NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.3353 0.0000 0.0000 62.3453 32.6371 176.0275 545 L 4.3429 8.3232 124.9972 51.4412 42.1582 174.4387 546 T 4.5000 8.1844 117.4799 59.7034 73.2251 174.6823 547 A 4.0309 8.4775 123.4947 55.3472 18.3052 180.3087 548 S 4.0574 7.9308 112.2346 62.0412 63.2342 176.5522 549 M 4.1809 7.7188 122.6351 57.0118 31.7603 178.3674 550 L 4.0745 7.9535 120.4574 58.1828 42.1443 178.8970 551 A 4.0495 7.7530 119.5546 54.8278 18.4815 178.8473 552 S 4.3314 8.1089 110.4120 58.2444 63.5018 173.4673 553 A 4.8123 6.9074 125.7266 49.7931 21.0663 175.8552 554 P 4.4185 0.0000 0.0000 61.9954 33.0722 175.9525 555 P 4.4171 0.0000 0.0000 66.1579 31.2254 179.0430 556 Q 4.0251 8.0049 115.7166 58.9827 28.7642 177.8997 557 E 3.8828 8.0978 120.8644 59.1445 29.8152 178.2467 558 Q 4.0113 8.0614 118.1705 59.3162 28.8296 179.6762 559 K 4.0102 7.6964 118.7191 59.4942 32.1278 179.3255 560 Q 4.1018 8.2575 119.9975 59.2189 28.6408 178.2079 561 M 4.0784 8.6765 120.2531 58.3650 31.9911 178.6673 562 L 4.1867 8.1631 119.3117 57.5154 41.6729 179.4848 563 G 3.8831 8.4752 106.1786 48.3399 0.0000 175.5678 564 E 4.1040 8.0491 119.4874 58.6631 29.8185 179.1520 565 R 4.2221 7.7277 116.8393 58.4043 30.3517 178.4134 566 L 4.1667 8.1465 120.2823 57.4647 42.1691 178.5541 567 F 4.3142 8.9195 122.7245 60.2863 39.4644 175.2293 568 P 4.0543 0.0000 0.0000 65.6821 30.9811 177.7311 569 L 3.8730 7.4641 118.9326 58.2030 41.9987 179.1907 570 I 3.6491 7.9659 119.8718 64.2469 36.7928 177.9085 571 Q 3.6974 7.9525 119.5160 59.4539 28.7433 178.5957 572 A 4.0672 7.7526 120.2828 54.9849 18.4667 178.8940 573 M 4.3019 7.6177 115.8106 57.0141 34.1077 176.7027 574 H 4.7257 8.3084 116.3864 54.6274 32.2425 172.0203 575 P 4.2728 0.0000 0.0000 65.2666 31.2068 178.6626 576 T 3.8320 6.6536 114.0323 65.7784 69.0291 175.2937 577 L 4.7535 7.5645 120.0964 54.0489 43.2171 178.8450 578 A 4.0761 7.8449 122.4982 55.6301 18.5373 179.9053 579 G 3.8951 8.3831 103.4312 48.0885 0.0000 175.8601 580 K 4.0993 8.0677 120.2624 59.2139 32.0946 179.4376 581 I 3.7278 8.2332 120.6245 64.5637 36.8909 178.5839 582 T 4.0045 8.4906 117.1557 66.6426 68.1315 176.6769 583 G 3.7958 7.9144 106.1804 48.2396 0.0000 175.3092 584 M 4.2247 8.0453 120.9095 58.2794 32.0796 178.8351 585 L 3.9774 8.2719 119.3534 57.8802 41.5309 179.5171 586 L 4.1269 7.8886 117.5831 56.9727 41.6368 178.6988 587 E 4.0866 8.1128 118.1478 57.7569 29.6592 177.5469 588 I 3.8431 6.9972 119.7742 60.4542 38.0049 175.6987 589 D 4.3006 8.7739 121.6124 55.1078 41.7108 176.7734 590 N 4.2215 9.0282 125.0260 56.9569 38.6768 177.3356 591 S 4.2024 8.0267 114.6293 61.2907 63.1533 175.7896 592 E 3.9525 8.1513 122.4731 59.1221 29.3751 178.6160 593 L 3.9944 8.4144 119.3832 57.5679 41.7022 179.2685 594 L 3.9110 8.3732 120.5664 58.5164 41.8860 178.2917 595 H 4.5482 8.3166 118.4301 59.0437 29.9842 176.6610 596 M 4.1252 8.2056 120.2916 58.2045 31.5606 178.3824 597 L 3.9638 7.8334 118.1689 58.2491 42.1174 179.5033 598 E 4.2097 8.1864 117.6027 57.7243 30.3049 176.2860 599 S 4.7859 7.3818 113.7625 55.3243 62.2357 172.7882 600 P 4.1523 0.0000 0.0000 65.0875 32.1200 178.0131 601 E 3.9321 8.6106 118.6381 60.0441 29.8814 179.0180 602 S 4.0341 7.7895 114.9991 61.5813 63.2502 176.6083 603 L 3.9352 7.8051 121.3584 58.4839 41.5108 179.1851 604 R 3.9557 8.1255 118.1677 59.3050 30.0087 179.0119 605 S 4.2257 7.9241 113.8844 60.8921 63.3063 176.6893 606 K 4.2476 7.9155 123.0810 58.7230 31.7651 179.2310 607 V 3.5374 7.8369 118.4673 66.2252 31.4121 177.9311 608 D 4.3311 7.8756 118.6935 57.1309 40.2535 178.6512 609 E 3.9188 8.2170 119.0780 59.4014 29.5288 179.1891 610 A 3.9909 8.4883 121.0925 55.0532 18.3999 179.8586 611 V 3.4674 7.9652 116.7076 65.9611 31.3985 177.8057 612 A 3.9600 7.9174 119.5391 55.5454 18.2755 179.4314 613 V 3.6704 7.5258 114.9313 66.2303 31.5812 177.9254 614 L 4.1467 7.7465 117.9908 57.4331 41.5605 177.3542 615 Q 4.2509 8.4231 123.6097 56.3687 29.1767 175.3611 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 544 P 0.00 4.34 0.00 2.06 2.06 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 545 L 8.32 4.34 0.00 1.65 1.56 0.93 0.67 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 0.00 546 T 8.18 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 547 A 8.48 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.06 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 0.00 549 M 7.72 4.18 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.41 0.00 550 L 7.95 4.07 0.00 1.79 1.80 0.97 1.10 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 0.00 551 A 7.75 4.05 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 0.00 552 S 8.11 4.33 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.91 4.81 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 0.00 554 P 0.00 4.42 0.00 2.16 1.99 0.00 3.80 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 2.11 2.18 0.00 555 P 0.00 4.42 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 556 Q 8.00 4.03 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 557 E 8.10 3.88 0.00 2.05 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 0.00 2.37 2.39 