1.104 578 F CA -3.817 54.342 58.000 0.266 0.000 1.149 578 F CB -0.492 38.603 39.000 0.158 0.000 1.190 578 F HN -0.531 7.124 8.300 -0.880 0.118 0.533 579 P HA 0.039 4.542 4.420 0.139 0.000 0.272 579 P C -1.696 175.748 177.300 0.241 0.000 1.223 579 P CA -0.493 62.736 63.100 0.215 0.000 0.784 579 P CB 0.921 32.708 31.700 0.144 0.000 0.923 580 V N -7.879 112.112 119.914 0.129 0.000 3.028 580 V HA 0.414 4.584 4.120 0.084 0.000 0.418 580 V C -1.887 174.206 176.094 -0.002 0.000 1.433 580 V CA -0.816 61.531 62.300 0.078 0.000 1.543 580 V CB 1.686 33.566 31.823 0.094 0.000 1.329 580 V HN -0.141 8.098 8.190 0.082 0.000 0.646 581 D N 1.303 121.708 120.400 0.008 0.000 2.723 581 D HA 0.183 4.810 4.640 -0.022 0.000 0.205 581 D C 0.706 177.000 176.300 -0.009 0.000 1.295 581 D CA -0.113 53.884 54.000 -0.006 0.000 1.112 581 D CB 1.345 42.150 40.800 0.008 0.000 1.193 581 D HN -0.165 8.224 8.370 0.033 0.000 0.610 582 N N -0.329 118.369 118.700 -0.004 0.000 2.036 582 N HA -0.287 4.672 4.740 -0.013 -0.226 0.199 582 N C 1.696 177.218 175.510 0.021 0.000 1.036 582 N CA 2.498 55.548 53.050 0.000 0.000 0.870 582 N CB 0.044 38.533 38.487 0.003 0.000 1.055 582 N HN 0.072 8.451 8.380 -0.001 0.000 0.436 583 L N -4.650 116.588 121.223 0.024 0.000 6.593 583 L HA -0.495 3.854 4.340 0.014 0.000 0.053 583 L C -0.868 176.048 176.870 0.077 0.000 1.816 583 L CA 1.744 56.605 54.840 0.035 0.000 1.701 583 L CB -0.638 41.440 42.059 0.031 0.000 2.696 583 L HN -0.283 7.956 8.230 0.015 0.000 1.037 584 C N -2.446 116.935 119.300 0.136 0.000 2.571 584 C HA 0.246 4.807 4.460 0.167 0.000 0.343 584 C C -0.502 174.616 174.990 0.214 0.000 1.082 584 C CA -0.881 58.257 59.018 0.200 0.000 1.339 584 C CB 0.800 28.713 27.740 0.289 0.000 1.893 584 C HN -0.218 8.094 8.230 0.137 0.000 0.445 585 F N 7.411 127.395 119.950 0.056 0.000 2.333 585 F HA -0.232 4.317 4.527 0.037 0.000 0.300 585 F C 0.692 176.532 175.800 0.067 0.000 1.083 585 F CA 3.467 61.500 58.000 0.054 0.000 1.395 585 F CB 0.692 39.727 39.000 0.058 0.000 1.056 585 F HN -0.269 8.223 8.300 0.319 0.000 0.529 586 V N -6.144 113.767 119.914 -0.004 0.000 0.572 586 V HA -0.558 3.517 4.120 -0.075 0.000 0.092 586 V C -0.066 176.012 176.094 -0.028 0.000 1.935 586 V CA 2.472 64.705 62.300 -0.112 0.000 3.442 586 V CB -0.482 31.171 31.823 -0.282 0.000 0.733 586 V HN 0.002 8.193 8.190 0.105 0.061 0.760 587 G N -5.092 103.643 108.800 -0.109 0.000 2.359 587 G HA2 -0.041 4.312 3.960 0.654 0.000 0.314 587 G HA3 -0.041 4.168 3.960 0.213 -0.121 0.314 587 G C -2.354 172.627 174.900 0.135 0.000 1.364 587 G CA -0.831 44.391 45.100 0.203 0.000 0.978 587 G HN -0.500 7.459 8.290 -0.465 0.052 0.615 588 L N 0.037 121.498 121.223 0.396 0.000 2.260 588 L HA 0.181 4.657 4.340 0.226 0.000 0.289 588 L C 0.510 177.469 176.870 0.147 0.000 1.057 588 L CA -0.517 54.503 54.840 0.299 0.000 0.811 588 L CB 0.732 43.028 42.059 0.394 0.000 1.184 588 L HN 0.058 8.667 8.230 0.631 0.000 0.429 589 I N 4.292 124.874 120.570 0.019 0.000 2.293 589 I HA 0.018 4.114 4.170 -0.123 0.000 0.280 589 I C -0.457 175.642 176.117 -0.029 0.000 1.075 589 I CA -0.858 60.371 61.300 -0.118 0.000 1.702 589 I CB -2.253 35.503 38.000 -0.407 0.000 1.477 589 I HN 0.447 8.686 8.210 0.049 0.000 0.733 590 S N 2.461 118.197 115.700 0.060 0.000 2.641 590 S HA 0.114 4.637 4.470 0.088 0.000 0.261 590 S C -0.732 173.904 174.600 0.060 0.000 1.257 590 S CA -0.572 57.682 58.200 0.089 0.000 0.983 590 S CB 1.469 64.752 63.200 0.137 0.000 0.990 590 S HN -0.635 7.667 8.310 0.087 0.060 0.572 591 M N -1.570 118.078 119.600 0.080 0.000 2.744 591 M HA 0.437 4.983 4.480 0.009 -0.060 0.283 591 M C -1.371 174.989 176.300 0.100 0.000 1.275 591 M CA -0.553 54.777 55.300 0.049 0.000 0.796 591 M CB 4.643 37.263 32.600 0.033 0.000 1.739 591 M HN -0.089 8.258 8.290 0.096 0.000 0.454 592 I N -2.130 118.462 120.570 0.037 0.000 3.294 592 I HA 0.240 4.479 4.170 0.115 0.000 0.311 592 I C -1.775 174.360 176.117 0.030 0.000 1.111 592 I CA -2.367 58.971 61.300 0.063 0.000 0.976 592 I CB 3.567 41.588 38.000 0.034 0.000 1.260 592 I HN -0.262 7.946 8.210 -0.004 0.000 0.474 593 D N 0.873 121.292 120.400 0.032 0.000 2.464 593 D HA 0.433 5.083 4.640 0.016 0.000 0.272 593 D C -1.938 174.372 176.300 0.017 0.000 1.224 593 D CA 0.072 54.084 54.000 0.021 0.000 1.118 593 D CB 0.595 41.408 40.800 0.022 0.000 1.710 593 D HN 0.133 8.530 8.370 0.045 0.000 0.479 594 P HA 0.278 4.705 4.420 0.011 0.000 0.271 594 P C -1.895 175.413 177.300 0.013 0.000 1.218 594 P CA -0.404 62.706 63.100 0.016 0.000 0.780 594 P CB -0.566 31.145 31.700 0.020 0.000 0.901 595 P HA 0.000 4.416 4.420 -0.007 0.000 0.216 595 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 595 P CB 0.000 31.698 31.700 -0.003 0.000 0.726