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 1mo7_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 4.351 4.340 0.018 0.000 0.214 383 Q C 0.000 176.013 176.000 0.021 0.000 1.003 383 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 383 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 384 N N 0.798 119.512 118.700 0.023 0.000 2.381 384 N HA 0.386 5.139 4.740 0.022 0.000 0.294 384 N C -1.848 173.679 175.510 0.027 0.000 1.216 384 N CA -1.466 51.598 53.050 0.023 0.000 0.803 384 N CB 0.145 38.645 38.487 0.022 0.000 1.372 384 N HN 0.040 8.435 8.380 0.025 0.000 0.500 385 P HA 0.051 4.491 4.420 0.035 0.000 0.274 385 P C -1.110 176.209 177.300 0.032 0.000 1.231 385 P CA -0.215 62.904 63.100 0.031 0.000 0.790 385 P CB 0.669 32.386 31.700 0.029 0.000 0.951 386 M N 1.276 120.898 119.600 0.037 0.000 2.704 386 M HA 0.298 4.800 4.480 0.036 0.000 0.284 386 M C -1.573 174.752 176.300 0.042 0.000 1.275 386 M CA -0.186 55.138 55.300 0.040 0.000 0.811 386 M CB 3.556 36.183 32.600 0.046 0.000 1.741 386 M HN 0.007 8.322 8.290 0.041 0.000 0.458 387 T N -1.948 112.632 114.554 0.043 0.000 2.676 387 T HA 0.117 4.499 4.350 0.054 0.000 0.299 387 T C -0.681 174.048 174.700 0.048 0.000 1.657 387 T CA -1.146 60.980 62.100 0.045 0.000 0.985 387 T CB 1.699 70.587 68.868 0.033 0.000 1.926 387 T HN -0.230 8.037 8.240 0.045 0.000 0.456 388 V N 2.810 122.750 119.914 0.044 0.000 2.332 388 V HA -0.425 3.732 4.120 0.062 0.000 0.248 388 V C 0.844 176.961 176.094 0.039 0.000 1.055 388 V CA 3.411 65.739 62.300 0.047 0.000 1.038 388 V CB 0.056 31.906 31.823 0.046 0.000 0.651 388 V HN 0.621 8.836 8.190 0.042 0.000 0.450 389 A N -2.772 120.035 122.820 -0.022 0.000 1.282 389 A HA -0.449 3.751 4.320 -0.201 0.000 0.224 389 A C -0.752 176.626 177.584 -0.342 0.000 0.457 389 A CA 1.731 53.686 52.037 -0.137 0.000 1.095 389 A CB -1.399 17.614 19.000 0.022 0.000 1.470 389 A HN 0.265 8.388 8.150 -0.028 0.011 0.723 390 H N -1.809 117.300 119.070 0.066 0.000 2.933 390 H HA 0.356 4.960 4.556 0.080 0.000 0.310 390 H C -2.035 173.340 175.328 0.078 0.000 1.351 390 H CA -0.677 55.416 56.048 0.075 0.000 1.137 390 H CB 3.777 33.581 29.762 0.072 0.000 1.853 390 H HN -0.116 8.171 8.280 0.125 0.068 0.539 391 M N -6.101 113.654 119.600 0.259 0.000 2.569 391 M HA 0.297 5.038 4.480 0.182 -0.152 0.279 391 M C -2.954 173.503 176.300 0.262 0.000 1.253 391 M CA -0.582 54.835 55.300 0.196 0.000 0.867 391 M CB 3.992 36.629 32.600 0.062 0.000 1.727 391 M HN 0.225 8.701 8.290 0.309 0.000 0.467 392 W N 0.035 121.350 121.300 0.025 0.000 2.998 392 W HA 0.266 4.812 4.660 -0.190 0.000 0.335 392 W C -2.269 174.217 176.519 -0.054 0.000 1.110 392 W CA -0.843 56.446 57.345 -0.093 0.000 1.230 392 W CB 3.585 32.972 29.460 -0.121 0.000 1.405 392 W HN 0.669 8.935 8.180 0.329 0.112 0.493 393 F N 1.101 120.484 119.950 -0.945 0.000 2.466 393 F HA 0.184 4.044 4.527 -1.111 0.000 0.421 393 F C -1.210 173.925 175.800 -1.109 0.000 0.838 393 F CA 0.570 57.967 58.000 -1.006 0.000 0.867 393 F CB 0.562 39.181 39.000 -0.635 0.000 1.150 393 F HN -0.048 7.266 8.300 -1.643 0.000 0.583 394 D N 1.163 120.282 120.400 -2.134 0.000 2.378 394 D HA -0.170 3.787 4.640 -1.138 0.000 0.227 394 D C 0.396 176.144 176.300 -0.919 0.000 1.012 394 D CA 1.308 54.443 54.000 -1.443 0.000 0.905 394 D CB 0.247 40.156 40.800 -1.485 0.000 0.895 394 D HN -0.098 6.461 8.370 -3.018 0.000 0.532 395 N N -4.396 113.595 118.700 -1.182 0.000 2.952 395 N HA -0.322 3.953 4.740 -0.775 0.000 0.245 395 N C -2.143 173.264 175.510 -0.171 0.000 1.029 395 N CA 1.214 53.890 53.050 -0.623 0.000 0.870 395 N CB -0.813 37.513 38.487 -0.269 0.000 1.121 395 N HN -0.072 7.055 8.380 -1.930 0.095 0.559 396 Q N -7.782 111.840 119.800 -0.297 0.000 1.804 396 Q HA -0.004 4.397 4.340 0.102 0.000 0.181 396 Q C -0.900 175.080 176.000 -0.034 0.000 0.815 396 Q CA -0.526 55.246 55.803 -0.052 0.000 0.870 396 Q CB 0.660 29.345 28.738 -0.089 0.000 1.250 396 Q HN -0.526 7.253 8.270 -0.762 0.034 0.386 397 I N -3.269 117.304 120.570 0.006 0.000 9.322 397 I HA -0.486 3.845 4.170 0.107 -0.097 0.131 397 I C -1.740 174.317 176.117 -0.100 0.000 1.859 397 I CA 1.837 63.156 61.300 0.031 0.000 2.056 397 I CB -0.869 37.185 38.000 0.090 0.000 3.976 397 I HN -0.263 7.943 8.210 -0.008 0.000 0.176 398 H N 0.320 119.315 119.070 -0.125 0.000 2.948 398 H HA 0.233 4.717 4.556 -0.120 0.000 0.315 398 H C -1.769 173.606 175.328 0.077 0.000 1.360 398 H CA -1.585 54.414 56.048 -0.081 0.000 1.125 398 H CB 3.695 33.395 29.762 -0.104 0.000 1.844 398 H HN 0.057 8.415 8.280 0.130 0.000 0.529 399 E N -0.336 119.856 120.200 -0.013 0.000 2.392 399 E HA 0.043 4.457 4.350 0.106 0.000 0.256 399 E C -1.458 175.273 176.600 0.218 0.000 1.145 399 E CA -0.082 56.365 56.400 0.079 0.000 0.929 399 E CB 0.669 30.365 29.700 -0.006 0.000 0.998 399 E HN 0.154 8.262 8.360 -0.420 0.000 0.442 400 A N 2.367 125.290 122.820 0.171 0.000 1.852 400 A HA 0.062 4.513 4.320 0.218 0.000 0.205 400 A C -0.922 176.710 177.584 0.080 0.000 1.757 400 A CA 0.323 52.454 52.037 0.158 0.000 1.088 400 A CB 0.496 19.575 19.000 0.132 0.000 1.079 400 A HN 0.202 8.431 8.150 0.132 0.000 0.524 401 D N -2.204 118.227 120.400 0.051 0.000 6.041 401 D HA -0.166 4.486 4.640 0.020 0.000 0.239 401 D C -1.263 175.040 176.300 0.005 0.000 1.667 401 D CA -0.074 53.937 54.000 0.018 0.000 1.478 401 D CB 0.747 41.548 40.800 0.001 0.000 0.683 401 D HN -0.278 8.133 8.370 0.068 0.000 0.375 402 T N 0.774 115.323 114.554 -0.008 0.000 2.751 402 T HA -0.187 4.155 4.350 -0.013 0.000 0.279 402 T C 0.663 175.360 174.700 -0.005 0.000 0.941 402 T CA 0.484 62.577 62.100 -0.013 0.000 1.192 402 T CB -0.135 68.720 68.868 -0.023 0.000 0.883 402 T HN 0.085 8.319 8.240 -0.010 0.000 0.534 403 T N 3.192 117.746 114.554 0.000 0.000 3.121 403 T HA -0.065 4.282 4.350 -0.005 0.000 0.256 403 T C -0.520 174.179 174.700 -0.002 0.000 0.942 403 T CA 0.394 62.493 62.100 -0.001 0.000 1.158 403 T CB -0.081 68.788 68.868 0.003 0.000 0.963 403 T HN 0.317 8.561 8.240 0.006 0.000 0.660 404 E N 5.710 125.908 120.200 -0.004 0.000 3.935 404 E HA -0.026 4.322 4.350 -0.003 0.000 0.244 404 E C 0.337 176.934 176.600 -0.005 0.000 1.295 404 E CA 0.188 56.586 56.400 -0.004 0.000 1.728 404 E CB 0.810 30.509 29.700 -0.002 0.000 1.750 404 E HN 0.205 8.562 8.360 -0.005 0.000 0.721 405 N N 0.415 119.112 118.700 -0.005 0.000 2.131 405 N HA -0.058 4.679 4.740 -0.005 0.000 0.190 405 N C 0.525 176.030 175.510 -0.008 0.000 1.055 405 N CA 1.263 54.310 53.050 -0.005 0.000 0.853 405 N CB 0.511 38.996 38.487 -0.003 0.000 1.035 405 N HN 0.178 8.555 8.380 -0.004 0.000 0.440 406 Q N -1.466 118.329 119.800 -0.009 0.000 2.272 406 Q HA 0.235 4.567 4.340 -0.014 0.000 0.192 406 Q C -1.156 174.833 176.000 -0.017 0.000 1.059 406 Q CA -0.416 55.380 55.803 -0.013 0.000 1.084 406 Q CB 1.482 30.213 28.738 -0.012 0.000 1.139 406 Q HN 0.107 8.373 8.270 -0.006 0.000 0.593 407 S N -2.070 113.614 115.700 -0.026 0.000 2.548 407 S HA 0.397 4.974 4.470 -0.030 -0.125 0.276 407 S C -0.520 174.047 174.600 -0.055 0.000 1.129 407 S CA -1.058 57.120 58.200 -0.036 0.000 0.931 407 S CB 2.805 65.983 63.200 -0.038 0.000 1.068 407 S HN -0.105 8.189 8.310 -0.027 0.000 0.480 408 G N 2.084 110.842 108.800 -0.070 0.000 2.403 408 G HA2 0.087 3.995 3.960 -0.088 0.000 0.259 408 G HA3 0.087 4.094 3.960 -0.105 -0.110 0.259 408 G C -1.543 173.241 174.900 -0.194 0.000 1.244 408 G CA 0.137 45.171 45.100 -0.110 0.000 0.849 408 G HN 0.123 8.432 8.290 -0.056 -0.053 0.532 409 V N 0.685 120.474 119.914 -0.209 0.000 3.202 409 V HA 0.238 4.130 4.120 -0.379 0.000 0.306 409 V