NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 563 P 4.3292 0.0000 0.0000 61.0118 33.4139 175.4391 564 Q 5.0860 7.4946 129.8993 54.1242 31.3404 171.2965 565 K 4.3518 8.0248 125.8343 56.2005 34.3687 175.2329 566 I 4.8396 8.1545 118.5631 58.7380 39.7772 174.9385 567 C 4.2416 9.0715 127.7829 59.9914 31.7925 174.5280 568 L 4.2010 8.8150 126.2325 56.8678 41.6554 178.5891 569 I 3.9897 7.7501 119.4856 63.5217 37.6524 176.4432 570 C 4.8856 7.5347 111.8078 56.5704 31.0209 175.3616 571 G 3.9376 8.1934 108.8233 45.0722 0.0000 172.8008 572 D 4.5956 7.5724 119.4781 53.5456 43.0928 174.4376 573 E 4.5627 8.5700 122.2853 55.9904 29.8714 176.2644 574 A 4.5231 8.9415 130.0676 52.1767 18.8361 177.1223 575 S 4.5282 9.5268 114.2556 57.4578 65.2161 174.4788 576 G 3.6625 7.3102 107.0285 45.6491 0.0000 170.0153 577 C 4.4706 7.9933 120.6674 58.4942 31.5479 172.7765 578 H 4.6194 8.9236 125.5035 55.2430 30.6799 173.8660 579 Y 3.9219 9.3280 120.4601 59.4365 35.5129 171.9689 580 G 4.0337 8.4886 107.3627 45.1484 0.0000 174.6682 581 V 4.4203 7.7172 118.9130 60.3656 35.5238 174.2146 582 L 4.5901 8.5986 128.5650 56.0439 42.9448 175.5605 583 T 5.2018 8.6209 116.0034 59.9470 73.1865 173.1671 584 C 4.9232 8.5514 117.0380 56.9480 31.5875 174.8456 585 G 3.5960 8.5942 106.1002 47.8134 0.0000 175.9983 586 S 4.2247 8.0072 116.1895 61.6366 63.1323 176.3256 587 C 4.3139 8.1205 119.9316 62.0791 27.9351 175.4707 588 K 4.1420 7.9570 121.8063 59.8223 31.8185 178.9476 589 V 3.7332 7.9844 117.8975 65.7628 31.4682 177.8435 590 F 4.0870 8.6175 120.7464 61.2472 39.2549 176.7224 591 F 3.9467 8.7464 120.4478 61.1451 39.2715 176.6798 592 K 3.4265 7.9543 118.8447 59.7358 32.0949 178.8156 593 R 3.8412 8.3238 118.1946 59.0069 29.7021 179.0244 594 A 3.9039 7.7824 119.8581 55.5341 18.4622 179.4223 595 M 3.8825 7.3148 115.7986 58.0418 31.8932 178.5434 596 E 3.9891 7.5390 118.5740 58.2737 30.3130 177.3643 597 G 3.4650 7.0212 106.6103 45.0100 0.0000 173.2518 598 Q 4.1357 8.1015 122.3654 54.8685 28.5046 174.6479 599 H 4.2574 8.2166 122.4603 54.9187 30.4477 174.9028 600 N 4.0045 7.8612 116.5712 54.5562 36.8433 173.6221 601 Y 4.4707 7.4288 115.3527 58.0644 39.1254 176.0350 602 L 4.7897 8.3891 124.1087 52.4637 44.4463 175.9915 603 C 4.0818 8.8125 123.6559 59.8105 31.8408 173.2333 604 A 4.4130 8.6866 128.7703 53.1358 19.8586 178.0039 605 G 4.2268 7.4309 102.2684 45.8248 0.0000 175.1142 606 R 4.5863 8.3272 119.4213 55.9281 30.6570 174.8618 607 N 4.2427 8.4470 110.4308 54.4821 36.1962 174.7627 608 D 4.7761 7.9963 116.3913 54.2457 42.7101 176.2406 609 C 4.1940 7.9289 116.5229 60.0749 28.6015 173.3450 610 I 3.7166 8.2595 125.3949 61.3557 37.1246 176.2520 611 V 3.9914 8.2553 126.1749 61.2077 30.8269 173.7520 612 D 5.6013 7.7482 125.7503 49.6702 42.5674 176.8796 613 K 3.9058 8.6605 119.0775 59.8799 32.2453 178.2614 614 I 3.8693 7.7713 117.9223 63.6656 37.3421 176.9016 615 R 4.5043 7.8966 117.2817 55.4839 30.5105 177.7932 616 R 3.8361 7.6873 116.5174 59.0428 29.1120 177.9321 617 K 4.0164 7.7618 115.0505 57.9814 33.3393 177.7126 618 N 4.2764 8.3055 118.2354 56.0648 38.6306 175.6934 619 C 4.5778 7.5366 122.7195 56.1109 33.1342 171.9494 620 P 3.9638 0.0000 0.0000 65.3328 30.7172 177.9733 621 A 4.1060 7.8522 119.9977 55.5393 18.3153 179.3579 622 C 4.1234 7.9765 114.5274 62.7445 28.2557 176.2286 623 R 3.7877 8.0786 120.5541 59.1673 29.5256 178.3517 624 L 4.3637 8.6145 120.7019 58.1930 42.1153 178.8175 625 R 3.9272 8.3128 118.8140 59.3966 30.0546 178.1322 626 K 3.8570 8.2380 119.4387 59.8510 32.2434 178.1745 627 C 4.0491 8.2930 116.7107 63.3533 28.1164 176.1073 628 C 4.2931 8.5138 118.2711 62.9491 27.4740 176.1716 629 Q 4.1723 8.2571 