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 1p8x_1_C DATA FIRST_RESID 414 DATA SEQUENCE DDGTGQKQIW RIEGSNKVPV DPATYGQFYG GDSYIILYNY RHXXXXGQII DATA SEQUENCE YNWQGAQSTQ DEVAASAILT AQLDEELGGT PVQSRVVQGK EPAHLMSLFG DATA SEQUENCE GKPMIIYKGG TSREGGQTAP ASTRLFQVRA NSAGATRAVE VLPKAGALNS DATA SEQUENCE NDAFVLKTPS AAYLWVGTGA SEAEKTGAQE LLRVLRAQPV QVAEGSEPDG DATA SEQUENCE FWEALGGKAA YRTSPRLKDK KMDAHPPRLF ACSNKIGRFV IEEVPGELMQ DATA SEQUENCE EDLATDDVML LDTWDQVFVW VGKDSQEEEK TEALTSAKRY IETDPANRDR DATA SEQUENCE RTPITVVKQG FEPPSFVGWF LGWDDDYW 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 414 D HA 0.000 4.640 4.640 0.000 0.000 0.175 414 D C 0.000 176.471 176.300 0.284 0.000 2.045 414 D CA 0.000 54.179 54.000 0.298 0.000 0.868 414 D CB 0.000 41.097 40.800 0.496 0.000 0.688 415 D N 2.173 122.707 120.400 0.222 0.000 2.340 415 D HA 0.212 4.851 4.640 -0.001 0.000 0.220 415 D C 1.584 177.927 176.300 0.072 0.000 1.039 415 D CA 0.648 54.727 54.000 0.132 0.000 0.866 415 D CB 0.068 40.920 40.800 0.086 0.000 0.913 415 D HN 0.891 9.261 8.370 0.000 0.000 0.523 416 G N 0.215 109.091 108.800 0.127 0.000 2.148 416 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.254 416 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.254 416 G C 1.003 175.868 174.900 -0.059 0.000 0.981 416 G CA 0.914 45.901 45.100 -0.187 0.000 0.670 416 G HN 0.675 8.965 8.290 0.000 0.000 0.528 417 T N -1.544 113.084 114.554 0.124 0.000 3.086 417 T HA 0.534 4.884 4.350 -0.001 0.000 0.250 417 T C 1.525 176.328 174.700 0.173 0.000 1.074 417 T CA 1.025 63.186 62.100 0.102 0.000 0.988 417 T CB 0.681 69.586 68.868 0.061 0.000 0.988 417 T HN 1.299 9.539 8.240 0.000 0.000 0.530 418 G N 0.753 109.749 108.800 0.326 0.000 2.683 418 G HA2 0.349 4.308 3.960 -0.001 0.000 0.260 418 G HA3 0.349 4.308 3.960 -0.001 0.000 0.260 418 G C -0.462 174.483 174.900 0.075 0.000 1.238 418 G CA -0.748 44.402 45.100 0.083 0.000 0.934 418 G HN 0.573 8.863 8.290 0.000 0.000 0.534 419 Q N -0.517 119.234 119.800 -0.082 0.000 2.332 419 Q HA 0.433 4.773 4.340 -0.001 0.000 0.263 419 Q C 0.073 176.067 176.000 -0.009 0.000 0.979 419 Q CA -0.026 55.764 55.803 -0.020 0.000 0.885 419 Q CB 0.417 29.133 28.738 -0.038 0.000 1.218 419 Q HN 0.590 8.860 8.270 0.000 0.000 0.405 420 K N 1.899 122.352 120.400 0.088 0.000 2.536 420 K HA 0.475 4.795 4.320 -0.001 0.000 0.269 420 K C -1.353 175.261 176.600 0.023 0.000 0.965 420 K CA -0.987 55.354 56.287 0.089 0.000 0.860 420 K CB 1.725 34.322 32.500 0.162 0.000 1.423 420 K HN 0.493 8.743 8.250 0.000 0.000 0.438 421 Q N 1.433 121.160 119.800 -0.122 0.000 2.375 421 Q HA 0.554 4.893 4.340 -0.001 0.000 0.271 421 Q C -1.090 174.553 176.000 -0.595 0.000 1.074 421 Q CA -0.828 54.743 55.803 -0.386 0.000 0.808 421 Q CB 2.695 31.026 28.738 -0.677 0.000 1.327 421 Q HN 0.513 8.783 8.270 0.000 0.000 0.441 422 I N 1.140 121.298 120.570 -0.688 0.000 2.498 422 I HA 0.513 4.682 4.170 -0.001 0.000 0.290 422 I C -0.864 175.092 176.117 -0.268 0.000 1.032 422 I CA -0.733 60.323 61.300 -0.406 0.000 1.073 422 I CB 1.501 39.180 38.000 -0.535 0.000 1.251 422 I HN 0.387 8.597 8.210 0.000 0.000 0.426 423 W N 4.398 125.812 121.300 0.189 0.000 2.864 423 W HA 0.546 5.206 4.660 -0.001 0.000 0.343 423 W C -0.327 176.288 176.519 0.159 0.000 1.109 423 W CA -0.782 56.663 57.345 0.165 0.000 1.192 423 W CB 2.284 31.813 29.460 0.116 0.000 1.426 423 W HN 0.317 8.497 8.180 0.000 0.000 0.529 424 R N 1.792 122.456 120.500 0.273 0.000 2.514 424 R HA 0.436 4.775 4.340 -0.001 0.000 0.301 424 R C -0.780 175.504 176.300 -0.026 0.000 0.962 424 R CA -0.874 55.162 56.100 -0.108 0.000 0.882 424 R CB 1.293 31.476 30.300 -0.195 0.000 1.143 424 R HN 0.359 8.629 8.270 0.000 0.000 0.452 425 I N 3.786 124.306 120.570 -0.083 0.000 2.517 425 I HA 0.027 4.196 4.170 -0.001 0.000 0.285 425 I C -0.085 176.008 176.117 -0.039 0.000 1.106 425 I CA 0.774 62.060 61.300 -0.023 0.000 1.402 425 I CB 0.825 38.824 38.000 -0.002 0.000 1.399 425 I HN 0.497 8.707 8.210 0.000 0.000 0.535 426 E N 5.385 125.576 120.200 -0.015 0.000 2.279 426 E HA 0.528 4.877 4.350 -0.001 0.000 0.252 426 E C 0.483 177.077 176.600 -0.010 0.000 0.894 426 E CA -0.294 56.096 56.400 -0.016 0.000 0.785 426 E CB 1.291 30.987 29.700 -0.007 0.000 1.237 426 E HN 0.813 9.173 8.360 0.000 0.000 0.418 427 G N 2.825 111.618 108.800 -0.012 0.000 2.550 427 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.277 427 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.277 427 G C 0.862 175.756 174.900 -0.009 0.000 1.190 427 G CA 0.370 45.464 45.100 -0.009 0.000 0.971 427 G HN 0.719 9.009 8.290 0.000 0.000 0.559 428 S N 0.582 116.276 115.700 -0.010 0.000 2.575 428 S HA 0.259 4.729 4.470 -0.001 0.000 0.215 428 S C 0.741 175.329 174.600 -0.020 0.000 0.966 428 S CA 0.782 58.974 58.200 -0.013 0.000 0.911 428 S CB 0.012 63.205 63.200 -0.013 0.000 0.780 428 S HN 0.660 8.970 8.310 0.000 0.000 0.514 429 N N 2.340 121.031 118.700 -0.016 0.000 2.483 429 N HA 0.336 5.075 4.740 -0.001 0.000 0.285 429 N C -0.920 174.578 175.510 -0.020 0.000 1.210 429 N CA -0.510 52.526 53.050 -0.023 0.000 0.931 429 N CB 1.455 39.938 38.487 -0.007 0.000 1.220 429 N HN 0.503 8.883 8.380 0.000 0.000 0.542 430 K N -0.601 119.771 120.400 -0.046 0.000 2.235 430 K HA 0.537 4.856 4.320 -0.001 0.000 0.266 430 K C -1.163 175.504 176.600 0.113 0.000 0.980 430 K CA -0.645 55.633 56.287 -0.015 0.000 0.849 430 K CB 1.155 33.530 32.500 -0.209 0.000 1.098 430 K HN 0.080 8.330 8.250 0.000 0.000 0.445 431 V N 3.867 123.921 119.914 0.233 0.000 2.495 431 V HA 0.325 4.444 4.120 -0.001 0.000 0.298 431 V C -2.320 174.005 176.094 0.386 0.000 1.031 431 V CA -2.577 59.888 62.300 0.275 0.000 0.871 431 V CB 1.484 33.392 31.823 0.143 0.000 0.988 431 V HN 0.788 8.978 8.190 0.000 0.000 0.432 432 P HA 0.047 4.467 4.420 0.000 0.000 0.264 432 P C -0.483 176.884 177.300 0.111 0.000 1.183 432 P CA 0.252 63.431 63.100 0.131 0.000 0.763 432 P CB 0.427 32.182 31.700 0.091 0.000 0.807 433 V N 3.502 123.479 119.914 0.105 0.000 2.509 433 V HA 0.091 4.210 4.120 -0.001 0.000 0.284 433 V C 0.591 176.748 176.094 0.106 0.000 1.047 433 V CA -0.376 62.023 62.300 0.166 0.000 0.952 433 V CB 1.146 33.111 31.823 0.236 0.000 0.988 433 V HN 0.534 8.724 8.190 0.000 0.000 0.469 434 D N 6.557 126.981 120.400 0.040 0.000 2.451 434 D HA 0.037 4.677 4.640 -0.001 0.000 0.254 434 D C -1.524 174.647 176.300 -0.215 0.000 1.204 434 D CA -1.395 52.567 54.000 -0.063 0.000 0.896 434 D CB 1.486 42.263 40.800 -0.038 0.000 1.136 434 D HN 0.224 8.595 8.370 0.000 0.000 0.499 435 P HA -0.171 4.249 4.420 0.000 0.000 0.218 435 P C 0.808 177.712 177.300 -0.660 0.000 1.146 435 P CA 1.690 64.189 63.100 -1.002 0.000 0.820 435 P CB 0.155 31.471 31.700 -0.641 0.000 0.778 436 A N -0.942 121.681 122.820 -0.329 0.000 2.119 436 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 436 A C 1.847 179.338 177.584 -0.156 0.000 1.153 436 A CA 1.798 53.714 52.037 -0.202 0.000 0.692 436 A CB -1.368 17.553 19.000 -0.132 0.000 0.799 436 A HN 0.331 8.481 8.150 0.000 0.000 0.458 437 T N -4.109 110.356 114.554 -0.148 0.000 3.176 437 T HA 0.270 4.620 4.350 -0.001 0.000 0.263 437 T C 0.165 174.794 174.700 -0.119 0.000 1.021 437 T CA -0.463 61.571 62.100 -0.111 0.000 0.905 437 T CB -0.753 68.075 68.868 -0.067 0.000 1.057 437 T HN 0.375 8.615 8.240 0.000 0.000 0.558 438 Y N 1.435 121.588 120.300 -0.245 0.000 2.721 438 Y HA 0.302 4.851 4.550 -0.001 0.000 0.329 438 Y C 1.815 177.424 175.900 -0.485 0.000 1.211 438 Y CA 0.448 58.370 58.100 -0.296 0.000 1.512 438 Y CB 0.345 38.774 38.460 -0.052 0.000 1.249 438 Y HN 0.525 8.805 8.280 0.000 0.000 0.549 439 G N 2.267 110.517 108.800 -0.918 0.000 2.316 439 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.203 439 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.203 439 G C -0.440 173.923 174.900 -0.895 0.000 0.999 439 G CA -0.471 43.839 45.100 -1.317 0.000 0.649 439 G HN 0.542 8.832 8.290 0.000 0.000 0.489 440 Q N 0.293 119.565 119.800 -0.880 0.000 2.293 440 Q HA 0.778 5.118 4.340 -0.001 0.000 0.261 440 Q C -1.252 174.158 176.000 -0.984 0.000 0.960 440 Q CA -0.546 54.813 55.803 -0.740 0.000 0.882 440 Q CB 1.869 30.321 28.738 -0.477 0.000 1.275 440 Q HN 0.300 8.570 8.270 0.000 0.000 0.445 441 F N 0.384 119.896 119.950 -0.729 0.000 2.599 441 F HA 0.393 4.919 4.527 -0.001 0.000 0.311 441 F C -0.930 174.686 175.800 -0.308 0.000 1.076 441 F CA -1.197 56.417 58.000 -0.642 0.000 0.937 441 F CB 1.335 39.620 39.000 -1.192 0.000 1.282 441 F HN 0.390 8.690 8.300 0.000 0.000 0.460 442 Y N 0.515 121.104 120.300 0.482 0.000 2.365 442 Y HA 0.378 4.928 4.550 -0.001 0.000 0.340 442 Y C 1.318 177.534 175.900 0.528 0.000 1.016 442 Y CA -0.142 58.250 58.100 0.486 0.000 1.196 442 Y CB 1.305 40.028 38.460 0.438 0.000 1.167 442 Y HN 0.826 9.106 8.280 0.000 0.000 0.509 443 G N 1.883 110.976 108.800 0.489 0.000 2.559 443 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.216 443 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.216 443 G C 1.571 176.650 174.900 0.298 0.000 1.126 443 G CA 0.725 46.064 45.100 0.398 0.000 0.778 443 G HN 0.899 9.189 8.290 0.000 0.000 0.543 444 G N -0.600 108.397 108.800 0.328 0.000 2.880 444 G HA2 0.183 4.143 3.960 -0.001 0.000 0.209 444 G HA3 0.183 4.143 3.960 -0.001 0.000 0.209 444 G C 0.113 175.141 174.900 0.214 0.000 1.157 444 G CA -0.036 45.190 45.100 0.211 0.000 0.779 444 G HN 0.278 8.568 8.290 0.000 0.000 0.539 445 D N -0.370 120.245 120.400 0.360 0.000 2.384 445 D HA 0.582 5.221 4.640 -0.001 0.000 0.250 445 D C -0.556 175.974 176.300 0.383 0.000 1.029 445 D CA -0.197 53.979 54.000 0.295 0.000 0.990 445 D CB 1.725 42.664 40.800 0.231 0.000 1.175 445 D HN -0.130 8.240 8.370 0.000 0.000 0.532 446 S N -0.297 115.524 115.700 0.202 0.000 2.501 446 S HA 0.602 5.071 4.470 -0.001 0.000 0.301 446 S C -1.137 173.614 174.600 0.251 0.000 1.096 446 S CA -0.540 57.837 58.200 0.295 0.000 1.063 446 S CB 0.685 63.973 63.200 0.146 0.000 1.042 446 S HN 0.243 8.553 8.310 0.000 0.000 0.494 447 Y N 0.767 121.336 120.300 0.448 0.000 2.605 447 Y HA 0.631 5.181 4.550 -0.001 0.000 0.343 447 Y C -0.205 175.927 175.900 0.386 0.000 1.036 447 Y CA -1.009 57.350 58.100 0.432 0.000 1.065 447 Y CB 1.137 39.907 38.460 0.518 0.000 1.288 447 Y HN 0.442 8.722 8.280 0.000 0.000 0.481 448 I N 3.171 124.073 120.570 0.553 0.000 2.436 448 I HA 0.450 4.619 4.170 -0.001 0.000 0.289 448 I C -1.100 175.349 176.117 0.554 0.000 1.010 448 I CA -0.509 61.081 61.300 0.483 0.000 1.098 448 I CB 1.588 39.809 38.000 0.368 0.000 1.266 448 I HN 0.377 8.587 8.210 0.000 0.000 0.434 449 I N 6.845 127.693 120.570 0.464 0.000 2.418 449 I HA 0.312 4.482 4.170 -0.001 0.000 0.287 449 I C -1.023 175.321 176.117 0.379 0.000 1.008 449 I CA -0.777 60.751 61.300 0.380 0.000 1.104 449 I CB 2.088 40.282 38.000 0.322 0.000 1.264 449 I HN 0.295 8.505 8.210 0.000 0.000 0.438 450 L N 8.554 129.993 121.223 0.361 0.000 2.280 450 L HA 0.464 4.804 4.340 -0.001 0.000 0.287 450 L C -1.410 175.586 176.870 0.211 0.000 1.023 450 L CA -0.282 54.743 54.840 0.309 0.000 0.819 450 L CB 0.787 43.108 42.059 0.437 0.000 1.212 450 L HN 0.443 8.673 8.230 0.000 0.000 0.420 451 Y N 4.389 124.696 120.300 0.012 0.000 2.446 451 Y HA 0.578 5.128 4.550 -0.001 0.000 0.345 451 Y C -0.881 174.928 175.900 -0.152 0.000 0.984 451 Y CA -0.908 57.151 58.100 -0.068 0.000 1.058 451 Y CB 1.486 39.908 38.460 -0.062 0.000 1.220 451 Y HN 0.737 9.017 8.280 0.000 0.000 0.455 452 N N 4.580 122.757 118.700 -0.873 0.000 2.408 452 N HA 0.312 5.051 4.740 -0.001 0.000 0.280 452 N C -1.455 173.562 175.510 -0.821 0.000 1.002 452 N CA -0.474 52.200 53.050 -0.627 0.000 