C -0.524 175.450 176.094 -0.200 0.000 1.283 409 V CA -2.007 60.146 62.300 -0.245 0.000 1.065 409 V CB 2.969 34.713 31.823 -0.131 0.000 1.079 409 V HN -0.424 7.670 8.190 -0.160 0.000 0.448 410 S N 0.812 116.434 115.700 -0.130 0.000 3.641 410 S HA -0.235 4.281 4.470 0.077 0.000 0.346 410 S C -0.744 173.931 174.600 0.125 0.000 1.074 410 S CA 0.753 58.965 58.200 0.019 0.000 1.026 410 S CB -1.164 62.042 63.200 0.009 0.000 0.908 410 S HN 0.128 8.355 8.310 -0.139 0.000 0.479 411 F N -1.497 118.462 119.950 0.016 0.000 2.239 411 F HA 0.117 4.604 4.527 -0.065 0.000 0.288 411 F C -0.362 175.489 175.800 0.085 0.000 1.225 411 F CA -3.509 54.492 58.000 0.002 0.000 1.162 411 F CB -0.220 38.767 39.000 -0.021 0.000 1.484 411 F HN -0.682 7.563 8.300 -0.050 0.025 0.512 412 D N 1.344 121.909 120.400 0.275 0.000 2.352 412 D HA -0.084 4.650 4.640 0.157 0.000 0.245 412 D C -0.495 175.735 176.300 -0.117 0.000 1.224 412 D CA -0.692 53.380 54.000 0.119 0.000 0.879 412 D CB 0.100 40.961 40.800 0.102 0.000 1.057 412 D HN 0.166 8.705 8.370 0.280 0.000 0.491 413 K N 7.442 127.840 120.400 -0.003 0.000 2.155 413 K HA 0.029 4.052 4.320 -0.494 0.000 0.240 413 K C 0.359 176.889 176.600 -0.117 0.000 1.193 413 K CA -0.137 56.093 56.287 -0.095 0.000 1.104 413 K CB -1.060 31.587 32.500 0.244 0.000 1.558 413 K HN 0.287 8.626 8.250 0.148 0.000 0.313 414 T N 1.610 116.024 114.554 -0.234 0.000 2.942 414 T HA -0.024 4.251 4.350 -0.124 0.000 0.265 414 T C 1.277 175.811 174.700 -0.278 0.000 1.062 414 T CA 1.279 63.245 62.100 -0.224 0.000 1.139 414 T CB 0.583 69.241 68.868 -0.351 0.000 0.883 414 T HN 0.020 8.013 8.240 -0.338 0.045 0.468 415 S N 1.572 117.066 115.700 -0.344 0.000 2.131 415 S HA -0.549 3.706 4.470 -0.358 0.000 0.210 415 S C 1.085 175.090 174.600 -0.992 0.000 1.176 415 S CA 2.423 60.272 58.200 -0.585 0.000 1.784 415 S CB -0.700 62.148 63.200 -0.587 0.000 2.458 415 S HN 0.282 8.409 8.310 -0.304 0.000 0.601 416 A N -0.046 122.362 122.820 -0.688 0.000 1.908 416 A HA -0.208 3.755 4.320 -0.594 0.000 0.218 416 A C 1.199 178.638 177.584 -0.243 0.000 1.181 416 A CA 3.484 55.245 52.037 -0.461 0.000 0.627 416 A CB -0.675 18.219 19.000 -0.177 0.000 0.818 416 A HN 0.201 7.980 8.150 -0.478 0.084 0.445 417 T N -0.569 113.843 114.554 -0.237 0.000 2.746 417 T HA -0.397 3.896 4.350 -0.094 0.000 0.267 417 T C 1.376 175.951 174.700 -0.209 0.000 1.039 417 T CA 4.855 66.842 62.100 -0.188 0.000 1.142 417 T CB -0.264 68.492 68.868 -0.188 0.000 0.866 417 T HN 0.000 8.077 8.240 -0.273 0.000 0.444 418 W N 2.227 123.219 121.300 -0.515 0.000 2.315 418 W HA -0.462 3.887 4.660 -0.519 0.000 0.323 418 W C 1.550 178.008 176.519 -0.101 0.000 1.233 418 W CA 2.509 59.598 57.345 -0.426 0.000 1.267 418 W CB 0.031 29.229 29.460 -0.436 0.000 1.160 418 W HN -0.428 7.475 8.180 -0.328 0.080 0.474 419 F N -2.940 117.098 119.950 0.146 0.000 2.095 419 F HA -0.519 4.021 4.527 0.022 0.000 0.298 419 F C 2.480 178.332 175.800 0.086 0.000 1.104 419 F CA 1.485 59.525 58.000 0.067 0.000 1.232 419 F CB -1.610 37.412 39.000 0.037 0.000 0.987 419 F HN 0.365 8.593 8.300 -0.119 0.000 0.475 420 A N -0.387 122.600 122.820 0.279 0.000 1.908 420 A HA -0.244 4.266 4.320 0.317 0.000 0.218 420 A C 2.199 179.828 177.584 0.075 0.000 1.181 420 A CA 2.679 54.843 52.037 0.211 0.000 0.627 420 A CB -0.350 18.742 19.000 0.153 0.000 0.818 420 A HN -0.171 8.116 8.150 0.229 0.000 0.445 421 L N -1.395 119.855 121.223 0.045 0.000 2.044 421 L HA -0.268 4.038 4.340 -0.056 0.000 0.205 421 L C 1.831 178.756 176.870 0.093 0.000 1.075 421 L CA 2.245 57.087 54.840 0.004 0.000 0.747 421 L CB -0.480 41.524 42.059 -0.092 0.000 0.903 421 L HN -0.254 7.912 8.230 0.076 0.110 0.435 422 S N -0.009 115.820 115.700 0.216 0.000 2.387 422 S HA -0.407 4.163 4.470 0.168 0.000 0.230 422 S C 2.342 176.994 174.600 0.087 0.000 1.035 422 S CA 4.262 62.561 58.200 0.165 0.000 1.014 422 S CB -0.396 62.881 63.200 0.127 0.000 0.836 422 S HN 0.495 8.884 8.310 0.316 0.111 0.466 423 R N 0.411 120.976 120.500 0.107 0.000 2.152 423 R HA -0.272 4.092 4.340 0.041 0.000 0.232 423 R C 2.525 178.838 176.300 0.022 0.000 1.117 423 R CA 3.048 59.192 56.100 0.074 0.000 0.981 423 R CB -0.223 30.168 30.300 0.152 0.000 0.870 423 R HN -0.166 8.090 8.270 0.151 0.104 0.451 424 I N -1.114 119.505 120.570 0.081 0.000 2.270 424 I HA -0.325 3.891 4.170 0.076 0.000 0.239 424 I C 1.386 177.602 176.117 0.165 0.000 1.080 424 I CA 3.132 64.510 61.300 0.130 0.000 1.383 424 I CB -0.014 38.119 38.000 0.221 0.000 1.097 424 I HN -0.385 7.730 8.210 0.094 0.151 0.420 425 A N -1.836 121.060 122.820 0.126 0.000 2.125 425 A HA -0.238 4.207 4.320 0.207 0.000 0.219 425 A C 0.677 178.299 177.584 0.063 0.000 1.156 425 A CA 2.046 54.118 52.037 0.058 0.000 0.671 425 A CB -0.471 18.445 19.000 -0.139 0.000 0.794 425 A HN 0.344 8.432 8.150 0.082 0.111 0.459 426 G N -2.094 106.722 108.800 0.026 0.000 2.624 426 G HA2 0.080 4.041 3.960 0.001 0.000 0.216 426 G HA3 0.080 4.023 3.960 -0.028 0.000 0.216 426 G C 0.481 175.353 174.900 -0.046 0.000 1.274 426 G CA 0.277 45.370 45.100 -0.011 0.000 0.856 426 G HN -0.334 7.930 8.290 0.024 0.041 0.555 427 L N -1.125 120.014 121.223 -0.141 0.000 1.971 427 L HA -0.270 3.912 4.340 -0.263 0.000 0.215 427 L C 1.071 177.862 176.870 -0.131 0.000 1.072 427 L CA 2.178 56.858 54.840 -0.266 0.000 0.758 427 L CB 0.204 41.916 42.059 -0.578 0.000 0.889 427 L HN -0.234 7.898 8.230 -0.162 0.000 0.433 428 C N -0.107 119.166 119.300 -0.045 0.000 2.896 428 C HA -0.082 4.380 4.460 0.003 0.000 0.499 428 C C -1.791 173.234 174.990 0.058 0.000 1.022 428 C CA -0.302 58.726 59.018 0.017 0.000 1.127 428 C CB -2.324 25.443 27.740 0.046 0.000 1.452 428 C HN -0.180 8.031 8.230 -0.031 0.000 0.580 429 N N 2.715 121.434 118.700 0.030 0.000 2.484 429 N HA 0.194 5.090 4.740 0.044 -0.129 0.269 429 N C -1.760 173.755 175.510 0.009 0.000 1.237 429 N CA -0.247 52.822 53.050 0.032 0.000 0.838 429 N CB 3.059 41.566 38.487 0.032 0.000 1.593 429 N HN -0.249 8.097 8.380 0.009 0.041 0.485 430 R N 1.046 121.549 120.500 0.005 0.000 2.782 430 R HA 0.224 4.562 4.340 -0.004 0.000 0.293 430 R C -2.111 174.184 176.300 -0.008 0.000 1.333 430 R CA -0.765 55.334 56.100 -0.001 0.000 1.479 430 R CB 0.347 30.648 30.300 0.001 0.000 1.306 430 R HN 0.056 8.488 8.270 0.012 -0.154 0.654 431 A N -0.770 122.031 122.820 -0.032 0.000 2.587 431 A HA 0.825 5.258 4.320 -0.035 -0.134 0.293 431 A C -1.932 175.579 177.584 -0.120 0.000 1.087 431 A CA -1.267 50.736 52.037 -0.057 0.000 0.692 431 A CB 3.557 22.526 19.000 -0.052 0.000 1.291 431 A HN -0.188 8.258 8.150 -0.041 -0.320 0.407 432 V N -4.681 115.150 119.914 -0.140 0.000 3.160 432 V HA 0.536 4.436 4.120 -0.367 0.000 0.310 432 V C -1.714 174.242 176.094 -0.231 0.000 1.181 432 V CA -2.549 59.620 62.300 -0.217 0.000 1.047 432 V CB 3.196 34.977 31.823 -0.071 0.000 1.068 432 V HN 0.552 8.586 8.190 -0.088 0.103 0.441 433 F N -0.193 119.771 119.950 0.024 0.000 2.490 433 F HA 0.279 4.937 4.527 0.022 -0.118 0.336 433 F C 0.458 176.270 175.800 0.020 0.000 1.178 433 F CA 0.869 58.881 58.000 0.021 0.000 1.301 433 F CB 0.444 39.454 39.000 0.017 0.000 1.175 433 F HN 0.119 8.284 8.300 -0.224 0.000 0.593 434 Q N 1.536 121.470 119.800 0.224 0.000 2.377 434 Q HA 0.009 4.414 4.340 0.109 0.000 0.193 434 Q C 0.243 176.313 176.000 0.118 0.000 0.986 434 Q CA 0.722 56.604 55.803 0.132 0.000 0.851 434 Q CB 0.936 29.729 28.738 0.092 0.000 0.986 434 Q HN 0.503 8.839 8.270 0.260 0.090 0.559 435 A N 0.920 123.798 122.820 0.097 0.000 2.376 435 A HA -0.039 4.303 4.320 0.037 0.000 0.298 435 A C -0.459 177.131 177.584 0.010 