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 1nob_1_C DATA FIRST_RESID 403 DATA SEQUENCE TPYDPLTLWT TPDPPPNCSL IQELDAKLTL CLTKNGSIVN GIVSLVGVKG DATA SEQUENCE NLLNIQSTTT TVGVHLVFDE QGRLITSTPT ALVPQASWGY RQGQSVSTNT DATA SEQUENCE VTNGLGFMPN VSAYPRPNAS EAKSQMVSLT YLQGDTSKPI TMKVAFNGIT DATA SEQUENCE SLNGYSLTFM WSGLSNYINQ PFSTPSCSFS YITQE 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 403 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 403 T C 0.000 174.483 174.700 -0.362 0.000 1.109 403 T CA 0.000 61.866 62.100 -0.390 0.000 1.349 403 T CB 0.000 68.519 68.868 -0.581 0.000 0.612 404 P HA 0.207 4.627 4.420 -0.000 0.000 0.249 404 P C -0.356 176.891 177.300 -0.089 0.000 1.241 404 P CA 0.240 63.242 63.100 -0.163 0.000 0.781 404 P CB -0.290 31.366 31.700 -0.073 0.000 1.088 405 Y N -2.397 117.845 120.300 -0.095 0.000 2.715 405 Y HA 0.692 5.245 4.550 0.005 0.000 0.331 405 Y C -1.204 174.615 175.900 -0.136 0.000 1.197 405 Y CA -2.418 55.614 58.100 -0.115 0.000 1.079 405 Y CB -0.049 38.330 38.460 -0.135 0.000 1.298 405 Y HN -0.368 7.912 8.280 -0.000 0.000 0.477 406 D N 2.801 123.353 120.400 0.252 0.000 2.443 406 D HA 0.343 4.986 4.640 0.005 0.000 0.221 406 D C -1.907 174.550 176.300 0.262 0.000 1.097 406 D CA -2.755 51.331 54.000 0.144 0.000 0.865 406 D CB 1.438 42.229 40.800 -0.014 0.000 1.034 406 D HN 0.412 8.782 8.370 -0.000 0.000 0.511 407 P HA -0.070 4.350 4.420 -0.000 0.000 0.231 407 P C 1.014 178.589 177.300 0.458 0.000 1.158 407 P CA 0.463 63.731 63.100 0.280 0.000 0.763 407 P CB 0.454 32.281 31.700 0.211 0.000 0.805 408 L N -1.094 120.311 121.223 0.304 0.000 2.700 408 L HA 0.227 4.570 4.340 0.005 0.000 0.234 408 L C 0.271 177.358 176.870 0.362 0.000 1.156 408 L CA 0.313 55.314 54.840 0.269 0.000 0.946 408 L CB -0.030 42.066 42.059 0.061 0.000 1.216 408 L HN -0.128 8.102 8.230 -0.000 0.000 0.493 409 T N 0.900 115.639 114.554 0.307 0.000 2.952 409 T HA 0.551 4.904 4.350 0.005 0.000 0.305 409 T C -0.639 173.919 174.700 -0.237 0.000 1.064 409 T CA -0.312 61.824 62.100 0.061 0.000 1.008 409 T CB 2.528 71.307 68.868 -0.148 0.000 1.078 409 T HN -0.101 8.139 8.240 -0.000 0.000 0.459 410 L N 4.026 124.988 121.223 -0.435 0.000 2.406 410 L HA 0.701 5.044 4.340 0.005 0.000 0.270 410 L C -1.061 175.452 176.870 -0.595 0.000 0.982 410 L CA -0.872 53.499 54.840 -0.781 0.000 0.843 410 L CB 1.154 42.513 42.059 -1.168 0.000 1.225 410 L HN 0.688 8.918 8.230 -0.000 0.000 0.412 411 W N 1.960 122.868 121.300 -0.653 0.000 3.017 411 W HA 0.585 5.248 4.660 0.006 0.000 0.341 411 W C 0.449 176.859 176.519 -0.180 0.000 1.180 411 W CA -1.290 55.850 57.345 -0.342 0.000 1.097 411 W CB 0.446 29.846 29.460 -0.098 0.000 1.468 411 W HN 0.398 8.578 8.180 -0.000 0.000 0.584 412 T N -1.634 113.021 114.554 0.167 0.000 3.122 412 T HA 0.364 4.717 4.350 0.005 0.000 0.250 412 T C 0.539 175.053 174.700 -0.310 0.000 1.067 412 T CA 0.768 62.929 62.100 0.102 0.000 0.966 412 T CB -1.213 67.776 68.868 0.201 0.000 1.002 412 T HN 1.520 9.760 8.240 -0.000 0.000 0.542 413 T N -1.478 112.457 114.554 -1.031 0.000 0.541 413 T HA -0.080 4.274 4.350 0.005 0.000 0.774 413 T C -2.151 171.892 174.700 -1.094 0.000 0.992 413 T CA -0.236 60.992 62.100 -1.454 0.000 4.077 413 T CB -1.605 66.914 68.868 -0.581 0.000 2.303 413 T HN 0.116 8.356 8.240 -0.000 0.000 0.398 414 P HA -0.005 4.415 4.420 -0.000 0.000 0.215 414 P C 0.486 177.630 177.300 -0.259 0.000 1.153 414 P CA 2.174 64.974 63.100 -0.500 0.000 0.853 414 P CB -0.129 31.381 31.700 -0.317 0.000 0.788 415 D N -0.066 120.197 120.400 -0.229 0.000 2.613 415 D HA 0.219 4.863 4.640 0.005 0.000 0.312 415 D C -2.228 173.998 176.300 -0.123 0.000 1.202 415 D CA -2.243 51.674 54.000 -0.139 0.000 0.825 415 D CB 0.222 40.964 40.800 -0.097 0.000 1.113 415 D HN 0.084 8.454 8.370 -0.000 0.000 0.502 416 P HA 0.258 4.678 4.420 -0.000 0.000 0.272 416 P C -2.499 174.764 177.300 -0.062 0.000 1.230 416 P CA -0.974 62.071 63.100 -0.091 0.000 0.788 416 P CB 0.857 32.509 31.700 -0.081 0.000 0.949 417 P HA 0.347 4.767 4.420 -0.000 0.000 0.282 417 P C -2.663 174.619 177.300 -0.029 0.000 1.287 417 P CA -2.166 60.913 63.100 -0.035 0.000 0.792 417 P CB -0.965 30.719 31.700 -0.026 0.000 1.163 418 P HA 0.008 4.428 4.420 -0.000 0.000 0.264 418 P C 0.167 177.457 177.300 -0.016 0.000 1.183 418 P CA 0.736 63.824 63.100 -0.020 0.000 0.763 418 P CB -0.133 31.558 31.700 -0.016 0.000 0.807 419 N N 0.718 119.409 118.700 -0.014 0.000 2.193 419 N HA 0.107 4.851 4.740 0.005 0.000 0.236 419 N C -1.224 174.277 175.510 -0.015 0.000 1.347 419 N CA -0.060 52.982 53.050 -0.012 0.000 0.812 419 N CB -0.461 38.021 38.487 -0.008 0.000 1.297 419 N HN 0.163 8.543 8.380 -0.000 0.000 0.499 420 C N -0.249 119.045 119.300 -0.009 0.000 2.898 420 C HA 0.780 5.244 4.460 0.005 0.000 0.304 420 C C -0.425 174.566 174.990 0.001 0.000 1.237 420 C CA -0.551 58.465 59.018 -0.005 0.000 1.529 420 C CB 1.757 29.502 27.740 0.008 0.000 2.021 420 C HN 0.297 8.527 8.230 -0.000 0.000 0.474 421 S N 1.538 117.240 115.700 0.002 0.000 2.395 421 S HA 0.351 4.824 4.470 0.005 0.000 0.207 421 S C 0.665 175.272 174.600 0.011 0.000 1.454 421 S CA -0.450 57.752 58.200 0.004 0.000 1.211 421 S CB 0.260 63.458 63.200 -0.004 0.000 1.093 421 S HN 0.602 8.912 8.310 -0.000 0.000 0.472 422 L N 1.467 122.702 121.223 0.020 0.000 2.071 422 L HA 0.160 4.503 4.340 0.005 0.000 0.201 422 L C 1.527 178.406 176.870 0.015 0.000 1.076 422 L CA 1.241 56.097 54.840 0.027 0.000 0.755 422 L CB -0.319 41.762 42.059 0.038 0.000 0.915 422 L HN 0.539 8.769 8.230 -0.000 0.000 0.445 423 I N -1.344 119.230 120.570 0.007 0.000 2.962 423 I HA -0.015 4.158 4.170 0.005 0.000 0.246 423 I C 1.072 177.188 176.117 -0.001 0.000 1.091 423 I CA 0.143 61.442 61.300 -0.001 0.000 1.469 423 I CB 0.201 38.197 38.000 -0.007 0.000 1.324 423 I HN 0.254 8.464 8.210 -0.000 0.000 0.461 424 Q N 1.491 121.290 119.800 -0.000 0.000 2.252 424 Q HA 0.353 4.696 4.340 0.005 0.000 0.256 424 Q C -0.420 175.580 176.000 -0.001 0.000 1.020 424 Q CA -0.701 55.101 55.803 -0.002 0.000 0.913 424 Q CB 1.292 30.029 28.738 -0.002 0.000 1.286 424 Q HN 0.098 8.368 8.270 -0.000 0.000 0.480 425 E N 0.948 121.147 120.200 -0.003 0.000 2.417 425 E HA 0.048 4.401 4.350 0.005 0.000 0.261 425 E C -0.568 176.030 176.600 -0.003 0.000 1.000 425 E CA -0.099 56.298 56.400 -0.004 0.000 0.919 425 E CB 0.080 29.777 29.700 -0.005 0.000 0.955 425 E HN 0.585 8.945 8.360 -0.000 0.000 0.455 426 L N 4.583 125.804 121.223 -0.003 0.000 3.826 426 L HA -0.255 4.089 4.340 0.005 0.000 0.566 426 L C -0.222 176.647 176.870 -0.001 0.000 1.217 426 L CA 0.628 55.466 54.840 -0.003 0.000 0.823 426 L CB -1.165 40.891 42.059 -0.006 0.000 1.381 426 L HN 0.676 8.906 8.230 -0.000 0.000 0.825 427 D N -1.044 119.358 120.400 0.004 0.000 2.440 427 D HA 0.542 5.186 4.640 0.005 0.000 0.216 427 D C 0.490 176.798 176.300 0.014 0.000 1.150 427 D CA 0.588 54.593 54.000 0.008 0.000 0.832 427 D CB 0.739 41.546 40.800 0.012 0.000 0.992 427 D HN 0.471 8.841 8.370 -0.000 0.000 0.502 428 A N -0.123 122.701 122.820 0.007 0.000 2.604 428 A HA 0.604 4.927 4.320 0.005 0.000 0.295 428 A C -1.383 176.193 177.584 -0.014 0.000 1.067 428 A CA -1.044 50.995 52.037 0.004 0.000 0.683 428 A CB 1.413 20.430 19.000 0.029 0.000 1.281 428 A HN -0.020 8.130 8.150 -0.000 0.000 0.407 429 K N 0.731 121.111 120.400 -0.034 0.000 2.265 429 K HA 0.564 4.887 4.320 0.005 0.000 0.267 429 K C -1.531 175.037 176.600 -0.054 0.000 0.994 429 K CA -0.507 55.753 56.287 -0.044 0.000 0.860 429 K CB 1.861 34.327 32.500 -0.057 0.000 1.099 429 K HN 0.491 8.741 8.250 -0.000 0.000 0.448 430 L N 2.494 123.696 121.223 -0.035 0.000 2.313 430 L HA 0.386 4.729 4.340 0.005 0.000 0.283 430 L C -0.960 175.904 176.870 -0.010 0.000 1.013 430 L CA 0.123 54.945 54.840 -0.030 0.000 0.816 430 L CB 1.934 43.988 42.059 -0.009 0.000 1.236 430 L HN 0.490 8.720 8.230 -0.000 0.000 0.419 431 T N 6.193 120.739 114.554 -0.012 0.000 2.791 431 T HA 0.615 4.968 4.350 0.005 0.000 0.288 431 T C -1.159 173.596 174.700 0.091 0.000 0.999 431 T CA -0.225 61.885 62.100 0.016 0.000 0.952 431 T CB 0.979 69.834 68.868 -0.022 0.000 0.938 431 T HN 0.410 8.650 8.240 -0.000 0.000 0.444 432 L N 3.369 124.713 121.223 0.202 0.000 2.410 432 L HA 0.766 5.109 4.340 0.005 0.000 0.270 432 L C -1.225 175.901 176.870 0.426 0.000 0.983 432 L CA -0.562 54.483 54.840 0.341 0.000 0.822 432 L CB 1.670 43.995 42.059 0.444 0.000 1.285 432 L HN 0.829 9.059 8.230 -0.000 0.000 0.409 433 C N 6.377 125.907 119.300 0.384 0.000 2.364 433 C HA 0.699 5.162 4.460 0.005 0.000 0.324 433 C C -0.935 174.217 174.990 0.270 0.000 1.234 433 C CA -0.774 58.445 59.018 0.334 0.000 1.417 433 C CB 0.190 28.111 27.740 0.303 0.000 2.101 433 C HN 0.778 9.008 8.230 -0.000 0.000 0.466 434 L N 6.201 127.565 121.223 0.236 0.000 2.316 434 L HA 0.476 4.820 4.340 0.005 0.000 0.280 434 L C 0.015 177.009 176.870 0.207 0.000 1.006 434 L CA 0.116 55.106 54.840 0.250 0.000 0.836 434 L CB 1.837 44.137 42.059 0.401 0.000 1.221 434 L HN 0.625 8.855 8.230 -0.000 0.000 0.418 435 T N 2.481 117.100 114.554 0.108 0.000 2.786 435 T HA 0.269 4.622 4.350 0.005 0.000 0.283 435 T C -0.324 174.367 174.700 -0.014 0.000 0.992 435 T CA -0.620 61.528 62.100 0.080 0.000 0.954 435 T CB 1.829 70.698 68.868 0.003 0.000 0.934 435 T HN 0.378 8.618 8.240 -0.000 0.000 0.440 436 K N 2.960 123.323 120.400 -0.062 0.000 2.201 436 K HA 0.402 4.726 4.320 0.005 0.000 0.278 436 K C -0.541 175.952 176.600 -0.178 0.000 1.027 436 K CA -0.562 55.579 56.287 -0.243 0.000 0.909 436 K CB 0.421 32.573 32.500 -0.579 0.000 1.062 436 K HN 0.528 8.778 8.250 -0.000 0.000 0.465 437 N N 3.477 122.074 118.700 -0.172 0.000 2.648 437 N HA 0.276 5.019 4.740 0.005 0.000 0.261 437 N C -0.160 175.274 175.510 -0.127 0.000 1.138 437 N CA 0.641 53.615 53.050 -0.128 0.000 0.804 437 N CB 1.160 39.585 38.487 -0.102 0.000 1.237 437 N HN 0.910 9.290 8.380 -0.000 0.000 0.532 438 G N 1.641 110.367 108.800 -0.123 0.000 2.536 438 G HA2 -0.318 3.645 3.960 0.005 0.000 0.280 438 G HA3 -0.318 3.645 3.960 0.005 0.000 0.280 438 G C 0.669 175.495 174.900 -0.124 0.000 1.152 438 G CA 0.264 45.300 45.100 -0.107 0.000 0.970 438 G HN 0.772 9.062 8.290 -0.000 0.000 0.549 439 S N 0.371 116.008 115.700 -0.104 0.000 2.671 439 S HA 0.520 4.993 4.470 0.005 0.000 0.220 439 S C 0.740 175.269 174.600 -0.119 0.000 0.951 439 S CA 0.557 58.697 58.200 -0.099 0.000 0.932 439 S CB -0.615 62.542 63.200 -0.072 0.000 0.777 439 S HN 0.500 8.810 8.310 -0.000 0.000 0.508 440 I N 0.631 121.106 120.570 -0.157 0.000 2.730 440 I HA 0.433 4.606 4.170 0.005 0.000 0.298 440 I C -1.113 174.826 176.117 -0.297 0.000 1.089 440 I CA -1.031 60.141 61.300 -0.214 0.000 1.041 440 I CB 2.448 40.349 38.000 -0.164 0.000 1.235 440 I HN -0.252 7.958 8.210 -0.000 0.000 0.423 441 V N 4.627 124.252 119.914 -0.483 0.000 2.409 441 V HA 0.338 4.462 4.120 0.005 0.000 0.291 441 V C -0.175 175.648 176.094 -0.451 0.000 1.020 441 V CA -0.764 61.243 62.300 -0.489 0.000 0.848 441 V CB 1.626 33.046 31.823 -0.672 0.000 0.990 441 V HN 0.621 8.811 8.190 -0.000 0.000 0.430 442 N N 3.240 121.768 118.700 -0.287 0.000 2.499 442 N HA 0.557 5.301 4.740 0.005 0.000 0.281 442 N C 0.094 175.384 175.510 -0.367 0.000 1.098 442 N CA 0.124 53.008 53.050 -0.277 0.000 0.979 442 N CB 2.224 40.615 38.487 -0.160 0.000 1.121 442 N HN 0.858 9.238 8.380 -0.000 0.000 0.466 443 G N 0.873 109.272 108.800 -0.668 0.000 2.620 443 G HA2 0.724 4.687 3.960 0.005 0.000 0.301 443 G HA3 0.724 4.687 3.960 0.005 0.000 0.301 443 G C -0.905 173.668 174.900 -0.545 0.000 1.347 443 G CA -0.437 44.075 45.100 -0.979 0.000 0.971 443 G HN 0.443 8.733 8.290 -0.000 0.000 0.488 444 I N 1.200 121.776 120.570 0.010 0.000 2.534 444 I HA 0.500 4.674 4.170 0.005 0.000 0.288 444 I C -0.788 175.546 176.117 0.363 0.000 1.077 444 I CA -1.082 60.349 61.300 0.217 0.000 1.051 444 I CB 2.180 40.260 38.000 0.133 0.000 1.234 444 I HN 0.368 8.578 8.210 -0.000 0.000 0.425 445 V N 4.850 124.971 119.914 0.345 0.000 3.040 445 V HA 0.804 4.927 4.120 0.005 0.000 0.312 445 V C -1.071 175.053 176.094 0.051 0.000 1.115 445 V CA -0.145 62.238 62.300 0.138 0.000 0.998 445 V CB 2.507 34.217 31.823 -0.188 0.000 1.042 445 V HN 0.779 8.969 8.190 -0.000 0.000 0.433 446 S N 3.914 119.586 115.700 -0.047 0.000 2.543 446 S HA 0.714 5.187 4.470 0.005 0.000 0.273 446 S C -2.130 172.345 174.600 -0.208 0.000 1.152 446 S CA -0.435 57.688 58.200 -0.128 0.000 0.910 446 S CB 1.501 64.649 63.200 -0.087 0.000 1.105 446 S HN 1.023 9.333 8.310 -0.000 0.000 0.465 447 L N 4.861 125.858 121.223 -0.377 0.000 2.409 447 L HA 0.855 5.199 4.340 0.005 0.000 0.272 447 L C -1.241 175.380 176.870 -0.415 0.000 0.980 447 L CA -0.534 54.085 54.840 -0.368 0.000 0.826 447 L CB 1.766 43.546 42.059 -0.464 0.000 1.268 447 L HN 0.553 8.783 8.230 -0.000 0.000 0.407 448 V N 5.163 124.928 119.914 -0.248 0.000 2.443 448 V HA 0.809 4.932 4.120 0.005 0.000 0.293 448 V C 0.285 176.315 176.094 -0.106 0.000 1.021 448 V CA -0.023 62.146 62.300 -0.219 0.000 0.848 448 V CB 1.408 33.133 31.823 -0.165 0.000 0.998 448 V HN 0.924 9.114 8.190 -0.000 0.000 0.424 449 G N 4.110 112.877 