NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 557 G 3.7882 8.3549 109.7367 46.7905 0.0000 172.3687 558 L 3.3469 8.2565 116.7435 55.3573 38.0303 172.9203 559 R 4.4733 8.4968 119.1059 56.2938 31.3053 176.6643 560 Q 4.4880 7.8276 117.6515 55.9141 29.7253 176.4314 561 L 4.1370 7.7544 119.1974 58.1098 41.9617 178.2175 562 A 4.0311 8.1443 120.8140 55.5214 18.1564 179.1376 563 N 4.3942 8.0431 115.4382 55.8659 38.6816 177.3359 564 E 4.2040 8.0178 120.6957 59.3330 29.7123 179.3525 565 T 3.9381 8.4079 116.3113 66.9301 68.0139 176.8006 566 T 4.0743 8.4576 111.8249 64.5437 68.9381 176.8569 567 Q 4.0435 8.3236 121.2789 58.4780 28.6974 178.2543 568 A 4.0929 8.1038 121.9684 55.3058 18.4736 179.7246 569 L 4.1893 8.0916 117.5217 58.0443 41.6665 179.6138 570 Q 4.0282 8.5453 120.0428 58.9832 28.8988 178.2026 571 L 3.9900 8.0318 120.3252 57.7329 41.5790 179.4365 572 F 4.1350 8.2960 117.8513 60.2898 38.8065 177.4979 573 L 4.0725 8.2503 120.2608 58.1223 41.9165 179.2628 574 R 3.9105 8.1446 117.7842 59.1518 30.0715 178.7442 575 A 4.0080 8.1535 120.8273 55.6123 18.3770 179.9137 576 T 3.9963 8.4776 108.5081 65.1137 68.7913 176.9863 577 T 3.9279 8.1609 118.8588 66.5450 68.3986 176.5538 578 E 4.0195 8.3718 120.5970 59.2782 29.3814 179.3784 579 L 4.0850 8.0395 119.1471 57.7074 41.7760 179.4984 580 R 3.9384 8.2976 118.7602 59.8206 30.1686 178.6970 581 T 3.9086 8.1455 115.5838 66.5857 68.4744 176.4918 582 F 4.3088 8.5733 122.9019 61.4334 39.5018 177.4305 583 S 4.0674 8.6273 114.2392 61.3592 62.6276 176.5585 584 I 3.7520 7.7559 123.4581 64.1504 36.8737 178.2709 585 L 3.9471 7.8361 119.6965 57.7791 41.3239 179.3137 586 N 4.1912 7.8852 116.5347 56.2011 38.3982 177.4359 587 R 3.8500 7.8653 120.2036 59.0446 30.2684 178.3815 588 K 3.8701 8.2309 119.5499 59.5080 32.1796 178.6230 589 A 4.0577 8.0490 120.8903 55.2645 18.2420 179.6881 590 I 3.6959 7.9932 118.4484 64.5976 36.9435 178.2929 591 D 4.5022 8.4961 120.3259 56.6537 41.0349 178.3845 592 F 4.3829 8.1829 120.5667 61.4359 39.2284 176.9711 593 L 3.8945 7.7927 117.0171 57.8678 41.8640 179.0170 594 L 4.4810 8.3084 116.8055 55.3545 41.4048 178.5549 595 Q 4.0003 7.7962 121.2105 59.0377 28.7029 177.7872 596 R 4.3642 7.5593 115.7017 56.1547 30.2092 176.6167 597 W 4.6389 8.1728 114.7029 56.3681 30.2637 176.2331 598 G 3.9986 8.0909 105.5478 44.8822 0.0000 175.4575 599 G 4.0670 9.1400 106.9976 46.1374 0.0000 174.6128 600 T 3.8747 8.7205 118.2340 67.0979 68.3675 177.5921 601 C 4.3437 8.2084 117.4914 60.1090 40.0011 175.4654 602 H 4.0923 8.0825 119.3875 59.0639 29.4769 176.8858 603 I 3.9386 7.5864 120.2191 63.1232 37.4494 177.1011 604 L 4.4700 8.4207 118.2057 54.7119 43.0471 177.2430 605 G 3.8483 8.4500 106.9931 43.9078 0.0000 171.8256 606 P 4.5315 0.0000 0.0000 65.5018 30.8486 177.6226 607 D 4.4148 8.1536 118.6833 56.9632 40.4633 176.9938 608 C 4.3740 8.4658 114.4417 58.0012 41.6410 175.1484 609 A 4.0118 7.9052 122.0712 52.5729 18.5171 177.7174 610 I 3.7618 7.0754 119.2601 61.4798 37.5765 175.2410 611 E 4.7084 8.3822 124.8260 53.4599 32.7369 172.9904 612 P 4.4832 0.0000 0.0000 62.2956 31.9390 176.0832 613 H 4.0616 8.7788 123.3798 55.9398 30.3794 174.3604 614 D 4.5298 7.7468 125.2213 53.2805 40.5713 176.1152 615 W 4.6251 8.5844 126.0799 56.8393 29.1946 177.8413 616 T 3.9874 8.1956 118.7149 67.1062 67.9775 176.2936 617 K 4.0180 8.0482 119.3491 59.6191 32.1483 179.0945 618 N 4.4934 8.2625 116.3032 56.2794 38.4788 177.4881 619 I 3.7725 8.0929 121.2834 64.8010 37.1835 178.6176 620 T 3.8922 8.3185 116.9430 66.6189 68.2132 176.2107 621 D 4.3116 8.2749 120.0983 57.2101 41.2576 178.2617 622 K 4.0316 8.2185 120.2524 59.3234 32.0585 178.9134 623 I 3.7302 8.1301 120.5757 64.5144 36.9511 178.0817 624 D 4.3906 8.3965 119.9155 57.3764 40.5564 178.5817 625 Q 3.9831 8.1827 120.0496 59.2887 28.9767 178.4241 626 I 3.7455 7.7981 120.7586 64.5046 36.9184 178.4996 627 I 3.7726 7.4112 119.3839 64.7202 37.0306 177.7097 628 H 4.3573 8.5334 118.2670 58.6738 29.8169 176.0548 629 D 4.6503 8.8314 118.1016 55.3109 41.2919 176.4468 630 F 4.2870 8.1371 120.1941 56.4175 39.2481 175.6013 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 557 G 8.35 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 0.00 558 L 8.26 3.35 0.00 1.95 1.71 0.93 0.60 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 0.00 559 R 8.50 4.47 0.00 2.08 2.16 0.00 2.98 0.00 0.00 2.93 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 560 Q 7.83 4.49 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 561 L 7.75 4.14 0.00 1.87 1.78 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 562 A 8.14 4.03 1.40 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 0.00 0.00 0.00 563 N 8.04 4.39 0.00 2.83 2.88 0.00 0.00 7.62 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 0.00 564 E 8.02 4.20 0.00 2.23 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 2.41 2.27 0.00 565 T 8.41 3.94 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 1.24 0.00 0.00 566 T 8.46 4.07 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 1.26 0.00 0.00 567 Q 8.32 4.04 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 568 A 8.10 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.19 0.00 1.94 1.80 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 570 Q 8.55 4.03 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 571 L 8.03 3.99 0.00 1.80 1.49 0.83 0.87 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 0.00 572 F 8.30 4.14 0.00 3.29 3.05 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 0.00 573 L 8.25 4.07 0.00 1.92 1.92 1.00 0.87 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 0.00 574 R 8.14 3.91 0.00 2.04 1.96 0.00 3.36 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 575 A 8.15 4.01 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 0.00 576 T 8.48 4.00 4.33 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 1.37 0.00 0.00 577 T 8.16 3.