NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4134 8.3344 115.2872 57.8547 63.5881 173.4925 603 Q 3.7408 8.7588 126.5232 57.7294 28.9904 175.4108 604 W 4.5695 8.1507 113.6198 55.6037 31.8548 175.0930 605 G 4.3888 9.8830 111.9075 45.6853 0.0000 174.3369 606 S 4.8270 7.4292 113.3471 55.3587 67.1618 175.1001 607 G 3.5690 8.5425 109.0419 47.7978 0.0000 175.8926 608 K 2.9110 7.4074 121.4359 58.8308 32.0377 178.3294 609 N 4.2891 7.9361 117.0247 56.3917 38.8185 176.6461 610 L 3.2896 7.8341 121.8422 57.9976 41.5857 178.3167 611 Y 4.0287 7.9605 119.3903 60.9309 38.5500 177.8774 612 D 4.1687 8.1802 118.8338 57.0144 40.9991 178.3680 613 K 4.3235 8.0643 117.6255 58.0389 32.7693 176.6169 614 V 4.1522 7.9116 116.4640 62.7719 34.2052 176.7188 615 C 4.0499 8.1259 115.9960 63.2041 28.6230 176.3848 616 G 2.9014 8.2011 107.6085 47.6061 0.0000 175.2043 617 H 4.2487 7.6669 116.7564 57.9753 28.7945 176.3602 618 C 4.6442 7.8610 117.0861 61.0096 30.0333 175.2372 619 H 4.4917 8.3671 116.0161 56.8653 29.2317 176.1563 620 K 4.2377 7.7193 119.1371 55.2126 32.5471 175.7561 621 P 4.2872 0.0000 0.0000 65.8476 31.2827 177.8704 622 E 4.0612 8.1278 113.5965 58.6783 29.6258 178.0806 623 V 3.6533 7.6944 119.8161 64.8401 31.8536 177.0986 624 G 3.9228 8.1545 105.4585 45.9161 0.0000 174.3846 625 V 3.6603 7.9750 120.9247 64.6171 31.7251 176.1637 626 G 4.1081 7.6429 106.5935 42.2305 0.0000 170.7492 627 P 4.4847 0.0000 0.0000 61.9811 31.9630 176.4889 628 V 3.8163 8.2722 119.5621 63.2591 31.8593 175.7478 629 L 4.6294 8.3394 124.8497 54.6428 43.6683 176.7211 630 E 3.7380 8.1492 119.7989 57.2218 29.6461 177.0868 631 G 3.8716 8.6447 113.0203 46.9871 0.0000 174.1634 632 R 4.2597 7.9506 116.4379 54.8172 30.6791 177.2451 633 G 4.1342 8.0096 105.2871 46.1648 0.0000 173.7951 634 L 4.0972 7.2152 119.9034 53.4268 42.1883 176.4109 635 P 4.4202 0.0000 0.0000 62.1776 33.2602 176.9665 636 E 3.9224 8.8738 121.4021 59.5621 29.5504 179.1588 637 A 3.9875 8.0156 120.1895 55.3353 18.3773 178.8633 638 Y 4.0797 7.9708 117.4542 60.8603 38.9452 177.9335 639 I 3.5048 7.7887 120.7490 64.3412 37.1381 178.5781 640 K 3.9432 8.2373 119.3972 59.4668 31.8802 179.1363 641 D 4.3028 8.0453 119.0802 57.4829 40.7003 178.9790 642 I 3.5380 7.5795 120.4422 64.2705 36.9398 178.7762 643 V 3.6733 7.9099 119.2325 66.0973 31.1579 178.3909 644 R 3.9835 8.1565 117.1834 58.9703 30.0149 178.0916 645 N 4.6346 8.2780 115.0116 52.4259 39.1704 176.6081 646 G 3.9728 9.4220 104.9536 45.6265 0.0000 173.2891 647 F 4.8083 9.1499 121.0032 57.8953 41.8086 176.4717 648 R 3.5704 8.5583 130.3466 56.8688 29.1338 179.5065 649 A 3.9892 8.8064 130.9550 55.4496 18.7928 178.4565 650 M 4.2833 8.1622 117.7346 54.2102 32.9071 174.0225 651 P 4.7587 0.0000 0.0000 62.7415 32.5954 175.2272 652 A 4.8616 8.1083 121.7108 50.6944 21.1968 176.4533 653 F 4.5887 8.8330 118.0056 54.9359 41.9599 174.0798 654 P 4.5347 0.0000 0.0000 61.9196 31.5691 177.3041 655 A 4.5813 8.8961 123.1079 54.7418 17.9476 180.1780 656 S 4.2564 8.2148 111.6542 60.9875 63.1749 175.2199 657 Y 4.6429 8.0596 122.3837 58.1647 39.4402 175.4737 658 V 4.8239 7.5971 118.4792 60.3034 33.4014 174.2902 659 D 4.8870 10.2507 129.4504 52.6269 41.6518 176.7342 660 D 4.4045 8.6409 119.3026 57.6208 40.7577 178.7061 661 E 3.9690 8.2287 119.1115 59.6041 29.5995 178.9787 662 S 4.4140 8.8089 115.2916 61.5402 62.8154 176.7180 663 L 3.9852 7.8343 121.4821 57.8477 41.3225 179.5484 664 T 3.8749 8.0805 115.7785 66.7634 68.3394 176.6909 665 Q 4.0370 8.2311 120.1202 59.0058 28.7520 179.3149 666 V 3.6872 8.1850 120.2596 64.5263 31.3952 178.2810 