0.000 1.271 435 A CA -0.259 51.806 52.037 0.047 0.000 0.926 435 A CB -0.407 18.612 19.000 0.031 0.000 1.141 435 A HN -0.169 8.047 8.150 0.111 0.000 0.539 436 N N 2.298 120.986 118.700 -0.020 0.000 2.416 436 N HA -0.133 4.454 4.740 -0.255 0.000 0.246 436 N C -0.245 175.203 175.510 -0.104 0.000 1.260 436 N CA 0.189 53.167 53.050 -0.120 0.000 0.897 436 N CB 0.748 39.185 38.487 -0.082 0.000 1.110 436 N HN 0.039 8.425 8.380 0.009 0.000 0.439 437 Q N 1.172 120.887 119.800 -0.143 0.000 2.857 437 Q HA 0.462 4.762 4.340 -0.068 0.000 0.319 437 Q C -1.645 174.297 176.000 -0.096 0.000 0.963 437 Q CA -0.319 55.424 55.803 -0.100 0.000 0.770 437 Q CB 2.536 31.217 28.738 -0.094 0.000 1.492 437 Q HN 0.178 8.327 8.270 -0.202 0.000 0.493 438 E N -1.112 119.047 120.200 -0.069 0.000 2.941 438 E HA 0.055 4.365 4.350 -0.066 0.000 0.180 438 E C 0.011 176.580 176.600 -0.052 0.000 1.130 438 E CA -0.328 56.037 56.400 -0.058 0.000 1.243 438 E CB 0.823 30.498 29.700 -0.041 0.000 1.582 438 E HN -0.068 8.257 8.360 -0.058 0.000 0.499 439 N N -0.483 118.194 118.700 -0.040 0.000 2.236 439 N HA 0.045 4.765 4.740 -0.033 0.000 0.196 439 N C -0.606 174.886 175.510 -0.029 0.000 1.114 439 N CA 0.120 53.151 53.050 -0.031 0.000 0.859 439 N CB 0.964 39.437 38.487 -0.023 0.000 0.982 439 N HN -0.126 8.233 8.380 -0.036 0.000 0.493 440 L N 0.780 121.983 121.223 -0.034 0.000 2.492 440 L HA 0.476 4.805 4.340 -0.018 0.000 0.263 440 L C -2.053 174.801 176.870 -0.026 0.000 1.062 440 L CA -3.008 51.816 54.840 -0.025 0.000 0.817 440 L CB -0.303 41.742 42.059 -0.024 0.000 1.441 440 L HN -0.242 8.168 8.230 -0.045 -0.207 0.493 441 P HA 0.017 4.435 4.420 -0.004 0.000 0.271 441 P C -0.445 176.848 177.300 -0.012 0.000 1.220 441 P CA -0.502 62.596 63.100 -0.003 0.000 0.768 441 P CB 0.614 32.323 31.700 0.014 0.000 0.848 442 I N 2.290 122.847 120.570 -0.022 0.000 2.399 442 I HA -0.422 3.646 4.170 -0.170 0.000 0.254 442 I C 0.344 176.489 176.117 0.047 0.000 1.146 442 I CA 1.771 63.028 61.300 -0.071 0.000 1.412 442 I CB 0.215 38.177 38.000 -0.063 0.000 1.076 442 I HN 0.314 8.516 8.210 -0.012 0.000 0.432 443 L N -0.981 120.308 121.223 0.111 0.000 1.943 443 L HA -0.170 4.306 4.340 0.227 0.000 0.215 443 L C 0.351 177.289 176.870 0.114 0.000 1.074 443 L CA 2.652 57.578 54.840 0.145 0.000 0.759 443 L CB -0.632 41.485 42.059 0.098 0.000 0.888 443 L HN -0.452 7.790 8.230 0.078 0.035 0.433 444 K N -2.426 118.012 120.400 0.063 0.000 2.884 444 K HA -0.386 3.955 4.320 0.035 0.000 0.247 444 K C -0.789 175.845 176.600 0.055 0.000 0.951 444 K CA 1.020 57.334 56.287 0.046 0.000 0.706 444 K CB -2.022 30.495 32.500 0.029 0.000 1.240 444 K HN -0.077 8.202 8.250 0.049 0.000 0.484 445 R N -8.747 111.791 120.500 0.064 0.000 3.502 445 R HA -0.378 3.999 4.340 0.062 0.000 0.266 445 R C -1.088 175.252 176.300 0.066 0.000 1.077 445 R CA 0.905 57.040 56.100 0.059 0.000 0.718 445 R CB -2.740 27.586 30.300 0.043 0.000 1.120 445 R HN 0.074 8.335 8.270 0.068 0.049 0.457 446 A N -1.462 121.414 122.820 0.093 0.000 2.978 446 A HA 0.400 4.765 4.320 0.075 0.000 0.341 446 A C -2.196 175.468 177.584 0.134 0.000 1.105 446 A CA -0.867 51.230 52.037 0.100 0.000 0.819 446 A CB 0.863 19.920 19.000 0.095 0.000 1.080 446 A HN 0.075 8.286 8.150 0.116 0.008 0.476 447 V N 1.249 121.216 119.914 0.087 0.000 3.007 447 V HA 0.504 4.788 4.120 0.068 -0.123 0.311 447 V C -1.671 174.444 176.094 0.034 0.000 1.120 447 V CA -1.569 60.764 62.300 0.054 0.000 0.980 447 V CB 4.834 36.669 31.823 0.020 0.000 1.033 447 V HN -0.060 8.171 8.190 0.068 0.000 0.429 448 A N 4.093 126.921 122.820 0.014 0.000 2.293 448 A HA 0.473 4.807 4.320 0.022 0.000 0.312 448 A C -1.464 176.119 177.584 -0.001 0.000 1.309 448 A CA -1.117 50.929 52.037 0.014 0.000 0.839 448 A CB 1.126 20.139 19.000 0.021 0.000 1.155 448 A HN 0.847 8.992 8.150 -0.008 0.000 0.501 449 G N 2.557 111.363 108.800 0.009 0.000 2.357 449 G HA2 -0.195 3.779 3.960 0.022 0.000 0.643 449 G HA3 -0.195 3.900 3.960 0.001 -0.135 0.643 449 G C -1.823 173.087 174.900 0.017 0.000 1.358 449 G CA -0.710 44.397 45.100 0.011 0.000 0.986 449 G HN -0.203 8.097 8.290 0.017 0.000 0.620 450 D N 0.549 120.966 120.400 0.028 0.000 2.455 450 D HA -0.032 4.631 4.640 0.039 0.000 0.241 450 D C 0.926 177.248 176.300 0.037 0.000 1.138 450 D CA 0.704 54.727 54.000 0.039 0.000 0.877 450 D CB 0.918 41.749 40.800 0.052 0.000 1.187 450 D HN 0.151 8.540 8.370 0.032 0.000 0.451 451 A N 4.309 127.154 122.820 0.041 0.000 2.238 451 A HA -0.010 4.333 4.320 0.038 0.000 0.208 451 A C 0.056 177.674 177.584 0.057 0.000 1.177 451 A CA 1.430 53.493 52.037 0.044 0.000 0.804 451 A CB -0.115 18.910 19.000 0.042 0.000 0.823 451 A HN 0.418 8.592 8.150 0.040 0.000 0.482 452 S N -2.419 113.319 115.700 0.063 0.000 2.439 452 S HA -0.079 4.449 4.470 0.095 0.000 0.224 452 S C 0.760 175.424 174.600 0.107 0.000 1.029 452 S CA 2.576 60.827 58.200 0.085 0.000 0.946 452 S CB 0.838 64.081 63.200 0.073 0.000 0.797 452 S HN -0.290 7.991 8.310 0.056 0.062 0.504 453 E N -0.200 120.049 120.200 0.081 0.000 2.340 453 E HA -0.084 4.361 4.350 0.159 0.000 0.194 453 E C 1.650 178.294 176.600 0.074 0.000 0.996 453 E CA 1.652 58.109 56.400 0.095 0.000 0.869 453 E CB 0.557 30.288 29.700 0.052 0.000 0.835 453 E HN -0.486 7.807 8.360 0.058 0.102 0.493 454 S N -0.384 115.337 115.700 0.034 0.000 2.428 454 S HA -0.201 4.230 4.470 -0.066 0.000 0.230 454 S C 1.280 175.877 174.600 -0.005 0.000 1.014 454 S CA 3.183 61.370 58.200 -0.021 0.000 0.957 454 S CB -0.195 62.986 63.200 -0.031 0.000 0.784 454 S HN -0.605 7.695 8.310 0.040 0.034 0.499 455 A N 2.683 125.531 122.820 0.047 0.000 1.859 455 A HA -0.307 4.047 4.320 0.056 0.000 0.217 455 A C 1.867 179.484 177.584 0.056 0.000 1.198 455 A CA 3.331 55.405 52.037 0.060 0.000 0.629 455 A CB -0.894 18.156 19.000 0.083 0.000 0.830 455 A HN -0.169 8.020 8.150 0.064 0.000 0.446 456 L N -2.801 118.458 121.223 0.060 0.000 2.012 456 L HA -0.339 4.022 4.340 0.035 0.000 0.210 456 L C 2.318 179.210 176.870 0.037 0.000 1.073 456 L CA 2.884 57.747 54.840 0.038 0.000 0.748 456 L CB -1.503 40.569 42.059 0.022 0.000 0.891 456 L HN -0.027 8.259 8.230 0.093 0.000 0.431 457 L N -2.234 118.993 121.223 0.006 0.000 2.013 457 L HA -0.415 3.917 4.340 -0.013 0.000 0.212 457 L C 1.499 178.386 176.870 0.029 0.000 1.073 457 L CA 3.332 58.148 54.840 -0.040 0.000 0.753 457 L CB -0.517 41.440 42.059 -0.171 0.000 0.890 457 L HN -0.763 7.368 8.230 0.004 0.102 0.432 458 K N -1.580 118.854 120.400 0.056 0.000 2.025 458 K HA -0.327 4.271 4.320 0.464 0.000 0.207 458 K C 2.517 179.222 176.600 0.175 0.000 1.049 458 K CA 3.584 60.008 56.287 0.228 0.000 0.933 458 K CB -0.444 32.193 32.500 0.229 0.000 0.714 458 K HN -0.573 7.677 8.250 0.007 0.004 0.438 459 C N -2.492 116.876 119.300 0.114 0.000 2.449 459 C HA -0.260 4.257 4.460 0.096 0.000 0.283 459 C C 1.484 176.525 174.990 0.084 0.000 1.453 459 C CA 3.258 62.336 59.018 0.100 0.000 1.779 459 C CB -0.271 27.530 27.740 0.102 0.000 1.779 459 C HN -0.276 8.012 8.230 0.096 0.000 0.546 460 I N -0.126 120.486 120.570 0.070 0.000 3.300 460 I HA -0.021 4.135 4.170 -0.024 0.000 0.279 460 I C 1.233 177.364 176.117 0.023 0.000 1.172 460 I CA 0.716 62.027 61.300 0.019 0.000 1.431 460 I CB -0.169 37.839 38.000 0.014 0.000 1.240 460 I HN -0.130 7.954 8.210 0.085 0.177 0.453 461 E N 2.186 122.438 120.200 0.088 0.000 2.023 461 E HA -0.297 4.103 4.350 0.082 0.000 0.196 461 E C 2.785 179.420 176.600 0.059 0.000 1.003 461 E CA 3.396 59.865 56.400 0.115 0.000 0.809 461 E CB -0.357 29.516 29.700 0.289 0.000 0.755 461 E HN 0.048 8.481 8.360 0.121 0.000 0.449 