NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 531 Y 4.3833 8.1444 121.6880 57.3401 40.1683 173.9542 532 D 4.6541 7.1938 125.0317 51.9719 42.5602 175.4189 533 R 4.2988 9.5193 128.3758 59.1818 31.2131 178.5273 534 K 3.9882 8.1350 117.9109 59.4438 32.0995 178.9306 535 L 3.7457 8.2093 120.5427 57.9353 41.9496 178.7365 536 F 4.2144 8.0149 119.9745 61.2576 39.3244 176.9515 537 A 3.8484 8.2960 120.4530 55.0672 18.1971 179.7739 538 K 3.8738 8.0487 116.9789 59.4952 32.0621 179.5684 539 L 4.0288 8.2372 119.6673 57.8801 41.5641 179.7694 540 R 3.7937 7.7358 117.9261 59.0380 29.9625 179.0297 541 K 3.8709 7.9132 119.4090 59.3213 32.1805 178.6151 542 L 3.7809 7.8492 120.5873 58.1009 41.8981 178.8816 543 R 4.0347 8.1777 118.7598 59.2612 29.9685 178.3778 544 K 3.8748 8.1694 119.4294 59.5284 32.2309 178.8305 545 S 4.0828 8.0504 115.3391 61.8115 62.7101 176.9011 546 I 3.7207 7.8523 122.0498 64.3170 36.7635 178.4626 547 A 3.9121 8.1801 121.7957 55.0850 18.2780 179.4368 548 D 4.2379 8.4462 117.8340 57.5469 40.7322 178.6080 549 E 3.9455 7.9283 118.2970 59.3932 29.7760 178.5180 550 S 4.2721 8.2789 112.8903 58.2752 63.7385 173.2917 551 N 4.1580 7.8547 118.6994 54.9120 37.3881 173.7413 552 V 4.4960 7.8202 108.9153 58.3361 35.9580 174.5752 553 P 4.1575 0.0000 0.0000 62.0700 31.9459 175.7434 554 P 4.1510 0.0000 0.0000 65.8696 31.4082 178.3474 555 Y 4.6201 7.5876 113.8836 59.1488 38.0453 177.5736 556 V 3.6192 6.9705 120.0454 65.6572 31.2491 176.9437 557 V 2.9030 6.9109 119.5390 64.0483 31.8559 175.2715 558 F 4.9585 7.1544 116.8672 54.7873 43.1726 174.2779 559 N 4.9402 8.6779 121.7242 52.2753 39.8131 175.9898 560 D 4.5104 8.6692 119.6828 57.4989 40.8397 178.9193 561 A 4.0255 8.1627 120.9375 55.2870 18.0260 179.6274 562 T 3.7679 8.4263 114.4063 66.7839 68.2916 176.8628 563 L 4.0680 7.5064 119.7375 57.7748 42.0935 179.2890 564 I 4.0065 8.2049 119.9662 64.2566 36.9744 179.3845 565 E 4.1164 8.1137 118.1249 56.5198 28.9583 178.0660 *567 A 3.7198 8.0581 121.1370 51.2605 20.6387 179.3348 568 E 4.1552 7.7757 114.3729 58.6763 31.1749 177.3837 569 Q 3.7173 8.9827 118.4148 56.9991 27.5840 175.5794 *571 P 4.4020 0.0000 0.0000 63.3609 33.1202 177.2169 572 I 4.4680 8.4438 121.0995 60.7165 39.2534 175.2864 573 T 4.6478 7.5710 108.7057 59.0265 71.5053 174.0158 574 A 4.1690 8.7134 124.8969 55.6761 18.5880 179.4069 575 S 4.2968 8.1891 110.0991 62.0065 63.2290 177.3296 576 E 4.0409 7.8716 117.8223 56.8247 28.3491 178.7541 *578 L 4.4111 7.9152 119.5918 54.4103 43.4893 177.9807 579 S 4.3764 7.5216 110.6837 59.1641 64.0051 174.8409 580 V 3.9747 7.5244 122.6113 62.2944 31.8212 174.5743 581 N 4.5137 9.1324 127.0379 55.0515 39.2734 174.9349 582 G 3.9906 9.0145 112.7238 46.3381 0.0000 173.4479 583 V 4.3235 7.2948 118.7287 61.5557 32.5846 175.4587 584 G 3.6844 8.7935 118.9155 45.9865 0.0000 173.7477 *586 R 4.1826 9.2067 123.2816 56.1916 32.2427 176.5984 587 K 4.0961 7.9386 116.6456 59.1775 32.0122 179.0382 588 L 4.0651 8.1462 120.9362 58.0231 41.7850 178.7177 589 E 3.8843 7.9789 117.8683 59.2966 29.8181 178.3059 590 R 3.7844 7.4412 116.9909 58.4351 30.5514 176.8528 591 F 5.2306 8.2702 114.7410 57.0850 41.1894 177.4924 592 G 3.9137 8.4139 110.0720 48.6729 0.0000 175.4244 593 K 4.1778 8.3147 118.4085 58.9029 32.5622 176.4580 594 P 4.3811 0.0000 0.0000 65.8612 31.5214 178.5184 595 F 4.0842 8.0942 113.2423 58.0703 38.5514 177.0613 *597 A 4.2657 8.0972 126.0231 52.2224 20.5036 179.6493 598 L 3.9277 8.0178 117.0540 58.3320 42.0142 179.3750 599 I 3.6813 7.7957 119.6330 64.3414 37.0620 178.1034 600 R 3.8693 8.1282 118.8488 59.6959 29.7198 178.1284 601 A 3.9786 8.1540 120.2781 55.3020 18.2081 179.0917 602 H 4.0497 8.2626 116.7991 59.5168 29.7714 177.7824 603 V 3.5688 7.7968 118.8699 65.9465 31.4850 177.2589 604 D 4.5703 8.1689 116.9278 54.8965 40.7570 176.8620 605 G 3.7889 7.5972 107.5514 46.3129 0.0000 173.4223 606 D 4.4924 8.2206 125.2723 54.0593 40.9478 176.6008 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 531 Y 8.14 4.38 0.00 2.90 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 0.00 532 D 7.19 4.65 0.00 2.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 9.52 4.30 0.00 2.02 2.11 0.00 3.27 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 534 K 8.14 3.99 0.00 2.04 1.91 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.55 7.81 535 L 8.21 3.75 0.00 1.30 1.63 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 536 F 8.01 4.21 0.00 3.20 3.34 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 0.00 537 A 8.30 3.85 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 538 K 8.05 3.87 0.00 1.93 1.81 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 539 L 8.24 4.03 0.00 1.76 1.82 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 540 R 7.74 3.79 0.00 1.72 1.81 0.00 2.89 0.00 0.00 2.