NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 596 K 4.5628 8.1733 120.0907 56.6210 34.1716 174.3108 597 M 5.0504 8.9112 123.8414 52.7464 35.3175 171.1502 598 E 4.9939 9.4873 122.6275 54.3542 33.3701 174.7181 599 V 4.1144 8.4944 126.9947 62.6749 32.2401 176.0849 600 F 5.1286 8.7069 122.0229 56.6982 39.8311 175.3106 601 Q 4.4537 7.0593 120.3570 53.5361 31.2609 174.5921 602 E 4.0695 8.7802 124.4655 57.2721 30.3332 176.0717 603 Y 4.4262 8.3402 122.4885 56.2476 42.2414 174.7085 604 Y 4.6297 7.9099 125.6813 57.7354 39.3267 176.6252 605 G 2.6309 5.8924 107.1584 45.2755 0.0000 173.4484 606 I 4.3311 6.6497 120.0878 58.4842 38.8926 173.7132 607 P 4.6310 0.0000 0.0000 61.3353 32.2494 174.3925 608 P 4.7876 0.0000 0.0000 61.0385 32.1272 174.4356 609 P 2.9700 0.0000 0.0000 61.7559 31.8546 174.9249 610 P 4.4230 0.0000 0.0000 61.7497 33.8884 179.1394 611 G 3.4530 7.7715 108.7881 46.9294 0.0000 173.7529 612 A 4.3468 7.9113 125.6374 51.2136 18.8578 177.5389 613 F 3.5699 7.1849 117.3795 57.5879 39.4891 177.1762 614 G 4.3084 7.9585 112.4478 45.3170 0.0000 171.0238 615 P 4.7885 0.0000 0.0000 62.3916 32.6209 176.2620 616 F 5.3534 8.9828 117.3271 56.9754 39.2680 174.1780 617 L 4.6456 9.3519 123.6034 53.4552 43.3412 175.8437 618 R 4.8179 8.6618 127.3839 56.4021 31.0096 175.3617 619 L 4.8611 9.3459 126.0658 53.0711 45.7722 175.1421 620 N 5.2097 9.3363 120.9987 50.4936 41.4221 172.9255 621 P 4.5349 0.0000 0.0000 64.4567 31.9026 176.6300 622 G 4.1079 9.0354 111.5909 44.8149 0.0000 173.8153 623 D 4.4619 8.0086 119.9184 54.4291 42.3335 175.3856 624 I 4.5835 8.0882 122.6075 59.7432 39.3818 174.5256 625 V 4.7169 8.7401 127.5158 61.0158 34.2071 173.8329 626 E 4.7604 8.8424 129.0888 54.3401 31.0217 174.9524 627 L 4.6877 8.6014 127.9535 55.2246 41.6881 177.0387 628 T 4.4784 8.9731 112.7301 62.1856 71.9202 174.3751 629 K 4.7161 7.5682 120.9659 54.7793 36.5163 175.6520 630 A 4.1953 8.4508 127.3984 51.0654 20.6207 174.4802 631 E 4.6039 8.7291 120.3650 55.0830 31.7141 177.9176 632 A 4.2274 8.6062 125.4269 55.1077 18.6664 178.5708 633 E 4.2450 8.2167 113.6120 58.0333 29.9986 176.3329 634 H 5.2774 7.9435 115.5927 54.0341 31.5750 173.9829 635 N 4.4884 8.9366 119.0394 54.3070 39.0749 174.5909 636 W 4.5998 7.9975 117.6914 54.3186 31.9693 174.8829 637 W 5.0580 8.1720 123.1095 54.7677 32.6567 173.9163 638 E 4.3373 8.0622 121.8314 54.5107 32.3938 175.0553 639 G 4.1990 8.1922 110.8624 46.2699 0.0000 171.3080 640 R 5.0672 8.6448 120.4683 54.2565 32.7624 174.7179 641 N 4.8307 9.0681 126.1740 53.2339 38.9164 175.4512 642 T 4.2051 8.6354 117.9954 63.9375 68.5443 175.5064 643 A 4.2029 8.3263 125.1632 54.0845 18.7476 178.0401 644 T 4.4441 7.3958 102.2391 60.2183 70.2496 174.5307 645 N 4.3419 8.7852 118.2721 53.6700 36.9360 173.9787 646 E 4.3996 7.7077 118.3868 56.0117 31.0617 175.8123 647 V 4.7779 8.4599 121.1656 60.8844 34.9973 175.2642 648 G 4.0867 7.8181 111.1042 46.7398 0.0000 171.1080 649 W 5.4110 8.7826 119.8901 55.5468 31.4829 175.8803 650 F 4.8970 8.3556 116.7821 54.7707 41.4058 171.8329 651 P 3.0558 0.0000 0.0000 61.7486 31.7393 177.3225 652 C 3.1686 7.7823 117.4858 60.5359 29.2735 174.9824 653 N 4.6069 7.4618 114.8878 53.4591 36.7839 175.3636 654 R 3.7232 7.4726 116.6711 56.0464 31.0566 175.7216 655 V 5.0535 7.2862 110.5915 60.0443 35.7825 173.5648 656 H 5.1615 9.0137 115.7297 53.6858 32.4248 170.9334 657 P 4.6171 0.0000 0.0000 62.9339 31.8746 175.7174 658 Y 4.6463 8.5840 126.1975 56.9143 39.3283 175.2376 659 V 3.9563 8.0772 126.0331 60.0058 34.1086 174.9822 660 H 4.4007 8.3569 119.1500 55.4293 28.6532 174.7695 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 596 K 8.17 4.56 0.00 1.85 1.88 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.51 7.81 597 M 8.91 5.05 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.81 0.00 598 E 9.49 4.99 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 599 V 8.49 4.11 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 0.68 0.00 0.00 0.77 0.00 0.00 600 F 8.71 5.13 0.00 2.97 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 0.00 601 Q 7.06 4.45 0.00 1.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 602 E 8.78 4.07 0.00 1.40 1.77 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 2.15 2.07 0.00 603 Y 8.34 4.43 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 604 Y 7.91 4.63 0.00 2.78 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 0.00 605 G 5.89 2.