NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 C 4.8038 8.4549 115.5896 55.3526 41.8877 172.5700 502 I 4.0983 8.3430 120.9687 57.3666 37.7606 174.0639 503 P 4.6558 0.0000 0.0000 61.7122 32.9804 175.2039 504 K 3.4699 8.1776 119.8954 58.0346 32.0572 177.1687 505 W 4.0220 8.5099 124.1544 57.0281 28.4056 174.3203 506 N 4.8144 7.5925 115.6748 51.9178 39.9858 174.5346 507 R 4.4287 8.3878 121.5237 57.0095 30.6598 174.4969 508 C 4.8324 8.8934 119.9178 53.8443 46.3836 172.9787 509 G 4.1907 8.0958 101.6659 45.4264 0.0000 171.8422 510 P 4.2609 0.0000 0.0000 66.0171 32.0274 178.9576 511 K 3.9786 7.8409 117.6761 58.9151 32.4353 177.9203 512 M 4.3258 8.2185 118.6335 57.6135 32.0926 176.7814 513 D 4.7402 7.7537 112.8626 51.9498 40.6654 176.5684 514 G 3.8409 8.5069 108.2482 45.7259 0.0000 173.9322 515 V 3.7412 7.8221 120.7379 61.8533 31.9156 173.8389 516 P 4.7772 0.0000 0.0000 61.8594 33.5629 175.8669 517 C 4.9141 8.5164 117.7740 56.8774 37.6316 174.5062 518 C 4.6676 9.0834 119.9475 56.6232 41.0047 173.6314 519 E 4.2371 8.7864 121.8804 56.4652 29.5789 174.8426 520 P 4.5622 0.0000 0.0000 62.9004 31.8164 175.3941 521 Y 4.5092 7.0489 116.3089 58.2596 39.0872 174.6566 522 T 4.7853 7.9734 110.6264 59.8694 72.8349 173.1228 523 C 5.0489 8.5481 122.5187 56.4184 44.5262 174.2352 524 T 3.7560 8.6045 116.1192 63.8398 68.8249 173.8896 525 S 4.7234 7.5118 115.6347 57.1617 65.7491 173.4910 526 D 4.4073 8.7010 121.9149 55.4742 41.4546 177.9129 527 Y 4.4234 7.7839 115.2888 59.2259 39.9523 174.8114 528 Y 4.9012 8.2593 122.4781 57.1499 40.3970 173.0696 529 G 4.2092 8.8893 118.3230 45.4233 0.0000 169.4597 530 N 5.6065 8.9043 117.3224 51.1369 41.5565 173.4278 531 C 5.0376 8.6202 118.3481 56.5365 41.3450 174.1297 532 S 3.4323 8.4111 118.6246 58.4570 62.1658 174.2739 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 501 C 8.45 4.80 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 502 I 8.34 4.10 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.96 0.00 0.00 503 P 0.00 4.66 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 504 K 8.18 3.47 0.00 0.79 1.30 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 505 W 8.51 4.02 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 N 7.59 4.81 0.00 2.83 2.72 0.00 0.00 6.50 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 R 8.39 4.43 0.00 1.66 1.75 0.00 2.21 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 508 C 8.89 4.83 0.00 2.93 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 G 8.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 P 0.00 4.26 0.00 2.11 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 511 K 7.84 3.98 0.00 1.44 1.61 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.36 7.81 512 M 8.22 4.33 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.80 0.00 513 D 7.75 4.74 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 G 8.51 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 V 7.82 3.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 516 P 0.00 4.78 0.00 2.13 2.13 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 517 C 8.52 4.91 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 C 9.08 4.67 0.00 2.91 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 E 8.79 4.24 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 520 P 0.00 4.56 0.00 1.87 1.87 0.00 2.77 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.56 0.00 521 Y 7.05 4.51 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 T 7.97 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 523 C 8.55 5.05 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 T 8.60 3.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 525 S 7.51 4.72 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 D 8.70 4.41 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 Y 7.78 4.42 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 Y 8.26 4.90 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 G 8.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 N 8.90 5.61 0.00 3.00 2.91 0.00 0.00 7.42 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 C 8.62 5.04 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 S 8.41 3.43 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00