NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.3493 8.3645 123.5821 51.8789 20.4638 176.4792 502 P 4.7150 0.0000 0.0000 62.0395 30.4270 167.0344 503 V 4.4646 8.2837 112.7626 61.1359 34.4544 174.5962 504 I 4.5619 8.1906 117.7045 58.7984 40.5037 174.0720 505 N 4.8298 8.3421 120.3225 51.9333 40.3048 175.9129 506 I 3.7425 8.3957 126.5363 64.3814 37.5208 177.8546 507 E 3.9450 8.1123 120.2697 59.1719 29.4234 177.2003 508 D 4.5957 7.9937 115.6771 54.7862 41.1441 175.7835 509 L 4.7314 7.9113 120.8581 53.5113 43.2332 176.8999 510 T 4.3998 8.6700 117.8832 60.2021 70.3939 174.8102 511 E 3.8354 8.6210 122.2507 59.5478 29.3222 178.3106 512 K 3.8248 8.0872 118.5667 59.7493 32.1664 177.8498 513 D 4.3887 8.1624 118.3277 57.5438 40.7905 178.9604 514 K 3.9090 7.9856 118.3506 59.6057 32.1024 179.1729 515 L 3.9849 7.8897 119.0733 58.1370 41.5881 179.9975 516 K 3.9921 8.2449 118.1118 59.6403 31.8649 179.4380 517 M 4.0613 8.0250 119.1047 58.1407 31.8444 178.1869 518 E 3.8910 8.6975 119.8565 59.5381 29.7210 179.1841 519 V 3.6333 7.9635 118.1292 66.1475 31.0789 177.7325 520 D 4.3299 8.2401 118.6281 57.0061 40.5768 178.4623 521 Q 3.8387 8.3735 120.6194 58.9000 29.1889 177.8777 522 L 4.0105 8.3428 120.5219 57.8016 41.4204 179.6935 523 K 4.0559 8.1882 117.7386 58.9997 32.0861 179.1271 524 K 4.1951 7.4996 118.5822 59.1304 32.2389 179.1562 525 E 4.0491 8.2368 119.1433 59.1030 29.1195 179.6448 526 V 3.7029 7.6143 118.6897 64.3950 31.3714 177.5158 527 T 4.2973 7.3459 107.9666 60.7799 69.3930 174.8817 528 L 3.9841 7.3658 122.7914 55.0780 42.0647 177.1046 529 E 4.2421 8.4612 124.3412 54.9756 28.3788 174.8788 530 R 4.1544 8.1273 124.2747 55.4493 30.9598 176.6877 531 M 4.3174 8.3637 122.5643 54.6579 33.4315 176.1485 532 L 4.1740 8.2324 123.9292 54.6360 43.4580 179.0656 533 V 3.7119 8.4738 116.7616 64.0639 31.3986 179.0193 534 S 4.0791 7.9846 113.9762 61.3481 62.8702 176.1166 535 K 3.8639 8.0598 123.5285 59.2409 31.8515 178.2111 536 C 4.1657 7.9185 116.2916 63.0969 28.0492 175.9414 537 C 4.1815 8.3863 118.6420 62.7112 27.5989 175.9824 538 E 3.9710 8.4824 120.4516 59.6860 29.1845 179.1579 539 E 4.0334 8.4454 118.6030 59.4268 29.5059 179.3885 540 F 4.0133 8.5901 120.7068 61.2336 39.5727 176.7761 541 R 3.9745 8.6816 118.7351 59.9297 29.8453 177.9047 542 D 4.3832 8.4785 118.6167 57.5547 40.6056 178.3349 543 Y 3.8177 7.6871 118.5857 60.6807 39.0905 178.0022 544 V 3.6342 7.7483 119.0812 66.0662 31.6693 177.7734 545 E 3.9458 8.5763 118.7131 59.2891 29.0782 178.3741 546 E 4.2036 7.8281 115.5347 57.1842 29.8861 177.4342 547 R 4.4784 7.4247 116.3252 56.0074 33.0678 177.5062 548 S 4.1719 8.3115 112.9202 60.8702 62.9454 176.8703 549 G 3.6262 8.0926 109.1376 47.7475 0.0000 173.8803 550 E 4.4721 7.9268 117.3586 55.9154 30.0017 175.6829 551 D 4.5433 7.8830 120.3912 52.9139 41.8699 174.7234 552 P 4.2467 0.0000 0.0000 66.0542 31.2511 178.6449 553 L 4.0667 7.7685 115.5448 57.4507 41.4897 179.1751 554 V 3.8564 7.6842 117.7734 65.4389 31.8708 177.7817 555 K 4.1119 8.3645 119.2832 57.5547 32.9681 177.8754 556 G 3.9889 7.5985 106.3153 45.0051 0.0000 172.4712 557 I 4.3910 7.8621 120.6888 57.6965 39.7955 173.7200 558 P 4.3606 0.0000 0.0000 62.7309 32.1737 176.7118 559 E 4.5142 8.6265 120.9009 54.4282 27.4999 174.9176 560 D 4.4912 7.1970 122.5972 54.0031 42.8084 177.7747 561 K 4.3584 8.3515 117.4880 55.8588 33.1709 175.5095 562 N 4.6138 7.9341 118.7131 52.4042 39.0419 173.1039 563 P 4.2031 0.0000 0.0000 64.5033 32.2340 177.1158 564 F 4.7414 8.2987 118.9513 55.8993 37.8361 175.6860 565 K 4.1963 7.4732 124.7276 56.5981 32.3541 175.4365 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 A 8.36 4.35 1.27 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 0.00 0.00 0.00 502 P 0.00 4.71 0.00 2.17 1.68 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 503 V 8.28 4.46 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 504 I 8.19 4.56 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.91 0.00 0.00 505 N 8.34 4.83 0.00 2.73 2.91 0.00 0.00 7.05 7.41 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 I 8.40 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.91 0.00 0.00 507 E 8.11 3.95 0.00 1.91 2.19 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 2.32 2.29 0.00 508 D 7.99 4.60 0.00 2.85 2.69 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 L 7.91 4.73 0.00 1.68 1.58 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 510 T 8.67 4.40 4.24 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 1.31 0.00 0.00 511 E 8.62 3.84 0.00 2.03 1.95 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 2.38 2.34 0.00 512 K 8.09 3.82 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 513 D 8.16 4.39 0.00 3.06 2.72 