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.00 541 K 7.91 3.87 0.00 1.87 1.90 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 542 L 7.85 3.78 0.00 1.55 1.43 0.68 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 543 R 8.18 4.03 0.00 2.24 2.14 0.00 3.51 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 544 K 8.17 3.87 0.00 1.93 1.91 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.46 7.81 545 S 8.05 4.08 0.00 4.02 3.86 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 0.00 546 I 7.85 3.72 1.85 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 1.52 0.73 0.97 0.00 0.00 547 A 8.18 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.24 0.00 2.77 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 0.00 549 E 7.93 3.95 0.00 2.05 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 0.00 2.33 2.35 0.00 550 S 8.28 4.27 0.00 3.99 3.93 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 0.00 0.00 0.00 551 N 7.85 4.16 0.00 2.83 2.84 0.00 0.00 6.92 7.53 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 0.00 552 V 7.82 4.50 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 0.78 0.00 0.00 0.85 0.00 0.00 553 P 0.00 4.16 0.00 0.83 1.48 0.00 3.37 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 554 P 0.00 4.15 0.00 2.19 2.10 0.00 3.52 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 555 Y 7.59 4.62 0.00 3.03 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 0.00 556 V 6.97 3.62 2.02 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 0.69 0.00 0.00 0.69 0.00 0.00 557 V 6.91 2.90 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 -0.49 0.00 0.00 0.59 0.00 0.00 558 F 7.15 4.96 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.68 4.94 0.00 3.06 3.06 0.00 0.00 6.12 8.07 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 0.00 560 D 8.67 4.51 0.00 2.80 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 0.00 561 A 8.16 4.03 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 562 T 8.43 3.77 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 563 L 7.51 4.07 0.00 2.07 1.99 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 564 I 8.20 4.01 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.11 0.96 0.00 0.00 565 E 8.11 4.12 0.00 2.05 2.02 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 2.27 2.32 0.00 *567 A 8.06 3.72 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 E 7.78 4.16 0.00 2.30 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 2.44 2.64 0.00 569 Q 8.98 3.72 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 *571 P 0.00 4.40 0.00 2.19 2.22 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 572 I 8.44 4.47 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.92 0.00 0.00 573 T 7.57 4.65 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 1.22 0.00 0.00 574 A 8.71 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 S 8.19 4.30 0.00 3.88 3.95 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 0.00 576 E 7.87 4.04 0.00 2.12 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 2.33 2.29 0.00 *578 L 7.92 4.41 0.00 1.81 1.78 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.52 4.38 0.00 4.03 3.98 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 0.00 580 V 7.52 3.97 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 0.88 0.00 0.00 0.87 0.00 0.00 581 N 9.13 4.51 0.00 2.80 2.71 0.00 0.00 7.45 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 0.00 582 G 9.01 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 0.00 583 V 7.29 4.32 2.20 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 0.85 0.00 0.00 0.69 0.00 0.00 584 G 8.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *586 R 9.21 4.18 0.00 1.88 1.98 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 587 K 7.94 4.10 0.00 2.03 2.13 0.00 1.48 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.57 7.81 588 L 8.15 4.07 0.00 1.93 1.75 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 589 E 7.98 3.88 0.00 1.98 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 2.23 2.34 0.00 590 R 7.44 3.78 0.00 1.37 0.87 0.00 3.05 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 591 F 8.27 5.23 0.00 3.33 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.91 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 0.00 0.00 0.00 593 K 8.31 4.18 0.00 1.82 1.93 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 594 P 0.00 4.38 0.00 2.12 2.05 0.00 3.93 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 595 F 8.09 4.08 0.00 3.40 3.07 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 0.00 0.00 0.00 *597 A 8.10 4.27 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 598 L 8.02 3.93 0.00 1.77 1.81 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 599 I 7.80 3.68 1.91 0.00 0.00 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 1.43 0.53 0.98 0.00 0.00 600 R 8.13 3.87 0.00 1.89 2.11 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 601 A 8.15 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 602 H 8.26 4.05 0.00 3.26 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 V 7.80 3.57 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 0.89 0.00 0.00 1.02 0.00 0.00 604 D 8.17 4.57 0.00 2.82 2.75 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 0.00 605 G 7.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 D 8.22 4.49 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.