NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.3762 0.0000 0.0000 62.4152 32.5377 175.2999 545 L 4.5047 8.4632 124.1180 50.9608 44.6285 174.3387 546 T 4.6800 8.5631 117.6402 59.2243 73.8553 174.2555 547 A 3.9802 8.4932 123.2549 55.7567 18.2435 180.1262 548 S 4.0783 8.0665 112.7618 62.1321 62.7310 176.7898 549 M 4.0454 7.4959 119.4366 58.1515 31.9638 178.2660 550 L 4.0577 8.2594 120.5213 58.3163 42.1254 178.7685 551 A 4.0155 8.2548 119.8514 55.3362 18.3218 179.4969 552 S 4.1400 8.0948 111.4404 59.9912 63.3589 174.6233 553 A 4.4794 7.1920 124.9866 49.9358 19.9009 175.2373 554 P 4.3244 0.0000 0.0000 62.2348 31.9822 176.0683 555 P 3.9063 0.0000 0.0000 65.5827 31.3899 178.1045 556 Q 4.1899 8.0357 114.0416 57.6888 28.9503 176.8600 557 E 4.4246 8.7943 118.9041 57.0820 30.1518 178.0025 558 Q 3.9700 7.7613 118.9987 59.0160 28.8292 178.6418 559 K 3.9449 8.0400 118.8904 59.4797 32.1037 178.9034 560 Q 3.9462 8.0613 119.2238 59.5946 29.0633 177.9962 561 M 4.0937 8.2628 119.7788 58.6007 31.9138 178.8528 562 L 4.2512 7.9214 118.8991 57.5031 41.8825 179.5089 563 G 3.6963 8.4881 106.1450 48.0962 0.0000 175.6012 564 E 4.0526 8.5206 120.2529 58.9525 29.4865 179.1900 565 R 4.2261 7.5144 115.8106 58.4041 30.5979 178.5256 566 L 4.1976 8.1186 119.2386 57.2846 41.7485 178.7114 567 F 4.1252 8.3891 120.7549 61.1222 39.2930 175.3312 568 P 4.0359 0.0000 0.0000 65.5718 31.1697 178.5569 569 L 3.9446 7.7842 117.0887 57.9069 41.6345 179.5462 570 I 3.6673 7.7571 119.7412 64.2903 37.1419 178.2982 571 Q 3.7497 8.2619 120.5462 59.0316 28.5693 178.2039 572 A 4.0572 7.7813 120.7537 55.0283 18.4058 178.9493 573 M 4.3866 7.6131 116.3654 57.1840 33.6736 176.5238 574 H 4.6946 8.4751 118.2604 54.5402 31.4340 171.7379 575 P 4.4874 0.0000 0.0000 64.5615 31.8080 178.3443 576 T 4.0371 7.3927 113.4285 66.2273 68.8199 176.0789 577 L 4.8938 7.6578 119.3458 53.7865 42.8300 178.5827 578 A 4.2086 8.1984 122.2556 54.7847 18.7277 179.6023 579 G 3.7067 8.2550 104.1982 48.2506 0.0000 176.0163 580 K 4.1033 8.0528 121.0936 58.9212 32.1280 179.5140 581 I 3.7258 7.8146 120.2774 64.4997 36.9148 178.5031 582 T 3.9964 8.1053 116.7977 66.6413 68.1298 176.6733 583 G 3.7096 7.7524 105.7782 48.1441 0.0000 175.1488 584 M 4.2213 8.2532 121.3781 58.2857 32.0035 178.8411 585 L 4.0264 8.3710 119.2790 57.8623 41.6061 179.4666 586 L 4.1108 8.0836 117.7601 56.8978 41.5819 178.4909 587 E 4.1003 7.9505 118.5431 57.3911 29.9077 176.8740 588 I 4.0023 7.2035 119.6125 60.8277 38.2289 176.1036 589 D 4.5048 8.5255 122.4422 54.6224 42.5283 177.6464 590 N 4.3310 8.7443 120.9704 56.6571 38.7354 177.7167 591 S 4.1555 8.1226 115.0167 61.7543 62.8355 176.0685 592 E 3.9830 8.1362 122.2418 58.6882 29.4264 178.3934 593 L 3.9907 7.8037 120.3337 57.9744 41.9352 178.8539 594 L 4.0052 8.1808 118.6152 57.8539 41.8794 178.6011 595 H 4.3856 8.2813 118.1651 59.8035 29.6517 177.1235 596 M 4.0465 8.5490 120.6200 58.5365 31.5173 178.7870 597 L 4.0451 8.0067 118.5273 56.7280 41.8239 178.3038 598 E 4.7495 7.7208 113.9596 55.1936 31.1370 176.2925 599 S 4.5058 7.4956 115.8074 55.1034 62.6673 172.0149 600 P 4.2786 0.0000 0.0000 65.2503 31.2220 177.6863 601 E 4.0070 8.0909 115.8818 59.3284 29.6964 179.0754 602 S 4.1317 8.0536 115.6808 61.2787 62.8430 176.2827 603 L 3.9039 7.7844 122.5059 58.3130 41.8666 178.4120 604 R 3.8159 8.0235 118.4858 59.7664 29.8907 177.8144 605 S 4.0758 8.2091 112.3122 61.8493 62.3950 176.8519 606 K 4.3274 8.2029 122.0153 58.7245 31.6252 179.5560 607 V 3.5732 7.9297 118.9288 66.1423 31.3713 177.9092 608 D 4.3165 8.2801 118.6642 57.3444 40.3765 178.4014 609 E 3.9316 8.1918 118.9300 59.4687 29.4683 179.4640 610 A 3.9823 7.9706 120.6318 55.1138 18.2810 179.7065 611 V 3.4877 7.8791 115.8083 66.1776 31.9281 177.6991 612 A 4.1158 8.3510 120.7881 55.1281 17.9519 179.7645 613 V 3.5550 7.3503 115.3724 66.1473 31.7516 178.0516 614 L 4.0367 7.6987 116.8308 55.9991 41.4643 177.1874 615 Q 4.0940 7.6921 122.3363 56.1030 29.1039 173.0612 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 4.38 0.00 2.18 2.14 0.00 3.41 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 1.89 2.08 0.00 545 L 8.46 4.50 0.00 1.64 1.55 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.56 4.68 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 8.49 3.98 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 8.07 4.08 0.00 3.88 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 0.00 549 M 7.50 4.05 0.00 2.00 2.33 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 2.64 2.55 0.00 550 L 8.26 4.06 0.00 1.89 1.84 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.25 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 0.00 552 S 8.09 4.14 0.00 4.04 4.21 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 0.00 0.00 0.00 0.00 553 A 7.19 4.48 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 0.00 554 P 0.00 4.32 0.00 2.19 2.00 0.00 3.76 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 2.12 0.00 555 P 0.00 3.91 0.00 2.17 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 2.09 0.00 556 Q 8.04 4.19 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 557 E 8.79 4.42 0.00 2.04 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 2.25 2.32 