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 K 7.99 3.91 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.63 7.81 515 L 7.89 3.98 0.00 1.84 1.74 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 516 K 8.24 3.99 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 517 M 8.02 4.06 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 518 E 8.70 3.89 0.00 1.97 2.12 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 2.31 2.33 0.00 519 V 7.96 3.63 2.08 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 1.06 0.00 0.00 0.95 0.00 0.00 520 D 8.24 4.33 0.00 2.92 2.70 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 0.00 521 Q 8.37 3.84 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 522 L 8.34 4.01 0.00 2.03 1.70 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 523 K 8.19 4.06 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.77 7.81 524 K 7.50 4.20 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 525 E 8.24 4.05 0.00 2.03 1.99 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 2.32 2.41 0.00 526 V 7.61 3.70 2.21 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 0.83 0.00 0.00 0.93 0.00 0.00 527 T 7.35 4.30 4.24 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 1.25 0.00 0.00 528 L 7.37 3.98 0.00 1.75 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 529 E 8.46 4.24 0.00 1.90 1.89 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 2.26 2.38 0.00 530 R 8.13 4.15 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 531 M 8.36 4.32 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 532 L 8.23 4.17 0.00 1.73 1.57 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.47 3.71 2.05 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 0.86 0.00 0.00 0.91 0.00 0.00 534 S 7.98 4.08 0.00 4.05 4.12 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 0.00 535 K 8.06 3.86 0.00 1.86 1.93 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.50 7.81 536 C 7.92 4.17 0.00 3.16 2.96 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 0.00 537 C 8.39 4.18 0.00 3.19 3.01 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 0.00 538 E 8.48 3.97 0.00 2.23 2.03 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 2.36 2.52 0.00 539 E 8.45 4.03 0.00 2.22 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 0.00 2.37 2.60 0.00 540 F 8.59 4.01 0.00 3.27 3.27 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 0.00 541 R 8.68 3.97 0.00 2.09 2.22 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 542 D 8.48 4.38 0.00 2.88 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 0.00 543 Y 7.69 3.82 0.00 3.02 2.99 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 0.00 544 V 7.75 3.63 2.09 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 1.01 0.00 0.00 0.52 0.00 0.00 545 E 8.58 3.95 0.00 2.17 1.96 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 2.47 2.50 0.00 546 E 7.83 4.20 0.00 1.75 1.86 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 2.28 2.51 0.00 547 R 7.42 4.48 0.00 1.71 1.73 0.00 2.30 0.00 0.00 2.74 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.00 548 S 8.31 4.17 0.00 3.98 4.11 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 0.00 549 G 8.09 3.63 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 0.00 550 E 7.93 4.47 0.00 1.93 1.92 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 2.21 2.32 0.00 551 D 7.88 4.54 0.00 2.72 2.64 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 0.00 552 P 0.00 4.25 0.00 2.21 2.13 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 553 L 7.77 4.07 0.00 1.72 1.73 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 554 V 7.68 3.86 2.19 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 0.89 0.00 0.00 0.98 0.00 0.00 555 K 8.36 4.11 0.00 1.93 1.92 0.00 1.61 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.45 7.81 556 G 7.60 3.99 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 0.00 557 I 7.86 4.39 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.95 0.00 0.00 558 P 0.00 4.36 0.00 2.58 2.17 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 559 E 8.63 4.51 0.00 2.11 2.06 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 2.28 2.25 0.00 560 D 7.20 4.49 0.00 2.74 2.76 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 0.00 561 K 8.35 4.36 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.48 7.81 562 N 7.93 4.61 0.00 2.71 2.78 0.00 0.00 7.09 7.69 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 0.00 563 P 0.00 4.20 0.00 1.27 1.77 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 564 F 8.30 4.74 0.00 3.10 3.01 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 0.00 565 K 7.47 4.20 0.00 1.74 1.69 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81