108.800 -0.056 0.000 2.378 449 G HA2 0.430 4.394 3.960 0.005 0.000 0.255 449 G HA3 0.430 4.394 3.960 0.005 0.000 0.255 449 G C 0.660 175.563 174.900 0.006 0.000 1.270 449 G CA 0.307 45.433 45.100 0.043 0.000 0.876 449 G HN 1.650 9.940 8.290 -0.000 0.000 0.521 450 V N -0.663 119.254 119.914 0.006 0.000 3.562 450 V HA 0.503 4.626 4.120 0.005 0.000 0.270 450 V C 0.543 176.638 176.094 0.002 0.000 1.418 450 V CA 0.351 62.649 62.300 -0.004 0.000 1.033 450 V CB -0.206 31.609 31.823 -0.014 0.000 0.820 450 V HN 0.477 8.667 8.190 -0.000 0.000 0.441 451 K N 0.300 120.706 120.400 0.009 0.000 2.375 451 K HA 0.597 4.920 4.320 0.005 0.000 0.249 451 K C 0.811 177.418 176.600 0.011 0.000 0.942 451 K CA 0.204 56.495 56.287 0.007 0.000 0.806 451 K CB 1.882 34.384 32.500 0.004 0.000 1.227 451 K HN 0.499 8.749 8.250 -0.000 0.000 0.430 452 G N 3.030 111.834 108.800 0.007 0.000 2.634 452 G HA2 -0.419 3.544 3.960 0.005 0.000 0.309 452 G HA3 -0.419 3.544 3.960 0.005 0.000 0.309 452 G C 0.619 175.524 174.900 0.009 0.000 1.265 452 G CA 0.824 45.927 45.100 0.006 0.000 0.998 452 G HN 0.791 9.081 8.290 -0.000 0.000 0.551 453 N N 0.603 119.305 118.700 0.003 0.000 2.417 453 N HA -0.013 4.731 4.740 0.005 0.000 0.187 453 N C 2.177 177.694 175.510 0.011 0.000 1.027 453 N CA 1.368 54.418 53.050 -0.001 0.000 0.891 453 N CB -0.212 38.264 38.487 -0.019 0.000 0.956 453 N HN 0.497 8.877 8.380 -0.000 0.000 0.442 454 L N -0.569 120.670 121.223 0.027 0.000 2.395 454 L HA 0.015 4.359 4.340 0.005 0.000 0.218 454 L C 1.613 178.540 176.870 0.094 0.000 1.130 454 L CA 0.527 55.415 54.840 0.079 0.000 0.826 454 L CB -0.151 41.961 42.059 0.089 0.000 0.941 454 L HN 0.208 8.438 8.230 -0.000 0.000 0.451 455 L N -0.967 120.286 121.223 0.050 0.000 2.202 455 L HA 0.047 4.390 4.340 0.005 0.000 0.205 455 L C 0.108 177.003 176.870 0.041 0.000 1.083 455 L CA 0.561 55.423 54.840 0.037 0.000 0.790 455 L CB 0.069 42.139 42.059 0.019 0.000 0.942 455 L HN 0.215 8.445 8.230 -0.000 0.000 0.452 456 N N -0.273 118.450 118.700 0.038 0.000 2.504 456 N HA 0.378 5.121 4.740 0.005 0.000 0.280 456 N C -0.861 174.671 175.510 0.037 0.000 1.052 456 N CA -0.283 52.790 53.050 0.038 0.000 0.887 456 N CB 1.554 40.056 38.487 0.025 0.000 1.323 456 N HN -0.027 8.353 8.380 -0.000 0.000 0.509 457 I N 1.997 122.599 120.570 0.054 0.000 2.533 457 I HA 0.040 4.214 4.170 0.005 0.000 0.284 457 I C 0.499 176.632 176.117 0.026 0.000 1.109 457 I CA -0.190 61.135 61.300 0.042 0.000 1.412 457 I CB 0.422 38.473 38.000 0.086 0.000 1.396 457 I HN 0.246 8.456 8.210 -0.000 0.000 0.543 458 Q N 3.758 123.561 119.800 0.005 0.000 2.212 458 Q HA 0.198 4.542 4.340 0.005 0.000 0.238 458 Q C 1.287 177.283 176.000 -0.005 0.000 0.955 458 Q CA -0.277 55.526 55.803 -0.000 0.000 0.906 458 Q CB 1.427 30.161 28.738 -0.008 0.000 1.215 458 Q HN 0.807 9.077 8.270 -0.000 0.000 0.478 459 S N -0.152 115.544 115.700 -0.007 0.000 2.387 459 S HA -0.190 4.283 4.470 0.005 0.000 0.230 459 S C 1.522 176.111 174.600 -0.018 0.000 1.035 459 S CA 2.088 60.280 58.200 -0.014 0.000 1.014 459 S CB -0.604 62.588 63.200 -0.014 0.000 0.836 459 S HN 0.756 9.066 8.310 -0.000 0.000 0.466 460 T N -1.655 112.889 114.554 -0.018 0.000 3.088 460 T HA 0.114 4.467 4.350 0.005 0.000 0.259 460 T C 0.705 175.389 174.700 -0.027 0.000 1.122 460 T CA 0.451 62.539 62.100 -0.021 0.000 1.095 460 T CB -0.699 68.157 68.868 -0.019 0.000 0.930 460 T HN 0.289 8.529 8.240 -0.000 0.000 0.508 461 T N 3.115 117.651 114.554 -0.031 0.000 2.961 461 T HA 0.209 4.562 4.350 0.005 0.000 0.270 461 T C 0.938 175.610 174.700 -0.047 0.000 0.926 461 T CA 0.029 62.099 62.100 -0.050 0.000 1.112 461 T CB 0.402 69.234 68.868 -0.060 0.000 0.926 461 T HN 0.321 8.561 8.240 -0.000 0.000 0.612 462 T N 2.380 116.907 114.554 -0.044 0.000 3.039 462 T HA 0.119 4.472 4.350 0.005 0.000 0.250 462 T C 0.968 175.650 174.700 -0.030 0.000 1.052 462 T CA 0.421 62.504 62.100 -0.029 0.000 1.125 462 T CB 0.435 69.289 68.868 -0.023 0.000 0.908 462 T HN 0.479 8.719 8.240 -0.000 0.000 0.473 463 T N 0.985 115.505 114.554 -0.056 0.000 2.865 463 T HA 0.678 5.031 4.350 0.005 0.000 0.294 463 T C -1.470 173.156 174.700 -0.123 0.000 1.119 463 T CA -0.570 61.497 62.100 -0.054 0.000 1.007 463 T CB 2.574 71.427 68.868 -0.026 0.000 1.225 463 T HN -0.143 8.097 8.240 -0.000 0.000 0.515 464 V N 0.892 120.752 119.914 -0.089 0.000 2.610 464 V HA 0.780 4.903 4.120 0.005 0.000 0.298 464 V C 0.112 176.317 176.094 0.186 0.000 1.067 464 V CA -0.626 61.612 62.300 -0.104 0.000 0.894 464 V CB 1.614 33.088 31.823 -0.582 0.000 1.015 464 V HN 1.155 9.345 8.190 -0.000 0.000 0.432 465 G N 2.125 110.989 108.800 0.106 0.000 2.658 465 G HA2 0.835 4.798 3.960 0.005 0.000 0.292 465 G HA3 0.835 4.798 3.960 0.005 0.000 0.292 465 G C -1.291 173.639 174.900 0.049 0.000 1.320 465 G CA -0.647 44.489 45.100 0.060 0.000 0.933 465 G HN 1.400 9.690 8.290 -0.000 0.000 0.476 466 V N -0.791 119.118 119.914 -0.008 0.000 2.668 466 V HA 0.739 4.862 4.120 0.005 0.000 0.304 466 V C -1.231 174.793 176.094 -0.118 0.000 1.071 466 V CA -0.975 61.351 62.300 0.043 0.000 0.894 466 V CB 0.926 32.877 31.823 0.214 0.000 1.008 466 V HN 0.854 9.044 8.190 -0.000 0.000 0.425 467 H N 5.090 124.166 119.070 0.010 0.000 2.559 467 H HA 0.878 5.437 4.556 0.006 0.000 0.343 467 H C -0.530 174.763 175.328 -0.059 0.000 1.209 467 H CA -0.852 55.160 56.048 -0.060 0.000 1.287 467 H CB 1.800 31.512 29.762 -0.084 0.000 1.650 467 H HN 0.744 9.024 8.280 -0.000 0.000 0.567 468 L N 1.635 122.887 121.223 0.049 0.000 2.528 468 L HA 0.371 4.714 4.340 0.005 0.000 0.267 468 L C -1.244 175.569 176.870 -0.096 0.000 0.961 468 L CA -0.793 53.980 54.840 -0.112 0.000 0.866 468 L CB 1.808 43.816 42.059 -0.084 0.000 1.248 468 L HN 0.290 8.520 8.230 -0.000 0.000 0.404 469 V N 2.694 122.462 119.914 -0.243 0.000 2.547 469 V HA 0.563 4.687 4.120 0.005 0.000 0.299 469 V C -0.585 175.339 176.094 -0.284 0.000 1.040 469 V CA -0.429 61.817 62.300 -0.089 0.000 0.913 469 V CB 1.895 33.681 31.823 -0.061 0.000 0.992 469 V HN 0.349 8.539 8.190 -0.000 0.000 0.449 470 F N 1.695 121.694 119.950 0.082 0.000 2.546 470 F HA 0.535 5.065 4.527 0.005 0.000 0.320 470 F C 0.368 176.256 175.800 0.146 0.000 1.076 470 F CA -1.408 56.669 58.000 0.129 0.000 0.928 470 F CB 1.216 40.339 39.000 0.204 0.000 1.189 470 F HN 0.689 8.989 8.300 -0.000 0.000 0.465 471 D N -0.137 120.439 120.400 0.293 0.000 2.314 471 D HA 0.019 4.662 4.640 0.005 0.000 0.252 471 D C 0.878 177.338 176.300 0.266 0.000 1.295 471 D CA -0.221 53.899 54.000 0.199 0.000 0.995 471 D CB 0.109 40.995 40.800 0.142 