NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 G 4.4184 8.4545 109.7319 45.2849 0.0000 173.2493 526 K 4.1057 8.0552 130.5223 53.3954 34.8333 172.0167 527 N 4.7744 8.8705 118.6347 51.1441 40.5944 171.8069 528 P 4.3415 0.0000 0.0000 65.9683 31.6956 179.8908 529 V 3.9155 7.4075 113.5611 63.6295 30.8217 177.2891 *531 E 4.2066 8.2771 119.7382 55.8086 31.3933 178.0162 532 L 3.8175 8.0713 120.1200 58.0207 41.1086 178.4706 533 N 4.9387 8.1219 118.3962 56.1859 38.5897 176.6536 534 E 4.0827 7.6844 119.1771 58.4955 29.5230 178.4671 535 K 4.3054 6.9297 114.1663 56.3424 33.1197 177.0923 536 R 4.4013 8.1791 121.2591 55.2823 31.8766 175.6516 537 R 4.5099 8.5892 121.6957 55.9935 30.5234 172.7666 538 G 4.2730 8.6734 103.3091 47.2045 0.0000 174.1894 539 L 4.0982 7.4728 120.5490 54.7589 42.1787 177.4089 *540 K 4.5504 8.3517 123.2005 52.9958 33.7568 174.7616 541 Y 4.7841 8.9249 124.3272 56.1897 39.3824 175.4556 542 E 4.7654 8.9910 123.1462 54.4675 32.3641 172.0267 543 L 4.4397 8.7024 127.4170 54.1311 42.1714 176.1683 544 I 4.4563 8.6707 119.8950 61.2274 39.3337 175.8077 545 S 4.6293 7.8291 117.4328 57.1293 65.9957 172.5720 546 E 4.7505 8.7041 127.8439 55.2231 31.8178 173.5102 547 T 4.5357 8.2844 117.1318 60.6391 73.0586 173.9938 548 G 4.2947 8.2972 105.4527 46.3613 0.0000 173.5196 549 G 3.8206 8.2035 111.3079 45.1248 0.0000 175.3813 *550 S 4.3318 8.6806 115.0352 60.2527 61.8425 172.5104 *551 H 5.0040 7.9393 116.6491 55.8598 29.6420 179.7502 *552 D 4.7020 8.4831 121.3634 53.2894 40.9730 180.6848 553 K 4.3889 8.1871 123.9406 56.4279 33.2409 178.3999 554 R 4.9135 8.5748 123.2173 54.2474 33.5993 173.7446 555 F 5.4572 9.4623 124.9732 55.8181 42.5441 174.5444 556 V 5.2337 8.6354 120.8032 59.9077 35.8393 173.5177 *558 E 4.8204 8.4869 122.6364 55.9962 31.0338 174.5274 559 V 4.6593 9.0245 125.0622 59.8136 34.9299 173.6627 560 E 5.0715 8.6967 124.5035 54.5669 31.3451 175.1028 561 V 4.2994 9.0941 126.4424 62.1397 34.3752 174.9994 562 D 4.4601 9.7580 128.4365 55.6085 37.9531 175.0523 563 G 3.9434 8.0667 103.8165 46.0537 0.0000 173.0878 564 Q 4.4085 7.8727 119.6741 54.4309 30.7120 174.7630 565 K 4.8102 8.1212 122.5661 54.9711 34.0939 175.8995 566 F 4.8894 9.2100 122.8499 55.8033 42.6040 174.1641 567 Q 5.0929 9.0106 121.0566 54.3086 32.3565 175.0019 568 G 4.4793 8.5550 106.0848 45.0023 0.0000 171.6046 569 A 5.8190 7.7479 124.0679 49.0748 22.6923 175.0183 570 G 4.0609 7.9750 104.9176 46.5736 0.0000 174.3100 571 S 4.8258 9.3435 114.4971 59.3680 63.5879 174.6810 572 N 5.2350 7.8229 117.2769 50.0545 41.5070 175.2189 573 K 3.6560 7.7875 120.5683 59.2072 32.1004 179.4035 574 K 3.7902 7.8515 119.6550 59.6317 32.0920 179.1080 575 V 3.6614 7.7588 118.5217 64.4603 31.4926 178.0422 576 A 4.1464 8.0082 121.2649 54.9320 18.2671 179.4946 577 K 3.9680 8.4719 118.3686 59.6236 32.1783 178.8561 578 A 3.9450 8.0530 121.0391 55.4891 18.2353 179.2857 579 Y 4.0255 8.4572 115.2379 60.8982 37.7940 178.4442 580 A 4.2292 8.2341 121.8559 55.1752 18.4948 179.5903 581 A 4.0517 8.3330 119.3924 55.1863 18.4392 179.4436 582 L 3.8929 8.3248 119.0009 58.3768 41.9491 179.1452 583 A 4.0529 8.3759 120.4437 55.0489 18.2537 179.5054 584 A 2.0000 7.4920 118.9341 54.7136 18.3073 179.9112 585 L 4.0956 8.1968 117.9347 58.0406 41.4512 179.6565 586 E 3.9503 8.3941 118.1179 58.6452 29.3607 178.9661 587 K 4.1295 7.3962 119.0616 59.1073 32.7175 178.3229 588 L 3.9576 7.7199 117.1928 55.3952 43.3296 177.1956 589 F 4.8669 7.9684 117.1214 54.8798 39.6574 173.3692 590 P 4.2691 0.0000 0.0000 65.8881 31.7485 178.0310 591 D 4.5331 8.0025 114.8567 55.5086 41.2153 176.5190 592 T 3.8969 7.7641 117.2191 62.9388 68.5587 172.3666 593 P 4.3180 0.0000 0.0000 62.3997 32.0082 176.2805 594 L 4.1748 8.4451 123.7182 55.2224 42.0242 175.9969 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 525 G 8.45 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.11 0.00 1.83 1.67 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.10 1.06 7.81 527 N 8.87 4.77 0.00 2.61 2.70 0.00 0.00 6.96 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 0.00 528 P 0.00 4.34 0.00 2.24 2.06 0.00 3.56 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 529 V 7.41 3.92 2.10 0.00 0.00 0.00 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 0.63 0.00 0.00 *531 E 8.28 4.21 0.00 2.01 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 2.44 2.21 0.00 532 L 8.07 3.82 0.00 1.83 1.70 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 533 N 8.12 4.94 0.00 2.95 2.78 0.00 0.00 6.90 7.76 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 0.00 534 E 7.68 4.08 0.00 2.02 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 0.00 2.28 2.43 0.00 535 K 6.93 4.31 0.00 1.30 1.19 0.00 1.25 0.00 0.00 1.40 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.93 0.21 7.81 536 R 8.18 4.40 0.00 1.76 1.81 0.00 3.33 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 537 R 8.59 4.51 0.00 1.74 1.80 0.00 3.40 