667 A 3.9452 8.1772 121.5205 55.1269 18.0463 179.5009 668 E 3.8963 7.9590 115.7501 59.5213 29.9488 178.6639 669 Y 4.2342 8.3260 119.8668 60.8346 38.9021 178.1565 670 L 3.4865 8.1786 120.1899 57.8506 41.4547 179.8306 671 S 4.2303 7.7750 114.2380 61.0850 62.7968 176.2914 672 S 4.2403 7.4433 115.2578 59.2664 63.3985 174.6534 673 L 4.1606 6.7595 122.8367 53.2397 42.3975 174.3175 674 P 4.3909 0.0000 0.0000 61.9796 32.2473 175.9648 675 A 4.3542 8.1957 123.0886 50.8031 18.8371 176.0048 676 P 4.4195 0.0000 0.0000 63.0628 31.3568 176.3057 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 4.41 0.00 3.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 Q 8.76 3.74 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 1.69 2.20 0.00 604 W 8.15 4.57 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 9.88 4.39 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 0.00 606 S 7.43 4.83 0.00 3.95 3.91 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 0.00 607 G 8.54 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 K 7.41 2.91 0.00 0.79 1.41 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.13 7.81 609 N 7.94 4.29 0.00 2.93 3.17 0.00 0.00 6.82 6.24 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 0.00 610 L 7.83 3.29 0.00 1.50 1.62 -0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.96 4.03 0.00 3.16 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 0.00 612 D 8.18 4.17 0.00 2.75 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 8.06 4.32 0.00 1.68 2.08 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.85 1.87 7.81 614 V 7.91 4.15 1.62 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 0.41 0.00 0.00 0.35 0.00 0.00 615 C 8.13 4.05 0.00 3.10 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 0.00 616 G 8.20 2.90 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 0.00 617 H 7.67 4.25 0.00 3.28 3.33 0.00 5.60 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 7.86 4.64 0.00 2.85 2.79 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 0.00 619 H 8.37 4.49 0.00 3.37 3.52 0.00 5.67 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 7.72 4.24 0.00 1.88 1.92 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.54 1.10 7.81 621 P 0.00 4.29 0.00 2.06 2.17 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 622 E 8.13 4.06 0.00 2.08 2.10 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 2.28 2.25 0.00 623 V 7.69 3.65 2.18 0.00 0.00 0.00 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 0.97 0.00 0.00 624 G 8.15 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 0.00 0.00 0.00 625 V 7.98 3.66 2.18 0.00 0.00 0.00 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 0.91 0.00 0.00 626 G 7.64 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 0.00 0.00 0.00 627 P 0.00 4.48 0.00 2.28 2.15 0.00 3.91 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 2.15 2.09 0.00 628 V 8.27 3.82 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 0.87 0.00 0.00 0.97 0.00 0.00 629 L 8.34 4.63 0.00 1.59 1.61 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 630 E 8.15 3.74 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 631 G 8.64 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 0.00 632 R 7.95 4.26 0.00 1.94 1.93 0.00 3.43 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 633 G 8.01 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 0.00 0.00 0.00 634 L 7.22 4.10 0.00 1.81 1.77 0.98 0.98 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 0.00 635 P 0.00 4.42 0.00 2.20 1.97 0.00 3.62 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 