0.000 1.125 471 D HN 0.772 9.142 8.370 -0.000 0.000 0.537 472 E N -1.774 118.528 120.200 0.170 0.000 2.515 472 E HA -0.171 4.182 4.350 0.005 0.000 0.201 472 E C 0.449 177.215 176.600 0.277 0.000 1.071 472 E CA 0.520 57.032 56.400 0.187 0.000 0.880 472 E CB -0.276 29.478 29.700 0.090 0.000 0.828 472 E HN 0.261 8.621 8.360 -0.000 0.000 0.540 473 Q N -0.081 119.873 119.800 0.257 0.000 2.135 473 Q HA 0.175 4.518 4.340 0.005 0.000 0.231 473 Q C 0.616 176.750 176.000 0.223 0.000 0.817 473 Q CA 0.331 56.263 55.803 0.214 0.000 1.073 473 Q CB 1.245 30.079 28.738 0.159 0.000 1.176 473 Q HN 0.469 8.739 8.270 -0.000 0.000 0.478 474 G N 1.853 110.828 108.800 0.292 0.000 2.168 474 G HA2 -0.340 3.624 3.960 0.005 0.000 0.257 474 G HA3 -0.340 3.624 3.960 0.005 0.000 0.257 474 G C 0.035 175.197 174.900 0.437 0.000 0.997 474 G CA 0.225 45.482 45.100 0.263 0.000 0.708 474 G HN 0.248 8.538 8.290 -0.000 0.000 0.520 475 R N -0.700 120.031 120.500 0.385 0.000 2.265 475 R HA 0.555 4.898 4.340 0.005 0.000 0.319 475 R C 0.411 176.857 176.300 0.244 0.000 1.006 475 R CA -0.978 55.310 56.100 0.314 0.000 0.880 475 R CB 1.303 31.713 30.300 0.184 0.000 1.077 475 R HN 0.198 8.468 8.270 -0.000 0.000 0.454 476 L N 4.334 125.622 121.223 0.108 0.000 2.499 476 L HA 0.110 4.453 4.340 0.005 0.000 0.273 476 L C -0.507 176.242 176.870 -0.202 0.000 1.195 476 L CA 0.787 55.404 54.840 -0.372 0.000 0.882 476 L CB 0.295 42.038 42.059 -0.527 0.000 1.133 476 L HN 0.533 8.763 8.230 -0.000 0.000 0.483 477 I N 4.412 124.836 120.570 -0.243 0.000 2.312 477 I HA 0.163 4.337 4.170 0.005 0.000 0.290 477 I C 0.470 176.484 176.117 -0.171 0.000 1.008 477 I CA -0.377 60.843 61.300 -0.133 0.000 1.226 477 I CB 1.154 39.100 38.000 -0.089 0.000 1.371 477 I HN 0.699 8.909 8.210 -0.000 0.000 0.468 478 T N 1.447 115.927 114.554 -0.124 0.000 3.843 478 T HA 0.297 4.650 4.350 0.005 0.000 0.227 478 T C 0.152 174.802 174.700 -0.084 0.000 1.043 478 T CA -0.617 61.411 62.100 -0.120 0.000 1.012 478 T CB -0.711 68.103 68.868 -0.088 0.000 1.279 478 T HN 0.581 8.821 8.240 -0.000 0.000 0.730 479 S N -0.138 115.510 115.700 -0.087 0.000 2.546 479 S HA 0.605 5.078 4.470 0.005 0.000 0.274 479 S C -0.084 174.474 174.600 -0.071 0.000 1.121 479 S CA -0.988 57.173 58.200 -0.065 0.000 0.887 479 S CB 1.050 64.220 63.200 -0.051 0.000 1.094 479 S HN 0.621 8.931 8.310 -0.000 0.000 0.474 480 T N 0.402 114.921 114.554 -0.058 0.000 2.897 480 T HA 0.137 4.491 4.350 0.005 0.000 0.304 480 T C -1.263 173.388 174.700 -0.080 0.000 1.051 480 T CA -0.203 61.860 62.100 -0.062 0.000 1.132 480 T CB -0.608 68.229 68.868 -0.051 0.000 1.066 480 T HN 0.665 8.905 8.240 -0.000 0.000 0.518 481 P HA 0.098 4.518 4.420 -0.000 0.000 0.255 481 P C 0.007 177.277 177.300 -0.049 0.000 1.301 481 P CA -0.331 62.707 63.100 -0.105 0.000 0.817 481 P CB -0.133 31.424 31.700 -0.240 0.000 1.259 482 T N 0.960 115.469 114.554 -0.074 0.000 2.902 482 T HA 0.204 4.557 4.350 0.005 0.000 0.301 482 T C 1.624 176.290 174.700 -0.056 0.000 1.012 482 T CA 0.406 62.453 62.100 -0.089 0.000 1.151 482 T CB 1.167 69.932 68.868 -0.171 0.000 0.946 482 T HN 0.050 8.290 8.240 -0.000 0.000 0.542 483 A N 4.498 127.297 122.820 -0.035 0.000 1.854 483 A HA 0.132 4.455 4.320 0.005 0.000 0.214 483 A C 1.068 178.622 177.584 -0.051 0.000 1.192 483 A CA 0.702 52.731 52.037 -0.013 0.000 0.611 483 A CB -0.517 18.498 19.000 0.026 0.000 0.832 483 A HN 0.769 8.919 8.150 -0.000 0.000 0.442 484 L N 1.727 122.888 121.223 -0.104 0.000 2.513 484 L HA 0.157 4.500 4.340 0.005 0.000 0.272 484 L C 0.537 177.352 176.870 -0.091 0.000 1.187 484 L CA -0.607 54.168 54.840 -0.109 0.000 0.895 484 L CB 0.425 42.372 42.059 -0.188 0.000 1.147 484 L HN 0.385 8.615 8.230 -0.000 0.000 0.483 485 V N 2.761 122.643 119.914 -0.053 0.000 3.133 485 V HA 0.203 4.327 4.120 0.005 0.000 0.305 485 V C -1.127 174.947 176.094 -0.035 0.000 1.084 485 V CA -1.121 61.155 62.300 -0.040 0.000 1.089 485 V CB 0.424 32.233 31.823 -0.023 0.000 1.073 485 V HN 0.678 8.868 8.190 -0.000 0.000 0.477 486 P HA -0.235 4.185 4.420 -0.000 0.000 0.217 486 P C 1.194 178.495 177.300 0.002 0.000 1.148 486 P CA 2.080 65.170 63.100 -0.015 0.000 0.828 486 P CB 0.075 31.767 31.700 -0.013 0.000 0.783 487 Q N -0.852 118.950 119.800 0.002 0.000 2.403 487 Q HA 0.343 4.686 4.340 0.005 0.000 0.203 487 Q C 0.887 176.899 176.000 0.020 0.000 0.932 487 Q CA -0.136 55.674 55.803 0.012 0.000 0.945 487 Q CB -0.231 28.511 28.738 0.006 0.000 1.045 487 Q HN 0.058 8.328 8.270 -0.000 0.000 0.511 488 A N 1.359 124.192 122.820 0.021 0.000 2.425 488 A HA 0.354 4.678 4.320 0.005 0.000 0.249 488 A C -0.002 177.632 177.584 0.085 0.000 1.084 488 A CA -0.487 51.573 52.037 0.037 0.000 0.781 488 A CB 0.609 19.620 19.000 0.019 0.000 1.019 488 A HN 0.272 8.422 8.150 -0.000 0.000 0.490 489 S N 1.990 117.744 115.700 0.091 0.000 2.564 489 S HA 0.432 4.906 4.470 0.005 0.000 0.278 489 S C -0.569 174.195 174.600 0.274 0.000 1.333 489 S CA 0.001 58.275 58.200 0.125 0.000 1.048 489 S CB 0.188 63.419 63.200 0.053 0.000 0.900 489 S HN 0.757 9.067 8.310 -0.000 0.000 0.505 490 W N 1.537 122.850 121.300 0.022 0.000 4.160 490 W HA 0.435 5.099 4.660 0.005 0.000 0.293 490 W C -0.568 175.956 176.519 0.008 0.000 1.210 490 W CA -0.386 56.977 57.345 0.031 0.000 1.365 490 W CB 0.559 30.021 29.460 0.004 0.000 1.114 490 W HN 0.993 9.173 8.180 -0.000 0.000 0.434 491 G N 2.949 111.421 108.800 -0.548 0.000 2.325 491 G HA2 0.343 4.306 3.960 0.005 0.000 0.295 491 G HA3 0.343 4.306 3.960 0.005 0.000 0.295 491 G C -1.989 172.612 174.900 -0.499 0.000 1.274 491 G CA -0.919 43.854 45.100 -0.544 0.000 0.857 491 G HN 0.288 8.578 8.290 -0.000 0.000 0.499 492 Y N 0.685 120.745 120.300 -0.399 0.000 2.397 492 Y HA 0.507 5.060 4.550 0.006 0.000 0.335 492 Y C 1.432 177.143 175.900 -0.315 0.000 1.213 492 Y CA -0.139 57.714 58.100 -0.411 0.000 1.391 492 Y CB 0.568 38.719 38.460 -0.515 0.000 1.293 492 Y HN 0.594 8.874 8.280 -0.000 0.000 0.557 493 R N 2.215 122.512 120.500 -0.339 0.000 2.643 493 R HA 0.119 4.462 4.340 0.005 0.000 0.270 493 R C -0.813 175.421 176.300 -0.111 0.000 1.061 493 R CA -0.101 55.656 56.100 -0.570 0.000 1.107 493 R CB 0.373 29.975 30.300 -1.162 0.000 0.999 493 R HN 0.879 9.149 8.270 -0.000 0.000 0.460 494 Q N 3.323 123.142 119.800 0.033 0.000 2.759 494 Q HA 0.251 4.595 4.340 0.005 0.000 0.225 494 Q C -0.284 175.798 176.000 0.137 0.000 0.823 494 Q CA 0.236 56.105 55.803 0.110 0.000 0.828 494 Q CB 1.123 29.961 28.738 0.167 0.000 1.425 494 Q HN 1.022 9.292 8.270 -0.000 0.000 0.449 495 G N 2.518 111.370 108.800 0.087 