NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4489 8.3344 115.4144 58.3774 63.8566 174.0984 603 Q 3.7380 8.9390 118.2921 57.8397 29.0823 175.8422 604 W 4.4342 8.3748 114.0361 55.8599 31.1258 175.5318 605 G 4.2330 8.1922 111.6631 45.4129 0.0000 174.5331 606 S 4.8629 7.3916 112.6647 54.9928 67.8801 174.8490 607 G 3.5762 8.4448 107.8040 47.2895 0.0000 175.9423 608 K 2.7871 7.4830 121.5965 58.9306 32.0873 178.2955 609 N 4.3018 7.8176 117.6508 56.4026 38.8446 176.6994 610 L 3.2928 7.5951 121.8692 58.0838 42.0519 178.3326 611 Y 4.0051 7.8764 119.4877 60.7833 38.5049 177.8021 612 D 4.0464 7.9923 118.9265 57.1554 41.0492 178.4782 613 K 4.2605 8.0121 117.8597 58.6063 32.3733 176.4947 614 V 4.2011 7.7141 116.0061 63.7274 34.7540 176.9457 615 C 4.1076 7.7959 116.1230 62.9938 28.4307 176.5548 616 G 3.0480 8.0069 107.0786 47.2306 0.0000 175.1598 617 H 4.2902 7.6160 117.6039 58.0339 28.8907 176.3395 618 C 4.6413 7.8974 117.1755 60.7945 29.9354 175.1807 619 H 4.6554 8.0751 115.6971 56.7696 29.2745 176.1182 620 K 4.2503 7.7719 119.7980 55.6522 32.4479 176.0129 621 P 4.3154 0.0000 0.0000 65.9778 31.3935 177.8665 622 E 4.0611 8.1073 116.0639 58.7644 29.2100 177.6799 623 V 3.7439 7.3404 118.8998 62.5359 32.0176 176.8008 624 G 3.8720 7.9689 107.2523 46.5861 0.0000 174.7222 625 V 3.7307 8.0639 121.5501 64.1896 31.8790 175.8926 626 G 4.2150 7.5759 106.4928 42.2372 0.0000 170.6115 627 P 4.4718 0.0000 0.0000 61.9145 31.9958 176.5638 628 V 3.7471 8.3344 119.9209 63.4855 31.7407 175.7816 629 L 4.5637 8.3744 125.1049 54.4749 43.1652 176.3373 630 E 3.7585 8.1612 119.3548 56.9359 29.4314 176.6568 631 G 3.8345 8.5203 114.3548 46.9828 0.0000 174.0349 632 R 4.3073 8.1326 116.8500 54.6908 31.1006 176.6329 633 G 3.9038 7.9158 105.4929 46.2691 0.0000 173.9751 634 L 4.1585 7.9514 119.3571 53.2103 42.5405 176.3006 635 P 4.3558 0.0000 0.0000 62.5659 33.1022 177.0353 636 E 3.9440 8.9532 121.8267 59.5954 29.0598 179.1641 637 A 4.0859 7.9798 120.1561 54.7926 18.4729 178.8849 638 Y 4.1549 7.8199 117.9382 60.9322 39.1271 177.5186 639 I 3.4602 7.7581 120.7670 64.1899 37.0094 178.3718 640 K 3.9809 8.0352 120.4880 59.3899 31.9569 178.7025 641 D 4.3527 7.5746 118.2529 57.1908 40.7978 178.8021 642 I 3.6538 7.3806 120.4291 64.2382 37.0152 178.6875 643 V 3.8225 7.7227 119.1574 65.9007 31.1309 178.2963 644 R 4.0433 7.7239 117.0393 58.5658 30.0977 177.8235 645 N 4.6301 8.3583 115.0734 52.1383 39.6132 176.3366 646 G 4.0720 8.2691 105.6569 45.7662 0.0000 172.9723 647 F 4.8493 8.0470 121.0943 56.4263 42.4759 177.6294 648 R 3.4792 9.0563 129.6623 57.0993 28.8351 178.0538 649 A 4.0014 8.9067 129.5113 55.3397 19.1650 179.0963 650 M 4.2167 8.0764 117.5322 54.5619 32.8231 174.0788 651 P 4.4670 0.0000 0.0000 62.5173 32.8717 174.8961 652 A 4.8810 8.0837 121.4742 50.3468 21.0815 176.1784 653 F 4.7310 8.7473 119.7758 54.9957 41.4655 174.3212 654 P 4.5873 0.0000 0.0000 61.7265 31.5305 177.1550 655 A 4.4889 8.9203 122.7329 54.9106 17.8985 180.1035 656 S 4.3141 8.2026 111.4921 61.0114 63.1071 175.4275 657 Y 4.5773 7.3832 122.8632 58.2029 39.2894 175.5883 658 V 4.8350 8.1371 123.0348 60.4120 33.6318 174.6668 659 D 4.7913 9.2478 128.2001 52.6687 41.8430 176.6827 660 D 4.4209 8.7054 119.7211 57.8653 40.7644 178.9562 661 E 4.0077 8.1865 119.0072 59.4144 29.6909 178.8608 662 S 4.3221 8.2635 115.0168 61.2250 62.9104 176.5960 663 L 4.0296 7.9319 121.6959 57.8583 41.4314 179.5690 664 T 3.8935 7.8484 115.3743 66.7558 68.4306 176.8143 665 Q 4.0671 7.9887 119.8115 58.9252 28.7606 179.2146 666 V 3.7552 7.9405 120.0627 64.5166 31.4789 178.4124 667 A 