462 V N -0.027 119.923 119.914 0.060 0.000 2.913 462 V HA -0.253 3.866 4.120 -0.001 0.000 0.260 462 V C 0.968 177.060 176.094 -0.003 0.000 1.098 462 V CA 2.649 64.959 62.300 0.017 0.000 1.121 462 V CB 0.337 32.174 31.823 0.024 0.000 0.714 462 V HN -0.578 7.674 8.190 0.104 0.000 0.487 463 C N 0.032 119.324 119.300 -0.013 0.000 2.536 463 C HA -0.082 4.348 4.460 -0.050 0.000 0.285 463 C C 0.244 175.187 174.990 -0.077 0.000 1.371 463 C CA 0.492 59.475 59.018 -0.059 0.000 1.675 463 C CB -1.286 26.390 27.740 -0.106 0.000 1.689 463 C HN -0.536 7.506 8.230 0.004 0.190 0.589 464 C N -0.863 118.408 119.300 -0.047 0.000 4.265 464 C HA -0.333 4.167 4.460 -0.029 -0.058 0.287 464 C C 0.427 175.382 174.990 -0.059 0.000 1.451 464 C CA 1.434 60.424 59.018 -0.047 0.000 1.966 464 C CB -1.909 25.799 27.740 -0.052 0.000 1.302 464 C HN -0.014 7.996 8.230 -0.026 0.204 0.794 465 G N 1.556 110.317 108.800 -0.064 0.000 3.709 465 G HA2 0.071 3.972 3.960 -0.098 0.000 0.272 465 G HA3 0.071 4.001 3.960 -0.102 -0.031 0.272 465 G C -1.311 173.569 174.900 -0.033 0.000 1.259 465 G CA -0.925 44.128 45.100 -0.077 0.000 1.512 465 G HN -0.129 8.078 8.290 -0.054 0.050 0.625 466 S N 0.911 116.601 115.700 -0.016 0.000 4.176 466 S HA -0.472 4.015 4.470 0.028 0.000 0.501 466 S C 0.370 174.982 174.600 0.019 0.000 0.996 466 S CA 0.952 59.157 58.200 0.009 0.000 1.361 466 S CB -0.290 62.911 63.200 0.001 0.000 0.860 466 S HN -0.593 7.622 8.310 -0.028 0.078 0.534 467 V N 5.493 125.427 119.914 0.034 0.000 2.521 467 V HA -0.226 3.900 4.120 0.009 0.000 0.239 467 V C 1.227 177.338 176.094 0.028 0.000 1.053 467 V CA 3.176 65.489 62.300 0.022 0.000 1.073 467 V CB 0.762 32.594 31.823 0.014 0.000 0.746 467 V HN -0.347 7.876 8.190 0.055 0.000 0.476 468 M N -3.224 116.405 119.600 0.048 0.000 2.549 468 M HA -0.342 4.159 4.480 0.034 0.000 0.260 468 M C 0.550 176.879 176.300 0.047 0.000 1.076 468 M CA 2.833 58.162 55.300 0.049 0.000 1.090 468 M CB -0.148 32.496 32.600 0.074 0.000 1.418 468 M HN -0.396 7.936 8.290 0.071 0.000 0.486 469 E N -0.173 120.053 120.200 0.044 0.000 2.051 469 E HA -0.262 4.110 4.350 0.037 0.000 0.189 469 E C 1.565 178.199 176.600 0.056 0.000 0.979 469 E CA 2.054 58.478 56.400 0.040 0.000 0.803 469 E CB 0.343 30.060 29.700 0.028 0.000 0.761 469 E HN -0.378 7.949 8.360 0.044 0.059 0.451 470 M N -1.552 118.087 119.600 0.066 0.000 2.319 470 M HA -0.186 4.382 4.480 0.147 0.000 0.265 470 M C 1.863 178.252 176.300 0.149 0.000 1.068 470 M CA 3.091 58.468 55.300 0.128 0.000 1.118 470 M CB 0.117 32.791 32.600 0.124 0.000 1.395 470 M HN -0.787 7.447 8.290 0.048 0.085 0.435 471 R N -2.558 117.982 120.500 0.067 0.000 2.211 471 R HA -0.321 4.049 4.340 0.050 0.000 0.240 471 R C 1.463 177.843 176.300 0.132 0.000 1.144 471 R CA 2.627 58.773 56.100 0.078 0.000 0.992 471 R CB -0.876 29.457 30.300 0.055 0.000 0.869 471 R HN -0.318 7.958 8.270 0.043 0.020 0.462 472 E N -4.548 115.721 120.200 0.115 0.000 2.434 472 E HA 0.116 4.524 4.350 0.097 0.000 0.207 472 E C 0.222 176.875 176.600 0.089 0.000 0.929 472 E CA 0.086 56.542 56.400 0.093 0.000 1.001 472 E CB 0.993 30.728 29.700 0.057 0.000 1.016 472 E HN -0.414 7.848 8.360 0.096 0.155 0.502 473 K N 0.128 120.587 120.400 0.100 0.000 2.009 473 K HA -0.260 4.041 4.320 -0.030 0.000 0.210 473 K C 0.533 177.130 176.600 -0.004 0.000 1.049 473 K CA 2.567 58.867 56.287 0.021 0.000 0.929 473 K CB 0.491 32.998 32.500 0.011 0.000 0.714 473 K HN -0.584 7.647 8.250 0.116 0.088 0.440 474 Y N -4.720 115.594 120.300 0.024 0.000 2.340 474 Y HA 0.075 4.746 4.550 0.020 -0.109 0.327 474 Y C 0.460 176.421 175.900 0.101 0.000 1.321 474 Y CA 0.482 58.623 58.100 0.067 0.000 1.433 474 Y CB 1.288 39.813 38.460 0.108 0.000 1.373 474 Y HN -0.613 7.952 8.280 0.475 0.000 0.538 475 T N -1.172 113.526 114.554 0.240 0.000 3.037 475 T HA -0.018 4.387 4.350 0.091 0.000 0.252 475 T C 0.354 175.078 174.700 0.040 0.000 1.073 475 T CA -0.046 62.113 62.100 0.099 0.000 1.091 475 T CB 0.962 69.841 68.868 0.020 0.000 0.935 475 T HN 0.228 8.616 8.240 0.246 0.000 0.488 476 K N 0.524 120.886 120.400 -0.064 0.000 3.585 476 K HA -0.314 3.377 4.320 -1.274 -0.135 0.275 476 K C -0.028 176.420 176.600 -0.253 0.000 1.026 476 K CA 0.684 56.705 56.287 -0.444 0.000 0.800 476 K CB -1.779 30.619 32.500 -0.169 0.000 1.401 476 K HN -0.350 7.976 8.250 0.126 0.000 0.453 477 I N -1.594 118.851 120.570 -0.208 0.000 2.091 477 I HA -0.384 3.768 4.170 -0.029 0.000 0.240 477 I C 0.026 176.093 176.117 -0.083 0.000 1.046 477 I CA 2.476 63.730 61.300 -0.077 0.000 1.306 477 I CB 0.122 38.128 38.000 0.010 0.000 1.018 477 I HN 0.291 8.322 8.210 -0.297 0.000 0.404 478 V N -10.127 109.706 119.914 -0.135 0.000 3.242 478 V HA 0.319 4.384 4.120 -0.090 0.000 0.298 478 V C -2.327 173.684 176.094 -0.138 0.000 1.352 478 V CA -2.223 60.014 62.300 -0.106 0.000 1.052 478 V CB 2.922 34.708 31.823 -0.063 0.000 1.101 478 V HN -0.634 7.419 8.190 -0.227 0.001 0.446 479 E N 1.290 121.432 120.200 -0.098 0.000 2.367 479 E HA 0.347 4.820 4.350 -0.057 -0.157 0.292 479 E C -1.772 174.782 176.600 -0.076 0.000 0.900 479 E CA -0.683 55.673 56.400 -0.074 0.000 0.807 479 E CB 2.657 32.321 29.700 -0.060 0.000 1.337 479 E HN 0.075 8.383 8.360 -0.087 0.000 0.394 480 I N 7.438 127.971 120.570 -0.062 0.000 2.336 480 I HA 0.498 4.611 4.170 -0.096 0.000 0.292 480 I C -1.690 174.359 176.117 -0.114 0.000 0.991 480 I CA -2.701 58.557 61.300 -0.070 0.000 1.227 480 I CB 1.145 39.143 38.000 -0.003 0.000 1.366 480 I HN 0.770 8.851 8.210 -0.036 0.108 0.466 481 P HA 0.158 4.374 4.420 -0.339 0.000 0.333 481 P C 0.968 178.035 177.300 -0.388 0.000 1.343 481 P CA -0.285 62.516 63.100 -0.498 0.000 0.761 481 P CB 0.415 31.508 31.700 -1.012 0.000 1.701 482 F N -5.915 114.037 119.950 0.003 0.000 2.411 482 F HA -0.230 4.472 4.527 -0.021 -0.188 0.299 482 F C 0.222 175.981 175.800 -0.067 0.000 1.077 482 F CA -0.731 57.253 58.000 -0.026 0.000 1.439 482 F CB -1.206 37.780 39.000 -0.023 0.000 1.085 482 F HN 0.082 7.560 8.300 -1.370 0.000 0.564 483 N N 1.104 119.843 118.700 0.065 0.000 2.807 483 N HA 0.022 4.909 4.740 0.244 0.000 0.259 483 N C -1.464 174.041 175.510 -0.009 0.000 1.149 483 N CA 0.105 53.230 53.050 0.125 0.000 1.042 483 N CB -0.328 38.212 38.487 0.088 0.000 1.367 483 N HN -0.184 7.923 8.380 -0.239 0.129 0.516 484 S N 1.950 117.585 115.700 -0.109 0.000 2.625 484 S HA 0.342 4.764 4.470 -0.080 0.000 0.271 484 S C 0.621 175.062 174.600 -0.266 0.000 1.161 484 S CA -1.024 57.046 58.200 -0.217 0.000 0.820 484 S CB 3.086 66.013 63.200 -0.455 0.000 1.137 484 S HN -0.446 7.781 8.310 -0.090 0.029 0.470 485 T N 4.212 118.649 114.554 -0.194 0.000 2.536 485 T HA -0.349 3.958 4.350 -0.072 0.000 0.263 485 T C 0.341 174.945 174.700 -0.159 0.000 1.115 485 T CA 3.370 65.399 62.100 -0.118 0.000 1.180 485 T CB -0.031 68.816 68.868 -0.036 0.000 0.864 485 T HN 0.365 8.538 8.240 -0.111 0.000 0.419 486 N N -1.245 117.326 118.700 -0.214 0.000 2.501 486 N HA -0.026 4.676 4.740 -0.063 0.000 0.195 486 N C -1.666 173.731 175.510 -0.188 0.000 1.213 486 N CA -0.012 52.962 53.050 -0.126 0.000 0.864 486 N CB 0.138 38.654 38.487 0.048 0.000 0.999 486 N HN -0.319 7.930 8.380 -0.219 0.000 0.454 487 K N -2.825 117.386 120.400 -0.314 0.000 5.502 487 K HA -0.431 3.967 4.320 -0.234 -0.218 0.379 487 K C -1.846 174.672 176.600 -0.137 0.000 0.908 487 K CA 0.807 56.967 56.287 -0.212 0.000 1.130 487 K CB -1.869 30.597 32.500 -0.058 0.000 1.893 487 K HN -0.272 7.562 8.250 -0.344 0.210 0.379 488 Y N -3.087 117.241 120.300 0.048 0.000 2.772 488 Y HA 0.512 5.116 4.550 0.011 -0.048 0.324 488 Y C -1.930 