118.5799 58.3663 28.4148 177.9453 630 A 4.2011 7.8395 121.0481 52.9252 18.5391 177.9562 631 G 4.0251 7.4633 102.3723 45.1409 0.0000 174.1134 632 M 4.2183 7.6194 119.9486 55.6350 32.2450 176.2063 633 V 4.6848 8.5522 122.9088 60.8128 34.7295 174.9788 634 L 4.2435 9.0353 129.2359 54.3002 43.0343 175.8767 635 G 4.5632 8.2936 121.6194 45.4657 0.0000 172.9150 636 G 3.8243 8.2902 114.8861 44.5911 0.0000 170.6088 637 R 3.6178 8.4544 130.3068 56.7796 26.7661 176.3640 638 K 3.9418 7.4834 124.3378 56.6111 32.8422 178.3424 *639 F 4.4936 7.8306 122.3869 56.9205 38.6208 177.1904 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 563 P 0.00 4.33 0.00 2.19 2.22 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 564 Q 7.49 5.09 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.50 0.00 565 K 8.02 4.35 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.43 7.81 566 I 8.15 4.84 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 1.22 0.63 0.96 0.00 0.00 567 C 9.07 4.24 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.20 0.00 1.77 1.70 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 569 I 7.75 3.99 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 1.48 0.78 0.90 0.00 0.00 570 C 7.53 4.89 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 571 G 8.19 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 0.00 572 D 7.57 4.60 0.00 2.81 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 0.00 573 E 8.57 4.56 0.00 2.02 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 2.29 2.32 0.00 574 A 8.94 4.52 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 0.00 575 S 9.53 4.53 0.00 3.92 4.02 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 0.00 576 G 7.31 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 C 7.99 4.47 0.00 2.87 2.78 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 0.00 578 H 8.92 4.62 0.00 3.15 2.94 0.00 5.82 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 Y 9.33 3.92 0.00 3.10 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 0.00 580 G 8.49 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 581 V 7.72 4.42 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 0.97 0.00 0.00 0.93 0.00 0.00 582 L 8.60 4.59 0.00 1.75 1.56 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 583 T 8.62 5.20 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 1.28 0.00 0.00 584 C 8.55 4.92 0.00 3.20 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 0.00 585 G 8.59 3.60 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 0.00 0.00 0.00 586 S 8.01 4.22 0.00 4.10 4.16 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 0.00 587 C 8.12 4.31 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 K 7.96 4.14 0.00 1.80 2.04 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.41 7.81 589 V 7.98 3.73 2.18 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 0.95 0.00 0.00 1.09 0.00 0.00 590 F 8.62 4.09 0.00 3.30 3.36 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 0.00 0.00 0.00 0.00 591 F 8.75 3.95 0.00 3.28 3.29 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 0.00 592 K 7.95 3.43 0.00 1.96 1.98 0.00 1.39 0.00 0.00 1.56 0.00 0.00 3.37 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.49 7.81 593 R 8.32 3.84 0.00 1.93 1.93 0.00 3.35 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 594 A 7.78 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 M 7.31 3.88 0.00 1.61 1.52 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 596 E 7.54 3.99 0.00 2.10 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 2.24 2.28 0.00 597 G 7.02 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.14 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 599 H 8.22 4.26 0.00 1.89 2.15 0.00 5.90 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 0.00 600 N 7.86 4.00 0.00 2.70 2.71 0.00 0.00 7.