0.000 2.583 495 G HA2 -0.347 3.616 3.960 0.005 0.000 0.292 495 G HA3 -0.347 3.616 3.960 0.005 0.000 0.292 495 G C 0.310 175.369 174.900 0.266 0.000 1.203 495 G CA 0.475 45.649 45.100 0.124 0.000 0.987 495 G HN 0.580 8.870 8.290 -0.000 0.000 0.554 496 Q N 0.408 120.382 119.800 0.290 0.000 2.319 496 Q HA 0.363 4.706 4.340 0.005 0.000 0.202 496 Q C 1.275 177.482 176.000 0.346 0.000 0.896 496 Q CA 0.897 56.931 55.803 0.384 0.000 0.942 496 Q CB 0.740 29.581 28.738 0.172 0.000 1.083 496 Q HN 0.533 8.803 8.270 -0.000 0.000 0.510 497 S N -0.194 115.714 115.700 0.347 0.000 2.766 497 S HA 0.599 5.072 4.470 0.005 0.000 0.307 497 S C -0.311 174.531 174.600 0.404 0.000 1.121 497 S CA -0.718 57.639 58.200 0.262 0.000 0.980 497 S CB 1.342 64.633 63.200 0.151 0.000 1.159 497 S HN 0.014 8.324 8.310 -0.000 0.000 0.546 498 V N 0.966 121.046 119.914 0.277 0.000 2.612 498 V HA 0.703 4.826 4.120 0.005 0.000 0.301 498 V C 0.432 176.617 176.094 0.152 0.000 1.046 498 V CA -0.833 61.622 62.300 0.257 0.000 0.946 498 V CB 1.096 33.026 31.823 0.178 0.000 1.003 498 V HN 0.764 8.954 8.190 -0.000 0.000 0.459 499 S N 1.762 117.531 115.700 0.115 0.000 2.584 499 S HA 0.294 4.767 4.470 0.005 0.000 0.273 499 S C 1.355 175.999 174.600 0.073 0.000 1.311 499 S CA 0.191 58.443 58.200 0.086 0.000 1.034 499 S CB 1.208 64.398 63.200 -0.017 0.000 0.939 499 S HN 1.233 9.543 8.310 -0.000 0.000 0.513 500 T N 1.558 116.158 114.554 0.077 0.000 3.081 500 T HA 0.125 4.478 4.350 0.005 0.000 0.255 500 T C 0.496 175.240 174.700 0.074 0.000 1.113 500 T CA -0.066 62.077 62.100 0.071 0.000 1.082 500 T CB -0.618 68.291 68.868 0.068 0.000 0.939 500 T HN 0.575 8.815 8.240 -0.000 0.000 0.506 501 N N 3.214 121.956 118.700 0.071 0.000 2.374 501 N HA 0.208 4.951 4.740 0.005 0.000 0.241 501 N C 0.355 175.944 175.510 0.131 0.000 1.262 501 N CA 0.535 53.633 53.050 0.081 0.000 0.880 501 N CB 0.444 38.934 38.487 0.006 0.000 1.105 501 N HN 0.550 8.930 8.380 -0.000 0.000 0.438 502 T N -2.592 112.043 114.554 0.135 0.000 2.913 502 T HA 0.356 4.710 4.350 0.005 0.000 0.287 502 T C 0.074 174.902 174.700 0.213 0.000 1.008 502 T CA -1.017 61.163 62.100 0.133 0.000 1.067 502 T CB 0.552 69.482 68.868 0.105 0.000 0.996 502 T HN 0.108 8.348 8.240 -0.000 0.000 0.513 503 V N 3.752 123.735 119.914 0.115 0.000 2.397 503 V HA 0.185 4.308 4.120 0.005 0.000 0.262 503 V C 1.760 177.970 176.094 0.194 0.000 1.047 503 V CA 0.326 62.692 62.300 0.110 0.000 1.003 503 V CB -0.149 31.593 31.823 -0.135 0.000 1.037 503 V HN 1.212 9.402 8.190 -0.000 0.000 0.480 504 T N 0.198 114.916 114.554 0.274 0.000 3.086 504 T HA 0.030 4.383 4.350 0.005 0.000 0.250 504 T C 0.754 175.570 174.700 0.194 0.000 1.074 504 T CA 0.340 62.556 62.100 0.195 0.000 0.988 504 T CB -0.335 68.631 68.868 0.163 0.000 0.988 504 T HN 0.686 8.926 8.240 -0.000 0.000 0.530 505 N N 0.305 119.160 118.700 0.259 0.000 2.497 505 N HA 0.341 5.085 4.740 0.005 0.000 0.284 505 N C 1.466 177.156 175.510 0.300 0.000 1.459 505 N CA -0.265 52.930 53.050 0.241 0.000 0.899 505 N CB -0.031 38.608 38.487 0.253 0.000 1.316 505 N HN 0.207 8.587 8.380 -0.000 0.000 0.500 506 G N 0.806 109.752 108.800 0.243 0.000 2.469 506 G HA2 -0.223 3.740 3.960 0.005 0.000 0.219 506 G HA3 -0.223 3.740 3.960 0.005 0.000 0.219 506 G C 1.221 176.225 174.900 0.172 0.000 1.150 506 G CA 0.651 45.894 45.100 0.239 0.000 0.763 506 G HN 0.353 8.643 8.290 -0.000 0.000 0.561 507 L N 0.870 122.140 121.223 0.077 0.000 2.187 507 L HA -0.052 4.292 4.340 0.005 0.000 0.213 507 L C 3.086 179.919 176.870 -0.063 0.000 1.100 507 L CA 0.846 55.656 54.840 -0.049 0.000 0.765 507 L CB -0.669 41.387 42.059 -0.005 0.000 0.904 507 L HN 0.350 8.580 8.230 -0.000 0.000 0.437 508 G N -0.530 108.253 108.800 -0.029 0.000 2.470 508 G HA2 -0.234 3.730 3.960 0.005 0.000 0.220 508 G HA3 -0.234 3.730 3.960 0.005 0.000 0.220 508 G C 1.107 175.819 174.900 -0.314 0.000 1.121 508 G CA 0.373 45.356 45.100 -0.195 0.000 0.766 508 G HN 0.342 8.632 8.290 -0.000 0.000 0.553 509 F N -0.346 119.575 119.950 -0.049 0.000 2.678 509 F HA 0.472 5.003 4.527 0.005 0.000 0.305 509 F C 0.992 176.781 175.800 -0.019 0.000 1.090 509 F CA -0.359 57.639 58.000 -0.003 0.000 1.272 509 F CB 0.278 39.278 39.000 0.001 0.000 1.060 509 F HN -0.085 8.215 8.300 -0.000 0.000 0.576 510 M N 1.239 120.805 119.600 -0.057 0.000 2.274 510 M HA 0.318 4.801 4.480 0.005 0.000 0.344 510 M C -2.479 173.734 176.300 -0.145 0.000 1.161 510 M CA -2.860 52.234 55.300 -0.342 0.000 1.126 510 M CB 0.320 32.324 32.600 -0.994 0.000 1.522 510 M HN -0.274 8.016 8.290 -0.000 0.000 0.461 511 P HA 0.033 4.453 4.420 -0.000 0.000 0.271 511 P C -0.215 177.205 177.300 0.201 0.000 1.216 511 P CA -0.153 62.917 63.100 -0.050 0.000 0.771 511 P CB 0.304 31.844 31.700 -0.267 0.000 0.864 512 N N 2.549 121.428 118.700 0.299 0.000 2.440 512 N HA -0.036 4.707 4.740 0.005 0.000 0.265 512 N C 1.265 176.855 175.510 0.135 0.000 1.239 512 N CA 0.188 53.298 53.050 0.100 0.000 0.909 512 N CB 0.804 39.223 38.487 -0.114 0.000 1.066 512 N HN 0.141 8.521 8.380 -0.000 0.000 0.474 513 V N 1.699 121.728 119.914 0.191 0.000 2.667 513 V HA -0.078 4.045 4.120 0.005 0.000 0.252 513 V C 2.182 178.306 176.094 0.051 0.000 1.065 513 V CA 1.591 63.992 62.300 0.170 0.000 1.083 513 V CB -0.449 31.472 31.823 0.164 0.000 0.692 513 V HN 0.598 8.787 8.190 -0.000 0.000 0.468 514 S N 0.862 116.558 115.700 -0.007 0.000 2.387 514 S HA 0.076 4.549 4.470 0.005 0.000 0.226 514 S C 2.060 176.580 174.600 -0.134 0.000 1.026 514 S CA 1.392 59.562 58.200 -0.050 0.000 0.972 514 S CB -0.362 62.809 63.200 -0.048 0.000 0.814 514 S HN 0.904 9.214 8.310 -0.000 0.000 0.477 515 A N -0.488 122.155 122.820 -0.295 0.000 2.072 515 A HA 0.274 4.597 4.320 0.005 0.000 0.216 515 A C -0.122 177.053 177.584 -0.681 0.000 1.156 515 A CA 0.469 52.149 52.037 -0.594 0.000 0.701 515 A CB -0.174 18.244 19.000 -0.971 0.000 0.816 515 A HN 0.605 8.755 8.150 -0.000 0.000 0.458 516 Y N -0.858 119.468 120.300 0.042 0.000 2.541 516 Y HA 0.395 4.948 4.550 0.006 0.000 0.350 516 Y C -2.981 172.961 175.900 0.069 0.000 1.075 516 Y CA -3.760 54.383 58.100 0.071 0.000 1.302 516 Y CB 0.178 38.698 38.460 0.100 0.000 1.094 516 Y HN 0.025 8.305 8.280 -0.000 0.000 0.579 517 P HA 0.167 4.587 4.420 -0.000 0.000 0.268 517 P C 0.797 178.147 177.300 0.084 0.000 1.208 517 P CA -0.072 63.080 63.100 0.087 0.000 0.777 517 P CB 1.088 32.820 31.700 0.053 0.000 0.875 518 R N 3.398 123.925 120.500 0.045 0.000 2.073 518 R HA -0.051 4.292 4.340 0.005 0.000 0.229 518 R C -0.513 175.796 176.300 0.015 0.000 1.120 518 R CA 