NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4999 8.1593 117.3248 62.6299 70.0207 173.4648 502 P 4.2853 0.0000 0.0000 62.1549 32.6163 174.1805 503 D 4.5170 8.8612 121.8900 55.2843 41.5502 176.5230 504 C 4.8198 9.0757 120.6480 57.7239 46.3784 174.0884 505 V 4.7158 7.3185 110.2958 60.0220 36.1251 173.7364 506 T 4.9918 9.0553 118.7187 60.8569 72.2415 174.0840 507 G 3.9356 7.7691 111.1348 46.3710 0.0000 171.5181 508 K 4.9208 8.1375 118.7766 54.8377 33.4759 177.6069 509 V 3.8833 8.1760 122.2939 62.6314 31.7105 175.7862 510 E 4.3313 8.9681 128.6142 59.3787 29.8308 176.7887 511 Y 5.0054 7.1117 114.9862 56.3700 41.0936 173.1415 512 T 5.0914 8.6343 109.6079 59.9007 72.4562 173.0358 513 K 4.4996 8.3015 123.3699 54.9869 35.8665 174.1817 514 Y 4.6416 8.7059 128.8714 57.0279 39.6916 174.5480 515 N 4.7677 8.3215 124.2488 51.8440 40.4199 175.9736 516 D 4.3882 8.7830 120.1024 56.9758 41.4522 176.5638 517 D 4.7484 7.9290 116.6182 52.9924 39.5585 176.2382 518 D 4.0368 7.9010 116.8479 55.6044 38.9952 173.9400 519 T 4.5845 7.3036 109.7610 60.8476 71.3928 173.1696 520 F 5.2658 9.1593 123.6941 56.8129 42.4734 173.4709 521 T 5.3512 8.6284 123.3189 61.9877 70.8187 174.0485 522 V 4.7310 9.3031 124.7276 59.6665 35.3231 174.4418 523 K 4.5828 8.2616 124.1818 54.7100 34.3333 174.7613 524 V 4.3315 7.8830 127.4960 61.4875 34.6174 175.3872 525 G 3.9215 9.1916 118.2449 46.9719 0.0000 173.8731 526 D 4.8586 9.1527 121.5087 52.3593 40.4737 175.3513 527 K 4.7495 7.8378 119.7720 54.8318 35.1810 174.8059 528 E 4.8240 9.2410 125.2547 54.6974 31.5222 174.6448 529 L 5.5601 8.9048 126.8089 52.9296 46.1716 175.5398 530 F 5.7248 9.0977 114.4335 55.7166 41.8402 173.4656 531 T 4.5486 9.1398 114.3843 60.2413 70.5775 173.8692 532 N 4.9201 8.6441 122.8217 52.7025 38.3602 175.0986 533 R 4.2466 7.7729 120.0244 55.4088 30.1605 177.2814 534 W 4.3754 8.9398 124.6570 59.8466 29.3664 178.1612 535 N 4.4444 8.3572 116.0406 56.2166 37.9569 176.8762 536 L 4.0709 7.9453 119.2690 56.9136 41.6949 178.9420 537 Q 2.8248 7.7592 118.7798 58.8624 28.5814 179.0639 538 S 4.1187 7.7585 114.4379 61.2385 63.1699 176.3307 539 L 3.8390 7.2849 120.8659 57.7308 41.4170 179.4751 540 L 4.3665 8.4933 119.3934 57.7034 41.4823 179.3575 541 L 4.1812 8.1250 120.5485 58.1898 42.0573 179.1515 542 S 4.1129 8.3782 115.0961 61.5611 62.7850 176.5175 543 A 4.1049 8.2091 123.4866 55.0552 17.9951 179.4844 544 Q 3.9497 8.2416 118.0257 59.5594 29.0134 178.5627 545 I 3.7747 7.8712 119.8368 64.2873 37.2893 177.7925 546 T 4.3330 8.0129 107.6890 61.1454 69.2900 174.7356 547 G 3.8338 7.8307 109.8230 47.0590 0.0000 174.0537 548 M 4.4041 8.0504 118.3186 55.2543 33.9072 175.8204 549 T 4.8820 8.0752 117.5665 62.5266 70.4220 174.4952 550 V 4.8299 8.6851 119.9521 59.7572 35.2293 174.9403 551 T 4.8683 8.3595 119.8185 61.9444 71.3270 173.0476 552 I 4.4866 8.3173 128.0968 59.7430 38.9970 174.8605 553 K 4.8458 8.0799 127.0724 55.1090 33.5552 175.8254 554 T 4.3282 7.9893 116.4219 61.6650 70.2559 173.1809 555 N 4.4194 9.1112 124.2287 55.4263 39.6925 175.8328 556 A 4.4572 7.5838 123.6804 51.3134 17.9203 177.8326 557 C 4.7468 7.5807 123.1837 54.3156 42.9334 171.5039 558 H 4.7775 7.4194 117.5674 53.7094 30.8795 173.8885 559 N 4.6834 8.7156 118.2018 55.2204 38.6368 175.8313 560 G 4.0607 9.5332 111.1108 45.4837 0.0000 173.6926 561 G 4.1248 8.2591 107.5810 45.3615 0.0000 173.1946 562 T 5.2092 8.2697 110.1826 59.3972 71.1805 173.3353 563 F 5.0312 7.7756 116.0899 56.4024 40.7385 174.6975 564 S 4.3862 8.6385 109.5290 58.7180 65.6157 173.3764 565 E 4.8137 8.3737 121.6010 54.8205 32.3149 174.9866 566 V 4.7214 8.3878 123.3266 61.2243 35.1794 173.9597 567 I 4.3881 8.4860 128.2834 59.6153 39.4703 174.4789 568 F 4.9266 8.9141 126.0576 56.1085 40.0137 176.1175 569 R 4.3320 8.7533 122.7078 56.2165 30.2378 176.6713 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 T 8.16 4.50 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 1.22 0.00 0.00 502 P 0.00 4.29 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 503 D 8.86 4.52 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 C 9.08 4.82 0.00 2.88 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 0.00 505 V 7.32 4.72 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.77 0.00 0.00 506 T 9.06 4.99 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 507 G 7.