NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.5059 8.1593 117.3260 62.7589 70.1182 173.4464 502 P 4.3439 0.0000 0.0000 61.9903 32.8637 174.0350 503 D 4.5641 8.8398 121.7044 55.2938 41.4692 176.8993 504 C 4.8749 9.2282 122.4727 57.6490 44.1953 174.1795 505 V 4.6921 7.3234 116.7797 60.3881 34.6324 173.4399 506 T 4.9871 9.3527 118.2702 60.9501 72.3729 174.2316 507 G 3.9033 7.7488 112.2169 45.2510 0.0000 171.4552 508 K 4.6408 7.8275 118.5659 55.1944 33.0639 177.1460 509 V 3.8306 8.1103 122.0381 62.9971 31.9747 175.7476 510 E 4.3389 8.9729 128.3798 59.2926 29.8832 176.4845 511 Y 5.2730 7.3506 115.0459 56.8154 41.3854 173.1129 512 T 5.0701 8.5510 109.2997 59.9918 72.4455 173.0437 513 K 4.5483 8.2261 122.9875 55.1763 36.0627 174.0105 514 Y 4.7912 8.7309 128.4242 56.6922 40.0416 174.4619 515 N 4.9659 8.3321 123.7417 51.3466 40.7832 175.6370 516 D 4.4430 8.6921 119.7157 57.1071 41.3879 176.6432 517 D 4.6908 8.0077 116.6418 53.0455 39.4876 176.6287 518 D 4.1774 8.1249 117.2949 55.1874 39.1658 174.0271 519 T 4.3955 7.5500 110.8078 60.9536 71.2324 173.2961 520 F 5.1235 8.9172 123.1282 56.9040 42.6261 173.2254 521 T 5.1014 8.6077 123.2118 62.0804 70.8343 173.8825 522 V 4.6078 8.9406 124.9656 60.8822 35.3458 173.9640 523 K 4.6129 8.1791 128.6839 54.6577 33.9820 174.9147 524 V 4.3380 7.8781 127.1669 61.0694 34.5787 175.0076 525 G 3.7013 8.8261 115.7091 47.3556 0.0000 173.7332 526 D 4.8393 8.7144 124.3485 52.6054 39.9428 176.0291 527 K 4.8696 7.7629 118.1105 55.1432 36.5068 174.8457 528 E 4.9361 9.1147 123.2275 54.9799 31.3863 175.2129 529 L 5.3534 8.9712 123.6516 52.8687 46.3071 175.3873 530 A 5.4180 9.2519 122.3685 50.5497 22.7627 175.0146 531 T 4.5579 8.8776 115.1167 59.9622 70.7251 173.9717 532 N 4.6999 8.5465 123.2819 52.5735 38.1030 174.9677 533 R 4.2066 7.5965 119.4801 55.0916 30.0531 176.9199 534 A 3.9796 8.5546 126.5140 55.2797 18.3586 178.7010 535 N 4.3227 8.1120 114.3298 56.1845 38.5428 176.8489 536 L 4.1735 7.7871 118.9433 56.3242 41.8105 179.1305 537 Q 2.9291 7.7624 119.3192 58.7267 28.6679 178.8160 538 S 4.1187 7.7825 114.6467 61.2711 63.1529 176.2192 539 L 3.8573 7.3027 120.1325 57.6219 41.3567 179.5167 540 L 4.3521 8.3646 119.2664 57.7500 41.5395 179.2739 541 L 4.1516 8.1941 120.3915 58.2489 42.0354 179.2167 542 S 4.1099 8.2963 114.9367 61.6178 62.8026 176.5524 543 A 4.1184 8.1523 123.4496 55.0835 18.1421 179.5364 544 Q 3.9485 8.3060 118.1566 59.4721 28.9867 178.5027 545 I 3.8792 7.8753 120.0218 64.3190 37.3049 177.8144 546 T 4.3336 7.9386 107.6211 61.3251 69.1354 175.0641 547 G 3.8686 7.6875 109.7910 46.8725 0.0000 173.9676 548 M 4.4027 7.9134 118.3118 55.2166 33.0931 176.1381 549 T 4.5617 8.4123 117.7751 62.8764 70.2967 174.5421 550 V 4.8091 8.8650 119.4127 59.7323 35.7700 174.6302 551 T 4.8724 8.4774 119.7530 61.8400 71.5867 172.9875 552 I 4.5923 8.5649 127.6898 59.4913 39.3290 174.6290 553 K 4.9088 8.2298 127.1556 55.1650 33.4667 175.9434 554 T 4.4434 8.0859 116.4860 61.6764 70.3405 173.1372 555 N 4.4834 9.1528 123.7772 54.6125 39.9458 175.8623 556 A 4.5077 7.9742 124.6441 50.9478 17.8108 176.9823 557 C 4.4129 7.5304 123.8318 53.8895 43.2911 171.6926 558 H 4.9065 7.3657 117.6487 53.3956 31.2316 173.6993 559 N 4.5022 8.6510 118.2156 55.3230 38.5420 175.8501 560 G 3.9963 9.4616 112.2455 44.9080 0.0000 173.8686 561 G 3.9390 7.6163 107.7713 45.7467 0.0000 173.6712 562 G 5.0517 8.5560 109.2952 46.4550 0.0000 172.6043 563 F 5.2629 8.0202 114.7518 55.8299 40.4160 174.0863 564 S 4.4091 8.7969 110.8868 57.4467 64.8121 173.5718 565 E 4.7594 8.2679 121.2907 54.9954 31.2608 175.5146 566 V 4.8235 8.2589 116.4615 59.9459 36.0361 174.0691 567 I 4.3817 8.7163 126.1161 59.5948 39.4550 174.4835 568 F 4.9692 8.8838 125.4768 55.8197 41.0324 175.9251 569 R 4.3485 8.9628 122.5601 56.2894 30.7917 175.5998 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 4.51 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 1.25 0.00 0.00 502 P 0.00 4.34 0.00 2.18 2.16 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 503 D 8.84 4.56 0.00 2.55 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 9.23 4.87 0.00 2.86 3.15 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 0.00 505 V 7.32 4.69 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 0.90 0.00 0.00 506 T 9.35 4.99 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 1.22 0.00 0.00 507 G 7.75 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 K 7.83 4.64 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 509 V 8.11 3.83 2.11 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 0.82 0.00 0.00 0.95 0.00 0.00 510 E 8.97 4.34 0.00 1.64 2.01 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 2.31 2.16 0.00 511 Y 7.35 5.27 0.00 2.99 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 0.00 512 T 8.55 5.07 3.73 