3.9591 8.0627 121.6306 54.9952 17.8216 179.2520 668 E 3.8974 8.1478 117.6658 59.4959 28.3375 178.4147 669 Y 4.1072 8.1628 119.7012 60.6369 38.7598 177.8917 670 L 3.7594 7.9561 119.9802 57.6410 41.4278 179.6537 671 S 4.0608 7.6271 114.3452 61.1763 62.8635 176.2228 672 S 4.2408 7.4649 114.6265 59.0008 63.2741 174.3656 673 L 4.3278 6.1489 120.4261 52.7821 42.7186 174.6134 674 P 4.4071 0.0000 0.0000 62.1159 32.3545 176.2550 675 A 4.2813 8.3553 121.6576 52.6741 18.3174 177.5355 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 602 S 8.33 4.45 0.00 4.03 4.04 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 0.00 603 Q 8.94 3.74 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 1.85 2.26 0.00 604 W 8.37 4.43 0.00 3.29 3.20 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 0.00 0.00 0.00 605 G 8.19 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 S 7.39 4.86 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 G 8.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 2.79 0.00 0.94 1.48 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.01 7.81 609 N 7.82 4.30 0.00 2.84 3.17 0.00 0.00 6.81 6.63 0.00 0.00 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 L 7.60 3.29 0.00 1.47 1.62 -0.41 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.88 4.01 0.00 3.21 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 0.00 612 D 7.99 4.05 0.00 2.72 2.66 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 0.00 613 K 8.01 4.26 0.00 1.74 2.07 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.81 1.88 7.81 614 V 7.71 4.20 1.61 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 0.52 0.00 0.00 0.47 0.00 0.00 615 C 7.80 4.11 0.00 3.02 3.03 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 0.00 616 G 8.01 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 0.00 0.00 0.00 617 H 7.62 4.29 0.00 3.23 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 C 7.90 4.64 0.00 2.83 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 0.00 619 H 8.08 4.66 0.00 3.37 3.51 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 K 7.77 4.25 0.00 1.93 2.07 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.55 1.24 7.81 621 P 0.00 4.32 0.00 2.07 2.17 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 622 E 8.11 4.06 0.00 1.94 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 2.33 2.37 0.00 623 V 7.34 3.74 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 0.79 0.00 0.00 0.96 0.00 0.00 624 G 7.97 3.87 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 0.00 0.00 0.00 625 V 8.06 3.73 2.17 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 0.78 0.00 0.00 0.92 0.00 0.00 626 G 7.58 4.22 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 0.00 627 P 0.00 4.47 0.00 2.27 2.14 0.00 3.92 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 2.12 2.07 0.00 628 V 8.33 3.75 2.11 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 0.84 0.00 0.00 0.97 0.00 0.00 629 L 8.37 4.56 0.00 1.60 1.60 0.78 0.95 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 0.00 630 E 8.16 3.76 0.00 1.91 1.78 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 2.02 2.27 0.00 631 G 8.52 3.83 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 0.00 0.00 0.00 632 R 8.13 4.31 0.00 1.92 1.94 0.00 3.36 0.00 0.00 3.