2.06 2.11 0.00 636 E 8.87 3.92 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 8.02 3.99 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 7.97 4.08 0.00 2.99 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 0.00 639 I 7.79 3.50 2.00 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 1.50 0.58 0.86 0.00 0.00 640 K 8.24 3.94 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.64 7.81 641 D 8.05 4.30 0.00 2.83 2.61 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 0.00 642 I 7.58 3.54 1.53 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.15 0.86 0.00 0.00 643 V 7.91 3.67 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 1.20 0.00 0.00 0.90 0.00 0.00 644 R 8.16 3.98 0.00 1.88 2.00 0.00 3.41 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 645 N 8.28 4.63 0.00 2.85 2.90 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 G 9.42 3.97 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 0.00 0.00 0.00 647 F 9.15 4.81 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 R 8.56 3.57 0.00 1.25 0.87 0.00 2.48 0.00 0.00 2.93 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 0.00 649 A 8.81 3.99 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 8.16 4.28 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 651 P 0.00 4.76 0.00 1.67 1.87 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 652 A 8.11 4.86 1.28 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 0.00 0.00 653 F 8.83 4.59 0.00 2.83 2.95 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 0.00 0.00 0.00 654 P 0.00 4.53 0.00 2.32 2.04 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 655 A 8.90 4.58 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 8.21 4.26 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 8.06 4.64 0.00 3.24 3.36 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 0.00 658 V 7.60 4.82 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 0.89 0.00 0.00 0.86 0.00 0.00 659 D 10.25 4.89 0.00 2.98 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 8.64 4.40 0.00 2.74 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 0.00 661 E 8.23 3.97 0.00 2.06 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 2.42 2.44 0.00 662 S 8.81 4.41 0.00 4.23 4.02 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 0.00 0.00 0.00 663 L 7.83 3.99 0.00 1.97 1.71 0.87 0.54 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 0.00 664 T 8.08 3.87 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 1.29 0.00 0.00 665 Q 8.23 4.04 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 666 V 8.19 3.69 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 0.95 0.00 0.00 1.00 0.00 0.00 667 A 8.18 3.95 1.43 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 0.00 0.00 0.00 668 E 7.96 3.90 0.00 2.15 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 2.35 2.43 0.00 669 Y 8.33 4.23 0.00 3.04 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 0.00 670 L 8.18 3.49 0.00 1.54 1.66 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 671 S 7.77 4.23 0.00 3.93 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 7.44 4.24 0.00 4.00 4.05 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 0.00 673 L 6.76 4.16 0.00 1.57 1.42 0.38 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.39 0.00 2.14 2.00 0.00 3.67 0.00 0.00 3.59 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 8.20 4.35 1.29 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 0.00 0.00 676 P 0.00 4.42 0.00 2.06 2.01 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00