0.00 558 Q 7.76 3.97 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 559 K 8.04 3.94 0.00 1.76 1.87 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.45 7.81 560 Q 8.06 3.95 0.00 2.11 2.33 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 2.49 2.45 0.00 561 M 8.26 4.09 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 562 L 7.92 4.25 0.00 1.86 1.72 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 563 G 8.49 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 8.52 4.05 0.00 1.92 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 2.34 2.41 0.00 565 R 7.51 4.23 0.00 1.85 2.00 0.00 3.33 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 566 L 8.12 4.20 0.00 1.75 1.75 0.97 0.86 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 0.00 567 F 8.39 4.13 0.00 3.18 3.09 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 0.00 0.00 0.00 568 P 0.00 4.04 0.00 2.20 2.11 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 569 L 7.78 3.94 0.00 1.83 1.68 0.91 0.84 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 0.00 570 I 7.76 3.67 1.88 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 1.38 0.71 0.88 0.00 0.00 571 Q 8.26 3.75 0.00 1.12 1.77 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 2.17 2.19 0.00 572 A 7.78 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.39 0.00 2.02 2.21 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 2.73 2.51 0.00 574 H 8.48 4.69 0.00 3.11 3.09 0.00 5.79 0.00 0.00 0.00 0.00 6.78 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 4.49 0.00 2.04 2.06 0.00 3.68 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 576 T 7.39 4.04 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 577 L 7.66 4.89 0.00 1.69 1.62 0.95 0.86 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 0.00 578 A 8.20 4.21 1.26 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 0.00 0.00 0.00 579 G 8.25 3.71 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 0.00 0.00 0.00 580 K 8.05 4.10 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 581 I 7.81 3.73 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.90 0.00 0.00 582 T 8.11 4.00 4.50 0.00 0.00 0.00 0.00 0.00 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 7.75 3.71 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 0.00 0.00 0.00 584 M 8.25 4.22 0.00 2.07 2.35 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 2.83 2.59 0.00 585 L 8.37 4.03 0.00 1.95 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 586 L 8.08 4.11 0.00 1.77 1.74 0.93 1.06 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 0.00 587 E 7.95 4.10 0.00 2.11 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 2.32 2.39 0.00 588 I 7.20 4.00 1.98 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 1.30 0.73 0.92 0.00 0.00 589 D 8.53 4.50 0.00 2.68 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 8.74 4.33 0.00 2.73 2.88 0.00 0.00 6.78 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 8.12 4.16 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 592 E 8.14 3.98 0.00 2.10 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 2.38 2.44 0.00 593 L 7.80 3.99 0.00 2.17 1.69 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 594 L 8.18 4.01 0.00 1.80 1.73 0.93 0.99 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 0.00 595 H 8.28 4.39 0.00 3.20 3.43 0.00 5.60 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 0.00 596 M 8.55 4.05 0.00 2.06 2.23 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 2.81 2.62 0.00 597 L 8.01 4.05 0.00 1.80 1.73 0.93 0.77 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 0.00 598 E 7.72 4.75 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 2.19 2.41 0.00 599 S 7.50 4.51 0.00 3.63 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 2.18 2.08 0.00 3.62 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 2.10 2.14 0.00 601 E 8.09 4.01 0.00 2.19 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 0.00 2.36 2.40 0.00 602 S 8.05 4.13 0.00 4.04 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 0.00 603 L 7.78 3.90 0.00 1.95 1.81 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 604 R 8.02 3.82 0.00 1.96 2.07 0.00 3.23 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 605 S 8.21 4.08 0.00 3.94 4.10 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 0.00 606 K 8.20 4.33 0.00 2.16 1.84 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.35 7.81 607 V 7.93 3.57 2.26 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 1.07 0.00 0.00 0.97 0.00 0.00 608 D 8.28 4.32 0.00 2.87 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 0.00 609 E 8.19 3.93 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 2.33 2.42 0.00 610 A 7.97 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 0.00 611 V 7.88 3.49 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 0.83 0.00 0.00 0.74 0.00 0.00 612 A 8.35 4.12 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 7.35 3.56 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 0.87 0.00 0.00 0.95 0.00 0.00 614 L 7.70 4.04 0.00 1.83 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 615 Q 7.69 4.09 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00