0.907 452 N CB 0.997 39.306 38.487 -0.298 0.000 1.161 452 N HN 0.475 8.855 8.380 0.000 0.000 0.488 453 Y N 0.739 120.850 120.300 -0.315 0.000 2.356 453 Y HA 0.544 5.094 4.550 -0.001 0.000 0.341 453 Y C 0.747 176.605 175.900 -0.071 0.000 1.343 453 Y CA -0.583 57.439 58.100 -0.129 0.000 1.570 453 Y CB 0.901 39.358 38.460 -0.005 0.000 1.558 453 Y HN 0.123 8.403 8.280 0.000 0.000 0.557 454 R N 1.149 121.781 120.500 0.219 0.000 2.985 454 R HA 0.180 4.520 4.340 -0.001 0.000 0.259 454 R C -1.467 174.925 176.300 0.153 0.000 1.815 454 R CA -0.391 55.786 56.100 0.128 0.000 1.278 454 R CB 0.728 31.073 30.300 0.075 0.000 1.403 454 R HN 0.769 9.039 8.270 0.000 0.000 0.534 461 Q N -0.953 119.058 119.800 0.352 0.000 2.418 461 Q HA 0.661 5.001 4.340 -0.001 0.000 0.282 461 Q C -1.482 174.647 176.000 0.214 0.000 1.044 461 Q CA -0.684 55.223 55.803 0.173 0.000 0.813 461 Q CB 3.359 32.140 28.738 0.072 0.000 1.428 461 Q HN 0.689 8.959 8.270 0.000 0.000 0.402 462 I N 1.389 121.968 120.570 0.015 0.000 2.647 462 I HA 0.544 4.713 4.170 -0.001 0.000 0.295 462 I C -1.691 174.381 176.117 -0.075 0.000 1.078 462 I CA -1.021 60.257 61.300 -0.037 0.000 1.048 462 I CB 1.565 39.461 38.000 -0.173 0.000 1.239 462 I HN 0.631 8.841 8.210 0.000 0.000 0.421 463 I N 7.282 127.805 120.570 -0.078 0.000 2.355 463 I HA 0.293 4.462 4.170 -0.001 0.000 0.288 463 I C -1.371 174.740 176.117 -0.010 0.000 0.999 463 I CA -0.534 60.783 61.300 0.029 0.000 1.163 463 I CB 1.249 39.289 38.000 0.066 0.000 1.316 463 I HN 0.443 8.653 8.210 0.000 0.000 0.454 464 Y N 5.096 125.497 120.300 0.169 0.000 2.328 464 Y HA 0.325 4.874 4.550 -0.001 0.000 0.337 464 Y C 0.416 176.440 175.900 0.207 0.000 1.008 464 Y CA -0.664 57.537 58.100 0.168 0.000 1.129 464 Y CB 1.011 39.566 38.460 0.158 0.000 1.185 464 Y HN 0.450 8.730 8.280 0.000 0.000 0.476 465 N N 3.457 122.368 118.700 0.352 0.000 2.426 465 N HA 0.061 4.800 4.740 -0.001 0.000 0.257 465 N C -1.519 174.185 175.510 0.322 0.000 1.002 465 N CA -0.343 52.885 53.050 0.296 0.000 0.942 465 N CB 0.972 39.569 38.487 0.183 0.000 1.112 465 N HN 0.727 9.107 8.380 0.000 0.000 0.499 466 W N 3.244 124.637 121.300 0.155 0.000 2.417 466 W HA 0.239 4.898 4.660 -0.001 0.000 0.315 466 W C -0.393 176.191 176.519 0.108 0.000 1.045 466 W CA -0.651 56.733 57.345 0.064 0.000 1.221 466 W CB 0.833 30.258 29.460 -0.059 0.000 1.309 466 W HN 0.322 8.502 8.180 0.000 0.000 0.453 467 Q N 5.221 124.726 119.800 -0.493 0.000 2.372 467 Q HA 0.432 4.772 4.340 -0.001 0.000 0.259 467 Q C 0.518 176.024 176.000 -0.824 0.000 0.993 467 Q CA -0.529 55.032 55.803 -0.403 0.000 0.854 467 Q CB 1.058 29.659 28.738 -0.229 0.000 1.231 467 Q HN 0.733 9.003 8.270 0.000 0.000 0.462 468 G N 1.907 110.356 108.800 -0.586 0.000 2.559 468 G HA2 0.170 4.129 3.960 -0.001 0.000 0.235 468 G HA3 0.170 4.129 3.960 -0.001 0.000 0.235 468 G C 0.843 175.584 174.900 -0.266 0.000 1.266 468 G CA 0.261 45.079 45.100 -0.469 0.000 0.847 468 G HN 0.857 9.147 8.290 0.000 0.000 0.583 469 A N 0.937 123.644 122.820 -0.188 0.000 2.024 469 A HA -0.053 4.267 4.320 -0.001 0.000 0.220 469 A C 2.005 179.563 177.584 -0.044 0.000 1.164 469 A CA 1.703 53.674 52.037 -0.109 0.000 0.643 469 A CB -0.069 18.893 19.000 -0.064 0.000 0.806 469 A HN 0.573 8.723 8.150 0.000 0.000 0.451 470 Q N -0.599 119.199 119.800 -0.003 0.000 2.179 470 Q HA 0.271 4.611 4.340 -0.001 0.000 0.213 470 Q C 0.428 176.441 176.000 0.021 0.000 0.833 470 Q CA 0.086 55.896 55.803 0.011 0.000 0.990 470 Q CB 0.583 29.340 28.738 0.032 0.000 1.132 470 Q HN 0.387 8.657 8.270 0.000 0.000 0.493 471 S N 1.207 116.917 115.700 0.017 0.000 2.560 471 S HA 0.157 4.627 4.470 -0.001 0.000 0.284 471 S C 0.470 175.074 174.600 0.007 0.000 1.327 471 S CA -0.245 57.974 58.200 0.032 0.000 1.055 471 S CB 0.377 63.596 63.200 0.031 0.000 0.868 471 S HN 0.461 8.771 8.310 0.000 0.000 0.506 472 T N 2.550 117.110 114.554 0.010 0.000 2.828 472 T HA 0.223 4.573 4.350 -0.001 0.000 0.290 472 T C 1.049 175.747 174.700 -0.003 0.000 1.019 472 T CA -0.324 61.776 62.100 -0.001 0.000 1.031 472 T CB 0.697 69.564 68.868 -0.001 0.000 1.001 472 T HN 0.616 8.856 8.240 0.000 0.000 0.531 473 Q N 0.508 120.304 119.800 -0.006 0.000 2.226 473 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 473 Q C 1.679 177.678 176.000 -0.002 0.000 0.975 473 Q CA 2.326 58.126 55.803 -0.005 0.000 0.866 473 Q CB -0.671 28.063 28.738 -0.006 0.000 0.915 473 Q HN 0.977 9.247 8.270 0.000 0.000 0.440 474 D N -1.231 119.168 120.400 -0.002 0.000 2.234 474 D HA -0.136 4.503 4.640 -0.001 0.000 0.205 474 D C 1.284 177.585 176.300 0.002 0.000 0.962 474 D CA 1.068 55.068 54.000 -0.001 0.000 0.855 474 D CB -0.192 40.606 40.800 -0.003 0.000 0.951 474 D HN 0.384 8.754 8.370 0.000 0.000 0.500 475 E N 0.069 120.272 120.200 0.005 0.000 2.158 475 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 475 E C 2.158 178.769 176.600 0.018 0.000 0.982 475 E CA 0.476 56.883 56.400 0.011 0.000 0.823 475 E CB 0.205 29.916 29.700 0.018 0.000 0.766 475 E HN 0.157 8.517 8.360 0.000 0.000 0.468 476 V N 1.335 121.257 119.914 0.013 0.000 2.358 476 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 476 V C 2.291 178.392 176.094 0.013 0.000 1.047 476 V CA 1.858 64.166 62.300 0.014 0.000 1.035 476 V CB -0.572 31.253 31.823 0.003 0.000 0.658 476 V HN 0.306 8.496 8.190 0.000 0.000 0.452 477 A N -0.043 122.782 122.820 0.007 0.000 1.898 477 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 477 A C 2.425 180.011 177.584 0.004 0.000 1.181 477 A CA 1.928 53.968 52.037 0.005 0.000 0.620 477 A CB -0.741 18.260 19.000 0.002 0.000 0.819 477 A HN 0.548 8.698 8.150 0.000 0.000 0.442 478 A N 0.373 123.196 122.820 0.004 0.000 1.902 478 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 478 A C 2.540 180.126 177.584 0.002 0.000 1.181 478 A CA 2.432 54.469 52.037 -0.000 0.000 0.623 478 A CB -1.031 17.968 19.000 -0.002 0.000 0.818 478 A HN 1.046 9.196 8.150 0.000 0.000 0.443 479 S N 0.182 115.892 115.700 0.017 0.000 2.399 479 S HA 0.025 4.495 4.470 -0.001 0.000 0.231 479 S C 2.063 176.676 174.600 0.023 0.000 1.022 479 S CA 1.388 59.606 58.200 0.030 0.000 0.983 479 S CB -0.619 62.620 63.200 0.065 0.000 0.803 479 S HN 0.917 9.227 8.310 0.000 0.000 0.480 480 A N 1.757 124.588 122.820 0.019 0.000 1.902 480 A HA 0.105 4.425 4.320 -0.001 0.000 0.217 480 A C 2.227 179.812 177.584 0.002 0.000 1.181 480 A CA 1.436 53.481 52.037 0.014 0.000 0.623 480 A CB -0.773 18.234 19.000 0.012 0.000 0.818 480 A HN 0.596 8.746 8.150 0.000 0.000 0.443 481 I N -0.598 119.969 120.570 -0.005 0.000 2.202 481 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 481 I C 2.330 178.430 176.117 -0.028 0.000 1.091 481 I CA 1.012 62.303 61.300 -0.015 0.000 1.368 481 I CB -0.226 37.764 38.000 -0.016 0.000 1.058 481 I HN 0.273 8.483 8.210 0.000 0.000 0.410 482 L N -0.126 121.077 121.223 -0.035 0.000 2.131 482 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 482 L C 2.505 179.331 176.870 -0.072 0.000 1.092 482 L CA 1.435 56.234 54.840 -0.068 0.000 0.759 482 L CB -0.739 41.276 42.059 -0.074 0.000 0.903 482 L HN 0.256 8.486 8.230 0.000 0.000 0.435 483 T N -0.523 114.014 114.554 -0.030 0.000 2.812 483 T HA -0.072 4.278 4.350 -0.001 0.000 0.264 483 T C 2.036 176.724 174.700 -0.020 0.000 1.042 483 T CA 1.071 63.162 62.100 -0.014 0.000 1.140 483 T CB -0.171 68.713 68.868 0.026 0.000 0.870 483 T HN 0.418 8.658 8.240 0.000 0.000 0.445 484 A N 1.509 124.319 122.820 -0.016 0.000 1.940 484 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 484 A C 2.272 179.839 177.584 -0.027 0.000 1.176 484 A CA 1.597 53.624 52.037 -0.015 0.000 0.631 484 A CB -0.628 18.365 19.000 -0.012 0.000 0.814 484 A HN 0.540 8.690 8.150 0.000 0.000 0.446 485 Q N -1.309 118.465 119.800 -0.043 0.000 2.079 485 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 485 Q C 2.100 178.062 176.000 -0.063 0.000 0.974 485 Q CA 1.321 57.093 55.803 -0.053 0.000 0.840 485 Q CB -0.293 28.403 28.738 -0.069 0.000 0.898 485 Q HN 0.570 8.840 8.270 0.000 0.000 0.430 486 L N 1.629 122.799 121.223 -0.087 0.000 2.046 486 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 486 L C 1.995 178.842 176.870 -0.038 0.000 1.077 486 L CA 1.924 56.708 54.840 -0.093 0.000 0.747 486 L CB -0.623 41.356 42.059 -0.133 0.000 0.896 486 L HN 0.273 8.503 8.230 0.000 0.000 0.432 487 D N -0.763 119.623 120.400 -0.023 0.000 2.117 487 D HA -0.245 4.394 4.640 -0.001 0.000 0.197 487 D C 1.777 178.073 176.300 -0.006 0.000 0.987 487 D CA 1.556 55.553 54.000 -0.006 0.000 0.829 487 D CB 0.144 40.943 40.800 -0.001 0.000 0.961 487 D HN 0.597 8.967 8.370 0.000 0.000 0.460 488 E N 0.272 120.464 120.200 -0.013 0.000 2.072 488 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 488 E C 2.120 178.715 176.600 -0.008 0.000 0.985 488 E CA 0.587 56.981 56.400 -0.010 0.000 0.801 488 E CB -0.091 29.602 29.700 -0.013 0.000 0.750 488 E HN 0.427 8.787 8.360 0.000 0.000 0.452 489 E N 0.546 120.738 120.200 -0.015 0.000 2.118 489 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 489 E C 1.197 177.798 176.600 0.002 0.000 0.992 489 E CA 0.790 57.184 56.400 -0.010 0.000 0.804 489 E CB 0.165 29.852 29.700 -0.023 0.000 0.741 489 E HN 0.086 8.446 8.360 0.000 0.000 0.458 490 L N 0.058 121.284 121.223 0.006 0.000 2.629 490 L HA 0.250 4.590 4.340 -0.001 0.000 0.230 490 L C 1.274 178.152 176.870 0.014 0.000 1.151 490 L CA 1.073 55.923 54.840 0.017 0.000 0.924 490 L CB 0.161 42.236 42.059 0.027 0.000 1.137 490 L HN 0.323 8.553 8.230 0.000 0.000 0.457 491 G N -0.788 108.017 108.800 0.008 0.000 2.147 491 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.244 491 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.244 491 G C 1.145 176.047 174.900 0.004 0.000 1.005 491 G CA 0.243 45.347 45.100 0.006 0.000 0.713 491 G HN 0.837 9.127 8.290 0.000 0.000 0.515 492 G N -1.540 107.262 108.800 0.004 0.000 2.175 492 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.265 492 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.265 492 G C 1.553 176.454 174.900 0.003 0.000 0.979 492 G CA 2.105 47.206 45.100 0.003 0.000 0.663 492 G HN 2.226 10.516 8.290 0.000 0.000 0.533 493 T N -1.924 112.634 114.554 0.007 0.000 3.035 493 T HA 0.276 4.625 4.350 -0.001 0.000 0.259 493 T C -0.302 174.406 174.700 0.013 0.000 1.078 493 T CA 0.700 62.804 62.100 0.006 0.000 1.132 493 T CB -0.292 68.581 68.868 0.008 0.000 0.900 493 T HN 0.506 8.746 8.240 0.000 0.000 0.480 494 P HA 0.388 4.808 4.420 0.000 0.000 0.272 494 P C -0.298 177.018 177.300 0.027 0.000 1.230 494 P CA -0.374 62.751 63.100 0.042 0.000 0.788 494 P CB 1.020 32.749 31.700 0.048 0.000 0.949 495 V N 2.077 122.016 119.914 0.042 0.000 2.607 495 V HA 0.132 4.251 4.120 -0.001 0.000 0.289 495 V C 0.621 176.705 176.094 -0.017 0.000 1.053 495 V CA -0.050 62.255 62.300 0.009 0.000 0.996 495 V CB 0.670 32.504 31.823 0.019 0.000 0.995 495 V HN 0.526 8.716 8.190 0.000 0.000 0.476 496 Q N 2.050 121.839 119.800 -0.019 0.000 2.337 496 Q HA 0.622 4.961 4.340 -0.001 0.000 0.266 496 Q C -0.806 175.185 176.000 -0.014 0.000 1.023 496 Q CA -0.338 55.454 55.803 -0.018 0.000 0.829 496 Q CB 2.164 30.908 28.738 0.010 0.000 1.306 496 Q HN 0.674 8.944 8.270 0.000 0.000 0.449 497 S N 1.901 117.598 115.700 -0.004 0.000 2.776 497 S HA 0.394 4.864 4.470 -0.001 0.000 0.284 497 S C -1.380 173.328 174.600 0.181 0.000 1.160 497 S CA -0.722 57.528 58.200 0.083 0.000 1.051 497 S CB 0.723 63.981 63.200 0.097 0.000 1.037 497 S HN 0.608 8.918 8.310 0.000 0.000 0.485 498 R N 4.000 124.578 120.500 0.130 0.000 2.221 498 R HA 0.681 5.021 4.340 -0.001 0.000 0.327 498 R C -1.289 175.073 176.300 0.104 0.000 1.033 498 R CA -0.224 55.947 56.100 0.119 0.000 0.887 498 R CB 0.712 31.052 30.300 0.067 0.000 1.057 498 R HN 0.456 8.726 8.270 0.000 0.000 0.455 499 V N 5.919 125.893 119.914 0.100 0.000 2.680 499 V HA 0.422 4.542 4.120 -0.001 0.000 0.309 499 V C -0.330 175.661 176.094 -0.171 0.000 1.052 499 V CA -0.823 61.490 62.300 0.020 0.000 0.908 499 V CB 1.876 33.761 31.823 0.105 0.000 1.001 499 V HN 0.670 8.860 8.190 0.000 0.000 0.431 500 V N 1.429 121.213 119.914 -0.217 0.000 2.732 500 V HA 0.581 4.700 4.120 -0.001 0.000 0.310 500 V C 0.031 175.846 176.094 -0.464 0.000 1.053 500 V CA -0.881 61.197 62.300 -0.369 0.000 0.957 500 V CB 1.499 33.192 31.823 -0.217 0.000 1.018 500 V HN 0.960 9.150 8.190 0.000 0.000 0.452 501 Q N 1.500 120.880 119.800 -0.700 0.000 2.304 501 Q HA 0.285 4.624 4.340 -0.001 0.000 0.315 501 Q C 1.308 177.219 176.000 -0.147 0.000 1.075 501 Q CA 1.639 57.171 55.803 -0.451 0.000 0.988 501 Q CB 0.110 28.611 28.738 -0.396 0.000 1.146 501 Q HN 1.866 10.136 8.270 0.000 0.000 0.383 502 G N 3.683 112.474 108.800 -0.016 0.000 2.268 502 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.240 502 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.240 502 G C 0.316 175.199 174.900 -0.028 0.000 1.010 502 G CA 0.318 45.407 45.100 -0.018 0.000 0.618 502 G HN 0.596 8.886 8.290 0.000 0.000 0.516 503 K N 1.321 121.695 120.400 -0.042 0.000 2.576 503 K HA 0.348 4.668 4.320 -0.001 0.000 0.209 503 K C 0.219 176.813 176.600 -0.011 0.000 1.049 503 K CA -0.117 56.150 56.287 -0.034 0.000 1.140 503 K CB 0.624 33.096 32.500 -0.046 0.000 0.871 503 K HN 0.530 8.780 8.250 0.000 0.000 0.479 504 E N 2.066 122.269 120.200 0.005 0.000 2.376 504 E HA 0.097 4.446 4.350 -0.001 0.000 0.266 504 E C -2.251 174.337 176.600 -0.020 0.000 1.009 504 E CA -1.447 54.951 56.400 -0.004 0.000 0.902 504 E CB -0.009 29.685 29.700 -0.011 0.000 0.972 504 E HN 0.026 8.386 8.360 0.000 0.000 0.439 505 P HA 0.054 4.474 4.420 0.000 0.000 0.274 505 P C 0.089 177.384 177.300 -0.009 0.000 1.256 505 P CA -0.258 62.856 63.100 0.024 0.000 0.795 505 P CB 0.736 32.498 31.700 0.104 0.000 1.038 506 A N 0.359 123.187 122.820 0.013 0.000 1.933 506 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 506 A C 2.131 179.693 177.584 -0.037 0.000 1.175 506 A CA 2.134 54.164 52.037 -0.012 0.000 0.628 506 A CB -1.806 17.199 19.000 0.010 0.000 0.814 506 A HN 0.745 8.895 8.150 0.000 0.000 0.444 507 H N -0.622 118.420 119.070 -0.047 0.000 2.352 507 H HA -0.115 4.441 4.556 -0.001 0.000 0.299 507 H C 1.758 176.955 175.328 -0.218 0.000 1.097 507 H CA 1.830 57.834 56.048 -0.073 0.000 1.311 507 H CB -0.202 29.591 29.762 0.051 0.000 1.377 507 H HN 0.325 8.605 8.280 0.000 0.000 0.504 508 L N -0.300 120.713 121.223 -0.350 0.000 2.046 508 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 508 L C 1.836 178.386 176.870 -0.534 0.000 1.077 508 L CA 1.677 56.127 54.840 -0.649 0.000 0.747 508 L CB -0.673 40.933 42.059 -0.756 0.000 0.896 508 L HN 0.348 8.578 8.230 0.000 0.000 0.432 509 M N -0.516 118.903 119.600 -0.302 0.000 2.279 509 M HA -0.086 4.394 4.480 -0.001 0.000 0.264 509 M C 2.366 178.523 176.300 -0.238 0.000 1.062 509 M CA 1.520 56.723 55.300 -0.161 0.000 1.099 509 M CB -1.682 30.869 32.600 -0.082 0.000 1.394 509 M HN 0.635 8.925 8.290 0.000 0.000 0.426 510 S N 0.000 115.487 115.700 -0.356 0.000 2.515 510 S HA -0.037 4.433 4.470 -0.001 0.000 0.231 510 S C 1.742 176.039 174.600 -0.505 0.000 0.987 510 S CA 0.294 58.289 58.200 -0.342 0.000 0.936 510 S CB -0.435 62.589 63.200 -0.294 0.000 0.766 510 S HN 0.296 8.606 8.310 0.000 0.000 0.528 511 L N 0.585 121.301 121.223 -0.845 0.000 2.353 511 L HA 0.245 4.584 4.340 -0.001 0.000 0.220 511 L C 0.766 177.057 176.870 -0.965 0.000 1.133 511 L CA 1.206 55.414 54.840 -1.052 0.000 0.798 511 L CB -0.862 40.370 42.059 -1.379 0.000 0.922 511 L HN 0.431 8.661 8.230 0.000 0.000 0.445 512 F N -0.791 119.063 119.950 -0.160 0.000 2.916 512 F HA 0.396 4.923 4.527 -0.001 0.000 0.294 512 F C 1.624 177.379 175.800 -0.076 0.000 1.189 512 F CA -0.172 57.769 58.000 -0.099 0.000 1.369 512 F CB -0.591 38.347 39.000 -0.104 0.000 0.961 512 F HN 0.039 8.339 8.300 0.000 0.000 0.508 513 G N 0.862 109.650 108.800 -0.021 0.000 2.390 513 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.299 513 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.299 513 G C 1.252 176.153 174.900 0.001 0.000 1.002 513 G CA 0.530 45.625 45.100 -0.009 0.000 0.979 513 G HN 1.196 9.486 8.290 0.000 0.000 0.513 514 G N -1.688 107.109 108.800 -0.004 0.000 2.253 514 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.251 514 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.251 514 G C 0.606 175.509 174.900 0.004 0.000 0.998 514 G CA 1.081 46.177 45.100 -0.006 0.000 0.621 514 G HN 1.044 9.334 8.290 0.000 0.000 0.524 515 K N 2.158 122.574 120.400 0.027 0.000 2.258 515 K HA 0.509 4.829 4.320 -0.001 0.000 0.264 515 K C -1.649 174.949 176.600 -0.004 0.000 1.007 515 K CA -1.223 55.065 56.287 0.002 0.000 0.941 515 K CB 0.613 33.109 32.500 -0.006 0.000 0.966 515 K HN 0.258 8.508 8.250 0.000 0.000 0.480 516 P HA 0.079 4.499 4.420 0.000 0.000 0.276 516 P C -0.821 176.389 177.300 -0.149 0.000 1.244 516 P CA -0.449 62.603 63.100 -0.079 0.000 0.801 516 P CB 0.723 32.366 31.700 -0.095 0.000 1.006 517 M N 2.401 121.909 119.600 -0.154 0.000 2.146 517 M HA 0.286 4.766 4.480 -0.001 0.000 0.352 517 M C -0.631 175.524 176.300 -0.243 0.000 1.343 517 M CA -0.300 54.840 55.300 -0.266 0.000 1.115 517 M CB -0.229 32.231 32.600 -0.233 0.000 1.657 517 M HN 0.208 8.498 8.290 0.000 0.000 0.471 518 I N 6.416 126.794 120.570 -0.321 0.000 2.336 518 I HA 0.329 4.499 4.170 -0.001 0.000 0.292 518 I C -0.589 175.278 176.117 -0.416 0.000 0.991 518 I CA -0.695 60.396 61.300 -0.349 0.000 1.227 518 I CB 1.288 39.002 38.000 -0.478 0.000 1.366 518 I HN 0.541 8.751 8.210 0.000 0.000 0.466 519 I N 7.259 127.680 120.570 -0.250 0.000 2.390 519 I HA 0.306 4.475 4.170 -0.001 0.000 0.283 519 I C -0.269 175.786 176.117 -0.103 0.000 1.016 519 I CA -0.651 60.551 61.300 -0.164 0.000 1.151 519 I CB 0.280 38.295 38.000 0.024 0.000 1.293 519 I HN 0.446 8.656 8.210 0.000 0.000 0.458 520 Y N 4.170 124.465 120.300 -0.009 0.000 2.300 520 Y HA 0.283 4.833 4.550 -0.001 0.000 0.328 520 Y C 1.123 177.053 175.900 0.051 0.000 1.270 520 Y CA -0.529 57.554 58.100 -0.030 0.000 1.352 520 Y CB 1.292 39.621 38.460 -0.217 0.000 1.286 520 Y HN 0.382 8.662 8.280 0.000 0.000 0.536 521 K N 0.946 121.472 120.400 0.210 0.000 2.168 521 K HA 0.396 4.715 4.320 -0.001 0.000 0.258 521 K C 0.527 177.293 176.600 0.277 0.000 1.010 521 K CA 0.553 56.935 56.287 0.158 0.000 0.929 521 K CB 0.619 33.147 32.500 0.046 0.000 0.998 521 K HN 0.937 9.187 8.250 0.000 0.000 0.479 522 G N 0.068 108.997 108.800 0.214 0.000 2.553 522 G HA2 0.043 4.002 3.960 -0.001 0.000 0.242 522 G HA3 0.043 4.002 3.960 -0.001 0.000 0.242 522 G C 0.169 175.224 174.900 0.258 0.000 1.277 522 G CA -0.364 44.853 45.100 0.195 0.000 0.910 522 G HN 1.123 9.413 8.290 0.000 0.000 0.576 523 G N -3.106 105.716 108.800 0.037 0.000 2.334 523 G HA2 0.638 4.597 3.960 -0.001 0.000 0.249 523 G HA3 0.638 4.597 3.960 -0.001 0.000 0.249 523 G C -0.162 174.583 174.900 -0.258 0.000 1.327 523 G CA 1.070 46.057 45.100 -0.189 0.000 0.979 523 G HN 2.237 10.527 8.290 0.000 0.000 0.471 524 T N -1.072 113.381 114.554 -0.168 0.000 2.905 524 T HA 0.911 5.260 4.350 -0.001 0.000 0.283 524 T C -0.187 174.476 174.700 -0.062 0.000 1.031 524 T CA 0.997 63.019 62.100 -0.129 0.000 1.002 524 T CB 1.298 70.088 68.868 -0.131 0.000 1.200 524 T HN 2.451 10.691 8.240 0.000 0.000 0.560 525 S N 0.047 115.716 115.700 -0.051 0.000 2.686 525 S HA 0.362 4.831 4.470 -0.001 0.000 0.273 525 S C 0.416 174.999 174.600 -0.027 0.000 1.060 525 S CA -0.937 57.245 58.200 -0.031 0.000 0.845 525 S CB 0.943 64.129 63.200 -0.024 0.000 1.086 525 S HN 0.788 9.098 8.310 0.000 0.000 0.461 526 R N 1.401 121.889 120.500 -0.020 0.000 2.064 526 R HA -0.031 4.309 4.340 -0.001 0.000 0.228 526 R C 0.993 177.283 176.300 -0.016 0.000 1.144 526 R CA 1.847 57.937 56.100 -0.016 0.000 0.932 526 R CB -0.509 29.784 30.300 -0.012 0.000 0.833 526 R HN 0.904 9.174 8.270 0.000 0.000 0.429 527 E N 0.205 120.396 120.200 -0.015 0.000 2.676 527 E HA 0.136 4.485 4.350 -0.001 0.000 0.318 527 E C 0.483 177.073 176.600 -0.017 0.000 1.514 527 E CA 0.252 56.644 56.400 -0.014 0.000 1.667 527 E CB 0.353 30.046 29.700 -0.012 0.000 1.336 527 E HN 0.477 8.837 8.360 0.000 0.000 0.492 528 G N 0.115 108.903 108.800 -0.020 0.000 3.847 528 G HA2 0.237 4.197 3.960 -0.001 0.000 0.189 528 G HA3 0.237 4.197 3.960 -0.001 0.000 0.189 528 G C 0.719 175.600 174.900 -0.032 0.000 0.907 528 G CA -0.041 45.045 45.100 -0.024 0.000 0.893 528 G HN 0.986 9.276 8.290 0.000 0.000 0.379 529 G N 0.069 108.847 108.800 -0.037 0.000 2.698 529 G HA2 0.134 4.094 3.960 -0.001 0.000 0.233 529 G HA3 0.134 4.094 3.960 -0.001 0.000 0.233 529 G C -0.105 174.752 174.900 -0.072 0.000 1.352 529 G CA 0.519 45.591 45.100 -0.047 0.000 0.879 529 G HN 1.334 9.624 8.290 0.000 0.000 0.567 530 Q N 0.865 120.611 119.800 -0.089 0.000 2.255 530 Q HA 0.477 4.817 4.340 -0.001 0.000 0.280 530 Q C 1.243 177.173 176.000 -0.117 0.000 1.068 530 Q CA 0.959 56.676 55.803 -0.143 0.000 0.911 530 Q CB -0.032 28.625 28.738 -0.136 0.000 1.157 530 Q HN 1.228 9.498 8.270 0.000 0.000 0.380 531 T N 1.390 115.863 114.554 -0.135 0.000 2.918 531 T HA 0.616 4.966 4.350 -0.001 0.000 0.302 531 T C 0.099 174.770 174.700 -0.050 0.000 1.045 531 T CA -0.397 61.662 62.100 -0.069 0.000 1.114 531 T CB 1.059 69.905 68.868 -0.037 0.000 0.965 531 T HN 0.675 8.915 8.240 0.000 0.000 0.540 532 A N 3.142 125.951 122.820 -0.020 0.000 2.304 532 A HA 0.680 5.000 4.320 -0.001 0.000 0.301 532 A C -2.074 175.517 177.584 0.011 0.000 1.132 532 A CA -1.695 50.338 52.037 -0.007 0.000 0.819 532 A CB -0.702 18.292 19.000 -0.010 0.000 1.094 532 A HN 0.797 8.947 8.150 0.000 0.000 0.492 533 P HA 0.399 4.819 4.420 0.000 0.000 0.271 533 P C -0.020 177.288 177.300 0.014 0.000 1.216 533 P CA 0.040 63.146 63.100 0.011 0.000 0.771 533 P CB 0.717 32.408 31.700 -0.015 0.000 0.864 534 A N 2.459 125.291 122.820 0.019 0.000 2.466 534 A HA 0.202 4.521 4.320 -0.001 0.000 0.238 534 A C 1.595 179.191 177.584 0.020 0.000 1.074 534 A CA 0.465 52.511 52.037 0.014 0.000 0.774 534 A CB -0.164 18.841 19.000 0.008 0.000 1.015 534 A HN 0.636 8.786 8.150 0.000 0.000 0.498 535 S N 0.422 116.131 115.700 0.014 0.000 2.428 535 S HA 0.017 4.486 4.470 -0.001 0.000 0.230 535 S C 0.693 175.309 174.600 0.026 0.000 1.014 535 S CA 1.291 59.501 58.200 0.017 0.000 0.957 535 S CB -0.208 62.998 63.200 0.010 0.000 0.784 535 S HN 0.685 8.995 8.310 0.000 0.000 0.499 536 T N 3.640 118.209 114.554 0.024 0.000 2.809 536 T HA 0.577 4.926 4.350 -0.001 0.000 0.284 536 T C -0.575 174.147 174.700 0.037 0.000 0.992 536 T CA -0.836 61.282 62.100 0.031 0.000 0.957 536 T CB 1.235 70.109 68.868 0.010 0.000 0.942 536 T HN 0.476 8.716 8.240 0.000 0.000 0.439 537 R N 2.470 123.020 120.500 0.083 0.000 2.744 537 R HA 0.819 5.159 4.340 -0.001 0.000 0.279 537 R C -1.746 174.643 176.300 0.148 0.000 0.977 537 R CA -1.129 55.026 56.100 0.091 0.000 0.906 537 R CB 1.656 32.052 30.300 0.160 0.000 1.197 537 R HN 0.387 8.657 8.270 0.000 0.000 0.463 538 L N 1.814 123.059 121.223 0.037 0.000 2.362 538 L HA 0.627 4.967 4.340 -0.001 0.000 0.271 538 L C -1.717 175.174 176.870 0.035 0.000 1.002 538 L CA -0.640 54.281 54.840 0.135 0.000 0.818 538 L CB 1.797 43.888 42.059 0.054 0.000 1.298 538 L HN 0.612 8.842 8.230 0.000 0.000 0.420 539 F N 2.595 122.618 119.950 0.121 0.000 2.529 539 F HA 0.478 5.005 4.527 -0.001 0.000 0.320 539 F C -0.103 175.609 175.800 -0.146 0.000 1.118 539 F CA -0.447 57.567 58.000 0.023 0.000 0.915 539 F CB 1.892 40.891 39.000 -0.001 0.000 1.161 539 F HN 0.434 8.734 8.300 0.000 0.000 0.445 540 Q N 2.911 122.602 119.800 -0.182 0.000 2.296 540 Q HA 0.589 4.928 4.340 -0.001 0.000 0.257 540 Q C -1.533 174.231 176.000 -0.394 0.000 0.942 540 Q CA -0.492 54.841 55.803 -0.783 0.000 0.939 540 Q CB 1.368 29.818 28.738 -0.480 0.000 1.198 540 Q HN 0.567 8.837 8.270 0.000 0.000 0.429 541 V N 5.713 125.377 119.914 -0.416 0.000 2.328 541 V HA 0.477 4.596 4.120 -0.001 0.000 0.278 541 V C -0.240 175.762 176.094 -0.152 0.000 1.021 541 V CA -0.561 61.630 62.300 -0.183 0.000 0.838 541 V CB 1.148 32.904 31.823 -0.113 0.000 0.999 541 V HN 0.716 8.906 8.190 0.000 0.000 0.447 542 R N 3.739 124.177 120.500 -0.104 0.000 2.621 542 R HA 0.828 5.167 4.340 -0.001 0.000 0.292 542 R C -0.715 175.561 176.300 -0.039 0.000 0.969 542 R CA -0.358 55.705 56.100 -0.063 0.000 0.887 542 R CB 1.956 32.225 30.300 -0.051 0.000 1.180 542 R HN 0.751 9.021 8.270 0.000 0.000 0.450 543 A N 3.079 125.885 122.820 -0.023 0.000 2.337 543 A HA 0.432 4.751 4.320 -0.001 0.000 0.331 543 A C -0.767 176.812 177.584 -0.008 0.000 1.137 543 A CA -0.949 51.076 52.037 -0.019 0.000 0.807 543 A CB 1.118 20.106 19.000 -0.019 0.000 1.250 543 A HN 0.936 9.086 8.150 0.000 0.000 0.468 544 N N 0.186 118.877 118.700 -0.016 0.000 2.495 544 N HA 0.239 4.979 4.740 -0.001 0.000 0.294 544 N C 0.773 176.272 175.510 -0.018 0.000 1.276 544 N CA 0.090 53.131 53.050 -0.016 0.000 0.973 544 N CB -0.170 38.301 38.487 -0.027 0.000 1.143 544 N HN 0.276 8.656 8.380 0.000 0.000 0.589 545 S N -0.980 114.703 115.700 -0.027 0.000 2.383 545 S HA -0.113 4.356 4.470 -0.001 0.000 0.229 545 S C 1.690 176.271 174.600 -0.032 0.000 1.030 545 S CA 1.320 59.500 58.200 -0.034 0.000 1.002 545 S CB -0.815 62.355 63.200 -0.051 0.000 0.829 545 S HN 0.764 9.074 8.310 0.000 0.000 0.467 546 A N 0.256 123.058 122.820 -0.030 0.000 2.209 546 A HA 0.435 4.754 4.320 -0.001 0.000 0.212 546 A C 1.758 179.327 177.584 -0.025 0.000 1.158 546 A CA 1.016 53.037 52.037 -0.027 0.000 0.742 546 A CB -0.840 18.145 19.000 -0.024 0.000 0.790 546 A HN 0.947 9.097 8.150 0.000 0.000 0.472 547 G N -2.220 106.566 108.800 -0.024 0.000 2.176 547 G HA2 0.081 4.040 3.960 -0.001 0.000 0.253 547 G HA3 0.081 4.040 3.960 -0.001 0.000 0.253 547 G C 0.409 175.294 174.900 -0.025 0.000 0.979 547 G CA 0.241 45.327 45.100 -0.023 0.000 0.641 547 G HN 1.616 9.906 8.290 0.000 0.000 0.530 548 A N 0.412 123.216 122.820 -0.027 0.000 2.450 548 A HA 0.653 4.972 4.320 -0.001 0.000 0.255 548 A C 0.628 178.195 177.584 -0.030 0.000 1.096 548 A CA 1.302 53.321 52.037 -0.030 0.000 0.778 548 A CB 0.367 19.347 19.000 -0.033 0.000 1.031 548 A HN 0.802 8.952 8.150 0.000 0.000 0.494 549 T N 3.044 117.578 114.554 -0.032 0.000 2.856 549 T HA 0.618 4.968 4.350 -0.001 0.000 0.283 549 T C -0.197 174.472 174.700 -0.052 0.000 1.008 549 T CA -0.501 61.575 62.100 -0.041 0.000 0.997 549 T CB 1.182 70.024 68.868 -0.044 0.000 0.992 549 T HN 0.694 8.934 8.240 0.000 0.000 0.454 550 R N 0.964 121.431 120.500 -0.055 0.000 2.621 550 R HA 0.743 5.083 4.340 -0.001 0.000 0.292 550 R C -1.044 175.219 176.300 -0.061 0.000 0.969 550 R CA -0.924 55.139 56.100 -0.062 0.000 0.887 550 R CB 2.026 32.300 30.300 -0.043 0.000 1.180 550 R HN 0.679 8.949 8.270 0.000 0.000 0.450 551 A N 2.807 125.593 122.820 -0.055 0.000 2.293 551 A HA 0.469 4.789 4.320 -0.001 0.000 0.312 551 A C -0.643 177.004 177.584 0.104 0.000 1.309 551 A CA -0.608 51.434 52.037 0.007 0.000 0.839 551 A CB 0.862 19.837 19.000 -0.041 0.000 1.155 551 A HN 0.414 8.564 8.150 0.000 0.000 0.501 552 V N 2.989 122.944 119.914 0.069 0.000 2.347 552 V HA 0.229 4.348 4.120 -0.001 0.000 0.280 552 V C 0.461 176.505 176.094 -0.084 0.000 1.021 552 V CA -0.580 61.732 62.300 0.020 0.000 0.847 552 V CB 1.314 33.131 31.823 -0.011 0.000 0.990 552 V HN 0.985 9.175 8.190 0.000 0.000 0.444 553 E N 4.050 124.069 120.200 -0.302 0.000 2.376 553 E HA 0.358 4.707 4.350 -0.001 0.000 0.266 553 E C -0.352 176.055 176.600 -0.321 0.000 1.009 553 E CA -0.210 55.729 56.400 -0.767 0.000 0.902 553 E CB 1.047 30.185 29.700 -0.936 0.000 0.972 553 E HN 0.644 9.004 8.360 0.000 0.000 0.439 554 V N 1.674 121.439 119.914 -0.248 0.000 3.164 554 V HA 0.469 4.588 4.120 -0.001 0.000 0.313 554 V C -0.467 175.581 176.094 -0.077 0.000 1.188 554 V CA -1.316 60.932 62.300 -0.086 0.000 1.058 554 V CB 1.090 32.928 31.823 0.024 0.000 1.110 554 V HN 0.577 8.767 8.190 0.000 0.000 0.453 555 L N 3.178 124.383 121.223 -0.030 0.000 2.462 555 L HA 0.407 4.747 4.340 -0.001 0.000 0.272 555 L C -1.968 174.881 176.870 -0.035 0.000 1.166 555 L CA -1.230 53.592 54.840 -0.030 0.000 0.880 555 L CB 0.536 42.589 42.059 -0.011 0.000 1.142 555 L HN 0.628 8.858 8.230 0.000 0.000 0.473 556 P HA 0.097 4.517 4.420 0.000 0.000 0.249 556 P C -1.054 176.194 177.300 -0.087 0.000 1.737 556 P CA -0.017 63.041 63.100 -0.069 0.000 1.128 556 P CB -0.018 31.649 31.700 -0.055 0.000 1.942 557 K N 0.716 121.060 120.400 -0.093 0.000 2.435 557 K HA 0.575 4.894 4.320 -0.001 0.000 0.251 557 K C 1.103 177.634 176.600 -0.115 0.000 0.954 557 K CA -0.763 55.476 56.287 -0.079 0.000 0.820 557 K CB 1.834 34.314 32.500 -0.033 0.000 1.292 557 K HN -0.086 8.164 8.250 0.000 0.000 0.436 558 A N 1.252 124.036 122.820 -0.060 0.000 1.940 558 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 558 A C 1.852 179.425 177.584 -0.017 0.000 1.176 558 A CA 2.168 54.204 52.037 -0.002 0.000 0.631 558 A CB -1.058 18.044 19.000 0.170 0.000 0.814 558 A HN 0.905 9.055 8.150 0.000 0.000 0.446 559 G N -0.955 107.856 108.800 0.018 0.000 2.535 559 G HA2 0.075 4.034 3.960 -0.001 0.000 0.218 559 G HA3 0.075 4.034 3.960 -0.001 0.000 0.218 559 G C 1.373 176.289 174.900 0.028 0.000 1.122 559 G CA 1.115 46.248 45.100 0.055 0.000 0.769 559 G HN 0.812 9.102 8.290 0.000 0.000 0.549 560 A N -0.203 122.587 122.820 -0.051 0.000 2.178 560 A HA 0.461 4.781 4.320 -0.001 0.000 0.211 560 A C 1.198 178.672 177.584 -0.183 0.000 1.157 560 A CA -0.259 51.760 52.037 -0.030 0.000 0.780 560 A CB -0.044 18.958 19.000 0.004 0.000 0.828 560 A HN 0.311 8.461 8.150 0.000 0.000 0.476 561 L N 0.824 121.731 121.223 -0.527 0.000 2.483 561 L HA 0.097 4.437 4.340 -0.001 0.000 0.275 561 L C 0.188 176.774 176.870 -0.473 0.000 1.220 561 L CA -0.083 54.035 54.840 -1.203 0.000 0.833 561 L CB 0.176 41.226 42.059 -1.681 0.000 1.102 561 L HN 0.337 8.567 8.230 0.000 0.000 0.490 562 N N -0.079 118.442 118.700 -0.299 0.000 2.454 562 N HA 0.144 4.883 4.740 -0.001 0.000 0.291 562 N C 0.053 175.876 175.510 0.522 0.000 1.079 562 N CA -0.323 52.911 53.050 0.306 0.000 0.893 562 N CB 1.942 40.688 38.487 0.431 0.000 1.512 562 N HN 0.465 8.845 8.380 0.000 0.000 0.497 563 S N 1.950 117.928 115.700 0.464 0.000 2.469 563 S HA -0.089 4.380 4.470 -0.001 0.000 0.238 563 S C 1.417 176.130 174.600 0.187 0.000 0.998 563 S CA 0.503 58.931 58.200 0.380 0.000 0.957 563 S CB -0.104 63.260 63.200 0.275 0.000 0.764 563 S HN 0.682 8.992 8.310 0.000 0.000 0.514 564 N N 0.758 119.523 118.700 0.108 0.000 2.446 564 N HA -0.038 4.701 4.740 -0.001 0.000 0.179 564 N C -0.522 175.037 175.510 0.081 0.000 1.054 564 N CA 0.650 53.708 53.050 0.013 0.000 0.905 564 N CB 0.268 38.628 38.487 -0.212 0.000 0.973 564 N HN 0.341 8.721 8.380 0.000 0.000 0.448 565 D N -0.543 119.984 120.400 0.212 0.000 2.553 565 D HA 0.445 5.085 4.640 -0.001 0.000 0.249 565 D C -0.750 175.732 176.300 0.302 0.000 1.062 565 D CA -0.516 53.583 54.000 0.165 0.000 1.085 565 D CB 1.707 42.513 40.800 0.010 0.000 1.350 565 D HN 0.058 8.428 8.370 0.000 0.000 0.575 566 A N -0.004 122.900 122.820 0.140 0.000 2.294 566 A HA 0.743 5.062 4.320 -0.001 0.000 0.330 566 A C -1.218 176.480 177.584 0.190 0.000 1.133 566 A CA -0.409 51.779 52.037 0.252 0.000 0.836 566 A CB 0.550 19.609 19.000 0.099 0.000 1.190 566 A HN 0.419 8.569 8.150 0.000 0.000 0.492 567 F N -0.026 120.114 119.950 0.317 0.000 2.588 567 F HA 0.542 5.069 4.527 -0.001 0.000 0.310 567 F C -0.271 175.671 175.800 0.236 0.000 1.082 567 F CA -0.631 57.516 58.000 0.244 0.000 0.929 567 F CB 2.635 41.733 39.000 0.165 0.000 1.254 567 F HN 0.321 8.621 8.300 0.000 0.000 0.455 568 V N 3.826 123.955 119.914 0.358 0.000 2.448 568 V HA 0.482 4.601 4.120 -0.001 0.000 0.295 568 V C -1.210 175.087 176.094 0.338 0.000 1.025 568 V CA -0.678 61.787 62.300 0.274 0.000 0.859 568 V CB 1.816 33.689 31.823 0.083 0.000 0.988 568 V HN 0.488 8.678 8.190 0.000 0.000 0.431 569 L N 5.726 127.134 121.223 0.308 0.000 2.343 569 L HA 0.617 4.956 4.340 -0.001 0.000 0.278 569 L C -0.501 176.502 176.870 0.221 0.000 0.996 569 L CA -0.158 54.830 54.840 0.247 0.000 0.831 569 L CB 1.253 43.413 42.059 0.168 0.000 1.232 569 L HN 0.646 8.876 8.230 0.000 0.000 0.413 570 K N 3.487 123.996 120.400 0.183 0.000 2.244 570 K HA 0.656 4.976 4.320 -0.001 0.000 0.260 570 K C -0.949 175.703 176.600 0.087 0.000 0.951 570 K CA -0.388 55.968 56.287 0.114 0.000 0.826 570 K CB 1.462 34.025 32.500 0.105 0.000 1.108 570 K HN 0.721 8.971 8.250 0.000 0.000 0.433 571 T N 3.950 118.534 114.554 0.051 0.000 2.942 571 T HA 0.303 4.653 4.350 -0.001 0.000 0.289 571 T C -2.053 172.655 174.700 0.014 0.000 1.044 571 T CA -1.903 60.219 62.100 0.038 0.000 1.023 571 T CB 1.728 70.627 68.868 0.051 0.000 1.123 571 T HN 0.401 8.641 8.240 0.000 0.000 0.512 572 P HA -0.082 4.338 4.420 0.000 0.000 0.219 572 P C 1.106 178.401 177.300 -0.008 0.000 1.146 572 P CA 0.944 64.046 63.100 0.003 0.000 0.808 572 P CB 0.224 31.927 31.700 0.005 0.000 0.779 573 S N -3.411 112.283 115.700 -0.011 0.000 2.549 573 S HA 0.542 5.012 4.470 -0.001 0.000 0.225 573 S C 0.717 175.283 174.600 -0.056 0.000 1.039 573 S CA 0.025 58.210 58.200 -0.024 0.000 0.942 573 S CB 0.206 63.400 63.200 -0.011 0.000 0.881 573 S HN 0.092 8.402 8.310 0.000 0.000 0.503 574 A N 0.604 123.378 122.820 -0.076 0.000 2.479 574 A HA 0.971 5.290 4.320 -0.001 0.000 0.296 574 A C -0.926 176.523 177.584 -0.224 0.000 1.121 574 A CA -0.536 51.384 52.037 -0.195 0.000 0.743 574 A CB 1.495 20.346 19.000 -0.248 0.000 1.323 574 A HN 1.222 9.372 8.150 0.000 0.000 0.415 575 A N 0.003 122.586 122.820 -0.395 0.000 2.517 575 A HA 0.739 5.058 4.320 -0.001 0.000 0.297 575 A C -1.797 175.580 177.584 -0.345 0.000 1.050 575 A CA -0.342 51.557 52.037 -0.230 0.000 0.694 575 A CB 0.789 19.727 19.000 -0.103 0.000 1.277 575 A HN 0.946 9.096 8.150 0.000 0.000 0.400 576 Y N 0.494 120.860 120.300 0.110 0.000 2.499 576 Y HA 0.664 5.214 4.550 -0.001 0.000 0.347 576 Y C -0.252 175.751 175.900 0.173 0.000 0.987 576 Y CA -0.826 57.370 58.100 0.158 0.000 1.044 576 Y CB 2.402 41.043 38.460 0.303 0.000 1.245 576 Y HN 0.643 8.923 8.280 0.000 0.000 0.461 577 L N 3.172 124.575 121.223 0.301 0.000 2.366 577 L HA 0.371 4.711 4.340 -0.001 0.000 0.266 577 L C -1.625 175.390 176.870 0.242 0.000 1.010 577 L CA -0.532 54.446 54.840 0.229 0.000 0.879 577 L CB 0.575 42.701 42.059 0.112 0.000 1.228 577 L HN 0.863 9.093 8.230 0.000 0.000 0.439 578 W N 6.120 127.474 121.300 0.090 0.000 2.338 578 W HA 0.497 5.157 4.660 -0.001 0.000 0.307 578 W C -1.017 175.517 176.519 0.025 0.000 1.167 578 W CA -0.450 56.866 57.345 -0.048 0.000 1.208 578 W CB 1.364 30.765 29.460 -0.099 0.000 1.228 578 W HN 0.137 8.317 8.180 0.000 0.000 0.499 579 V N 7.980 127.671 119.914 -0.370 0.000 2.311 579 V HA 0.409 4.529 4.120 -0.001 0.000 0.275 579 V C 0.938 176.596 176.094 -0.727 0.000 1.022 579 V CA -0.749 61.339 62.300 -0.353 0.000 0.830 579 V CB 0.316 31.997 31.823 -0.237 0.000 1.012 579 V HN 0.761 8.951 8.190 0.000 0.000 0.452 580 G N 