NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 553 A 4.3120 8.2493 123.5822 51.0792 20.0628 177.2718 554 P 4.2878 0.0000 0.0000 61.4483 33.3210 174.9052 555 P 4.3756 0.0000 0.0000 66.3755 31.7050 180.1355 556 Q 4.0300 8.0582 115.8522 59.0420 28.5531 178.6109 557 E 4.0649 8.0984 119.1201 59.0600 29.5884 179.0119 558 Q 3.9976 8.3181 118.5224 59.0414 28.7796 179.1169 559 K 3.9824 8.0425 119.4097 59.3867 32.0604 179.2133 560 Q 3.9573 8.0909 119.8815 59.3882 29.0645 178.2111 561 M 4.0633 8.3558 120.0158 58.4452 32.0464 178.7561 562 L 4.1599 8.1829 119.2508 57.8019 41.7292 179.8223 563 G 3.6994 8.5563 106.0838 47.9180 0.0000 175.5463 564 E 4.0237 8.1708 119.9533 59.1646 29.4765 179.2239 565 R 4.2180 7.4470 116.5276 58.7793 30.6214 178.5968 566 L 4.1701 8.1353 118.9665 57.4163 41.6490 179.0237 567 F 4.0750 8.6218 121.0996 61.1175 39.4788 175.5700 568 P 4.3438 0.0000 0.0000 65.2509 30.9624 178.7488 569 L 3.9413 7.7444 117.5906 57.8999 41.6228 179.3742 570 I 3.6901 7.7706 119.8180 64.2371 36.5397 178.2269 571 Q 3.6292 8.1861 120.5986 58.9307 28.4904 178.2748 572 A 3.9766 7.4913 120.6924 55.3590 18.4689 179.2843 573 M 4.2121 7.4284 116.0008 57.6749 33.5723 177.2617 574 H 4.8301 8.2873 116.8150 53.0386 30.4700 171.7340 575 P 4.3690 0.0000 0.0000 64.7689 31.6473 178.1498 576 T 4.1181 7.8644 106.4564 63.4423 69.3131 175.6143 577 L 4.5996 7.7445 119.8933 54.0603 42.0465 177.6526 578 A 4.0127 7.9977 122.9024 55.3857 18.2454 180.2421 579 G 3.7304 8.2434 103.4876 47.8207 0.0000 175.6948 580 K 3.9875 8.0103 121.7321 59.3424 32.3846 178.8470 581 I 3.7110 8.1299 120.4923 64.6661 36.9943 178.5382 582 T 4.0153 8.3969 117.0571 66.6324 68.0880 176.8143 583 G 3.6766 8.0348 106.4087 48.0341 0.0000 175.2762 584 M 4.2311 8.2328 121.0916 58.3366 32.0529 178.9751 585 L 4.0536 8.1139 118.9746 57.6412 41.5445 179.4171 586 L 4.1246 7.9311 117.8650 57.0947 41.5864 178.6262 587 E 4.2086 7.8154 117.6340 56.9706 29.6910 176.9578 588 I 4.1096 7.1185 112.6941 59.3977 39.0469 175.6452 589 D 4.3845 8.5219 119.4947 54.9468 42.3584 176.8284 590 N 4.3520 8.8998 123.7330 56.4427 38.5936 177.5678 591 S 4.1258 8.4647 115.5959 61.7074 62.8922 176.5634 592 E 4.0122 8.1399 121.8839 58.9174 29.2950 179.1858 593 L 3.9940 7.9619 119.0411 57.7866 41.4679 179.5129 594 L 4.0061 8.0206 118.1924 58.0926 41.7727 178.7830 595 H 4.3601 8.3350 118.1891 59.5641 29.7274 177.2562 596 M 3.9708 8.3632 120.7164 58.2105 31.5533 178.3090 597 L 4.2370 7.8171 117.3577 56.2260 41.8990 177.3423 598 E 4.5587 8.0160 116.8343 56.0065 30.7540 176.4658 599 S 4.4468 7.6338 113.7962 54.4303 63.0397 171.8417 600 P 4.2296 0.0000 0.0000 65.4810 31.1577 177.7499 601 E 3.9599 8.0806 116.6784 59.4164 29.4390 179.3970 602 S 4.1075 7.8257 115.3559 61.4106 62.8205 176.4742 603 L 3.9133 8.0200 123.0745 58.1177 41.8057 178.9255 604 R 3.8750 8.2417 118.9124 59.5922 30.0041 178.6366 605 S 4.1026 8.2064 114.9381 61.5255 62.7542 176.6864 606 K 3.9654 8.0968 122.3650 59.3309 31.8766 179.0687 607 V 3.5677 8.1516 118.9823 66.0972 31.4868 177.6456 608 D 4.3588 8.2735 118.7270 57.3242 40.5939 178.4659 609 E 3.8832 8.2286 119.4394 59.2473 29.6788 178.6026 610 A 3.9529 8.2459 121.1156 55.2077 18.3405 179.7464 611 V 3.4417 8.1446 116.7878 66.0745 31.5933 178.0616 612 A 3.9549 7.9955 120.4770 55.1631 18.2006 179.8497 613 V 3.5073 8.0060 116.8648 65.9089 31.6011 177.9699 614 L 3.9232 8.3056 120.4906 58.3809 41.9910 178.9660 615 Q 3.9731 8.3440 117.9147 58.9717 28.6354 178.7277 616 A 4.0205 8.0314 121.8203 55.3539 18.3552 179.2445 617 H 4.1219 8.3029 116.8442 59.5180 30.0929 177.6041 618 Q 3.9733 8.3958 119.8103 58.6864 28.2583 178.5942 619 A 4.0353 7.9962 123.5769 55.8057 18.5567 180.2057 620 K 4.1340 7.9099 123.4119 60.5252 31.8166 181.3074 621 E 4.2908 8.1584 117.7585 60.2576 29.7362 179.8246 622 A 4.5116 7.5970 123.2516 52.7550 18.8358 176.9286 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 553 A 8.25 4.31 1.27 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 0.00 554 P 0.00 4.29 0.00 2.35 2.19 0.00 3.85 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 2.13 2.11 0.00 555 P 0.00 4.38 0.00 2.17 2.17 0.00 3.60 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 2.12 2.20 0.00 556 Q 8.06 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 557 E 8.10 4.06 0.00 2.15 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 0.00 2.39 2.39 0.00 558 Q 8.32 4.00 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 559 K 8.04 3.98 0.00 1.95 1.86 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.59 7.81 560 Q 8.09 3.96 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 561 M 8.36 4.06 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 562 L 8.18 4.16 0.00 1.84 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 563 G 8.56 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 0.00 564 E 8.17 4.02 0.00 2.11 2.05 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 2.61 2.49 0.00 565 R 7.45 4.22 0.00 2.07 2.00 0.00 3.23 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 566 L 8.14 4.17 0.00 1.77 1.75 0.95 0.74 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 0.00 567 F 8.62 4.07 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 568 P 0.00 4.34 0.00 2.21 2.13 0.00 3.86 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 569 L 7.74 3.94 0.00 1.79 1.67 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 570 I 7.77 3.69 1.75 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 1.39 0.79 0.87 0.00 0.00 571 Q 8.19 3.63 0.00 1.