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 633 G 7.92 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 0.00 634 L 7.95 4.16 0.00 1.69 1.78 1.00 1.14 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 0.00 635 P 0.00 4.36 0.00 2.22 1.99 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 636 E 8.95 3.94 0.00 2.04 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 2.39 2.40 0.00 637 A 7.98 4.09 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 0.00 638 Y 7.82 4.15 0.00 3.04 3.16 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 0.00 639 I 7.76 3.46 1.84 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 1.34 0.65 0.86 0.00 0.00 640 K 8.04 3.98 0.00 2.10 1.79 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 641 D 7.57 4.35 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 642 I 7.38 3.65 1.54 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.10 0.89 0.00 0.00 643 V 7.72 3.82 2.08 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 1.09 0.00 0.00 0.93 0.00 0.00 644 R 7.72 4.04 0.00 1.87 1.99 0.00 3.41 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 645 N 8.36 4.63 0.00 2.88 2.90 0.00 0.00 7.15 7.26 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 0.00 646 G 8.27 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 0.00 647 F 8.05 4.85 0.00 3.08 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 0.00 648 R 9.06 3.48 0.00 1.41 1.30 0.00 2.79 0.00 0.00 2.96 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 649 A 8.91 4.00 1.21 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 0.00 0.00 650 M 8.08 4.22 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 651 P 0.00 4.47 0.00 1.56 1.81 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 652 A 8.08 4.88 1.24 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 0.00 0.00 0.00 653 F 8.75 4.73 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 P 0.00 4.59 0.00 2.32 2.06 0.00 3.81 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 2.19 2.13 0.00 655 A 8.92 4.49 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 0.00 656 S 8.20 4.31 0.00 4.08 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 0.00 657 Y 7.38 4.58 0.00 3.41 3.31 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 0.00 658 V 8.14 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.76 0.00 0.00 659 D 9.25 4.79 0.00 2.99 2.99 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 0.00 0.00 0.00 660 D 8.71 4.42 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 E 8.19 4.01 0.00 2.07 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 2.41 2.43 0.00 662 S 8.26 4.32 0.00 4.19 4.01 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 0.00 0.00 0.00 663 L 7.93 4.03 0.00 1.93 1.71 0.93 0.40 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 0.00 664 T 7.85 3.89 4.43 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 1.28 0.00 0.00 665 Q 7.99 4.07 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 666 V 7.94 3.76 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 0.86 0.00 0.00 1.02 0.00 0.00 667 A 8.06 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 E 8.15 3.90 0.00 2.29 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 0.00 2.32 2.32 0.00 669 Y 8.16 4.11 0.00 3.13 3.04 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 0.00 670 L 7.96 3.76 0.00 1.92 1.53 0.20 0.65 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 0.00 671 S 7.63 4.06 0.00 3.78 3.87 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 0.00 672 S 7.46 4.24 0.00 3.97 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 0.00 673 L 6.15 4.33 0.00 1.34 1.42 0.38 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.41 0.00 2.14 2.01 0.00 3.68 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 1.94 1.92 0.00 675 A 8.36 4.28 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