3.142 111.608 108.800 -0.556 0.000 2.491 580 G HA2 0.243 4.203 3.960 -0.001 0.000 0.238 580 G HA3 0.243 4.203 3.960 -0.001 0.000 0.238 580 G C 1.047 175.789 174.900 -0.264 0.000 1.277 580 G CA 0.224 45.007 45.100 -0.528 0.000 0.851 580 G HN 0.684 8.974 8.290 0.000 0.000 0.573 581 T N 1.806 116.243 114.554 -0.196 0.000 2.737 581 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 581 T C 2.314 176.988 174.700 -0.044 0.000 1.040 581 T CA 1.695 63.734 62.100 -0.102 0.000 1.142 581 T CB -0.141 68.701 68.868 -0.044 0.000 0.861 581 T HN 0.645 8.885 8.240 0.000 0.000 0.456 582 G N 0.634 109.429 108.800 -0.009 0.000 2.985 582 G HA2 0.449 4.409 3.960 -0.001 0.000 0.209 582 G HA3 0.449 4.409 3.960 -0.001 0.000 0.209 582 G C 0.440 175.353 174.900 0.021 0.000 1.165 582 G CA 0.133 45.246 45.100 0.022 0.000 0.776 582 G HN 0.685 8.975 8.290 0.000 0.000 0.541 583 A N 0.949 123.769 122.820 0.000 0.000 2.477 583 A HA 0.547 4.867 4.320 -0.001 0.000 0.246 583 A C 1.031 178.614 177.584 -0.002 0.000 1.078 583 A CA 0.286 52.328 52.037 0.008 0.000 0.770 583 A CB 0.277 19.278 19.000 0.002 0.000 1.011 583 A HN 0.709 8.859 8.150 0.000 0.000 0.494 584 S N 1.471 117.173 115.700 0.005 0.000 2.681 584 S HA 0.316 4.785 4.470 -0.001 0.000 0.270 584 S C 0.637 175.230 174.600 -0.011 0.000 1.209 584 S CA -0.354 57.844 58.200 -0.002 0.000 0.988 584 S CB 0.705 63.906 63.200 0.002 0.000 1.006 584 S HN 0.653 8.963 8.310 0.000 0.000 0.558 585 E N 0.774 120.966 120.200 -0.014 0.000 2.107 585 E HA -0.033 4.317 4.350 -0.001 0.000 0.191 585 E C 2.314 178.902 176.600 -0.019 0.000 0.982 585 E CA 1.380 57.769 56.400 -0.018 0.000 0.809 585 E CB -0.993 28.697 29.700 -0.018 0.000 0.756 585 E HN 0.793 9.153 8.360 0.000 0.000 0.459 586 A N 1.274 124.083 122.820 -0.018 0.000 2.019 586 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 586 A C 1.978 179.547 177.584 -0.025 0.000 1.164 586 A CA 1.534 53.558 52.037 -0.022 0.000 0.644 586 A CB -0.369 18.618 19.000 -0.021 0.000 0.805 586 A HN 0.210 8.360 8.150 0.000 0.000 0.449 587 E N -0.442 119.745 120.200 -0.021 0.000 2.112 587 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 587 E C 1.986 178.574 176.600 -0.020 0.000 0.979 587 E CA 1.032 57.417 56.400 -0.024 0.000 0.814 587 E CB -0.056 29.635 29.700 -0.016 0.000 0.762 587 E HN 0.591 8.951 8.360 0.000 0.000 0.460 588 K N 0.140 120.530 120.400 -0.016 0.000 2.057 588 K HA -0.059 4.261 4.320 -0.001 0.000 0.206 588 K C 2.200 178.788 176.600 -0.021 0.000 1.050 588 K CA 1.515 57.794 56.287 -0.014 0.000 0.935 588 K CB -0.072 32.416 32.500 -0.020 0.000 0.715 588 K HN -0.008 8.242 8.250 0.000 0.000 0.439 589 T N 0.255 114.794 114.554 -0.025 0.000 2.821 589 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 589 T C 1.901 176.578 174.700 -0.039 0.000 1.046 589 T CA 1.416 63.498 62.100 -0.030 0.000 1.139 589 T CB -0.428 68.422 68.868 -0.028 0.000 0.871 589 T HN 0.486 8.726 8.240 0.000 0.000 0.454 590 G N 1.100 109.875 108.800 -0.043 0.000 2.402 590 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.216 590 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.216 590 G C 1.847 176.705 174.900 -0.071 0.000 1.162 590 G CA 0.803 45.868 45.100 -0.058 0.000 0.777 590 G HN 0.558 8.848 8.290 0.000 0.000 0.539 591 A N 0.298 123.086 122.820 -0.053 0.000 1.940 591 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 591 A C 2.305 179.854 177.584 -0.058 0.000 1.176 591 A CA 1.990 53.998 52.037 -0.048 0.000 0.631 591 A CB -0.453 18.549 19.000 0.003 0.000 0.814 591 A HN 0.449 8.599 8.150 0.000 0.000 0.446 592 Q N -0.916 118.857 119.800 -0.045 0.000 2.084 592 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 592 Q C 1.998 177.958 176.000 -0.065 0.000 0.978 592 Q CA 1.376 57.151 55.803 -0.047 0.000 0.844 592 Q CB -0.123 28.593 28.738 -0.037 0.000 0.898 592 Q HN 0.618 8.887 8.270 0.000 0.000 0.426 593 E N 0.569 120.725 120.200 -0.073 0.000 2.110 593 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 593 E C 2.042 178.572 176.600 -0.116 0.000 0.988 593 E CA 0.651 57.000 56.400 -0.084 0.000 0.804 593 E CB -0.192 29.459 29.700 -0.081 0.000 0.745 593 E HN 0.227 8.587 8.360 0.000 0.000 0.458 594 L N 0.736 121.870 121.223 -0.148 0.000 2.046 594 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 594 L C 2.185 178.932 176.870 -0.205 0.000 1.077 594 L CA 1.409 56.115 54.840 -0.224 0.000 0.747 594 L CB -0.544 41.328 42.059 -0.311 0.000 0.896 594 L HN 0.042 8.272 8.230 0.000 0.000 0.432 595 L N -0.711 120.424 121.223 -0.148 0.000 2.141 595 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 595 L C 2.794 179.609 176.870 -0.091 0.000 1.094 595 L CA 1.261 56.034 54.840 -0.111 0.000 0.763 595 L CB -0.425 41.593 42.059 -0.069 0.000 0.908 595 L HN 0.314 8.544 8.230 0.000 0.000 0.437 596 R N -0.359 120.089 120.500 -0.086 0.000 2.066 596 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 596 R C 2.198 178.454 176.300 -0.074 0.000 1.131 596 R CA 1.313 57.371 56.100 -0.071 0.000 0.955 596 R CB -0.117 30.143 30.300 -0.066 0.000 0.851 596 R HN 0.118 8.388 8.270 0.000 0.000 0.432 597 V N 1.176 121.036 119.914 -0.090 0.000 2.427 597 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 597 V C 2.053 178.109 176.094 -0.063 0.000 1.051 597 V CA 1.431 63.685 62.300 -0.076 0.000 1.048 597 V CB -0.296 31.476 31.823 -0.086 0.000 0.666 597 V HN 0.356 8.546 8.190 0.000 0.000 0.456 598 L N -0.572 120.599 121.223 -0.086 0.000 2.610 598 L HA 0.117 4.457 4.340 -0.001 0.000 0.232 598 L C 1.036 177.874 176.870 -0.055 0.000 1.149 598 L CA 0.168 54.966 54.840 -0.071 0.000 0.872 598 L CB -0.316 41.685 42.059 -0.096 0.000 0.992 598 L HN 0.268 8.498 8.230 0.000 0.000 0.447 599 R N 0.316 120.783 120.500 -0.055 0.000 3.264 599 R HA -0.157 4.183 4.340 -0.001 0.000 0.251 599 R C -0.489 175.784 176.300 -0.045 0.000 0.971 599 R CA 0.747 56.819 56.100 -0.047 0.000 0.658 599 R CB -1.664 28.612 30.300 -0.040 0.000 1.095 599 R HN 0.380 8.650 8.270 0.000 0.000 0.443 600 A N 1.048 123.838 122.820 -0.051 0.000 2.459 600 A HA 0.565 4.884 4.320 -0.001 0.000 0.296 600 A C -0.536 177.016 177.584 -0.053 0.000 1.039 600 A CA -0.754 51.252 52.037 -0.051 0.000 0.698 600 A CB 1.564 20.533 19.000 -0.052 0.000 1.261 600 A HN 0.214 8.364 8.150 0.000 0.000 0.405 601 Q N 2.301 122.068 119.800 -0.054 0.000 2.293 601 Q HA 0.573 4.912 4.340 -0.001 0.000 0.251 601 Q C -2.152 173.809 176.000 -0.065 0.000 0.930 601 Q CA -0.827 54.945 55.803 -0.052 0.000 0.893 601 Q CB 1.440 30.150 28.738 -0.047 0.000 1.215 601 Q HN 0.651 8.921 8.270 0.000 0.000 0.425 602 P HA 0.377 4.797 4.420 0.000 0.000 0.291 602 P C -1.387 175.885 177.300 -0.047 0.000 1.304 602 P CA -0.810 62.254 63.100 -0.059 0.000 0.929 602 P CB 1.357 33.053 31.700 -0.008 0.000 1.317 603 V N -1.290 118.595 119.914 -0.049 0.000 2.481 603 V HA 0.400 4.520 4.120 -0.001 0.000 0.286 603 V C -0.033 176.107 176.094 0.078 0.000 1.042 603 V CA -0.620 61.688 62.300 0.012 0.000 0.928 603 V CB 0.963 32.805 31.823 0.031 0.000 0.986 603 V HN 0.339 8.529 8.190 0.000 0.000 0.462 604 Q N 3.091 122.916 119.800 0.040 0.000 2.314 604 Q HA 0.580 4.919 4.340 -0.001 0.000 0.258 604 Q C -0.646 175.355 176.000 0.001 0.000 0.954 604 Q CA -0.128 55.687 55.803 0.021 0.000 0.890 604 Q CB 1.797 30.529 28.738 -0.010 0.000 1.210 604 Q HN 0.802 9.072 8.270 0.000 0.000 0.410 605 V N 1.096 120.980 119.914 -0.049 0.000 2.612 605 V HA 0.572 4.692 4.120 -0.001 0.000 0.301 605 V C -0.565 175.343 176.094 -0.310 0.000 1.059 605 V CA -1.077 61.124 62.300 -0.165 0.000 0.886 605 V CB 1.827 33.508 31.823 -0.236 0.000 1.007 605 V HN 0.831 9.021 8.190 0.000 0.000 0.426 606 A N 3.024 125.664 122.820 -0.301 0.000 2.309 606 A HA 0.621 4.940 4.320 -0.001 0.000 0.298 606 A C 0.180 177.468 177.584 -0.494 0.000 1.165 606 A CA -0.397 51.417 52.037 -0.371 0.000 0.821 606 A CB 0.525 19.395 19.000 -0.218 0.000 1.102 606 A HN 0.975 9.125 8.150 0.000 0.000 0.500 607 E N 1.247 121.014 120.200 -0.721 0.000 2.465 607 E HA 0.302 4.651 4.350 -0.001 0.000 0.260 607 E C 1.195 177.703 176.600 -0.154 0.000 0.980 607 E CA 1.107 57.153 56.400 -0.590 0.000 0.927 607 E CB 0.045 29.359 29.700 -0.643 0.000 0.934 607 E HN 1.474 9.834 8.360 0.000 0.000 0.459 608 G N 3.058 111.895 108.800 0.062 0.000 2.254 608 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.225 608 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.225 608 G C 0.322 175.277 174.900 0.091 0.000 1.003 608 G CA 0.297 45.465 45.100 0.113 0.000 0.622 608 G HN 1.063 9.353 8.290 0.000 0.000 0.507 609 S N 1.051 116.758 115.700 0.011 0.000 2.474 609 S HA 0.535 5.005 4.470 -0.001 0.000 0.224 609 S C -0.128 174.444 174.600 -0.045 0.000 1.209 609 S CA 0.027 58.233 58.200 0.010 0.000 1.212 609 S CB 0.677 63.866 63.200 -0.019 0.000 1.137 609 S HN 0.702 9.012 8.310 0.000 0.000 0.446 610 E N 1.042 121.211 120.200 -0.051 0.000 2.301 610 E HA 0.486 4.836 4.350 -0.001 0.000 0.275 610 E C -2.812 173.728 176.600 -0.099 0.000 1.030 610 E CA -2.191 54.050 56.400 -0.266 0.000 0.852 610 E CB -0.249 28.989 29.700 -0.770 0.000 1.060 610 E HN 0.182 8.542 8.360 0.000 0.000 0.401 611 P HA 0.069 4.489 4.420 0.000 0.000 0.272 611 P C 0.235 177.575 177.300 0.067 0.000 1.240 611 P CA -0.332 62.787 63.100 0.030 0.000 0.791 611 P CB 0.517 32.261 31.700 0.073 0.000 0.978 612 D N 0.651 121.138 120.400 0.145 0.000 2.310 612 D HA -0.075 4.564 4.640 -0.001 0.000 0.212 612 D C 2.005 178.393 176.300 0.148 0.000 0.965 612 D CA 1.204 55.328 54.000 0.206 0.000 0.879 612 D CB -0.387 40.515 40.800 0.170 0.000 0.921 612 D HN 0.541 8.911 8.370 0.000 0.000 0.510 613 G N 0.499 109.370 108.800 0.119 0.000 2.408 613 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 613 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 613 G C 1.431 176.328 174.900 -0.005 0.000 1.150 613 G CA 0.102 45.291 45.100 0.148 0.000 0.776 613 G HN 0.255 8.545 8.290 0.000 0.000 0.542 614 F N 0.222 119.868 119.950 -0.507 0.000 2.102 614 F HA -0.027 4.499 4.527 -0.001 0.000 0.298 614 F C 2.376 177.840 175.800 -0.559 0.000 1.105 614 F CA 1.463 58.883 58.000 -0.966 0.000 1.239 614 F CB -0.213 38.068 39.000 -1.198 0.000 0.991 614 F HN 0.228 8.528 8.300 0.000 0.000 0.474 615 W N 0.975 122.264 121.300 -0.018 0.000 2.402 615 W HA -0.092 4.568 4.660 -0.001 0.000 0.286 615 W C 2.343 178.778 176.519 -0.141 0.000 1.221 615 W CA 1.036 58.326 57.345 -0.092 0.000 1.257 615 W CB -0.368 29.115 29.460 0.039 0.000 1.120 615 W HN 0.065 8.245 8.180 0.000 0.000 0.551 616 E N 0.438 120.705 120.200 0.111 0.000 2.031 616 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 616 E C 2.386 178.982 176.600 -0.006 0.000 0.994 616 E CA 1.315 57.753 56.400 0.064 0.000 0.800 616 E CB -0.593 29.151 29.700 0.074 0.000 0.752 616 E HN 0.213 8.573 8.360 0.000 0.000 0.447 617 A N 1.124 123.909 122.820 -0.058 0.000 1.986 617 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 617 A C 2.101 179.606 177.584 -0.132 0.000 1.171 617 A CA 1.193 53.188 52.037 -0.070 0.000 0.640 617 A CB -0.553 18.422 19.000 -0.042 0.000 0.811 617 A HN 0.162 8.312 8.150 0.000 0.000 0.451 618 L N -1.653 119.441 121.223 -0.216 0.000 2.558 618 L HA 0.187 4.526 4.340 -0.001 0.000 0.225 618 L C 1.552 178.377 176.870 -0.075 0.000 1.128 618 L CA 0.527 55.248 54.840 -0.198 0.000 0.868 618 L CB -0.129 41.751 42.059 -0.299 0.000 1.006 618 L HN 0.598 8.828 8.230 0.000 0.000 0.454 619 G N 0.056 108.837 108.800 -0.032 0.000 2.142 619 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.225 619 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.225 619 G C 0.448 175.357 174.900 0.014 0.000 1.015 619 G CA -0.085 45.012 45.100 -0.005 0.000 0.716 619 G