173.984 175.900 0.025 0.000 1.169 488 Y CA -3.030 55.084 58.100 0.023 0.000 1.198 488 Y CB 1.750 40.214 38.460 0.006 0.000 1.402 488 Y HN -0.679 7.159 8.280 -0.736 0.000 0.577 489 Q N -0.303 119.660 119.800 0.272 0.000 2.331 489 Q HA 0.613 5.314 4.340 0.163 -0.263 0.272 489 Q C -1.871 174.209 176.000 0.133 0.000 1.062 489 Q CA -1.232 54.666 55.803 0.157 0.000 0.806 489 Q CB 4.318 33.081 28.738 0.043 0.000 1.312 489 Q HN -0.034 8.386 8.270 0.249 0.000 0.431 490 L N 0.180 121.474 121.223 0.118 0.000 2.409 490 L HA 0.863 5.339 4.340 0.043 -0.110 0.255 490 L C -2.219 174.676 176.870 0.042 0.000 1.027 490 L CA -1.319 53.566 54.840 0.073 0.000 0.834 490 L CB 4.384 46.503 42.059 0.101 0.000 1.426 490 L HN 0.389 8.682 8.230 0.106 0.000 0.411 491 S N -2.927 112.804 115.700 0.052 0.000 2.605 491 S HA 0.404 4.994 4.470 -0.023 -0.134 0.279 491 S C -1.354 173.305 174.600 0.098 0.000 1.166 491 S CA 0.049 58.281 58.200 0.053 0.000 0.975 491 S CB 2.287 65.579 63.200 0.153 0.000 1.111 491 S HN 0.012 8.361 8.310 0.066 0.000 0.465 492 I N 3.623 124.175 120.570 -0.031 0.000 2.460 492 I HA 0.601 5.000 4.170 0.127 -0.154 0.298 492 I C -0.787 175.259 176.117 -0.118 0.000 0.989 492 I CA -1.077 60.245 61.300 0.036 0.000 1.173 492 I CB 2.910 40.954 38.000 0.072 0.000 1.338 492 I HN 0.366 8.389 8.210 -0.124 0.112 0.456 493 H N 4.456 123.568 119.070 0.069 0.000 2.954 493 H HA 0.317 4.923 4.556 0.083 0.000 0.361 493 H C -1.969 173.439 175.328 0.133 0.000 1.122 493 H CA -1.329 54.769 56.048 0.083 0.000 1.217 493 H CB 4.414 34.160 29.762 -0.026 0.000 1.776 493 H HN 0.769 9.183 8.280 0.224 0.000 0.533 494 K N 1.658 122.167 120.400 0.181 0.000 2.205 494 K HA 0.037 4.284 4.320 -0.237 -0.069 0.279 494 K C -0.888 175.760 176.600 0.081 0.000 1.027 494 K CA -0.992 55.261 56.287 -0.056 0.000 0.932 494 K CB 0.589 32.922 32.500 -0.278 0.000 1.032 494 K HN 0.345 8.693 8.250 0.162 0.000 0.466 495 N N 3.157 121.835 118.700 -0.036 0.000 2.470 495 N HA 0.110 4.502 4.740 -0.580 0.000 0.268 495 N C -0.069 175.269 175.510 -0.287 0.000 1.136 495 N CA -2.874 50.045 53.050 -0.217 0.000 0.961 495 N CB 0.729 39.169 38.487 -0.079 0.000 1.067 495 N HN 0.341 8.498 8.380 -0.139 0.140 0.468 496 P HA -0.125 4.184 4.420 -0.185 0.000 0.214 496 P C -0.417 176.771 177.300 -0.188 0.000 1.162 496 P CA 1.549 64.504 63.100 -0.240 0.000 0.871 496 P CB 0.471 32.027 31.700 -0.240 0.000 0.783 497 N N -1.496 117.080 118.700 -0.207 0.000 2.875 497 N HA 0.150 4.822 4.740 -0.114 0.000 0.253 497 N C -2.374 173.054 175.510 -0.137 0.000 1.296 497 N CA 0.421 53.387 53.050 -0.141 0.000 0.816 497 N CB 1.305 39.722 38.487 -0.116 0.000 1.504 497 N HN -0.351 7.981 8.380 -0.285 -0.123 0.582 498 A N 2.231 124.990 122.820 -0.102 0.000 2.564 498 A HA 0.336 4.611 4.320 -0.074 0.000 0.291 498 A C -1.959 175.602 177.584 -0.038 0.000 1.102 498 A CA -0.297 51.698 52.037 -0.071 0.000 0.660 498 A CB 1.873 20.836 19.000 -0.061 0.000 1.283 498 A HN -0.152 7.945 8.150 -0.089 0.000 0.430 499 S N -0.643 115.050 115.700 -0.012 0.000 2.370 499 S HA -0.253 4.218 4.470 0.001 0.000 0.226 499 S C 0.295 174.898 174.600 0.005 0.000 1.033 499 S CA 1.386 59.590 58.200 0.007 0.000 1.011 499 S CB 0.124 63.347 63.200 0.038 0.000 0.852 499 S HN 0.143 8.446 8.310 -0.012 0.000 0.457 500 E N 1.604 121.809 120.200 0.008 0.000 2.436 500 E HA 0.053 4.394 4.350 -0.015 0.000 0.262 500 E C -1.990 174.592 176.600 -0.029 0.000 1.063 500 E CA -1.075 55.320 56.400 -0.009 0.000 0.944 500 E CB -0.029 29.673 29.700 0.004 0.000 0.950 500 E HN -0.337 8.037 8.360 0.023 0.000 0.444 501 P HA -0.033 4.364 4.420 -0.038 0.000 0.274 501 P C -0.511 176.732 177.300 -0.095 0.000 1.260 501 P CA -0.404 62.667 63.100 -0.048 0.000 0.793 501 P CB 0.965 32.649 31.700 -0.027 0.000 1.048 502 K N -3.521 116.784 120.400 -0.157 0.000 1.975 502 K HA -0.215 3.941 4.320 -0.272 0.000 0.224 502 K C 1.454 177.770 176.600 -0.473 0.000 1.038 502 K CA 2.377 58.450 56.287 -0.356 0.000 1.009 502 K CB 0.163 32.385 32.500 -0.465 0.000 0.750 502 K HN 0.046 8.235 8.250 -0.101 0.000 0.445 503 H N -1.574 117.494 119.070 -0.004 0.000 2.928 503 H HA -0.098 4.652 4.556 0.011 -0.188 0.338 503 H C 0.088 175.401 175.328 -0.024 0.000 1.047 503 H CA 1.723 57.772 56.048 0.002 0.000 1.435 503 H CB 0.025 29.830 29.762 0.072 0.000 1.428 503 H HN -0.083 7.537 8.280 -1.100 0.000 0.590 504 L N 2.887 124.146 121.223 0.060 0.000 2.381 504 L HA 0.447 4.765 4.340 -0.036 0.000 0.268 504 L C -2.617 174.283 176.870 0.050 0.000 0.997 504 L CA -1.790 53.066 54.840 0.027 0.000 0.818 504 L CB 3.920 46.016 42.059 0.061 0.000 1.310 504 L HN 0.746 8.953 8.230 0.132 0.102 0.416 505 L N 4.805 126.038 121.223 0.017 0.000 2.365 505 L HA 0.648 5.032 4.340 0.075 0.000 0.273 505 L C -2.357 174.555 176.870 0.070 0.000 1.000 505 L CA -1.627 53.240 54.840 0.045 0.000 0.819 505 L CB 3.067 45.136 42.059 0.016 0.000 1.284 505 L HN 0.107 8.333 8.230 -0.007 0.000 0.418 506 V N -1.294 118.663 119.914 0.072 0.000 3.114 506 V HA 0.978 5.333 4.120 0.083 -0.185 0.308 506 V C -1.906 174.202 176.094 0.024 0.000 1.168 506 V CA -2.151 60.187 62.300 0.062 0.000 1.015 506 V CB 4.457 36.310 31.823 0.051 0.000 1.050 506 V HN -0.306 7.932 8.190 0.080 0.000 0.433 507 M N -3.757 115.829 119.600 -0.023 0.000 3.147 507 M HA 0.688 5.225 4.480 -0.040 -0.081 0.276 507 M C -2.581 173.621 176.300 -0.163 0.000 1.211 507 M CA -0.274 54.984 55.300 -0.069 0.000 0.820 507 M CB 4.103 36.645 32.600 -0.096 0.000 1.621 507 M HN -0.213 8.062 8.290 -0.024 0.000 0.507 508 K N -3.467 116.835 120.400 -0.163 0.000 2.533 508 K HA 0.455 4.629 4.320 -0.244 0.000 0.284 508 K C -2.069 174.489 176.600 -0.070 0.000 1.025 508 K CA -0.825 55.322 56.287 -0.233 0.000 0.900 508 K CB 3.836 36.050 32.500 -0.477 0.000 1.519 508 K HN 0.417 8.625 8.250 -0.070 0.000 0.432 509 G N -3.691 105.068 108.800 -0.068 0.000 2.325 509 G HA2 0.103 4.079 3.960 0.026 0.000 0.295 509 G HA3 0.103 4.101 3.960 0.064 0.000 0.295 509 G C -2.492 172.397 174.900 -0.017 0.000 1.274 509 G CA 0.104 45.210 45.100 0.009 0.000 0.857 509 G HN -0.148 8.061 8.290 -0.135 0.000 0.499 510 A N -0.611 122.214 122.820 0.008 0.000 2.561 510 A HA 0.263 4.579 4.320 -0.006 0.000 0.234 510 A C -0.699 176.861 177.584 -0.041 0.000 1.055 510 A CA -1.837 50.197 52.037 -0.006 0.000 0.756 510 A CB -0.488 18.527 19.000 0.025 0.000 0.986 510 A HN 0.378 8.546 8.150 0.031 0.000 0.505 511 P HA -0.232 4.194 4.420 0.011 0.000 0.217 511 P C 1.198 178.483 177.300 -0.025 0.000 1.150 511 P CA 1.848 64.914 63.100 -0.056 0.000 0.832 511 P CB 0.224 31.799 31.700 -0.209 0.000 0.787 512 E N -2.166 118.031 120.200 -0.005 0.000 2.085 512 E HA -0.338 4.025 4.350 0.022 0.000 0.194 512 E C 2.271 178.819 176.600 -0.086 0.000 0.994 512 E CA 3.585 59.996 56.400 0.019 0.000 0.801 512 E CB -0.872 28.897 29.700 0.114 0.000 0.743 512 E HN 0.433 8.756 8.360 -0.063 0.000 0.453 513 R N -1.838 118.629 120.500 -0.055 0.000 2.153 513 R HA -0.186 4.120 4.340 -0.056 0.000 0.218 513 R C 2.724 178.957 176.300 -0.112 0.000 1.072 513 R CA 2.452 58.519 56.100 -0.056 0.000 0.990 513 R CB -0.226 30.077 30.300 0.005 0.000 0.889 513 R HN -0.558 7.575 8.270 -0.028 0.119 0.452 514 I N 1.014 121.504 120.570 -0.132 0.000 2.142 514 I HA -0.356 3.714 4.170 -0.166 0.000 0.240 514 I C 2.295 178.197 176.117 -0.358 0.000 1.078 514 I CA 3.685 64.876 61.300 -0.182 0.000 1.343 514 I CB -0.215 37.734 38.000 -0.085 0.000 1.046 514 I HN -0.166 7.888 8.210 -0.100 0.095 0.405 515 L N 0.345 121.255 121.223 -0.522 0.000 2.129 515 L HA -0.302 3.210 4.340 -1.380 0.000 0.212 515 L C 2.121 178.681 176.870 -0.517 