1.746 57.859 56.100 0.023 0.000 0.967 518 R CB -1.803 28.490 30.300 -0.011 0.000 0.862 518 R HN 0.595 8.865 8.270 -0.000 0.000 0.436 519 P HA -0.064 4.356 4.420 -0.000 0.000 0.217 519 P C -0.327 176.982 177.300 0.014 0.000 1.154 519 P CA 1.123 64.227 63.100 0.007 0.000 0.841 519 P CB -0.152 31.550 31.700 0.004 0.000 0.788 520 N N 0.723 119.440 118.700 0.028 0.000 2.906 520 N HA 0.201 4.944 4.740 0.005 0.000 0.282 520 N C 1.228 176.765 175.510 0.045 0.000 1.293 520 N CA 0.127 53.198 53.050 0.035 0.000 1.059 520 N CB -0.457 38.057 38.487 0.045 0.000 1.388 520 N HN 0.165 8.545 8.380 -0.000 0.000 0.533 521 A N -0.534 122.302 122.820 0.026 0.000 2.014 521 A HA -0.044 4.279 4.320 0.005 0.000 0.218 521 A C 2.076 179.660 177.584 0.000 0.000 1.163 521 A CA 0.985 53.031 52.037 0.014 0.000 0.652 521 A CB -0.060 18.935 19.000 -0.007 0.000 0.808 521 A HN 0.336 8.486 8.150 -0.000 0.000 0.449 522 S N 0.348 116.049 115.700 0.001 0.000 2.562 522 S HA 0.029 4.502 4.470 0.005 0.000 0.221 522 S C 0.255 174.860 174.600 0.008 0.000 0.975 522 S CA 0.009 58.206 58.200 -0.005 0.000 0.918 522 S CB -0.081 63.115 63.200 -0.006 0.000 0.772 522 S HN 0.495 8.805 8.310 -0.000 0.000 0.531 523 E N 1.683 121.899 120.200 0.027 0.000 2.299 523 E HA 0.236 4.590 4.350 0.005 0.000 0.272 523 E C 1.162 177.794 176.600 0.054 0.000 1.043 523 E CA -0.066 56.359 56.400 0.041 0.000 0.895 523 E CB 0.699 30.432 29.700 0.055 0.000 1.011 523 E HN 0.222 8.582 8.360 -0.000 0.000 0.432 524 A N 5.208 128.054 122.820 0.045 0.000 1.954 524 A HA -0.344 3.979 4.320 0.005 0.000 0.222 524 A C 2.030 179.669 177.584 0.091 0.000 1.199 524 A CA 2.386 54.453 52.037 0.051 0.000 0.657 524 A CB -0.380 18.646 19.000 0.044 0.000 0.823 524 A HN 0.633 8.783 8.150 -0.000 0.000 0.463 525 K N -0.292 120.179 120.400 0.119 0.000 2.063 525 K HA -0.097 4.227 4.320 0.005 0.000 0.208 525 K C 1.374 178.156 176.600 0.303 0.000 1.048 525 K CA 1.502 57.904 56.287 0.191 0.000 0.928 525 K CB -0.213 32.389 32.500 0.170 0.000 0.713 525 K HN 0.418 8.668 8.250 -0.000 0.000 0.442 526 S N 1.177 117.037 115.700 0.268 0.000 2.881 526 S HA 0.006 4.480 4.470 0.005 0.000 0.228 526 S C -0.528 174.162 174.600 0.151 0.000 0.965 526 S CA 0.396 58.776 58.200 0.300 0.000 0.998 526 S CB -0.163 63.154 63.200 0.196 0.000 0.795 526 S HN 0.328 8.638 8.310 -0.000 0.000 0.518 527 Q N 0.343 120.233 119.800 0.149 0.000 2.340 527 Q HA 0.544 4.887 4.340 0.005 0.000 0.276 527 Q C -1.140 174.917 176.000 0.096 0.000 1.048 527 Q CA -0.254 55.542 55.803 -0.012 0.000 0.832 527 Q CB 2.288 30.988 28.738 -0.063 0.000 1.373 527 Q HN 0.245 8.515 8.270 -0.000 0.000 0.409 528 M N 2.756 122.365 119.600 0.016 0.000 2.085 528 M HA 0.537 5.020 4.480 0.005 0.000 0.309 528 M C -1.854 174.447 176.300 0.001 0.000 0.947 528 M CA -0.641 54.727 55.300 0.113 0.000 0.918 528 M CB 1.239 34.010 32.600 0.285 0.000 1.504 528 M HN 0.485 8.775 8.290 -0.000 0.000 0.420 529 V N 3.074 122.997 119.914 0.016 0.000 2.960 529 V HA 0.884 5.007 4.120 0.005 0.000 0.315 529 V C -0.343 175.764 176.094 0.022 0.000 1.087 529 V CA -0.404 61.887 62.300 -0.015 0.000 0.982 529 V CB 2.072 33.877 31.823 -0.031 0.000 1.039 529 V HN 1.006 9.197 8.190 -0.000 0.000 0.437 530 S N 2.042 117.750 115.700 0.014 0.000 2.755 530 S HA 0.755 5.229 4.470 0.005 0.000 0.286 530 S C -1.566 173.042 174.600 0.013 0.000 1.207 530 S CA -0.729 57.491 58.200 0.034 0.000 0.892 530 S CB 1.660 64.903 63.200 0.071 0.000 1.240 530 S HN 0.842 9.152 8.310 -0.000 0.000 0.525 531 L N 1.492 122.717 121.223 0.003 0.000 2.345 531 L HA 0.773 5.116 4.340 0.005 0.000 0.274 531 L C -0.159 176.616 176.870 -0.158 0.000 0.999 531 L CA 0.387 55.178 54.840 -0.081 0.000 0.849 531 L CB 1.309 43.317 42.059 -0.086 0.000 1.220 531 L HN 1.038 9.268 8.230 -0.000 0.000 0.422 532 T N 3.150 117.598 114.554 -0.176 0.000 2.844 532 T HA 0.656 5.009 4.350 0.005 0.000 0.274 532 T C -1.405 173.003 174.700 -0.486 0.000 0.991 532 T CA -0.212 61.798 62.100 -0.149 0.000 0.983 532 T CB 0.723 69.665 68.868 0.123 0.000 1.310 532 T HN 0.341 8.581 8.240 -0.000 0.000 0.596 533 Y N 0.550 120.874 120.300 0.039 0.000 2.425 533 Y HA 0.576 5.129 4.550 0.004 0.000 0.344 533 Y C -0.236 175.603 175.900 -0.103 0.000 0.969 533 Y CA -1.218 56.871 58.100 -0.019 0.000 1.052 533 Y CB 1.310 39.755 38.460 -0.025 0.000 1.215 533 Y HN 0.461 8.741 8.280 -0.000 0.000 0.451 534 L N 4.048 125.233 121.223 -0.063 0.000 2.499 534 L HA 0.101 4.444 4.340 0.005 0.000 0.273 534 L C 0.581 177.342 176.870 -0.182 0.000 1.195 534 L CA 0.557 55.273 54.840 -0.205 0.000 0.882 534 L CB 0.064 41.903 42.059 -0.366 0.000 1.133 534 L HN 0.887 9.117 8.230 -0.000 0.000 0.483 535 Q N 3.320 122.983 119.800 -0.228 0.000 2.406 535 Q HA -0.250 4.093 4.340 0.005 0.000 0.236 535 Q C 0.996 176.927 176.000 -0.115 0.000 0.799 535 Q CA 0.870 56.564 55.803 -0.182 0.000 1.286 535 Q CB -2.215 26.429 28.738 -0.156 0.000 1.615 535 Q HN 1.351 9.621 8.270 -0.000 0.000 0.621 536 G N 0.449 109.206 108.800 -0.072 0.000 2.137 536 G HA2 -0.292 3.671 3.960 0.005 0.000 0.237 536 G HA3 -0.292 3.671 3.960 0.005 0.000 0.237 536 G C -0.484 174.386 174.900 -0.051 0.000 1.002 536 G CA 0.138 45.216 45.100 -0.035 0.000 0.702 536 G HN 0.409 8.699 8.290 -0.000 0.000 0.515 537 D N 0.582 120.963 120.400 -0.031 0.000 2.359 537 D HA 0.491 5.134 4.640 0.005 0.000 0.230 537 D C 1.881 178.159 176.300 -0.037 0.000 1.118 537 D CA 0.381 54.351 54.000 -0.050 0.000 0.844 537 D CB 0.885 41.656 40.800 -0.047 0.000 1.059 537 D HN 0.225 8.595 8.370 -0.000 0.000 0.493 538 T N 0.198 114.614 114.554 -0.229 0.000 2.977 538 T HA -0.176 4.177 4.350 0.005 0.000 0.271 538 T C 1.491 176.177 174.700 -0.024 0.000 1.105 538 T CA 1.433 63.247 62.100 -0.476 0.000 1.116 538 T CB -0.213 68.397 68.868 -0.430 0.000 0.878 538 T HN 0.259 8.499 8.240 -0.000 0.000 0.509 539 S N 0.109 115.838 115.700 0.049 0.000 2.575 539 S HA 0.247 4.720 4.470 0.005 0.000 0.215 539 S C 0.708 175.421 174.600 0.189 0.000 0.966 539 S CA -0.579 57.689 58.200 0.113 0.000 0.911 539 S CB -0.230 63.011 63.200 0.068 0.000 0.780 539 S HN 0.592 8.902 8.310 -0.000 0.000 0.514 540 K N 3.076 123.599 120.400 0.205 0.000 2.877 540 K HA 0.338 4.661 4.320 0.005 0.000 0.176 540 K C -3.002 173.697 176.600 0.165 0.000 1.075 540 K CA -1.922 54.442 56.287 0.128 0.000 0.939 540 K CB 1.361 33.720 32.500 -0.234 0.000 1.237 540 K HN 0.311 8.561 8.250 -0.000 0.000 0.607 541 P HA 0.121 4.541 4.420 -0.000 0.000 0.271 541 P C -0.342 176.965 177.300 0.013 0.000 1.216 541 P CA -0.033 63.015 63.100 -0.088 0.000 0.771 541 P CB 0.711 32.384 