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 1.33 0.00 0.00 513 K 8.23 4.55 0.00 1.82 1.58 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 514 Y 8.73 4.79 0.00 3.26 2.94 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 0.00 515 N 8.33 4.97 0.00 2.89 2.67 0.00 0.00 6.31 7.64 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 0.00 516 D 8.69 4.44 0.00 2.65 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 0.00 517 D 8.01 4.69 0.00 2.79 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 8.12 4.18 0.00 2.87 2.87 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 0.00 519 T 7.55 4.40 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 520 F 8.92 5.12 0.00 2.96 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 0.00 521 T 8.61 5.10 4.17 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 1.27 0.00 0.00 522 V 8.94 4.61 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 523 K 8.18 4.61 0.00 0.82 0.74 0.00 1.48 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.09 1.11 7.81 524 V 7.88 4.34 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 0.78 0.00 0.00 0.77 0.00 0.00 525 G 8.83 3.70 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 0.00 0.00 0.00 526 D 8.71 4.84 0.00 2.77 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 0.00 527 K 7.76 4.87 0.00 1.61 1.62 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 528 E 9.11 4.94 0.00 1.94 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 2.23 2.29 0.00 529 L 8.97 5.35 0.00 1.37 1.73 0.67 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 530 A 9.25 5.42 1.21 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 0.00 531 T 8.88 4.56 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 1.15 0.00 0.00 532 N 8.55 4.70 0.00 2.80 2.81 0.00 0.00 6.08 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 7.60 4.21 0.00 1.81 1.88 0.00 3.26 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 534 A 8.55 3.98 1.30 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 0.00 0.00 0.00 535 N 8.11 4.32 0.00 2.73 2.87 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 7.79 4.17 0.00 1.87 1.80 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.76 2.93 0.00 1.91 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.52 2.13 0.00 538 S 7.78 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 7.30 3.86 0.00 1.96 1.37 0.87 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 8.36 4.35 0.00 2.15 2.06 1.39 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.19 4.15 0.00 1.93 1.73 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.30 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 8.15 4.12 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 8.31 3.95 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 545 I 7.88 3.88 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 0.93 0.00 0.00 546 T 7.94 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 1.22 0.00 0.00 547 G 7.69 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 0.00 0.00 0.00 548 M 7.91 4.40 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 549 T 8.41 4.56 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 1.18 0.00 0.00 550 V 8.86 4.81 1.75 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 0.69 0.00 0.00 0.84 0.00 0.00 551 T 8.48 4.87 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 552 I 8.56 4.59 1.52 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.37 0.25 0.00 0.00 553 K 8.23 4.91 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.31 7.81 554 T 8.09 4.44 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 555 N 9.15 4.48 0.00 2.76 2.86 0.00 0.00 6.85 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 7.97 4.51 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.41 0.00 3.07 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 0.00 558 H 7.37 4.91 0.00 3.35 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.65 4.50 0.00 2.76 2.85 0.00 0.00 7.10 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 9.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 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 0.00 562 G 8.56 5.05 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 0.00 0.00 0.00 563 F 8.02 5.26 0.00 3.02 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 0.00 564 S 8.80 4.41 0.00 3.90 3.88 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 0.00 0.00 0.00 565 E 8.27 4.76 0.00 2.16 1.93 0.00 0.00 0.00 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 2.36 0.00 566 V 8.26 4.82 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 567 I 8.72 4.38 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.91 0.00 0.00 568 F 8.88 4.97 0.00 2.91 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 0.00 569 R 8.96 4.35 0.00 1.72 1.77 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00