HN 0.793 9.083 8.290 0.000 0.000 0.508 620 G N -1.138 107.693 108.800 0.051 0.000 2.885 620 G HA2 0.341 4.300 3.960 -0.001 0.000 0.685 620 G HA3 0.341 4.300 3.960 -0.001 0.000 0.685 620 G C -0.306 174.613 174.900 0.031 0.000 1.216 620 G CA 0.245 45.371 45.100 0.043 0.000 0.790 620 G HN 1.114 9.404 8.290 0.000 0.000 0.631 621 K N 0.731 121.062 120.400 -0.115 0.000 2.382 621 K HA 0.638 4.958 4.320 -0.001 0.000 0.275 621 K C 0.518 176.901 176.600 -0.362 0.000 1.009 621 K CA 0.539 56.476 56.287 -0.583 0.000 0.970 621 K CB 0.568 32.321 32.500 -1.245 0.000 0.934 621 K HN 1.798 10.048 8.250 0.000 0.000 0.479 622 A N 2.484 125.121 122.820 -0.305 0.000 2.602 622 A HA 0.655 4.975 4.320 -0.001 0.000 0.290 622 A C -1.373 176.181 177.584 -0.050 0.000 1.114 622 A CA -0.603 51.354 52.037 -0.134 0.000 0.683 622 A CB 1.007 19.980 19.000 -0.045 0.000 1.281 622 A HN 0.825 8.975 8.150 0.000 0.000 0.416 623 A N -0.258 122.529 122.820 -0.055 0.000 2.425 623 A HA 0.645 4.965 4.320 -0.001 0.000 0.242 623 A C -0.130 177.467 177.584 0.022 0.000 1.077 623 A CA 0.713 52.694 52.037 -0.094 0.000 0.781 623 A CB -0.292 18.645 19.000 -0.105 0.000 1.020 623 A HN 1.916 10.066 8.150 0.000 0.000 0.494 624 Y N -0.864 119.426 120.300 -0.017 0.000 2.974 624 Y HA 0.743 5.293 4.550 -0.001 0.000 0.310 624 Y C -0.219 175.671 175.900 -0.017 0.000 1.526 624 Y CA -1.607 56.477 58.100 -0.027 0.000 1.087 624 Y CB 0.553 38.983 38.460 -0.051 0.000 1.404 624 Y HN 0.457 8.737 8.280 0.000 0.000 0.491 625 R N 1.034 121.682 120.500 0.247 0.000 2.272 625 R HA 0.499 4.838 4.340 -0.001 0.000 0.334 625 R C -0.663 175.706 176.300 0.115 0.000 1.117 625 R CA 0.191 56.349 56.100 0.097 0.000 0.966 625 R CB 0.414 30.744 30.300 0.049 0.000 1.049 625 R HN 0.748 9.018 8.270 0.000 0.000 0.477 626 T N 0.695 115.239 114.554 -0.017 0.000 2.843 626 T HA 0.714 5.064 4.350 -0.001 0.000 0.302 626 T C -1.495 173.205 174.700 -0.000 0.000 1.232 626 T CA -0.431 61.665 62.100 -0.005 0.000 1.009 626 T CB 1.312 70.121 68.868 -0.098 0.000 1.254 626 T HN 0.599 8.839 8.240 0.000 0.000 0.504 627 S N 1.869 117.590 115.700 0.036 0.000 2.686 627 S HA 0.429 4.898 4.470 -0.001 0.000 0.273 627 S C -2.827 171.832 174.600 0.097 0.000 1.060 627 S CA -0.828 57.420 58.200 0.081 0.000 0.845 627 S CB 0.759 64.047 63.200 0.146 0.000 1.086 627 S HN 0.435 8.745 8.310 0.000 0.000 0.461 628 P HA -0.036 4.384 4.420 0.000 0.000 0.215 628 P C 1.655 179.042 177.300 0.144 0.000 1.153 628 P CA 1.220 64.383 63.100 0.106 0.000 0.853 628 P CB 0.008 31.766 31.700 0.097 0.000 0.788 629 R N 0.035 120.657 120.500 0.204 0.000 2.073 629 R HA -0.061 4.278 4.340 -0.001 0.000 0.234 629 R C 2.158 178.656 176.300 0.331 0.000 1.134 629 R CA 1.495 57.774 56.100 0.298 0.000 0.952 629 R CB -1.565 28.981 30.300 0.410 0.000 0.850 629 R HN 0.114 8.384 8.270 0.000 0.000 0.433 630 L N 0.199 121.548 121.223 0.210 0.000 2.131 630 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 630 L C 2.235 179.124 176.870 0.032 0.000 1.092 630 L CA 1.478 56.297 54.840 -0.035 0.000 0.759 630 L CB -0.255 41.673 42.059 -0.218 0.000 0.903 630 L HN 0.174 8.404 8.230 0.000 0.000 0.435 631 K N -0.772 119.674 120.400 0.077 0.000 2.296 631 K HA -0.072 4.247 4.320 -0.001 0.000 0.200 631 K C 0.420 177.063 176.600 0.072 0.000 1.048 631 K CA 0.051 56.379 56.287 0.068 0.000 0.966 631 K CB -0.031 32.508 32.500 0.066 0.000 0.754 631 K HN 0.129 8.379 8.250 0.000 0.000 0.466 632 D N 2.129 122.593 120.400 0.107 0.000 2.402 632 D HA -0.081 4.559 4.640 -0.001 0.000 0.268 632 D C 0.631 176.986 176.300 0.093 0.000 1.294 632 D CA 0.571 54.635 54.000 0.107 0.000 0.945 632 D CB 0.784 41.670 40.800 0.145 0.000 1.112 632 D HN -0.006 8.364 8.370 0.000 0.000 0.517 633 K N 3.653 124.089 120.400 0.059 0.000 2.432 633 K HA -0.075 4.244 4.320 -0.001 0.000 0.196 633 K C 0.968 177.594 176.600 0.043 0.000 1.038 633 K CA -0.118 56.195 56.287 0.043 0.000 0.986 633 K CB 0.193 32.705 32.500 0.019 0.000 0.782 633 K HN 0.289 8.539 8.250 0.000 0.000 0.485 634 K N 1.570 122.001 120.400 0.051 0.000 2.591 634 K HA -0.159 4.160 4.320 -0.001 0.000 0.280 634 K C -0.458 176.160 176.600 0.029 0.000 0.964 634 K CA 0.525 56.836 56.287 0.039 0.000 1.014 634 K CB 0.306 32.837 32.500 0.051 0.000 0.877 634 K HN -0.045 8.205 8.250 0.000 0.000 0.502 635 M N 3.785 123.388 119.600 0.005 0.000 2.217 635 M HA 0.004 4.483 4.480 -0.001 0.000 0.352 635 M C -0.241 176.037 176.300 -0.037 0.000 1.376 635 M CA 0.492 55.781 55.300 -0.017 0.000 1.107 635 M CB 0.605 33.187 32.600 -0.030 0.000 1.723 635 M HN 0.535 8.825 8.290 0.000 0.000 0.461 636 D N 3.172 123.538 120.400 -0.057 0.000 2.542 636 D HA 0.381 5.021 4.640 -0.001 0.000 0.252 636 D C -0.247 175.926 176.300 -0.211 0.000 1.222 636 D CA -0.632 53.305 54.000 -0.105 0.000 0.895 636 D CB 1.219 41.993 40.800 -0.043 0.000 1.207 636 D HN 0.582 8.951 8.370 0.000 0.000 0.558 637 A N 2.980 125.579 122.820 -0.368 0.000 2.252 637 A HA 0.011 4.330 4.320 -0.001 0.000 0.207 637 A C 0.206 177.340 177.584 -0.750 0.000 1.194 637 A CA 0.222 51.957 52.037 -0.504 0.000 0.809 637 A CB -0.640 18.040 19.000 -0.534 0.000 0.814 637 A HN 0.689 8.839 8.150 0.000 0.000 0.482 638 H N -0.493 118.353 119.070 -0.374 0.000 2.471 638 H HA 0.266 4.821 4.556 -0.001 0.000 0.234 638 H C -2.845 172.339 175.328 -0.240 0.000 1.388 638 H CA -1.926 53.854 56.048 -0.446 0.000 1.198 638 H CB -0.001 29.183 29.762 -0.963 0.000 1.714 638 H HN 0.214 8.494 8.280 0.000 0.000 0.536 639 P HA -0.012 4.408 4.420 0.000 0.000 0.267 639 P C -2.423 174.762 177.300 -0.193 0.000 1.200 639 P CA -1.016 61.998 63.100 -0.144 0.000 0.772 639 P CB 0.325 31.957 31.700 -0.113 0.000 0.855 640 P HA 0.095 4.515 4.420 0.000 0.000 0.265 640 P C -0.374 176.743 177.300 -0.306 0.000 1.193 640 P CA 0.547 63.383 63.100 -0.439 0.000 0.765 640 P CB 0.523 31.675 31.700 -0.913 0.000 0.823 641 R N 2.182 122.540 120.500 -0.236 0.000 2.637 641 R HA 0.663 5.003 4.340 -0.001 0.000 0.291 641 R C -0.914 175.137 176.300 -0.416 0.000 0.963 641 R CA -1.122 54.773 56.100 -0.342 0.000 0.901 641 R CB 1.618 31.733 30.300 -0.308 0.000 1.160 641 R HN 0.346 8.616 8.270 0.000 0.000 0.457 642 L N 2.779 123.658 121.223 -0.572 0.000 2.362 642 L HA 0.577 4.916 4.340 -0.001 0.000 0.275 642 L C -1.646 174.864 176.870 -0.600 0.000 0.998 642 L CA -0.261 54.353 54.840 -0.377 0.000 0.820 642 L CB 1.222 43.150 42.059 -0.218 0.000 1.270 642 L HN 0.445 8.675 8.230 0.000 0.000 0.415 643 F N 3.593 123.549 119.950 0.011 0.000 2.532 643 F HA 0.784 5.311 4.527 -0.001 0.000 0.321 643 F C 0.279 176.126 175.800 0.077 0.000 1.089 643 F CA -0.687 57.330 58.000 0.029 0.000 0.926 643 F CB 2.002 41.011 39.000 0.016 0.000 1.168 643 F HN 0.585 8.885 8.300 0.000 0.000 0.459 644 A N 1.858 124.814 122.820 0.227 0.000 2.276 644 A HA 0.680 4.999 4.320 -0.001 0.000 0.316 644 A C -1.118 176.524 177.584 0.096 0.000 1.229 644 A CA -0.474 51.657 52.037 0.157 0.000 0.851 644 A CB 0.110 19.167 19.000 0.096 0.000 1.165 644 A HN 0.873 9.023 8.150 0.000 0.000 0.513 645 C N 1.880 121.224 119.300 0.074 0.000 2.345 645 C HA 0.846 5.306 4.460 -0.001 0.000 0.323 645 C C 0.470 175.385 174.990 -0.125 0.000 1.276 645 C CA -0.567 58.350 59.018 -0.168 0.000 1.543 645 C CB 0.292 28.046 27.740 0.023 0.000 2.211 645 C HN 0.916 9.146 8.230 0.000 0.000 0.493 646 S N 1.517 117.039 115.700 -0.298 0.000 2.541 646 S HA 0.466 4.936 4.470 -0.001 0.000 0.271 646 S C -0.118 174.468 174.600 -0.023 0.000 1.133 646 S CA -0.648 57.521 58.200 -0.051 0.000 0.876 646 S CB 0.825 64.025 63.200 0.000 0.000 1.105 646 S HN 0.915 9.225 8.310 0.000 0.000 0.470 647 N N 2.868 121.652 118.700 0.139 0.000 2.275 647 N HA 0.185 4.924 4.740 -0.001 0.000 0.236 647 N C 1.149 176.716 175.510 0.096 0.000 1.154 647 N CA -0.588 52.560 53.050 0.163 0.000 0.866 647 N CB 0.275 38.908 38.487 0.243 0.000 1.093 647 N HN 0.525 8.905 8.380 0.000 0.000 0.515 648 K N 1.945 122.385 120.400 0.067 0.000 2.074 648 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 648 K C 1.866 178.493 176.600 0.045 0.000 1.048 648 K CA 1.677 57.996 56.287 0.053 0.000 0.926 648 K CB -0.224 32.302 32.500 0.043 0.000 0.713 648 K HN 0.550 8.800 8.250 0.000 0.000 0.444 649 I N -3.228 117.366 120.570 0.040 0.000 3.334 649 I HA 0.124 4.294 4.170 -0.001 0.000 0.282 649 I C 0.900 177.042 176.117 0.042 0.000 1.313 649 I CA 0.956 62.277 61.300 0.036 0.000 1.396 649 I CB -0.059 37.959 38.000 0.029 0.000 1.054 649 I HN 0.358 8.568 8.210 0.000 0.000 0.495 650 G N 1.439 110.271 108.800 0.054 0.000 2.179 650 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 650 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 650 G C 0.151 175.091 174.900 0.067 0.000 0.990 650 G CA 0.120 45.253 45.100 0.054 0.000 0.646 650 G HN 0.632 8.922 8.290 0.000 0.000 0.517 651 R N -1.017 119.533 120.500 0.083 0.000 2.740 651 R HA 0.703 5.042 4.340 -0.001 0.000 0.273 651 R C -1.113 175.287 176.300 0.166 0.000 0.998 651 R CA -0.955 55.211 56.100 0.110 0.000 0.900 651 R CB 0.683 31.030 30.300 0.079 0.000 1.223 651 R HN 0.240 8.510 8.270 0.000 0.000 0.466 652 F N 3.706 123.674 119.950 0.029 0.000 2.467 652 F HA 0.490 5.017 4.527 -0.001 0.000 0.362 652 F C -0.869 174.957 175.800 0.042 0.000 1.090 652 F CA 0.152 58.174 58.000 0.038 0.000 1.202 652 F CB 0.767 39.786 39.000 0.031 0.000 1.113 652 F HN 0.146 8.446 8.300 0.000 0.000 0.541 653 V N 7.583 127.277 119.914 -0.365 0.000 2.735 653 V HA 0.464 4.584 4.120 -0.001 0.000 0.310 653 V C -0.245 175.600 176.094 -0.415 0.000 1.061 653 V CA -0.932 61.210 62.300 -0.263 0.000 0.913 653 V CB 2.039 33.796 31.823 -0.110 0.000 1.005 653 V HN 0.551 8.741 8.190 0.000 0.000 0.428 654 I N 3.302 123.750 120.570 -0.203 0.000 2.465 654 I HA 0.544 4.713 4.170 -0.001 0.000 0.291 654 I C -0.390 175.772 176.117 0.076 0.000 1.014 654 I CA -0.391 60.865 61.300 -0.074 0.000 1.093 654 I CB 1.969 39.977 38.000 0.015 0.000 1.267 654 I HN 0.631 8.841 8.210 0.000 0.000 0.431 655 E N 5.014 125.294 120.200 0.135 0.000 2.248 655 E HA 0.296 4.646 4.350 -0.001 0.000 0.267 655 E C -1.174 175.558 176.600 0.220 0.000 0.877 655 E CA -0.798 55.693 56.400 0.152 0.000 0.759 655 E CB 2.990 32.733 29.700 0.073 0.000 1.182 655 E HN 0.519 8.879 8.360 0.000 0.000 0.418 656 E N 2.225 122.540 120.200 0.191 0.000 2.283 656 E HA 0.219 4.569 4.350 -0.001 0.000 0.278 656 E C -0.884 175.647 176.600 -0.115 0.000 1.027 656 E CA -0.580 55.785 56.400 -0.059 0.000 0.843 656 E CB 1.093 30.714 29.700 -0.131 0.000 1.062 656 E HN 0.141 8.501 8.360 0.000 0.000 0.401 657 V N 7.425 127.218 119.914 -0.203 0.000 2.488 657 V HA 0.233 4.353 4.120 -0.001 0.000 0.277 657 V C -1.549 174.455 176.094 -0.150 0.000 1.046 657 V CA -1.073 61.148 62.300 -0.131 0.000 0.986 657 V CB 0.689 32.444 31.823 -0.112 0.000 0.989 657 V HN 0.781 8.971 8.190 0.000 0.000 0.475 658 P HA 0.516 4.936 4.420 0.000 0.000 0.284 658 P C 0.386 177.639 177.300 -0.079 0.000 1.292 658 P CA 0.553 63.603 63.100 -0.082 0.000 0.800 658 P CB 1.039 32.712 31.700 -0.046 0.000 1.188 659 G N 0.241 109.001 108.800 -0.066 0.000 2.601 659 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.261 659 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.261 659 G C -0.422 174.435 174.900 -0.071 0.000 1.289 659 G CA -0.272 44.794 45.100 -0.058 0.000 0.920 659 G HN 0.643 8.933 8.290 0.000 0.000 0.571 660 E N 0.185 120.352 120.200 -0.056 0.000 2.383 660 E HA 0.393 4.743 4.350 -0.001 0.000 0.264 660 E C 0.827 177.382 176.600 -0.076 0.000 1.050 660 E CA -0.317 56.048 56.400 -0.059 0.000 0.896 660 E CB 0.599 30.280 29.700 -0.033 0.000 0.982 660 E HN 0.479 8.839 8.360 0.000 0.000 0.424 661 L N 3.642 124.791 121.223 -0.124 