31.700 -0.045 0.000 0.864 542 I N -0.696 119.823 120.570 -0.086 0.000 2.802 542 I HA 0.541 4.714 4.170 0.005 0.000 0.298 542 I C -0.212 175.934 176.117 0.049 0.000 1.176 542 I CA -1.057 60.291 61.300 0.081 0.000 1.025 542 I CB 2.490 40.600 38.000 0.184 0.000 1.243 542 I HN 0.211 8.421 8.210 -0.000 0.000 0.424 543 T N 2.443 117.051 114.554 0.090 0.000 2.909 543 T HA 0.613 4.966 4.350 0.005 0.000 0.286 543 T C -0.409 174.343 174.700 0.087 0.000 1.002 543 T CA -0.647 61.486 62.100 0.055 0.000 1.074 543 T CB 1.762 70.641 68.868 0.018 0.000 0.984 543 T HN 0.791 9.031 8.240 -0.000 0.000 0.495 544 M N 2.185 121.789 119.600 0.008 0.000 2.465 544 M HA 0.551 5.034 4.480 0.005 0.000 0.316 544 M C -1.270 174.895 176.300 -0.225 0.000 1.121 544 M CA -0.758 54.426 55.300 -0.193 0.000 0.934 544 M CB 1.905 34.451 32.600 -0.089 0.000 1.692 544 M HN 0.846 9.136 8.290 -0.000 0.000 0.444 545 K N 4.267 124.444 120.400 -0.372 0.000 2.613 545 K HA 0.529 4.853 4.320 0.005 0.000 0.248 545 K C -2.107 174.214 176.600 -0.466 0.000 0.959 545 K CA -0.598 55.498 56.287 -0.318 0.000 0.855 545 K CB 1.750 34.099 32.500 -0.252 0.000 1.143 545 K HN 0.604 8.854 8.250 -0.000 0.000 0.437 546 V N 3.071 122.698 119.914 -0.479 0.000 2.407 546 V HA 0.621 4.744 4.120 0.005 0.000 0.278 546 V C -0.007 175.511 176.094 -0.960 0.000 1.037 546 V CA -0.695 61.139 62.300 -0.776 0.000 0.900 546 V CB 1.070 32.487 31.823 -0.676 0.000 0.983 546 V HN 0.864 9.054 8.190 -0.000 0.000 0.459 547 A N 4.903 127.110 122.820 -1.022 0.000 2.355 547 A HA 0.942 5.265 4.320 0.005 0.000 0.324 547 A C -1.149 175.822 177.584 -1.022 0.000 1.117 547 A CA -0.453 51.062 52.037 -0.870 0.000 0.785 547 A CB 0.999 19.727 19.000 -0.454 0.000 1.254 547 A HN 0.624 8.774 8.150 -0.000 0.000 0.453 548 F N 1.665 121.424 119.950 -0.319 0.000 2.449 548 F HA 0.431 4.961 4.527 0.006 0.000 0.342 548 F C 0.718 176.440 175.800 -0.131 0.000 1.127 548 F CA -0.752 57.045 58.000 -0.340 0.000 0.975 548 F CB 1.221 39.831 39.000 -0.650 0.000 1.146 548 F HN 0.630 8.930 8.300 -0.000 0.000 0.444 549 N N 1.236 119.983 118.700 0.077 0.000 2.776 549 N HA -0.151 4.592 4.740 0.005 0.000 0.249 549 N C 0.868 176.405 175.510 0.045 0.000 1.111 549 N CA 0.845 53.957 53.050 0.103 0.000 0.711 549 N CB -1.154 37.440 38.487 0.179 0.000 1.065 549 N HN 1.000 9.380 8.380 -0.000 0.000 0.556 550 G N -0.814 107.985 108.800 -0.002 0.000 3.126 550 G HA2 0.349 4.312 3.960 0.005 0.000 0.224 550 G HA3 0.349 4.312 3.960 0.005 0.000 0.224 550 G C 0.666 175.551 174.900 -0.025 0.000 1.142 550 G CA 0.162 45.252 45.100 -0.016 0.000 0.759 550 G HN 0.321 8.611 8.290 -0.000 0.000 0.550 551 I N 1.836 122.394 120.570 -0.021 0.000 2.860 551 I HA 0.284 4.457 4.170 0.005 0.000 0.331 551 I C 0.549 176.641 176.117 -0.042 0.000 1.447 551 I CA -0.409 60.853 61.300 -0.063 0.000 0.847 551 I CB 0.329 38.255 38.000 -0.123 0.000 1.938 551 I HN 0.028 8.238 8.210 -0.000 0.000 0.564 552 T N -1.821 112.718 114.554 -0.024 0.000 2.880 552 T HA 0.630 4.984 4.350 0.005 0.000 0.279 552 T C 0.226 174.900 174.700 -0.043 0.000 0.990 552 T CA -0.554 61.534 62.100 -0.021 0.000 0.938 552 T CB 1.434 70.282 68.868 -0.034 0.000 1.206 552 T HN 0.132 8.372 8.240 -0.000 0.000 0.573 553 S N 1.648 117.318 115.700 -0.051 0.000 2.112 553 S HA 0.381 4.854 4.470 0.005 0.000 0.151 553 S C 0.688 175.249 174.600 -0.065 0.000 1.723 553 S CA -0.756 57.413 58.200 -0.051 0.000 1.263 553 S CB -0.048 63.129 63.200 -0.038 0.000 1.194 553 S HN 0.691 9.001 8.310 -0.000 0.000 0.419 554 L N 0.899 122.079 121.223 -0.071 0.000 3.940 554 L HA -0.402 3.942 4.340 0.005 0.000 0.393 554 L C 1.295 178.097 176.870 -0.114 0.000 3.801 554 L CA 2.382 57.177 54.840 -0.076 0.000 1.257 554 L CB -1.680 40.349 42.059 -0.049 0.000 3.043 554 L HN 0.588 8.818 8.230 -0.000 0.000 0.646 555 N N -0.792 117.838 118.700 -0.116 0.000 2.294 555 N HA 0.206 4.949 4.740 0.005 0.000 0.186 555 N C 1.067 176.417 175.510 -0.266 0.000 1.107 555 N CA 0.398 53.361 53.050 -0.145 0.000 0.884 555 N CB 0.592 39.046 38.487 -0.056 0.000 1.030 555 N HN 0.479 8.860 8.380 -0.000 0.000 0.482 556 G N -0.075 108.596 108.800 -0.214 0.000 2.588 556 G HA2 0.386 4.349 3.960 0.005 0.000 0.278 556 G HA3 0.386 4.349 3.960 0.005 0.000 0.278 556 G C -1.114 173.550 174.900 -0.394 0.000 1.307 556 G CA 0.001 44.996 45.100 -0.175 0.000 1.016 556 G HN 0.070 8.360 8.290 -0.000 0.000 0.503 557 Y N -1.363 119.029 120.300 0.155 0.000 2.588 557 Y HA 0.581 5.135 4.550 0.005 0.000 0.343 557 Y C 0.336 176.384 175.900 0.246 0.000 1.065 557 Y CA -0.598 57.585 58.100 0.138 0.000 1.038 557 Y CB 2.569 41.067 38.460 0.062 0.000 1.297 557 Y HN 0.858 9.138 8.280 -0.000 0.000 0.467 558 S N 1.135 117.030 115.700 0.325 0.000 2.596 558 S HA 0.867 5.340 4.470 0.005 0.000 0.270 558 S C -2.080 172.580 174.600 0.099 0.000 1.155 558 S CA -0.931 57.435 58.200 0.277 0.000 0.827 558 S CB 1.630 64.914 63.200 0.139 0.000 1.130 558 S HN 0.606 8.916 8.310 -0.000 0.000 0.467 559 L N 1.013 122.264 121.223 0.046 0.000 2.408 559 L HA 0.724 5.068 4.340 0.005 0.000 0.268 559 L C -0.928 175.669 176.870 -0.455 0.000 0.986 559 L CA -0.475 54.198 54.840 -0.278 0.000 0.820 559 L CB 2.648 44.602 42.059 -0.175 0.000 1.303 559 L HN 0.871 9.101 8.230 -0.000 0.000 0.411 560 T N 2.315 116.390 114.554 -0.797 0.000 2.928 560 T HA 0.579 4.933 4.350 0.005 0.000 0.296 560 T C -0.967 173.098 174.700 -1.059 0.000 1.000 560 T CA -0.362 61.284 62.100 -0.757 0.000 0.989 560 T CB 0.888 69.485 68.868 -0.451 0.000 1.005 560 T HN 0.107 8.347 8.240 -0.000 0.000 0.442 561 F N 3.437 123.051 119.950 -0.560 0.000 2.426 561 F HA 0.635 5.165 4.527 0.005 0.000 0.348 561 F C 0.224 175.529 175.800 -0.824 0.000 1.124 561 F CA -1.054 56.472 58.000 -0.791 0.000 1.008 561 F CB 1.365 39.882 39.000 -0.805 0.000 1.139 561 F HN 0.111 8.411 8.300 -0.000 0.000 0.452 562 M N 3.847 123.015 119.600 -0.720 0.000 2.253 562 M HA 0.285 4.769 4.480 0.005 0.000 0.314 562 M C -1.381 174.631 176.300 -0.480 0.000 1.019 562 M CA -0.603 54.429 55.300 -0.446 0.000 0.932 562 M CB 2.029 34.451 32.600 -0.296 0.000 1.606 562 M HN 0.609 8.899 8.290 -0.000 0.000 0.430 563 W N 2.109 123.433 121.300 0.040 0.000 2.417 563 W HA 0.565 5.228 4.660 0.005 0.000 0.315 563 W C -0.482 176.054 176.519 0.029 0.000 1.045 563 W CA -0.363 57.037 57.345 0.092 0.000 1.221 563 W CB 2.000 31.631 29.460 0.286 0.000 1.309 563 W HN 0.527 8.707 8.180 -0.000 0.000 0.453 564 S N 0.150 115.966 115.700 0.193 0.000 2.751 564 S HA 0.724 5.197 4.470 0.005 0.000 0.310 564 S C 0.516 175.195 174.600 0.133 0.000 1.128 564 S CA 