0.000 1.087 515 L CA 2.922 57.249 54.840 -0.855 0.000 0.757 515 L CB -0.756 40.746 42.059 -0.928 0.000 0.896 515 L HN -0.070 7.850 8.230 -0.408 0.065 0.434 516 D N -1.437 118.776 120.400 -0.312 0.000 2.264 516 D HA -0.138 4.389 4.640 -0.189 0.000 0.208 516 D C 1.141 177.325 176.300 -0.193 0.000 0.966 516 D CA 2.501 56.379 54.000 -0.203 0.000 0.864 516 D CB 0.175 40.900 40.800 -0.125 0.000 0.933 516 D HN -0.181 7.902 8.370 -0.268 0.126 0.499 517 R N -4.661 115.701 120.500 -0.230 0.000 2.446 517 R HA 0.279 4.739 4.340 -0.163 -0.218 0.254 517 R C -0.850 175.320 176.300 -0.218 0.000 0.918 517 R CA -0.718 55.263 56.100 -0.198 0.000 1.069 517 R CB 1.321 31.505 30.300 -0.193 0.000 1.194 517 R HN -0.345 7.578 8.270 -0.278 0.180 0.534 518 C N 0.492 119.603 119.300 -0.315 0.000 2.624 518 C HA -0.149 4.276 4.460 -0.235 -0.106 0.397 518 C C 0.166 175.030 174.990 -0.211 0.000 1.331 518 C CA 1.754 60.576 59.018 -0.325 0.000 1.716 518 C CB 0.264 27.611 27.740 -0.655 0.000 2.452 518 C HN -0.538 7.269 8.230 -0.385 0.192 0.586 519 S N 3.957 119.585 115.700 -0.121 0.000 2.486 519 S HA -0.016 4.407 4.470 -0.079 0.000 0.220 519 S C -0.288 174.292 174.600 -0.034 0.000 1.011 519 S CA 1.828 59.986 58.200 -0.070 0.000 0.921 519 S CB 0.468 63.640 63.200 -0.047 0.000 0.785 519 S HN 0.858 8.999 8.310 -0.100 0.110 0.517 520 S N -1.423 114.270 115.700 -0.011 0.000 2.752 520 S HA 0.392 5.033 4.470 0.041 -0.147 0.284 520 S C -2.345 172.320 174.600 0.108 0.000 1.189 520 S CA -0.345 57.881 58.200 0.043 0.000 0.835 520 S CB 3.319 66.550 63.200 0.053 0.000 1.192 520 S HN -0.880 7.415 8.310 -0.024 0.000 0.506 521 I N -0.839 119.825 120.570 0.158 0.000 3.002 521 I HA 0.360 4.727 4.170 0.328 0.000 0.310 521 I C -2.979 173.219 176.117 0.135 0.000 1.087 521 I CA -2.167 59.275 61.300 0.236 0.000 1.017 521 I CB 4.166 42.350 38.000 0.307 0.000 1.226 521 I HN 0.322 8.604 8.210 0.119 0.000 0.443 522 L N 4.776 126.058 121.223 0.097 0.000 2.372 522 L HA 0.524 4.898 4.340 0.057 0.000 0.274 522 L C -2.126 174.726 176.870 -0.030 0.000 0.988 522 L CA -1.122 53.746 54.840 0.047 0.000 0.833 522 L CB 0.963 43.063 42.059 0.068 0.000 1.236 522 L HN 0.213 8.506 8.230 0.106 0.000 0.410 523 L N 4.568 125.779 121.223 -0.021 0.000 2.408 523 L HA 0.374 4.614 4.340 -0.167 0.000 0.268 523 L C -0.400 176.486 176.870 0.027 0.000 0.986 523 L CA -1.132 53.675 54.840 -0.055 0.000 0.820 523 L CB 2.971 45.032 42.059 0.002 0.000 1.303 523 L HN 0.172 8.416 8.230 0.022 0.000 0.411 524 H N 0.130 119.148 119.070 -0.087 0.000 2.822 524 H HA -0.287 4.214 4.556 -0.091 0.000 0.295 524 H C -0.077 175.215 175.328 -0.060 0.000 1.151 524 H CA 1.330 57.332 56.048 -0.076 0.000 1.151 524 H CB -1.504 28.219 29.762 -0.066 0.000 1.343 524 H HN 0.919 8.942 8.280 -0.428 0.000 0.382 525 G N -4.699 104.090 108.800 -0.019 0.000 2.295 525 G HA2 -0.430 3.526 3.960 -0.006 0.000 0.287 525 G HA3 -0.430 3.522 3.960 -0.013 0.000 0.287 525 G C -0.641 174.282 174.900 0.039 0.000 1.055 525 G CA 0.487 45.587 45.100 0.000 0.000 0.922 525 G HN -0.288 7.927 8.290 -0.067 0.035 0.503 526 K N -0.823 119.607 120.400 0.050 0.000 2.201 526 K HA 0.376 4.724 4.320 0.047 0.000 0.267 526 K C -0.898 175.735 176.600 0.055 0.000 0.975 526 K CA -1.610 54.707 56.287 0.051 0.000 1.293 526 K CB 1.856 34.385 32.500 0.049 0.000 3.096 526 K HN -0.026 8.150 8.250 0.049 0.104 1.038 527 E N -1.359 118.872 120.200 0.053 0.000 2.429 527 E HA 0.398 4.922 4.350 0.068 -0.134 0.276 527 E C -1.292 175.339 176.600 0.052 0.000 0.953 527 E CA -1.310 55.126 56.400 0.060 0.000 0.787 527 E CB 3.402 33.139 29.700 0.062 0.000 1.307 527 E HN -0.099 8.289 8.360 0.046 0.000 0.458 528 Q N -0.807 119.029 119.800 0.059 0.000 2.375 528 Q HA 0.541 4.907 4.340 0.043 0.000 0.271 528 Q C -2.308 173.727 176.000 0.059 0.000 1.074 528 Q CA -3.522 52.313 55.803 0.054 0.000 0.808 528 Q CB 2.234 31.005 28.738 0.056 0.000 1.327 528 Q HN 0.481 8.794 8.270 0.072 0.000 0.441 529 P HA -0.110 4.331 4.420 0.034 0.000 0.269 529 P C -0.885 176.443 177.300 0.048 0.000 1.252 529 P CA -0.276 62.847 63.100 0.038 0.000 0.780 529 P CB -0.108 31.608 31.700 0.027 0.000 0.829 530 L N 3.355 124.607 121.223 0.048 0.000 2.490 530 L HA -0.149 4.255 4.340 0.106 0.000 0.274 530 L C -0.453 176.441 176.870 0.040 0.000 1.201 530 L CA 1.415 56.291 54.840 0.061 0.000 0.869 530 L CB 0.652 42.724 42.059 0.021 0.000 1.123 530 L HN -0.055 8.196 8.230 0.036 0.000 0.484 531 D N 3.721 124.159 120.400 0.063 0.000 2.643 531 D HA 0.168 4.826 4.640 0.030 0.000 0.283 531 D C 0.605 176.947 176.300 0.069 0.000 1.242 531 D CA -0.687 53.344 54.000 0.051 0.000 0.863 531 D CB 2.206 43.035 40.800 0.048 0.000 1.382 531 D HN -0.236 8.194 8.370 0.100 0.000 0.444 532 E N -0.108 120.126 120.200 0.057 0.000 2.118 532 E HA -0.422 3.968 4.350 0.067 0.000 0.195 532 E C 1.592 178.245 176.600 0.089 0.000 0.992 532 E CA 3.347 59.786 56.400 0.065 0.000 0.804 532 E CB -0.090 29.638 29.700 0.047 0.000 0.741 532 E HN 0.435 8.820 8.360 0.043 0.000 0.458 533 E N 0.286 120.538 120.200 0.086 0.000 2.110 533 E HA -0.193 4.207 4.350 0.084 0.000 0.193 533 E C 1.950 178.634 176.600 0.140 0.000 0.988 533 E CA 2.725 59.181 56.400 0.094 0.000 0.804 533 E CB -0.345 29.399 29.700 0.073 0.000 0.745 533 E HN 0.132 8.506 8.360 0.073 0.030 0.458 534 L N -2.812 118.512 121.223 0.168 0.000 2.354 534 L HA -0.018 4.475 4.340 0.255 0.000 0.212 534 L C 2.354 179.439 176.870 0.358 0.000 1.091 534 L CA 1.535 56.527 54.840 0.253 0.000 0.828 534 L CB -0.099 42.099 42.059 0.233 0.000 0.973 534 L HN -0.043 8.104 8.230 0.139 0.167 0.461 535 K N 0.074 120.640 120.400 0.276 0.000 2.032 535 K HA -0.396 4.159 4.320 0.391 0.000 0.209 535 K C 1.996 178.793 176.600 0.328 0.000 1.048 535 K CA 3.834 60.300 56.287 0.298 0.000 0.927 535 K CB -0.533 32.065 32.500 0.163 0.000 0.712 535 K HN 0.138 8.505 8.250 0.194 0.000 0.441 536 D N -0.870 119.661 120.400 0.218 0.000 2.097 536 D HA -0.269 4.457 4.640 0.144 0.000 0.195 536 D C 1.607 177.999 176.300 0.155 0.000 0.989 536 D CA 3.585 57.681 54.000 0.159 0.000 0.827 536 D CB 0.155 41.021 40.800 0.110 0.000 0.966 536 D HN -0.248 8.158 8.370 0.180 0.072 0.456 537 A N -2.457 120.491 122.820 0.214 0.000 1.978 537 A HA -0.284 4.155 4.320 0.198 0.000 0.220 537 A C 1.570 179.313 177.584 0.265 0.000 1.170 537 A CA 2.919 55.120 52.037 0.272 0.000 0.636 537 A CB -0.453 18.750 19.000 0.338 0.000 0.810 537 A HN -0.269 8.011 8.150 0.218 0.000 0.448 538 F N -0.597 119.294 119.950 -0.098 0.000 2.187 538 F HA -0.265 3.189 4.527 -1.788 0.000 0.295 538 F C 1.219 176.778 175.800 -0.402 0.000 1.091 538 F CA 2.873 60.409 58.000 -0.773 0.000 1.308 538 F CB 0.280 38.863 39.000 -0.695 0.000 1.030 538 F HN -0.692 7.676 8.300 0.351 0.142 0.487 539 Q N -0.103 119.584 119.800 -0.188 0.000 1.921 539 Q HA -0.521 3.573 4.340 -0.411 0.000 0.208 539 Q C 2.504 178.322 176.000 -0.302 0.000 0.994 539 Q CA 4.495 60.166 55.803 -0.219 0.000 0.857 539 Q CB -0.405 28.368 28.738 0.058 0.000 0.925 539 Q HN 0.374 8.682 8.270 0.206 0.086 0.421 540 N N -0.989 117.613 118.700 -0.162 0.000 2.132 540 N HA -0.358 4.300 4.740 -0.137 0.000 0.191 540 N C 1.840 177.234 175.510 -0.193 0.000 1.015 540 N CA 3.166 56.132 53.050 -0.141 0.000 0.864 540 N CB -0.357 38.093 38.487 -0.062 0.000 1.006 540 N HN -0.273 8.063 8.380 -0.074 0.000 0.430 541 A N 0.357 123.021 122.820 -0.260 0.000 1.834 541 A HA -0.250 3.979 4.320 -0.152 0.000 0.216 541 A C 1.932 179.324 177.584 -0.320 0.000 1.203 541 A CA 3.035 54.898 52.037 -0.290 0.000 0.621 541 A CB -0.981 17.736 19.000 -0.472 0.000 0.841 541 A HN -0.572 7.368 