0.000 2.319 661 L HA 0.296 4.636 4.340 -0.001 0.000 0.280 661 L C 0.526 177.408 176.870 0.021 0.000 1.099 661 L CA 0.166 54.897 54.840 -0.182 0.000 0.828 661 L CB 0.052 41.785 42.059 -0.542 0.000 1.150 661 L HN 0.278 8.508 8.230 0.000 0.000 0.442 662 M N 2.161 121.863 119.600 0.172 0.000 2.572 662 M HA 0.231 4.711 4.480 -0.001 0.000 0.299 662 M C 0.559 176.961 176.300 0.170 0.000 1.205 662 M CA -0.628 54.799 55.300 0.211 0.000 0.876 662 M CB 2.528 35.137 32.600 0.014 0.000 1.728 662 M HN 0.508 8.798 8.290 0.000 0.000 0.458 663 Q N 0.877 120.582 119.800 -0.158 0.000 2.152 663 Q HA -0.202 4.138 4.340 -0.001 0.000 0.206 663 Q C 1.461 177.070 176.000 -0.651 0.000 0.985 663 Q CA 1.779 57.141 55.803 -0.735 0.000 0.863 663 Q CB 0.264 28.129 28.738 -1.456 0.000 0.904 663 Q HN 0.576 8.846 8.270 0.000 0.000 0.422 664 E N 0.760 120.670 120.200 -0.484 0.000 2.204 664 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 664 E C 1.128 177.687 176.600 -0.068 0.000 0.990 664 E CA 0.984 57.252 56.400 -0.221 0.000 0.821 664 E CB -0.084 29.566 29.700 -0.083 0.000 0.750 664 E HN 0.433 8.793 8.360 0.000 0.000 0.477 665 D N -0.198 120.168 120.400 -0.057 0.000 2.350 665 D HA -0.074 4.566 4.640 -0.001 0.000 0.216 665 D C 0.369 176.658 176.300 -0.019 0.000 0.968 665 D CA 0.256 54.253 54.000 -0.005 0.000 0.894 665 D CB 0.083 40.899 40.800 0.027 0.000 0.909 665 D HN 0.212 8.582 8.370 0.000 0.000 0.520 666 L N 1.447 122.608 121.223 -0.103 0.000 2.342 666 L HA 0.255 4.594 4.340 -0.001 0.000 0.285 666 L C 0.476 177.330 176.870 -0.026 0.000 1.095 666 L CA -0.668 53.989 54.840 -0.304 0.000 0.843 666 L CB 0.790 42.323 42.059 -0.877 0.000 1.201 666 L HN -0.158 8.072 8.230 0.000 0.000 0.445 667 A N 2.242 125.120 122.820 0.098 0.000 2.444 667 A HA 0.218 4.537 4.320 -0.001 0.000 0.287 667 A C 1.500 179.297 177.584 0.355 0.000 1.195 667 A CA -0.042 52.122 52.037 0.212 0.000 0.858 667 A CB -0.021 19.083 19.000 0.173 0.000 1.117 667 A HN 0.878 9.028 8.150 0.000 0.000 0.521 668 T N -0.496 114.245 114.554 0.310 0.000 2.929 668 T HA -0.128 4.221 4.350 -0.001 0.000 0.271 668 T C 0.662 175.437 174.700 0.124 0.000 1.085 668 T CA 1.767 63.997 62.100 0.216 0.000 1.125 668 T CB -0.199 68.721 68.868 0.087 0.000 0.874 668 T HN 0.575 8.815 8.240 0.000 0.000 0.494 669 D N 1.338 121.819 120.400 0.135 0.000 2.340 669 D HA 0.163 4.803 4.640 -0.001 0.000 0.220 669 D C 0.232 176.602 176.300 0.116 0.000 1.039 669 D CA 0.256 54.314 54.000 0.096 0.000 0.866 669 D CB 0.253 41.103 40.800 0.085 0.000 0.913 669 D HN 0.528 8.898 8.370 0.000 0.000 0.523 670 D N -0.631 119.874 120.400 0.175 0.000 2.801 670 D HA 0.345 4.985 4.640 -0.001 0.000 0.277 670 D C -0.311 176.143 176.300 0.257 0.000 1.125 670 D CA -0.606 53.507 54.000 0.189 0.000 1.102 670 D CB 2.000 42.904 40.800 0.172 0.000 1.400 670 D HN -0.315 8.055 8.370 0.000 0.000 0.601 671 V N 1.210 121.291 119.914 0.278 0.000 2.680 671 V HA 0.496 4.615 4.120 -0.001 0.000 0.309 671 V C -0.285 176.042 176.094 0.389 0.000 1.052 671 V CA -0.631 61.872 62.300 0.338 0.000 0.908 671 V CB 1.784 33.780 31.823 0.287 0.000 1.001 671 V HN 0.372 8.562 8.190 0.000 0.000 0.431 672 M N 4.862 124.764 119.600 0.504 0.000 2.602 672 M HA 0.631 5.111 4.480 -0.001 0.000 0.312 672 M C -1.038 175.541 176.300 0.464 0.000 1.181 672 M CA -0.526 55.039 55.300 0.441 0.000 0.910 672 M CB 2.029 34.867 32.600 0.397 0.000 1.723 672 M HN 0.348 8.638 8.290 0.000 0.000 0.459 673 L N 2.867 124.347 121.223 0.428 0.000 2.333 673 L HA 0.566 4.905 4.340 -0.001 0.000 0.280 673 L C -0.899 176.221 176.870 0.417 0.000 1.004 673 L CA -0.535 54.561 54.840 0.428 0.000 0.820 673 L CB 2.101 44.377 42.059 0.362 0.000 1.247 673 L HN 0.503 8.733 8.230 0.000 0.000 0.416 674 L N 3.940 125.429 121.223 0.443 0.000 2.295 674 L HA 0.397 4.736 4.340 -0.001 0.000 0.281 674 L C -0.987 176.050 176.870 0.279 0.000 1.018 674 L CA -0.249 54.778 54.840 0.310 0.000 0.841 674 L CB 1.479 43.758 42.059 0.366 0.000 1.218 674 L HN 0.577 8.807 8.230 0.000 0.000 0.424 675 D N 2.925 123.412 120.400 0.145 0.000 2.443 675 D HA 0.115 4.755 4.640 -0.001 0.000 0.221 675 D C 1.025 177.332 176.300 0.012 0.000 1.097 675 D CA -0.195 53.865 54.000 0.100 0.000 0.865 675 D CB 1.428 42.308 40.800 0.133 0.000 1.034 675 D HN 0.595 8.965 8.370 0.000 0.000 0.511 676 T N 0.959 115.506 114.554 -0.011 0.000 3.235 676 T HA 0.032 4.382 4.350 -0.001 0.000 0.251 676 T C 1.431 176.182 174.700 0.086 0.000 1.060 676 T CA -0.440 61.579 62.100 -0.134 0.000 0.949 676 T CB -0.435 68.337 68.868 -0.160 0.000 1.020 676 T HN 0.641 8.881 8.240 0.000 0.000 0.564 677 W N 1.876 123.115 121.300 -0.102 0.000 0.688 677 W HA -0.375 4.284 4.660 -0.001 0.000 0.217 677 W C 0.445 176.918 176.519 -0.076 0.000 0.919 677 W CA 2.188 59.474 57.345 -0.099 0.000 0.341 677 W CB -1.490 27.910 29.460 -0.101 0.000 1.913 677 W HN 0.627 8.807 8.180 0.000 0.000 1.347 678 D N 0.839 121.283 120.400 0.073 0.000 2.347 678 D HA -0.027 4.613 4.640 -0.001 0.000 0.213 678 D C 0.903 177.162 176.300 -0.069 0.000 0.985 678 D CA 1.485 55.488 54.000 0.006 0.000 0.879 678 D CB 0.235 41.097 40.800 0.102 0.000 0.919 678 D HN 0.433 8.803 8.370 0.000 0.000 0.526 679 Q N -0.234 119.513 119.800 -0.089 0.000 2.527 679 Q HA 0.412 4.751 4.340 -0.001 0.000 0.280 679 Q C -2.421 173.476 176.000 -0.172 0.000 0.977 679 Q CA -0.819 54.881 55.803 -0.171 0.000 0.837 679 Q CB 2.258 30.861 28.738 -0.224 0.000 1.454 679 Q HN -0.089 8.181 8.270 0.000 0.000 0.387 680 V N 3.317 123.114 119.914 -0.196 0.000 2.444 680 V HA 0.527 4.647 4.120 -0.001 0.000 0.294 680 V C -1.007 175.057 176.094 -0.049 0.000 1.022 680 V CA -0.478 61.790 62.300 -0.053 0.000 0.850 680 V CB 1.056 32.878 31.823 -0.002 0.000 0.992 680 V HN 0.645 8.835 8.190 0.000 0.000 0.426 681 F N 3.324 123.411 119.950 0.229 0.000 2.404 681 F HA 0.559 5.085 4.527 -0.001 0.000 0.339 681 F C 0.292 176.281 175.800 0.315 0.000 1.105 681 F CA -0.685 57.500 58.000 0.308 0.000 1.087 681 F CB 1.775 41.105 39.000 0.549 0.000 1.143 681 F HN 0.169 8.469 8.300 0.000 0.000 0.491 682 V N 3.358 123.529 119.914 0.428 0.000 2.311 682 V HA 0.096 4.215 4.120 -0.001 0.000 0.275 682 V C -0.908 175.399 176.094 0.356 0.000 1.022 682 V CA -0.887 61.624 62.300 0.352 0.000 0.830 682 V CB 0.654 32.608 31.823 0.218 0.000 1.012 682 V HN 0.758 8.948 8.190 0.000 0.000 0.452 683 W N 5.962 127.384 121.300 0.202 0.000 2.338 683 W HA 0.620 5.280 4.660 -0.001 0.000 0.307 683 W C -0.631 175.930 176.519 0.069 0.000 1.167 683 W CA -0.507 56.875 57.345 0.062 0.000 1.208 683 W CB 1.363 30.883 29.460 0.099 0.000 1.228 683 W HN 0.361 8.541 8.180 0.000 0.000 0.499 684 V N 7.644 127.296 119.914 -0.436 0.000 2.350 684 V HA 0.438 4.558 4.120 -0.001 0.000 0.276 684 V C 0.923 176.538 176.094 -0.799 0.000 1.028 684 V CA -0.756 61.313 62.300 -0.386 0.000 0.860 684 V CB 0.524 32.201 31.823 -0.244 0.000 0.990 684 V HN 0.758 8.948 8.190 0.000 0.000 0.453 685 G N 2.920 111.447 108.800 -0.456 0.000 2.441 685 G HA2 0.150 4.110 3.960 -0.001 0.000 0.243 685 G HA3 0.150 4.110 3.960 -0.001 0.000 0.243 685 G C 0.745 175.464 174.900 -0.301 0.000 1.281 685 G CA -0.242 44.620 45.100 -0.396 0.000 0.854 685 G HN 0.829 9.119 8.290 0.000 0.000 0.560 686 K N 0.566 120.774 120.400 -0.320 0.000 2.152 686 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 686 K C 0.691 177.226 176.600 -0.108 0.000 1.048 686 K CA 1.599 57.762 56.287 -0.206 0.000 0.933 686 K CB 0.172 32.553 32.500 -0.198 0.000 0.721 686 K HN 0.477 8.727 8.250 0.000 0.000 0.447 687 D N 0.498 120.857 120.400 -0.068 0.000 2.427 687 D HA 0.017 4.656 4.640 -0.001 0.000 0.224 687 D C -0.077 176.225 176.300 0.003 0.000 1.157 687 D CA 0.072 54.060 54.000 -0.021 0.000 0.828 687 D CB 0.558 41.359 40.800 0.000 0.000 0.974 687 D HN 0.195 8.565 8.370 0.000 0.000 0.498 688 S N -0.357 115.340 115.700 -0.005 0.000 2.645 688 S HA 0.354 4.823 4.470 -0.001 0.000 0.266 688 S C 0.355 174.970 174.600 0.024 0.000 1.258 688 S CA -0.721 57.498 58.200 0.031 0.000 0.990 688 S CB 1.735 64.960 63.200 0.043 0.000 0.967 688 S HN -0.012 8.298 8.310 0.000 0.000 0.556 689 Q N 0.019 119.849 119.800 0.048 0.000 2.205 689 Q HA 0.311 4.650 4.340 -0.001 0.000 0.249 689 Q C 0.711 176.729 176.000 0.030 0.000 0.948 689 Q CA -0.929 54.895 55.803 0.036 0.000 0.895 689 Q CB 0.855 29.621 28.738 0.048 0.000 1.249 689 Q HN 0.654 8.924 8.270 0.000 0.000 0.458 690 E N 1.477 121.683 120.200 0.009 0.000 2.085 690 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 690 E C 1.282 177.878 176.600 -0.007 0.000 0.994 690 E CA 1.545 57.943 56.400 -0.004 0.000 0.801 690 E CB 0.280 29.972 29.700 -0.013 0.000 0.743 690 E HN 0.558 8.918 8.360 0.000 0.000 0.453 691 E N 0.553 120.751 120.200 -0.003 0.000 2.204 691 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 691 E C 1.882 178.461 176.600 -0.035 0.000 0.990 691 E CA 0.809 57.193 56.400 -0.027 0.000 0.821 691 E CB -0.132 29.562 29.700 -0.010 0.000 0.750 691 E HN 0.376 8.736 8.360 0.000 0.000 0.477 692 E N 0.475 120.712 120.200 0.061 0.000 2.107 692 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 692 E C 1.902 178.578 176.600 0.126 0.000 0.982 692 E CA 0.784 57.297 56.400 0.187 0.000 0.809 692 E CB -0.005 29.855 29.700 0.265 0.000 0.756 692 E HN 0.126 8.486 8.360 0.000 0.000 0.459 693 K N 0.581 121.018 120.400 0.061 0.000 2.103 693 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 693 K C 2.040 178.630 176.600 -0.017 0.000 1.052 693 K CA 1.427 57.742 56.287 0.047 0.000 0.945 693 K CB 0.056 32.568 32.500 0.020 0.000 0.722 693 K HN -0.030 8.220 8.250 0.000 0.000 0.443 694 T N 1.605 116.117 114.554 -0.070 0.000 2.652 694 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 694 T C 1.487 176.066 174.700 -0.201 0.000 1.039 694 T CA 1.397 63.431 62.100 -0.111 0.000 1.153 694 T CB -0.141 68.661 68.868 -0.111 0.000 0.863 694 T HN 0.282 8.522 8.240 0.000 0.000 0.428 695 E N 0.971 120.930 120.200 -0.402 0.000 2.208 695 E HA 0.069 4.419 4.350 -0.001 0.000 0.193 695 E C 2.428 178.699 176.600 -0.548 0.000 0.988 695 E CA 0.794 56.743 56.400 -0.752 0.000 0.828 695 E CB -0.423 28.291 29.700 -1.643 0.000 0.763 695 E HN 0.506 8.866 8.360 0.000 0.000 0.478 696 A N 1.018 123.737 122.820 -0.167 0.000 1.930 696 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 696 A C 2.340 179.997 177.584 0.123 0.000 1.175 696 A CA 0.845 53.022 52.037 0.234 0.000 0.627 696 A CB -0.589 18.602 19.000 0.320 0.000 0.815 696 A HN 0.179 8.329 8.150 0.000 0.000 0.443 697 L N -0.759 120.485 121.223 0.035 0.000 2.046 697 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 697 L C 2.768 179.638 176.870 -0.000 0.000 1.077 697 L CA 1.759 56.614 54.840 0.025 0.000 0.747 697 L CB -0.786 41.271 42.059 -0.004 0.000 0.896 697 L HN 0.338 8.568 8.230 0.000 0.000 0.432 698 T N -1.197 113.328 114.554 -0.049 0.000 2.788 698 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 698 T C 2.111 176.793 174.700 -0.030 0.000 1.044 698 T CA 1.590 63.654 62.100 -0.059 0.000 1.139 698 T CB -0.070 68.734 68.868 -0.106 0.000 0.867 698 T HN 0.260 8.500 8.240 0.000 0.000 0.454 699 S N 1.199 116.912 115.700 0.023 0.000 2.387 699 S HA 0.062 4.532 4.470 -0.001 0.000 0.226 699 S C 2.576 177.245 174.600 0.113 0.000 1.026 699 S CA 0.759 58.995 58.200 0.060 0.000 0.972 699 S CB -0.442 62.902 63.200 0.240 0.000 0.814 699 S HN 0.583 8.893 8.310 0.000 0.000 0.477 700 A N 1.998 124.904 122.820 0.144 0.000 1.877 700 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 700 A C 2.029 179.655 177.584 0.070 0.000 1.186 700 A CA 1.861 53.987 52.037 0.147 0.000 0.620 700 A CB -0.541 18.521 19.000 0.104 0.000 0.822 700 A HN 0.470 8.620 8.150 0.000 