0.046 58.313 58.200 0.111 0.000 0.931 564 S CB 1.825 65.048 63.200 0.037 0.000 1.177 564 S HN 0.814 9.124 8.310 -0.000 0.000 0.530 565 G N 0.130 108.981 108.800 0.086 0.000 2.147 565 G HA2 -0.201 3.763 3.960 0.005 0.000 0.244 565 G HA3 -0.201 3.763 3.960 0.005 0.000 0.244 565 G C 0.425 175.410 174.900 0.143 0.000 1.005 565 G CA 0.458 45.609 45.100 0.085 0.000 0.713 565 G HN 0.524 8.814 8.290 -0.000 0.000 0.515 566 L N 0.314 121.630 121.223 0.156 0.000 2.240 566 L HA 0.066 4.410 4.340 0.005 0.000 0.211 566 L C 2.806 179.743 176.870 0.111 0.000 1.106 566 L CA 1.230 56.220 54.840 0.249 0.000 0.793 566 L CB -0.512 41.635 42.059 0.145 0.000 0.927 566 L HN 0.357 8.587 8.230 -0.000 0.000 0.446 567 S N 1.605 117.309 115.700 0.007 0.000 2.428 567 S HA -0.193 4.280 4.470 0.005 0.000 0.240 567 S C 1.407 175.934 174.600 -0.122 0.000 1.036 567 S CA 1.782 59.955 58.200 -0.044 0.000 1.009 567 S CB -0.531 62.642 63.200 -0.046 0.000 0.803 567 S HN 0.665 8.975 8.310 -0.000 0.000 0.486 568 N N -0.285 118.237 118.700 -0.297 0.000 2.466 568 N HA 0.035 4.778 4.740 0.005 0.000 0.251 568 N C -1.161 173.862 175.510 -0.811 0.000 1.164 568 N CA -0.137 52.615 53.050 -0.498 0.000 0.888 568 N CB -0.192 37.980 38.487 -0.526 0.000 1.177 568 N HN 0.434 8.814 8.380 -0.000 0.000 0.498 569 Y N 0.446 120.765 120.300 0.031 0.000 2.712 569 Y HA 0.354 4.905 4.550 0.003 0.000 0.287 569 Y C 0.005 175.923 175.900 0.031 0.000 0.944 569 Y CA -1.192 56.930 58.100 0.038 0.000 1.122 569 Y CB 0.250 38.745 38.460 0.058 0.000 1.182 569 Y HN -0.035 8.245 8.280 -0.000 0.000 0.632 570 I N 1.915 122.535 120.570 0.083 0.000 2.710 570 I HA -0.094 4.079 4.170 0.005 0.000 0.286 570 I C 0.900 177.059 176.117 0.069 0.000 1.181 570 I CA 0.718 62.054 61.300 0.059 0.000 1.430 570 I CB 0.127 38.140 38.000 0.021 0.000 1.367 570 I HN 0.626 8.836 8.210 -0.000 0.000 0.577 571 N N 2.796 121.531 118.700 0.059 0.000 2.936 571 N HA -0.204 4.540 4.740 0.005 0.000 0.236 571 N C 0.195 175.740 175.510 0.059 0.000 0.930 571 N CA 0.894 53.974 53.050 0.050 0.000 0.966 571 N CB -0.598 37.911 38.487 0.036 0.000 1.090 571 N HN 0.706 9.086 8.380 -0.000 0.000 0.592 572 Q N 0.957 120.810 119.800 0.088 0.000 2.260 572 Q HA 0.387 4.730 4.340 0.005 0.000 0.238 572 Q C -2.204 173.841 176.000 0.075 0.000 0.948 572 Q CA -1.388 54.462 55.803 0.079 0.000 0.895 572 Q CB 1.022 29.825 28.738 0.108 0.000 1.218 572 Q HN 0.133 8.403 8.270 -0.000 0.000 0.470 573 P HA 0.027 4.447 4.420 -0.000 0.000 0.279 573 P C -1.217 176.121 177.300 0.065 0.000 1.239 573 P CA -0.168 62.958 63.100 0.043 0.000 0.789 573 P CB 0.481 32.181 31.700 -0.002 0.000 0.933 574 F N 4.037 123.945 119.950 -0.071 0.000 2.377 574 F HA 0.303 4.832 4.527 0.004 0.000 0.360 574 F C -0.257 175.447 175.800 -0.160 0.000 1.147 574 F CA -0.119 57.815 58.000 -0.110 0.000 1.170 574 F CB 0.038 38.983 39.000 -0.092 0.000 1.339 574 F HN 0.232 8.532 8.300 -0.000 0.000 0.552 575 S N 2.968 118.272 115.700 -0.659 0.000 2.672 575 S HA 0.559 5.032 4.470 0.005 0.000 0.291 575 S C -0.241 173.917 174.600 -0.737 0.000 1.145 575 S CA -0.613 57.204 58.200 -0.639 0.000 1.013 575 S CB 1.082 64.084 63.200 -0.329 0.000 1.017 575 S HN 0.691 9.001 8.310 -0.000 0.000 0.487 576 T N 0.801 114.840 114.554 -0.857 0.000 2.918 576 T HA 0.724 5.077 4.350 0.005 0.000 0.283 576 T C -2.417 172.061 174.700 -0.371 0.000 1.001 576 T CA -1.799 59.882 62.100 -0.698 0.000 1.041 576 T CB 0.907 69.205 68.868 -0.949 0.000 1.028 576 T HN 0.511 8.751 8.240 -0.000 0.000 0.511 577 P HA 0.293 4.713 4.420 -0.000 0.000 0.282 577 P C -0.558 176.710 177.300 -0.053 0.000 1.287 577 P CA -0.665 62.379 63.100 -0.094 0.000 0.792 577 P CB 0.622 32.315 31.700 -0.012 0.000 1.163 578 S N -0.286 115.412 115.700 -0.004 0.000 2.465 578 S HA 0.184 4.657 4.470 0.005 0.000 0.280 578 S C 0.064 174.726 174.600 0.103 0.000 1.232 578 S CA -0.207 58.017 58.200 0.039 0.000 1.066 578 S CB -1.010 62.216 63.200 0.042 0.000 0.929 578 S HN 0.324 8.634 8.310 -0.000 0.000 0.494 579 C N 4.357 123.754 119.300 0.162 0.000 2.303 579 C HA 0.594 5.057 4.460 0.005 0.000 0.326 579 C C 0.964 176.161 174.990 0.345 0.000 1.285 579 C CA -1.105 58.065 59.018 0.255 0.000 1.675 579 C CB 0.017 27.959 27.740 0.336 0.000 2.289 579 C HN 0.920 9.150 8.230 -0.000 0.000 0.512 580 S N 2.769 118.644 115.700 0.292 0.000 2.610 580 S HA 0.899 5.372 4.470 0.005 0.000 0.273 580 S C -0.710 174.138 174.600 0.414 0.000 1.274 580 S CA -0.382 57.975 58.200 0.263 0.000 1.023 580 S CB 1.003 64.285 63.200 0.137 0.000 0.962 580 S HN 0.951 9.261 8.310 -0.000 0.000 0.523 581 F N -1.962 118.103 119.950 0.192 0.000 2.858 581 F HA 0.809 5.339 4.527 0.005 0.000 0.319 581 F C -0.931 174.995 175.800 0.209 0.000 1.166 581 F CA -0.512 57.628 58.000 0.233 0.000 0.899 581 F CB 0.677 39.876 39.000 0.332 0.000 1.332 581 F HN 0.992 9.292 8.300 -0.000 0.000 0.461 582 S N -0.130 115.765 115.700 0.325 0.000 2.636 582 S HA 0.832 5.305 4.470 0.005 0.000 0.266 582 S C -1.878 172.816 174.600 0.156 0.000 1.147 582 S CA -0.473 57.742 58.200 0.025 0.000 0.815 582 S CB 2.091 65.226 63.200 -0.108 0.000 1.119 582 S HN 2.216 10.525 8.310 -0.000 0.000 0.470 583 Y N -1.795 118.456 120.300 -0.082 0.000 2.687 583 Y HA 0.666 5.219 4.550 0.005 0.000 0.338 583 Y C -1.585 174.257 175.900 -0.098 0.000 1.189 583 Y CA -1.652 56.257 58.100 -0.319 0.000 1.097 583 Y CB 0.177 38.006 38.460 -1.051 0.000 1.342 583 Y HN 0.765 9.045 8.280 -0.000 0.000 0.461 584 I N 3.425 124.154 120.570 0.265 0.000 2.517 584 I HA 0.205 4.378 4.170 0.005 0.000 0.285 584 I C 0.725 176.993 176.117 0.251 0.000 1.106 584 I CA -0.099 61.292 61.300 0.151 0.000 1.402 584 I CB 1.004 39.020 38.000 0.028 0.000 1.399 584 I HN 0.811 9.021 8.210 -0.000 0.000 0.535 585 T N 1.814 116.425 114.554 0.095 0.000 2.868 585 T HA 0.073 4.426 4.350 0.005 0.000 0.292 585 T C 0.674 175.391 174.700 0.029 0.000 1.028 585 T CA -0.560 61.602 62.100 0.103 0.000 1.059 585 T CB 1.711 70.561 68.868 -0.029 0.000 0.991 585 T HN 0.609 8.849 8.240 -0.000 0.000 0.531 586 Q N 0.783 120.575 119.800 -0.014 0.000 1.990 586 Q HA 0.058 4.402 4.340 0.005 0.000 0.200 586 Q C 0.883 176.865 176.000 -0.030 0.000 0.980 586 Q CA 1.661 57.444 55.803 -0.034 0.000 0.832 586 Q CB -0.033 28.622 28.738 -0.139 0.000 0.897 586 Q HN 0.888 9.158 8.270 -0.000 0.000 0.427 587 E N 0.000 120.169 120.200 -0.052 0.000 2.725 587 E HA 0.000 4.353 4.350 0.005 0.000 0.291 587 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 587 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 587 E HN 0.000 8.360 8.360 -0.000 0.000 0.440