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 538 G 8.67 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 0.00 0.00 0.00 0.00 539 L 7.47 4.10 0.00 1.78 1.45 0.93 0.77 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 *540 K 8.35 4.55 0.00 1.75 1.57 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.99 7.81 541 Y 8.92 4.78 0.00 2.82 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 0.00 542 E 8.99 4.77 0.00 1.70 1.70 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 2.16 2.09 0.00 543 L 8.70 4.44 0.00 1.71 1.69 1.28 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 544 I 8.67 4.46 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 1.32 0.85 0.94 0.00 0.00 545 S 7.83 4.63 0.00 3.90 3.71 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 0.00 546 E 8.70 4.75 0.00 2.05 1.80 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 2.07 1.87 0.00 547 T 8.28 4.54 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 548 G 8.30 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 0.00 0.00 0.00 0.00 549 G 8.20 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.33 0.00 3.64 3.78 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 0.00 0.00 0.00 *551 H 7.94 5.00 0.00 2.87 2.91 0.00 7.20 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *552 D 8.48 4.70 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 K 8.19 4.39 0.00 1.44 1.72 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.45 1.02 7.81 554 R 8.57 4.91 0.00 1.76 1.63 0.00 2.98 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 555 F 9.46 5.46 0.00 3.00 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 0.00 556 V 8.64 5.23 2.14 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 1.37 0.00 0.00 0.96 0.00 0.00 *558 E 8.49 4.82 0.00 2.16 1.87 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 2.27 2.43 0.00 559 V 9.02 4.66 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.18 0.00 0.00 560 E 8.70 5.07 0.00 1.96 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 2.21 2.37 0.00 561 V 9.09 4.30 2.36 0.00 0.00 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 1.00 0.00 0.00 562 D 9.76 4.46 0.00 2.91 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 0.00 563 G 8.07 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 0.00 564 Q 7.87 4.41 0.00 2.26 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 565 K 8.12 4.81 0.00 1.46 1.73 0.00 1.63 0.00 0.00 2.06 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.36 7.81 566 F 9.21 4.89 0.00 2.95 2.95 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 0.00 0.00 0.00 567 Q 9.01 5.09 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 568 G 8.56 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 5.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 G 7.97 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 0.00 571 S 9.34 4.83 0.00 3.96 4.01 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 0.00 572 N 7.82 5.23 0.00 2.79 2.90 0.00 0.00 6.27 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 K 7.79 3.66 0.00 1.47 1.63 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 0.21 7.81 574 K 7.85 3.79 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 575 V 7.76 3.66 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 1.06 0.00 0.00 1.04 0.00 0.00 576 A 8.01 4.15 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 K 8.47 3.97 0.00 1.77 1.84 0.00 1.27 0.00 0.00 0.72 0.00 0.00 2.68 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.91 0.84 7.81 578 A 8.05 3.95 1.25 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 0.00 0.00 0.00 579 Y 8.46 4.03 0.00 3.39 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 0.00 580 A 8.23 4.23 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 0.00 581 A 8.33 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 L 8.32 3.89 0.00 1.82 1.97 0.92 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 583 A 8.38 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 A 7.49 2.00 0.92 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 0.00 585 L 8.20 4.10 0.00 1.84 1.78 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 586 E 8.39 3.95 0.00 2.07 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 0.00 2.37 2.53 0.00 587 K 7.40 4.13 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.58 7.81 588 L 7.72 3.96 0.00 1.02 0.80 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 589 F 7.97 4.87 0.00 3.00 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 0.00 590 P 0.00 4.27 0.00 2.04 2.14 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 591 D 8.00 4.53 0.00 2.71 2.74 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 0.00 0.00 0.00 0.00 592 T 7.76 3.90 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 1.18 0.00 0.00 593 P 0.00 4.32 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 594 L 8.45 4.17 0.00 1.57 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.