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 K 8.14 4.92 0.00 1.65 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.27 7.81 509 V 8.18 3.88 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 0.80 0.00 0.00 0.96 0.00 0.00 510 E 8.97 4.33 0.00 1.86 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 2.33 2.20 0.00 511 Y 7.11 5.01 0.00 2.92 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 0.00 512 T 8.63 5.09 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 513 K 8.30 4.50 0.00 1.82 1.58 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 514 Y 8.71 4.64 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.77 0.00 2.69 2.57 0.00 0.00 6.21 7.70 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 0.00 516 D 8.78 4.39 0.00 2.64 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 0.00 517 D 7.93 4.75 0.00 2.84 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 0.00 518 D 7.90 4.04 0.00 3.16 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 0.00 519 T 7.30 4.58 4.64 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 1.40 0.00 0.00 520 F 9.16 5.27 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 5.35 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 1.28 0.00 0.00 522 V 9.30 4.73 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.90 0.00 0.00 523 K 8.26 4.58 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.91 1.10 7.81 524 V 7.88 4.33 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.78 0.00 0.00 525 G 9.19 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 526 D 9.15 4.86 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.75 0.00 1.63 1.68 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.44 7.81 528 E 9.24 4.82 0.00 2.05 1.85 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 2.26 2.26 0.00 529 L 8.90 5.56 0.00 1.54 1.78 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.10 5.72 0.00 3.28 3.12 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 0.00 531 T 9.14 4.55 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 1.13 0.00 0.00 532 N 8.64 4.92 0.00 2.94 3.01 0.00 0.00 6.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 R 7.77 4.25 0.00 1.89 1.94 0.00 3.26 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 534 W 8.94 4.38 0.00 3.34 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 0.00 535 N 8.36 4.44 0.00 2.78 2.91 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 L 7.95 4.07 0.00 1.93 1.83 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.76 2.82 0.00 1.94 1.54 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 1.67 2.25 0.00 538 S 7.76 4.12 0.00 4.00 4.06 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 0.00 0.00 0.00 539 L 7.28 3.84 0.00 1.99 1.45 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.49 4.37 0.00 1.99 2.07 1.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.12 4.18 0.00 1.95 1.72 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.38 4.11 0.00 4.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.10 1.64 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 0.00 0.00 544 Q 8.24 3.95 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 545 I 7.87 3.77 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.93 0.00 0.00 546 T 8.01 4.33 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 547 G 7.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 M 8.05 4.40 0.00 2.12 2.12 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 2.68 2.58 0.00 549 T 8.08 4.88 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 550 V 8.69 4.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.84 0.00 0.00 551 T 8.36 4.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 552 I 8.32 4.49 1.56 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.35 0.35 0.00 0.00 553 K 8.08 4.85 0.00 1.63 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.30 7.81 554 T 7.99 4.33 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 555 N 9.11 4.42 0.00 2.73 2.86 0.00 0.00 6.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 A 7.58 4.46 1.22 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 0.00 0.00 557 C 7.58 4.75 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 0.00 558 H 7.42 4.78 0.00 3.37 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.72 4.68 0.00 2.79 2.87 0.00 0.00 7.01 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 G 9.53 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 561 G 8.26 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 0.00 0.00 0.00 562 T 8.27 5.21 3.76 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 0.47 0.00 0.00 563 F 7.78 5.03 0.00 2.96 2.92 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 0.00 0.00 0.00 564 S 8.64 4.39 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.81 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 566 V 8.39 4.72 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 0.12 0.00 0.00 1.12 0.00 0.00 567 I 8.49 4.39 1.78 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 1.21 0.65 0.91 0.00 0.00 568 F 8.91 4.93 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 0.00 569 R 8.75 4.33 0.00 1.91 1.83 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00