8.150 -0.297 0.032 0.446 542 Y N -0.027 119.857 120.300 -0.692 0.000 2.132 542 Y HA -0.432 3.852 4.550 -0.443 0.000 0.280 542 Y C 2.246 177.945 175.900 -0.334 0.000 1.193 542 Y CA 2.130 59.884 58.100 -0.577 0.000 1.157 542 Y CB -0.399 37.493 38.460 -0.946 0.000 0.966 542 Y HN -0.254 7.550 8.280 -0.793 0.000 0.511 543 L N -3.744 117.206 121.223 -0.455 0.000 1.994 543 L HA -0.486 3.518 4.340 -0.559 0.000 0.208 543 L C 2.628 179.334 176.870 -0.273 0.000 1.071 543 L CA 2.680 57.275 54.840 -0.408 0.000 0.745 543 L CB -0.771 41.122 42.059 -0.276 0.000 0.892 543 L HN 0.281 8.159 8.230 -0.386 0.120 0.431 544 E N 0.075 120.151 120.200 -0.206 0.000 2.118 544 E HA -0.287 3.982 4.350 -0.135 0.000 0.195 544 E C 2.422 178.936 176.600 -0.142 0.000 0.992 544 E CA 2.385 58.692 56.400 -0.156 0.000 0.804 544 E CB -0.421 29.194 29.700 -0.142 0.000 0.741 544 E HN -0.247 7.884 8.360 -0.207 0.104 0.458 545 L N -5.097 116.047 121.223 -0.132 0.000 2.349 545 L HA -0.258 4.051 4.340 -0.051 0.000 0.220 545 L C 0.826 177.673 176.870 -0.039 0.000 1.130 545 L CA 1.096 55.905 54.840 -0.053 0.000 0.791 545 L CB 0.118 42.195 42.059 0.030 0.000 0.918 545 L HN -0.200 7.865 8.230 -0.155 0.072 0.444 546 G N -1.860 106.871 108.800 -0.114 0.000 2.842 546 G HA2 -0.194 3.755 3.960 -0.127 0.000 0.242 546 G HA3 -0.194 3.735 3.960 -0.051 0.000 0.242 546 G C 0.124 174.961 174.900 -0.105 0.000 1.135 546 G CA -0.402 44.638 45.100 -0.100 0.000 1.048 546 G HN -0.572 7.459 8.290 -0.187 0.147 0.530 547 G N -1.880 106.780 108.800 -0.234 0.000 2.467 547 G HA2 0.085 4.018 3.960 -0.044 0.000 0.257 547 G HA3 0.085 3.738 3.960 -0.511 0.000 0.257 547 G C -0.758 174.071 174.900 -0.118 0.000 1.227 547 G CA -0.166 44.802 45.100 -0.219 0.000 0.835 547 G HN -0.464 7.613 8.290 -0.354 0.000 0.556 548 L N 1.634 122.844 121.223 -0.022 0.000 2.718 548 L HA 0.206 4.530 4.340 -0.026 0.000 0.247 548 L C 0.689 177.577 176.870 0.031 0.000 1.028 548 L CA 0.621 55.459 54.840 -0.003 0.000 1.031 548 L CB 0.740 42.805 42.059 0.010 0.000 1.910 548 L HN 0.397 8.650 8.230 0.038 0.000 0.526 549 G N -0.728 108.116 108.800 0.073 0.000 3.183 549 G HA2 -0.070 3.944 3.960 0.090 0.000 0.140 549 G HA3 -0.070 3.928 3.960 0.063 0.000 0.140 549 G C -1.515 173.458 174.900 0.123 0.000 1.209 549 G CA 0.442 45.594 45.100 0.088 0.000 1.438 549 G HN -0.690 7.655 8.290 0.091 0.000 0.700 550 E N 2.282 122.536 120.200 0.090 0.000 2.490 550 E HA 0.280 4.686 4.350 0.093 0.000 0.232 550 E C -1.194 175.455 176.600 0.081 0.000 1.091 550 E CA -0.605 55.845 56.400 0.083 0.000 1.050 550 E CB -1.019 28.716 29.700 0.058 0.000 1.342 550 E HN 0.265 8.667 8.360 0.069 0.000 0.454 551 R N -1.117 119.446 120.500 0.106 0.000 2.196 551 R HA 0.172 4.563 4.340 0.085 0.000 0.186 551 R C -0.115 176.254 176.300 0.116 0.000 1.163 551 R CA -0.358 55.804 56.100 0.103 0.000 1.146 551 R CB 1.484 31.846 30.300 0.104 0.000 1.113 551 R HN -0.545 7.809 8.270 0.140 0.000 0.513 552 V N 0.273 120.274 119.914 0.146 0.000 3.332 552 V HA -0.202 4.194 4.120 0.149 -0.187 0.305 552 V C -0.682 175.458 176.094 0.077 0.000 1.114 552 V CA 0.704 63.081 62.300 0.129 0.000 1.194 552 V CB 0.335 32.249 31.823 0.153 0.000 1.027 552 V HN 0.033 8.340 8.190 0.195 0.000 0.492 553 L N -1.189 120.108 121.223 0.123 0.000 2.350 553 L HA 0.436 4.933 4.340 0.002 -0.156 0.260 553 L C 0.224 177.208 176.870 0.189 0.000 1.015 553 L CA -1.608 53.289 54.840 0.095 0.000 0.821 553 L CB 4.194 46.309 42.059 0.094 0.000 1.370 553 L HN -0.044 8.292 8.230 0.178 0.000 0.416 554 G N -1.588 107.277 108.800 0.107 0.000 3.044 554 G HA2 0.134 4.257 3.960 0.272 0.000 0.223 554 G HA3 0.134 4.170 3.960 0.126 0.000 0.223 554 G C -0.754 174.327 174.900 0.302 0.000 1.123 554 G CA -1.013 44.210 45.100 0.205 0.000 0.765 554 G HN -0.199 8.070 8.290 -0.035 0.000 0.546 555 F N -1.248 118.743 119.950 0.069 0.000 2.068 555 F HA -0.375 4.171 4.527 0.032 0.000 0.146 555 F C -0.913 174.909 175.800 0.036 0.000 1.001 555 F CA 0.467 58.496 58.000 0.048 0.000 0.708 555 F CB -2.353 36.674 39.000 0.045 0.000 0.761 555 F HN -0.374 7.864 8.300 -0.104 0.000 0.770 556 C N -0.152 119.229 119.300 0.136 0.000 2.971 556 C HA 0.884 5.440 4.460 0.045 -0.069 0.310 556 C C -2.057 172.989 174.990 0.093 0.000 1.285 556 C CA -3.371 55.693 59.018 0.076 0.000 1.593 556 C CB 4.159 31.930 27.740 0.053 0.000 2.076 556 C HN -0.236 8.032 8.230 0.063 0.000 0.472 557 H N -3.648 115.453 119.070 0.051 0.000 2.941 557 H HA 0.779 5.483 4.556 0.002 -0.147 0.344 557 H C -0.971 174.354 175.328 -0.005 0.000 1.235 557 H CA -2.614 53.446 56.048 0.019 0.000 1.149 557 H CB 3.224 33.007 29.762 0.035 0.000 1.885 557 H HN -0.274 8.087 8.280 0.134 0.000 0.558 558 L N -5.278 115.985 121.223 0.066 0.000 3.386 558 L HA 0.424 4.781 4.340 0.027 0.000 0.307 558 L C -0.543 176.247 176.870 -0.133 0.000 1.235 558 L CA -0.979 53.845 54.840 -0.027 0.000 1.056 558 L CB 0.846 42.881 42.059 -0.040 0.000 1.453 558 L HN -0.036 8.208 8.230 0.024 0.000 0.615 559 L N -0.940 120.146 121.223 -0.228 0.000 3.543 559 L HA -0.381 3.845 4.340 -0.190 0.000 0.591 559 L C -0.343 176.434 176.870 -0.155 0.000 1.028 559 L CA 0.342 55.054 54.840 -0.213 0.000 1.086 559 L CB -2.833 39.073 42.059 -0.256 0.000 1.124 559 L HN -0.076 7.988 8.230 -0.276 0.000 0.705 560 L N 1.339 122.437 121.223 -0.208 0.000 2.700 560 L HA -0.094 3.959 4.340 -0.478 0.000 0.272 560 L C -1.192 175.566 176.870 -0.187 0.000 1.176 560 L CA -1.208 53.383 54.840 -0.415 0.000 0.961 560 L CB -0.230 41.426 42.059 -0.671 0.000 1.249 560 L HN -0.343 7.780 8.230 -0.178 0.000 0.487 561 P HA 0.061 4.541 4.420 0.099 0.000 0.268 561 P C -0.512 176.993 177.300 0.341 0.000 1.282 561 P CA -0.554 62.657 63.100 0.185 0.000 0.880 561 P CB 0.021 31.850 31.700 0.215 0.000 0.971 562 D N 3.530 124.084 120.400 0.256 0.000 2.403 562 D HA -0.298 4.630 4.640 0.480 0.000 0.227 562 D C 0.219 176.672 176.300 0.256 0.000 0.995 562 D CA 1.817 56.010 54.000 0.321 0.000 0.928 562 D CB 0.152 41.082 40.800 0.216 0.000 0.887 562 D HN 0.064 8.527 8.370 0.154 0.000 0.529 563 E N -2.330 117.994 120.200 0.207 0.000 2.075 563 E HA -0.151 4.274 4.350 0.124 0.000 0.190 563 E C 0.705 177.387 176.600 0.136 0.000 0.969 563 E CA 1.729 58.216 56.400 0.145 0.000 0.815 563 E CB -0.011 29.753 29.700 0.107 0.000 0.776 563 E HN 0.242 8.594 8.360 0.222 0.141 0.457 564 Q N -2.269 117.630 119.800 0.164 0.000 2.096 564 Q HA -0.084 4.265 4.340 0.015 0.000 0.197 564 Q C 1.115 177.111 176.000 -0.007 0.000 0.964 564 Q CA 1.889 57.726 55.803 0.058 0.000 0.838 564 Q CB 0.859 29.619 28.738 0.038 0.000 0.906 564 Q HN -0.534 7.789 8.270 0.244 0.093 0.444 565 F N 0.223 120.256 119.950 0.138 0.000 2.382 565 F HA 0.094 4.734 4.527 0.189 0.000 0.331 565 F C -1.436 174.490 175.800 0.211 0.000 1.121 565 F CA -1.702 56.421 58.000 0.206 0.000 1.183 565 F CB 0.340 39.509 39.000 0.281 0.000 1.207 565 F HN -0.051 8.461 8.300 0.534 0.109 0.555 566 P HA 0.255 4.760 4.420 0.142 0.000 0.284 566 P C -0.182 177.243 177.300 0.209 0.000 1.258 566 P CA -1.022 62.186 63.100 0.181 0.000 0.824 566 P CB 1.290 33.026 31.700 0.060 0.000 1.038 567 E N 0.653 120.940 120.200 0.145 0.000 2.516 567 E HA -0.243 4.394 4.350 0.478 0.000 0.199 567 E C -0.035 176.433 176.600 -0.220 0.000 1.069 567 E CA 1.243 57.757 56.400 0.191 0.000 0.876 567 E CB -1.227 28.564 29.700 0.152 0.000 0.843 567 E HN 0.312 8.737 8.360 0.107 0.000 0.530 568 G N -3.567 104.916 108.800 -0.528 0.000 2.833 568 G HA2 0.093 3.364 3.960 -1.147 0.000 0.210 568 G HA3 0.093 3.690 3.960 -0.604 0.000 0.210 568 G C -0.917 172.999 174.900 -1.639 0.000 1.139 568 G CA -0.656 43.834 45.100 -1.015 0.000 0.771 568 G HN -0.369 7.668 8.290 -0.275 0.089 0.535 569 F N -3.163 116.509 119.950 -0.464 0.000 2.925 569 F HA -0.438 3.325 4.527 -1.273 0.000 0.239 569 F C -0.500 174.551 175.800 -1.248 0.000 1.009 569 F CA -0.682 56.644 58.000 -1.124 0.000 0.847 569 F CB -2.156 36.119 39.000 -1.208 0.000 0.719 569 F HN -0.622 7.259 8.300 -0.506 0.115 0.826 570 Q N -2.667 116.664 119.800 -0.781 0.000 2.639 570 Q HA -0.004 4.097 4.340 -0.399 0.000 0.301 570 Q C -0.936 174.912 176.000 -0.254 0.000 1.029 570 Q CA -0.410 55.130 55.803 -0.438 0.000 0.936 570 Q CB -1.822 26.751 28.738 -0.274 0.000 1.354 570 Q HN 0.157 8.052 8.270 -0.603 0.013 0.417 571 F N 0.053 120.002 119.950 -0.000 0.000 2.113 571 F HA -0.129 4.407 4.527 0.014 0.000 0.297 571 F C 1.408 177.173 175.800 -0.059 0.000 1.103 571 F CA 0.927 58.916 58.000 -0.018 0.000 1.248 571 F CB 0.107 39.077 39.000 -0.051 0.000 0.999 571 F HN -0.567 7.000 8.300 -1.089 0.079 0.475 572 D N -4.404 116.021 120.400 0.042 0.000 4.488 572 D HA -0.344 4.282 4.640 -0.023 0.000 0.303 572 D C -0.241 176.049 176.300 -0.017 0.000 2.374 572 D CA 1.422 55.419 54.000 -0.005 0.000 1.117 572 D CB 0.341 41.130 40.800 -0.018 0.000 1.102 572 D HN -0.044 8.329 8.370 0.006 0.000 1.284 573 T N -4.348 110.188 114.554 -0.030 0.000 3.134 573 T HA 0.089 4.396 4.350 -0.072 0.000 0.260 573 T C -0.849 173.843 174.700 -0.013 0.000 1.027 573 T CA 1.281 63.357 62.100 -0.041 0.000 0.913 573 T CB -0.129 68.712 68.868 -0.045 0.000 1.046 573 T HN 0.073 8.299 8.240 -0.024 0.000 0.553 574 D N 1.877 122.278 120.400 0.002 0.000 2.753 574 D HA 0.144 4.795 4.640 0.019 0.000 0.291 574 D C -0.134 176.188 176.300 0.036 0.000 1.075 574 D CA 1.908 55.918 54.000 0.017 0.000 0.946 574 D CB 1.673 42.479 40.800 0.010 0.000 1.376 574 D HN -0.044 8.325 8.370 0.001 0.003 0.482 575 E N 0.087 120.313 120.200 0.043 0.000 2.685 575 E HA 0.180 4.570 4.350 0.066 0.000 0.208 575 E C 1.063 177.727 176.600 0.107 0.000 0.996 575 E CA -0.455 55.984 56.400 0.065 0.000 1.054 575 E CB 0.414 30.142 29.700 0.047 0.000 1.075 575 E HN -0.389 7.990 8.360 0.033 0.000 0.460 576 V N -0.018 119.957 119.914 0.101 0.000 2.233 576 V HA -0.492 3.765 4.120 0.102 -0.075 0.252 576 V C 1.113 177.353 176.094 0.244 0.000 1.063 576 V CA 1.967 64.323 62.300 0.092 0.000 1.032 576 V CB -0.442 31.299 31.823 -0.137 0.000 0.645 576 V HN -0.159 7.983 8.190 0.065 0.087 0.446 577 N N -3.634 115.243 118.700 0.294 0.000 2.778 577 N HA -0.365 4.499 4.740 0.207 0.000 0.249 577 N C -1.448 174.237 175.510 0.291 0.000 1.069 577 N CA 0.978 54.175 53.050 0.246 0.000 0.831 577 N CB -0.468 38.116 38.487 0.160 0.000 1.142 577 N HN 0.115 8.663 8.380 0.280 0.000 0.573 578 F N -2.809 117.158 119.950 0.028 0.000 2.403 578 F HA 0.209 4.792 4.527 0.094 0.000 0.320 578 F C -2.164 173.645 175.800 0.016 0.000 1.176 578 F CA -4.309 53.694 58.000 0.005 0.000 1.206 578 F CB -0.976 37.928 39.000 -0.161 0.000 1.235 578 F HN -0.513 8.155 8.300 0.785 0.104 0.565 579 P HA 0.150 4.394 4.420 -0.293 0.000 0.279 579 P C -2.045 174.825 177.300 -0.716 0.000 1.252 579 P CA -0.393 62.500 63.100 -0.346 0.000 0.811 579 P CB 1.098 32.729 31.700 -0.115 0.000 1.035 580 V N -8.151 111.438 119.914 -0.542 0.000 2.947 580 V HA 0.226 3.995 4.120 -0.585 0.000 0.381 580 V C -1.867 174.036 176.094 -0.319 0.000 1.376 580 V CA -0.935 61.037 62.300 -0.547 0.000 1.292 580 V CB 0.858 32.307 31.823 -0.622 0.000 1.295 580 V HN -0.340 7.624 8.190 -0.376 0.000 0.617 581 D N -2.049 118.211 120.400 -0.234 0.000 3.710 581 D HA 0.170 4.803 4.640 -0.170 -0.095 0.274 581 D C -1.589 174.637 176.300 -0.123 0.000 1.572 581 D CA 0.617 54.518 54.000 -0.166 0.000 0.782 581 D CB 0.133 40.847 40.800 -0.144 0.000 1.393 581 D HN -0.470 7.759 8.370 -0.235 0.000 0.671 582 N N -1.180 117.453 118.700 -0.111 0.000 2.159 582 N HA 0.097 4.799 4.740 -0.064 0.000 0.217 582 N C 0.378 175.857 175.510 -0.052 0.000 1.223 582 N CA 0.076 53.085 53.050 -0.068 0.000 0.896 582 N CB 1.210 39.670 38.487 -0.044 0.000 1.064 582 N HN -0.085 8.215 8.380 -0.133 0.000 0.518 583 L N -0.699 120.481 121.223 -0.072 0.000 2.482 583 L HA -0.079 4.405 4.340 0.013 -0.137 0.273 583 L C -1.032 175.839 176.870 0.003 0.000 1.228 583 L CA 0.734 55.556 54.840 -0.030 0.000 0.827 583 L CB 0.644 42.662 42.059 -0.068 0.000 1.099 583 L HN -0.555 7.536 8.230 -0.107 0.075 0.494 584 C N -1.030 118.330 119.300 0.100 0.000 2.358 584 C HA 0.142 4.816 4.460 0.093 -0.158 0.342 584 C C 0.867 175.951 174.990 0.156 0.000 1.234 584 C CA -1.901 57.198 59.018 0.136 0.000 1.969 584 C CB 2.442 30.320 27.740 0.230 0.000 2.346 584 C HN 0.641 8.969 8.230 0.162 0.000 0.525 585 F N 6.831 126.809 119.950 0.047 0.000 2.722 585 F HA -0.125 4.424 4.527 0.037 0.000 0.298 585 F C 0.557 176.435 175.800 0.131 0.000 1.175 585 F CA -0.312 57.737 58.000 0.083 0.000 1.462 585 F CB -0.345 38.740 39.000 0.141 0.000 1.111 585 F HN -0.031 8.426 8.300 0.261 0.000 0.592 586 V N -1.866 118.177 119.914 0.215 0.000 2.279 586 V HA -0.508 3.642 4.120 0.050 0.000 0.258 586 V C 0.441 176.572 176.094 0.061 0.000 1.078 586 V CA 3.424 65.757 62.300 0.054 0.000 1.096 586 V CB -0.028 31.699 31.823 -0.161 0.000 0.740 586 V HN -0.239 7.911 8.190 0.158 0.135 0.465 587 G N -6.677 102.196 108.800 0.120 0.000 2.559 587 G HA2 0.508 4.652 3.960 0.308 0.000 0.291 587 G HA3 0.508 4.514 3.960 0.077 0.000 0.291 587 G C -2.692 172.355 174.900 0.245 0.000 1.424 587 G CA -0.280 44.934 45.100 0.189 0.000 0.786 587 G HN -0.909 7.477 8.290 0.159 0.000 0.485 588 L N -5.005 116.405 121.223 0.311 0.000 2.357 588 L HA 0.594 5.016 4.340 0.136 0.000 0.244 588 L C -1.601 175.352 176.870 0.138 0.000 1.115 588 L CA -1.448 53.524 54.840 0.220 0.000 0.919 588 L CB 2.367 44.590 42.059 0.273 0.000 1.532 588 L HN 0.673 9.050 8.230 0.424 0.108 0.416 589 I N -2.651 117.978 120.570 0.100 0.000 4.761 589 I HA 0.420 4.689 4.170 0.058 -0.064 0.247 589 I C -0.057 176.141 176.117 0.136 0.000 0.760 589 I CA -1.093 60.245 61.300 0.063 0.000 2.578 589 I CB 1.017 38.986 38.000 -0.052 0.000 1.478 589 I HN 0.107 8.409 8.210 0.153 0.000 0.507 590 S N -1.989 113.797 115.700 0.144 0.000 4.260 590 S HA -0.047 4.514 4.470 0.152 0.000 0.073 590 S C -0.890 173.799 174.600 0.149 0.000 0.861 590 S CA -0.322 57.972 58.200 0.157 0.000 0.846 590 S CB -0.797 62.517 63.200 0.190 0.000 0.866 590 S HN -0.248 8.142 8.310 0.134 0.000 0.753 591 M N 1.837 121.534 119.600 0.161 0.000 2.252 591 M HA -0.123 4.435 4.480 0.130 0.000 0.333 591 M C 0.577 176.950 176.300 0.122 0.000 1.111 591 M CA 1.227 56.614 55.300 0.146 0.000 1.140 591 M CB 0.824 33.527 32.600 0.173 0.000 1.538 591 M HN -0.410 7.992 8.290 0.188 0.000 0.448 592 I N -0.788 119.842 120.570 0.100 0.000 2.793 592 I HA 0.143 4.365 4.170 0.087 0.000 0.313 592 I C -1.601 174.562 176.117 0.075 0.000 0.998 592 I CA -1.024 60.326 61.300 0.083 0.000 1.140 592 I CB 1.813 39.854 38.000 0.069 0.000 1.327 592 I HN 0.273 8.540 8.210 0.096 0.000 0.491 593 D N -0.598 119.841 120.400 0.065 0.000 3.036 593 D HA 0.321 4.992 4.640 0.052 0.000 0.244 593 D C -2.740 173.588 176.300 0.046 0.000 1.337 593 D CA -2.514 51.519 54.000 0.054 0.000 0.829 593 D CB 0.962 41.796 40.800 0.056 0.000 1.478 593 D HN 0.000 8.408 8.370 0.063 0.000 0.570 594 P HA 0.313 4.753 4.420 0.033 0.000 0.273 594 P C -1.645 175.672 177.300 0.029 0.000 1.250 594 P CA -0.856 62.264 63.100 0.034 0.000 0.793 594 P CB -0.709 31.010 31.700 0.032 0.000 1.011 595 P HA 0.000 4.432 4.420 0.020 0.000 0.216 595 P CA 0.000 63.112 63.100 0.020 0.000 0.800 595 P CB 0.000 31.710 31.700 0.016 0.000 0.726