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 578 E 8.37 4.02 0.00 2.19 1.97 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 2.33 2.53 0.00 579 L 8.04 4.08 0.00 1.94 1.80 0.99 0.63 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 0.00 580 R 8.30 3.94 0.00 1.99 2.15 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 581 T 8.15 3.91 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 1.27 0.00 0.00 582 F 8.57 4.31 0.00 3.11 3.28 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 0.00 583 S 8.63 4.07 0.00 4.07 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 0.00 584 I 7.76 3.75 2.02 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 1.53 0.80 0.91 0.00 0.00 585 L 7.84 3.95 0.00 1.80 1.64 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 586 N 7.89 4.19 0.00 2.74 2.72 0.00 0.00 6.61 7.02 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 0.00 587 R 7.87 3.85 0.00 1.92 2.07 0.00 3.28 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 588 K 8.23 3.87 0.00 1.84 1.97 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 589 A 8.05 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.70 2.01 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 1.51 0.78 0.90 0.00 0.00 591 D 8.50 4.50 0.00 2.84 2.80 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 0.00 592 F 8.18 4.38 0.00 3.15 3.32 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 0.00 593 L 7.79 3.89 0.00 1.88 1.78 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 594 L 8.31 4.48 0.00 1.71 1.76 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 595 Q 7.80 4.00 0.00 2.33 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 596 R 7.56 4.36 0.00 1.63 1.63 0.00 3.27 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 597 W 8.17 4.64 0.00 3.32 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 0.00 598 G 8.09 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 0.00 599 G 9.14 4.07 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 0.00 0.00 0.00 600 T 8.72 3.87 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 0.00 601 C 8.21 4.34 0.00 2.99 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 0.00 602 H 8.08 4.09 0.00 3.25 3.60 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 I 7.59 3.94 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.50 0.84 0.00 0.00 604 L 8.42 4.47 0.00 1.56 1.70 0.91 0.84 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 0.00 605 G 8.45 3.85 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 0.00 0.00 0.00 606 P 0.00 4.53 0.00 2.28 2.34 0.00 3.71 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 2.08 2.07 0.00 607 D 8.15 4.41 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.47 4.37 0.00 3.08 3.27 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 0.00 609 A 7.91 4.01 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 0.00 610 I 7.08 3.76 1.99 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 1.20 0.66 0.94 0.00 0.00 611 E 8.38 4.71 0.00 1.87 1.76 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 0.00 2.18 2.30 0.00 612 P 0.00 4.48 0.00 2.14 2.06 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 613 H 8.78 4.06 0.00 2.93 3.02 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 D 7.75 4.53 0.00 2.54 2.38 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 0.00 615 W 8.58 4.63 0.00 3.47 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 0.00 616 T 8.20 3.99 4.28 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 1.24 0.00 0.00 617 K 8.05 4.02 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 618 N 8.26 4.49 0.00 3.13 3.04 0.00 0.00 7.14 7.48 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 0.00 619 I 8.09 3.77 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.00 0.96 0.00 0.00 620 T 8.32 3.89 4.28 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 1.24 0.00 0.00 621 D 8.27 4.31 0.00 2.90 2.89 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 0.00 622 K 8.22 4.03 0.00 2.03 1.92 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 623 I 8.13 3.73 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.94 0.00 0.00 624 D 8.40 4.39 0.00 2.95 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 0.00 625 Q 8.18 3.98 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 626 I 7.80 3.75 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.96 0.00 0.00 627 I 7.41 3.77 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.90 0.00 0.00 628 H 8.53 4.36 0.00 3.26 3.55 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 D 8.83 4.65 0.00 2.73 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 0.00 630 F 8.14 4.29 0.00 3.44 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