0.000 0.443 701 K N -0.439 119.969 120.400 0.013 0.000 2.057 701 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 701 K C 2.339 178.907 176.600 -0.052 0.000 1.049 701 K CA 1.547 57.817 56.287 -0.028 0.000 0.931 701 K CB -0.219 32.258 32.500 -0.038 0.000 0.714 701 K HN 0.443 8.693 8.250 0.000 0.000 0.440 702 R N -0.516 119.934 120.500 -0.083 0.000 2.081 702 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 702 R C 2.036 178.221 176.300 -0.191 0.000 1.131 702 R CA 1.742 57.748 56.100 -0.156 0.000 0.960 702 R CB -0.388 29.777 30.300 -0.225 0.000 0.856 702 R HN 0.303 8.573 8.270 0.000 0.000 0.436 703 Y N 0.425 120.663 120.300 -0.103 0.000 2.145 703 Y HA -0.177 4.373 4.550 -0.001 0.000 0.286 703 Y C 2.219 178.030 175.900 -0.149 0.000 1.145 703 Y CA 1.534 59.561 58.100 -0.123 0.000 1.148 703 Y CB -0.037 38.331 38.460 -0.153 0.000 0.981 703 Y HN 0.048 8.328 8.280 0.000 0.000 0.507 704 I N -0.120 120.442 120.570 -0.014 0.000 2.394 704 I HA -0.252 3.917 4.170 -0.001 0.000 0.251 704 I C 1.564 177.594 176.117 -0.144 0.000 1.136 704 I CA 1.435 62.642 61.300 -0.154 0.000 1.425 704 I CB -0.294 37.617 38.000 -0.149 0.000 1.079 704 I HN 0.297 8.507 8.210 0.000 0.000 0.425 705 E N -0.015 120.129 120.200 -0.093 0.000 2.502 705 E HA -0.062 4.287 4.350 -0.001 0.000 0.194 705 E C 1.822 178.389 176.600 -0.055 0.000 1.062 705 E CA 0.533 56.888 56.400 -0.076 0.000 0.867 705 E CB 0.052 29.711 29.700 -0.068 0.000 0.888 705 E HN 0.428 8.788 8.360 0.000 0.000 0.510 706 T N 0.919 115.446 114.554 -0.046 0.000 2.777 706 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 706 T C 0.907 175.628 174.700 0.034 0.000 1.040 706 T CA 1.339 63.437 62.100 -0.005 0.000 1.141 706 T CB 0.014 68.900 68.868 0.031 0.000 0.868 706 T HN 0.023 8.263 8.240 0.000 0.000 0.444 707 D N 0.228 120.656 120.400 0.046 0.000 2.656 707 D HA 0.286 4.925 4.640 -0.001 0.000 0.303 707 D C -2.189 174.141 176.300 0.050 0.000 1.199 707 D CA -2.223 51.832 54.000 0.093 0.000 0.797 707 D CB 0.984 41.913 40.800 0.215 0.000 1.170 707 D HN -0.020 8.350 8.370 0.000 0.000 0.509 708 P HA -0.142 4.278 4.420 0.000 0.000 0.217 708 P C 1.195 178.505 177.300 0.017 0.000 1.151 708 P CA 1.279 64.368 63.100 -0.018 0.000 0.849 708 P CB 0.277 31.967 31.700 -0.017 0.000 0.787 709 A N -0.936 121.914 122.820 0.050 0.000 2.178 709 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 709 A C 1.747 179.397 177.584 0.111 0.000 1.157 709 A CA 1.459 53.537 52.037 0.068 0.000 0.689 709 A CB -0.847 18.193 19.000 0.067 0.000 0.787 709 A HN 0.178 8.328 8.150 0.000 0.000 0.465 710 N N -0.722 118.077 118.700 0.164 0.000 2.184 710 N HA 0.100 4.839 4.740 -0.001 0.000 0.206 710 N C -0.004 175.725 175.510 0.364 0.000 1.151 710 N CA 0.237 53.468 53.050 0.301 0.000 0.878 710 N CB 0.519 39.285 38.487 0.465 0.000 1.014 710 N HN 0.790 9.170 8.380 0.000 0.000 0.512 711 R N 0.006 120.555 120.500 0.080 0.000 2.584 711 R HA 0.383 4.722 4.340 -0.001 0.000 0.276 711 R C -1.379 174.833 176.300 -0.147 0.000 1.046 711 R CA -0.705 55.333 56.100 -0.103 0.000 0.906 711 R CB 0.739 30.443 30.300 -0.992 0.000 1.215 711 R HN -0.303 7.967 8.270 0.000 0.000 0.449 712 D N 1.253 121.606 120.400 -0.079 0.000 2.554 712 D HA -0.186 4.454 4.640 -0.001 0.000 0.122 712 D C 0.551 176.799 176.300 -0.086 0.000 0.976 712 D CA 0.550 54.512 54.000 -0.063 0.000 0.531 712 D CB 0.607 41.370 40.800 -0.061 0.000 0.941 712 D HN 0.484 8.854 8.370 0.000 0.000 0.391 713 R N 1.103 121.573 120.500 -0.050 0.000 2.112 713 R HA 0.046 4.386 4.340 -0.001 0.000 0.216 713 R C 1.306 177.573 176.300 -0.055 0.000 1.080 713 R CA 0.936 57.008 56.100 -0.047 0.000 0.996 713 R CB 0.068 30.353 30.300 -0.026 0.000 0.902 713 R HN 0.270 8.540 8.270 0.000 0.000 0.449 714 R N -0.057 120.414 120.500 -0.050 0.000 2.334 714 R HA 0.117 4.456 4.340 -0.001 0.000 0.220 714 R C -0.205 176.053 176.300 -0.069 0.000 0.917 714 R CA 0.029 56.099 56.100 -0.049 0.000 1.073 714 R CB -0.151 30.130 30.300 -0.032 0.000 1.056 714 R HN -0.019 8.251 8.270 0.000 0.000 0.506 715 T N 3.994 118.488 114.554 -0.099 0.000 2.596 715 T HA -0.040 4.310 4.350 -0.001 0.000 0.252 715 T C -1.985 172.650 174.700 -0.109 0.000 1.033 715 T CA -0.239 61.783 62.100 -0.129 0.000 1.215 715 T CB -0.022 68.728 68.868 -0.197 0.000 1.011 715 T HN 0.164 8.404 8.240 0.000 0.000 0.498 716 P HA 0.537 4.957 4.420 0.000 0.000 0.285 716 P C -0.584 176.642 177.300 -0.122 0.000 1.269 716 P CA -0.835 62.206 63.100 -0.097 0.000 0.844 716 P CB 1.278 32.927 31.700 -0.085 0.000 1.094 717 I N 1.008 121.525 120.570 -0.088 0.000 2.362 717 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 717 I C 0.055 176.138 176.117 -0.056 0.000 0.994 717 I CA -0.187 61.071 61.300 -0.069 0.000 1.158 717 I CB 1.688 39.673 38.000 -0.025 0.000 1.315 717 I HN 0.169 8.379 8.210 0.000 0.000 0.451 718 T N 5.653 120.167 114.554 -0.067 0.000 2.786 718 T HA 0.380 4.729 4.350 -0.001 0.000 0.283 718 T C -0.179 174.602 174.700 0.136 0.000 0.992 718 T CA -0.447 61.659 62.100 0.010 0.000 0.954 718 T CB 1.638 70.485 68.868 -0.034 0.000 0.934 718 T HN 0.124 8.364 8.240 0.000 0.000 0.440 719 V N 4.895 124.869 119.914 0.100 0.000 2.461 719 V HA 0.537 4.657 4.120 -0.001 0.000 0.275 719 V C 0.401 176.546 176.094 0.085 0.000 1.047 719 V CA -0.505 61.854 62.300 0.097 0.000 0.955 719 V CB 0.949 32.793 31.823 0.036 0.000 0.988 719 V HN 0.771 8.961 8.190 0.000 0.000 0.471 720 V N 2.666 122.617 119.914 0.061 0.000 2.914 720 V HA 0.738 4.858 4.120 -0.001 0.000 0.314 720 V C -0.612 175.345 176.094 -0.229 0.000 1.084 720 V CA -1.061 61.215 62.300 -0.040 0.000 0.963 720 V CB 2.204 33.981 31.823 -0.076 0.000 1.025 720 V HN 0.745 8.935 8.190 0.000 0.000 0.432 721 K N 1.629 121.894 120.400 -0.225 0.000 2.203 721 K HA 0.423 4.742 4.320 -0.001 0.000 0.251 721 K C -0.590 175.738 176.600 -0.454 0.000 0.944 721 K CA -0.689 55.380 56.287 -0.364 0.000 0.829 721 K CB 2.369 34.787 32.500 -0.135 0.000 1.125 721 K HN 0.942 9.192 8.250 0.000 0.000 0.430 722 Q N 0.317 119.594 119.800 -0.872 0.000 2.304 722 Q HA -0.058 4.281 4.340 -0.001 0.000 0.315 722 Q C 0.653 176.454 176.000 -0.331 0.000 1.075 722 Q CA 1.689 57.020 55.803 -0.787 0.000 0.988 722 Q CB -0.003 28.151 28.738 -0.974 0.000 1.146 722 Q HN 0.884 9.154 8.270 0.000 0.000 0.383 723 G N 3.544 112.285 108.800 -0.097 0.000 2.184 723 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.264 723 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.264 723 G C 0.048 174.586 174.900 -0.604 0.000 0.975 723 G CA 0.327 45.317 45.100 -0.183 0.000 0.642 723 G HN 0.659 8.949 8.290 0.000 0.000 0.536 724 F N 1.111 121.105 119.950 0.074 0.000 2.810 724 F HA 0.414 4.940 4.527 -0.001 0.000 0.353 724 F C 0.437 176.245 175.800 0.013 0.000 1.227 724 F CA -0.724 57.297 58.000 0.034 0.000 1.210 724 F CB 0.751 39.732 39.000 -0.032 0.000 1.039 724 F HN 0.008 8.308 8.300 0.000 0.000 0.509 725 E N 3.171 123.451 120.200 0.132 0.000 2.338 725 E HA 0.183 4.532 4.350 -0.001 0.000 0.272 725 E C -2.112 174.501 176.600 0.021 0.000 1.029 725 E CA -1.624 54.784 56.400 0.012 0.000 0.872 725 E CB 0.171 29.860 29.700 -0.019 0.000 1.015 725 E HN 0.033 8.393 8.360 0.000 0.000 0.417 726 P HA 0.147 4.567 4.420 0.000 0.000 0.276 726 P C -2.252 175.070 177.300 0.037 0.000 1.252 726 P CA -1.694 61.450 63.100 0.073 0.000 0.802 726 P CB 0.882 32.671 31.700 0.149 0.000 1.035 727 P HA -0.166 4.254 4.420 0.000 0.000 0.216 727 P C 1.781 179.089 177.300 0.013 0.000 1.150 727 P CA 1.853 64.940 63.100 -0.022 0.000 0.837 727 P CB -0.301 31.388 31.700 -0.019 0.000 0.786 728 S N -1.928 113.839 115.700 0.111 0.000 2.442 728 S HA -0.180 4.290 4.470 -0.001 0.000 0.236 728 S C 1.807 176.533 174.600 0.211 0.000 1.007 728 S CA 0.781 59.110 58.200 0.216 0.000 0.965 728 S CB -1.528 61.906 63.200 0.390 0.000 0.773 728 S HN 0.123 8.433 8.310 0.000 0.000 0.504 729 F N 2.165 122.016 119.950 -0.166 0.000 2.188 729 F HA 0.176 4.702 4.527 -0.001 0.000 0.289 729 F C 2.167 177.923 175.800 -0.075 0.000 1.082 729 F CA 0.715 58.472 58.000 -0.405 0.000 1.282 729 F CB -0.281 38.327 39.000 -0.652 0.000 1.060 729 F HN 0.027 8.327 8.300 0.000 0.000 0.493 730 V N 0.859 120.726 119.914 -0.079 0.000 2.392 730 V HA -0.251 3.868 4.120 -0.001 0.000 0.249 730 V C 2.728 178.755 176.094 -0.111 0.000 1.059 730 V CA 1.880 63.955 62.300 -0.374 0.000 1.051 730 V CB -1.810 29.558 31.823 -0.760 0.000 0.658 730 V HN 0.583 8.773 8.190 0.000 0.000 0.455 731 G N -1.451 107.252 108.800 -0.161 0.000 2.501 731 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.220 731 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.220 731 G C 1.132 175.798 174.900 -0.390 0.000 1.114 731 G CA 0.265 45.216 45.100 -0.249 0.000 0.757 731 G HN 0.679 8.969 8.290 0.000 0.000 0.559 732 W N -0.631 120.619 121.300 -0.083 0.000 3.180 732 W HA 0.447 5.106 4.660 -0.001 0.000 0.254 732 W C -0.085 176.157 176.519 -0.462 0.000 1.318 732 W CA -1.087 56.093 57.345 -0.275 0.000 1.608 732 W CB 0.105 29.299 29.460 -0.444 0.000 1.124 732 W HN -0.106 8.074 8.180 0.000 0.000 0.694 733 F N 0.450 120.419 119.950 0.031 0.000 2.470 733 F HA 0.328 4.855 4.527 -0.001 0.000 0.329 733 F C 0.134 175.978 175.800 0.073 0.000 1.072 733 F CA -1.514 56.533 58.000 0.078 0.000 0.989 733 F CB 0.674 39.796 39.000 0.203 0.000 1.193 733 F HN -0.470 7.830 8.300 0.000 0.000 0.481 734 L N 3.149 124.482 121.223 0.183 0.000 2.356 734 L HA 0.615 4.954 4.340 -0.001 0.000 0.282 734 L C 0.137 177.082 176.870 0.126 0.000 1.132 734 L CA 0.039 54.941 54.840 0.103 0.000 0.923 734 L CB -0.778 41.305 42.059 0.040 0.000 1.278 734 L HN 0.729 8.959 8.230 0.000 0.000 0.436 735 G N 3.282 112.180 108.800 0.163 0.000 2.777 735 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.686 735 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.686 735 G C -1.470 173.573 174.900 0.239 0.000 1.177 735 G CA -0.204 44.989 45.100 0.154 0.000 0.775 735 G HN 0.876 9.166 8.290 0.000 0.000 0.613 736 W N 3.223 124.506 121.300 -0.028 0.000 3.439 736 W HA 0.515 5.174 4.660 -0.001 0.000 0.323 736 W C -1.866 174.602 176.519 -0.085 0.000 1.174 736 W CA -0.689 56.598 57.345 -0.097 0.000 1.224 736 W CB 2.237 31.663 29.460 -0.058 0.000 1.348 736 W HN 0.745 8.925 8.180 0.000 0.000 0.498 737 D N 3.077 123.242 120.400 -0.391 0.000 2.381 737 D HA 0.210 4.849 4.640 -0.001 0.000 0.235 737 D C 0.546 176.718 176.300 -0.213 0.000 1.068 737 D CA -0.058 53.831 54.000 -0.184 0.000 0.832 737 D CB 1.468 42.175 40.800 -0.155 0.000 1.101 737 D HN 0.287 8.657 8.370 0.000 0.000 0.515 738 D N 1.534 121.970 120.400 0.059 0.000 2.221 738 D HA -0.111 4.529 4.640 -0.001 0.000 0.204 738 D C 0.321 176.643 176.300 0.037 0.000 0.982 738 D CA 1.091 55.167 54.000 0.128 0.000 0.857 738 D CB 0.299 41.188 40.800 0.149 0.000 0.934 738 D HN 0.476 8.846 8.370 0.000 0.000 0.475 739 D N -0.864 119.523 120.400 -0.023 0.000 2.427 739 D HA -0.029 4.610 4.640 -0.001 0.000 0.224 739 D C 0.942 177.173 176.300 -0.114 0.000 1.157 739 D CA -0.189 53.792 54.000 -0.032 0.000 0.828 739 D CB -0.001 40.781 40.800 -0.030 0.000 0.974 739 D HN 0.305 8.675 8.370 0.000 0.000 0.498 740 Y N 0.576 120.647 120.300 -0.382 0.000 2.207 740 Y HA -0.166 4.383 4.550 -0.001 0.000 0.287 740 Y C 0.766 176.372 175.900 -0.490 0.000 1.156 740 Y CA 1.189 58.934 58.100 -0.591 0.000 1.182 740 Y CB 0.238 38.036 38.460 -1.104 0.000 0.979 740 Y HN -0.049 8.231 8.280 0.000 0.000 0.521 741 W N 0.000 121.284 121.300 -0.026 0.000 2.388 741 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 741 W CA 0.000 57.315 57.345 -0.049 0.000 1.226 741 W CB 0.000 29.502 29.460 0.071 0.000 1.126 741 W HN 0.000 8.180 8.180 0.000 0.000 0.535