0.00 558 Q 8.06 4.01 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 559 K 7.70 4.01 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.59 7.81 560 Q 8.26 4.10 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 561 M 8.68 4.08 0.00 2.05 2.10 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 2.88 2.58 0.00 562 L 8.16 4.19 0.00 1.71 1.74 0.96 0.72 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 0.00 563 G 8.48 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 E 8.05 4.10 0.00 2.12 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 2.36 2.53 0.00 565 R 7.73 4.22 0.00 2.08 1.98 0.00 3.18 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 566 L 8.15 4.17 0.00 2.01 1.72 0.96 1.02 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 8.92 4.31 0.00 3.18 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 0.00 568 P 0.00 4.05 0.00 2.29 2.34 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 569 L 7.46 3.87 0.00 2.10 1.74 0.98 0.95 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 0.00 570 I 7.97 3.65 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.68 0.87 0.00 0.00 571 Q 7.95 3.70 0.00 1.41 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 572 A 7.75 4.07 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 0.00 573 M 7.62 4.30 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00 574 H 8.31 4.73 0.00 3.05 3.08 0.00 5.59 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 4.27 0.00 2.22 2.32 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 576 T 6.65 3.83 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 1.22 0.00 0.00 577 L 7.56 4.75 0.00 1.66 1.68 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 578 A 7.84 4.08 1.23 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 0.00 579 G 8.38 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 0.00 0.00 0.00 580 K 8.07 4.10 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 581 I 8.23 3.73 2.00 0.00 0.00 0.72 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 0.77 0.89 0.00 0.00 582 T 8.49 4.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 583 G 7.91 3.80 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 0.00 584 M 8.05 4.22 0.00 2.10 2.25 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 2.85 2.58 0.00 585 L 8.27 3.98 0.00 1.95 1.75 0.98 0.53 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 0.00 586 L 7.89 4.13 0.00 1.79 1.74 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 587 E 8.11 4.09 0.00 2.02 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 2.48 2.51 0.00 588 I 7.00 3.84 1.96 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 1.19 0.62 0.92 0.00 0.00 589 D 8.77 4.30 0.00 2.70 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 9.03 4.22 0.00 2.85 2.89 0.00 0.00 6.86 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 8.03 4.20 0.00 4.05 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 8.15 3.95 0.00 2.10 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 2.37 2.35 0.00 593 L 8.41 3.99 0.00 1.93 1.72 1.00 0.55 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 0.00 594 L 8.37 3.91 0.00 1.86 1.88 0.93 0.98 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 0.00 595 H 8.32 4.55 0.00 3.14 3.58 0.00 5.66 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 0.00 596 M 8.21 4.13 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 597 L 7.83 3.96 0.00 1.77 1.75 0.93 1.13 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 0.00 598 E 8.19 4.21 0.00 2.16 1.98 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 2.33 2.32 0.00 599 S 7.38 4.79 0.00 3.68 3.64 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 0.00 600 P 0.00 4.15 0.00 2.14 2.04 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 601 E 8.61 3.93 0.00 1.96 1.93 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 2.37 2.28 0.00 602 S 7.79 4.03 0.00 4.22 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 7.81 3.94 0.00 1.79 1.72 0.92 0.92 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 0.00 604 R 8.13 3.96 0.00 2.10 1.97 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 605 S 7.92 4.23 0.00 3.99 4.11 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 0.00 0.00 0.00 606 K 7.92 4.25 0.00 2.01 1.90 0.00 2.05 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.42 7.81 607 V 7.84 3.54 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 1.05 0.00 0.00 0.94 0.00 0.00 608 D 7.88 4.33 0.00 2.68 2.70 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 0.00 609 E 8.22 3.92 0.00 2.20 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 2.33 2.33 0.00 610 A 8.49 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.47 2.21 0.00 0.00 0.00 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 0.87 0.00 0.00 612 A 7.92 3.96 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 0.00 613 V 7.53 3.67 2.27 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 0.87 0.00 0.00 0.96 0.00 0.00 614 L 7.75 4.15 0.00 1.82 1.72 0.92 0.74 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 0.00 615 Q 8.42 4.25 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00