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 572 A 7.49 3.98 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 0.00 573 M 7.43 4.21 0.00 1.86 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 574 H 8.29 4.83 0.00 3.08 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.37 0.00 2.02 2.11 0.00 3.69 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 576 T 7.86 4.12 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 0.00 577 L 7.74 4.60 0.00 1.70 1.68 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.00 4.01 1.04 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 0.00 0.00 0.00 0.00 0.00 579 G 8.24 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 0.00 0.00 0.00 0.00 580 K 8.01 3.99 0.00 1.90 1.96 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.60 7.81 581 I 8.13 3.71 1.87 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 1.71 0.67 0.90 0.00 0.00 582 T 8.40 4.02 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 583 G 8.03 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 0.00 584 M 8.23 4.23 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 585 L 8.11 4.05 0.00 1.87 1.73 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.93 4.12 0.00 1.79 1.75 0.98 0.91 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 0.00 587 E 7.82 4.21 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 588 I 7.12 4.11 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 1.43 0.54 0.92 0.00 0.00 589 D 8.52 4.38 0.00 2.81 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 0.00 590 N 8.90 4.35 0.00 2.77 2.87 0.00 0.00 6.88 7.57 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 0.00 591 S 8.46 4.13 0.00 4.06 4.13 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 0.00 592 E 8.14 4.01 0.00 2.19 2.06 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 2.41 2.41 0.00 593 L 7.96 3.99 0.00 1.87 1.73 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 594 L 8.02 4.01 0.00 1.78 1.75 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 595 H 8.34 4.36 0.00 3.22 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 8.36 3.97 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 597 L 7.82 4.24 0.00 1.83 1.73 0.93 0.89 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 0.00 598 E 8.02 4.56 0.00 2.04 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 2.24 2.35 0.00 599 S 7.63 4.45 0.00 3.59 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 P 0.00 4.23 0.00 2.18 2.09 0.00 3.63 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 2.10 2.18 0.00 601 E 8.08 3.96 0.00 2.00 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 0.00 2.39 2.39 0.00 602 S 7.83 4.11 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 L 8.02 3.91 0.00 1.90 1.77 0.92 0.71 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 0.00 604 R 8.24 3.87 0.00 1.96 2.14 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 605 S 8.21 4.10 0.00 4.04 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 0.00 606 K 8.10 3.97 0.00 2.02 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 607 V 8.15 3.57 2.15 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 1.09 0.00 0.00 0.95 0.00 0.00 608 D 8.27 4.36 0.00 2.90 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 0.00 609 E 8.23 3.88 0.00 2.13 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 2.30 2.33 0.00 610 A 8.25 3.95 1.36 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 0.00 0.00 611 V 8.14 3.44 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 1.00 0.00 0.00 0.72 0.00 0.00 612 A 8.00 3.95 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 0.00 613 V 8.01 3.51 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 0.98 0.00 0.00 0.97 0.00 0.00 614 L 8.31 3.92 0.00 1.81 1.83 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 615 Q 8.34 3.97 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 616 A 8.03 4.02 1.36 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 0.00 0.00 617 H 8.30 4.12 0.00 3.30 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 Q 8.40 3.97 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 619 A 8.00 4.04 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 0.00 620 K 7.91 4.13 0.00 1.89 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 621 E 8.16 4.29 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 622 A 7.60 4.51 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