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 Y 7.43 4.47 0.00 3.08 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 0.00 602 L 8.39 4.79 0.00 1.63 1.59 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 603 C 8.81 4.08 0.00 2.95 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 0.00 604 A 8.69 4.41 1.29 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 0.00 605 G 7.43 4.23 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 0.00 0.00 0.00 606 R 8.33 4.59 0.00 1.77 1.90 0.00 3.37 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 607 N 8.45 4.24 0.00 2.87 2.90 0.00 0.00 6.95 8.06 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 0.00 608 D 8.00 4.78 0.00 2.61 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 0.00 609 C 7.93 4.19 0.00 2.97 2.83 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 0.00 610 I 8.26 3.72 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 0.89 0.00 0.00 611 V 8.26 3.99 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 0.94 0.00 0.00 612 D 7.75 5.60 0.00 2.87 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 0.00 613 K 8.66 3.91 0.00 1.70 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.51 7.81 614 I 7.77 3.87 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.89 0.00 0.00 615 R 7.90 4.50 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.45 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 616 R 7.69 3.84 0.00 1.78 2.18 0.00 3.00 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 617 K 7.76 4.02 0.00 1.83 1.90 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.41 7.81 618 N 8.31 4.28 0.00 2.79 2.87 0.00 0.00 6.65 7.22 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 0.00 619 C 7.54 4.58 0.00 2.88 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 0.00 620 P 0.00 3.96 0.00 0.49 1.71 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 621 A 7.85 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 C 7.98 4.12 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 R 8.08 3.79 0.00 1.68 1.60 0.00 2.38 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.32 0.00 624 L 8.61 4.36 0.00 2.22 2.12 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 625 R 8.31 3.93 0.00 2.13 2.11 0.00 3.20 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 626 K 8.24 3.86 0.00 2.05 1.94 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 627 C 8.29 4.05 0.00 3.49 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 0.00 628 C 8.51 4.29 0.00 3.18 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 0.00 629 Q 8.26 4.17 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 630 A 7.84 4.20 1.34 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 0.00 0.00 631 G 7.46 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 632 M 7.62 4.22 0.00 0.51 1.50 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 2.43 2.26 0.00 633 V 8.55 4.68 2.16 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 0.82 0.00 0.00 1.05 0.00 0.00 634 L 9.04 4.24 0.00 1.63 1.53 0.39 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 635 G 8.29 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 G 8.29 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 0.00 637 R 8.45 3.62 0.00 1.96 2.00 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 638 K 7.48 3.94 0.00 1.82 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *639 F 7.83 4.49 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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.