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 I 6.65 4.33 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.92 0.00 0.00 607 P 0.00 4.63 0.00 2.34 2.17 0.00 4.04 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.17 0.00 608 P 0.00 4.79 0.00 2.21 2.11 0.00 3.43 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 609 P 0.00 2.97 0.00 2.01 1.86 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 610 P 0.00 4.42 0.00 2.08 1.96 0.00 2.31 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.48 0.00 611 G 7.77 3.45 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 0.00 0.00 0.00 0.00 612 A 7.91 4.35 0.99 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 0.00 0.00 613 F 7.18 3.57 0.00 2.69 2.04 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 0.00 614 G 7.96 4.31 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 0.00 615 P 0.00 4.79 0.00 2.13 2.03 0.00 3.87 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 616 F 8.98 5.35 0.00 3.61 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 0.00 617 L 9.35 4.65 0.00 1.78 1.97 0.95 0.90 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 0.00 618 R 8.66 4.82 0.00 2.10 1.94 0.00 3.30 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 619 L 9.35 4.86 0.00 1.49 1.36 0.37 0.12 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 0.00 620 N 9.34 5.21 0.00 3.00 2.72 0.00 0.00 6.68 7.80 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 0.00 621 P 0.00 4.53 0.00 2.04 2.01 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 622 G 9.04 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 0.00 623 D 8.01 4.46 0.00 2.64 2.63 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 0.00 0.00 0.00 0.00 624 I 8.09 4.58 1.65 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.60 0.71 0.00 0.00 625 V 8.74 4.72 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 0.98 0.00 0.00 0.63 0.00 0.00 626 E 8.84 4.76 0.00 2.09 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 2.20 2.29 0.00 627 L 8.60 4.69 0.00 1.47 1.44 0.55 1.22 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 0.00 628 T 8.97 4.48 4.18 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 1.17 0.00 0.00 629 K 7.57 4.72 0.00 1.37 1.79 0.00 2.00 0.00 0.00 2.08 0.00 0.00 2.94 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.44 1.52 7.81 630 A 8.45 4.20 0.17 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 0.00 0.00 631 E 8.73 4.60 0.00 2.21 2.29 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 2.48 2.43 0.00 632 A 8.61 4.23 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 0.00 633 E 8.22 4.24 0.00 1.85 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 2.31 2.41 0.00 634 H 7.94 5.28 0.00 3.43 3.41 0.00 5.67 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 0.00 635 N 8.94 4.49 0.00 3.03 2.89 0.00 0.00 6.83 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 W 8.00 4.60 0.00 2.24 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 0.00 637 W 8.17 5.06 0.00 2.23 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 0.00 638 E 8.06 4.34 0.00 1.16 1.12 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 0.00 1.77 1.47 0.00 639 G 8.19 4.20 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 0.00 0.00 0.00 640 R 8.64 5.07 0.00 1.81 1.75 0.00 3.07 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 641 N 9.07 4.83 0.00 2.77 2.69 0.00 0.00 6.56 7.27 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 0.00 642 T 8.64 4.21 4.20 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 1.20 0.00 0.00 643 A 8.33 4.20 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 0.00 644 T 7.40 4.44 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 1.21 0.00 0.00 645 N 8.79 4.34 0.00 2.85 3.00 0.00 0.00 7.00 7.61 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 0.00 646 E 7.71 4.40 0.00 1.87 1.83 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 2.30 2.38 0.00 647 V 8.46 4.78 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 0.81 0.00 0.00 0.93 0.00 0.00 648 G 7.82 4.09 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 0.00 0.00 0.00 649 W 8.78 5.41 0.00 3.52 3.35 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 0.00 650 F 8.36 4.90 0.00 2.67 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 0.00 651 P 0.00 3.06 0.00 1.62 0.57 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 0.00 652 C 7.78 3.17 0.00 1.23 1.18 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 0.00 653 N 7.46 4.61 0.00 2.74 2.76 0.00 0.00 5.91 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 0.00 654 R 7.47 3.72 0.00 1.55 1.75 0.00 2.92 0.00 0.00 2.97 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.00 655 V 7.29 5.05 2.23 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 0.44 0.00 0.00 1.23 0.00 0.00 656 H 9.01 5.16 0.00 3.22 3.46 0.00 5.27 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 P 0.00 4.62 0.00 1.97 2.06 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 658 Y 8.58 4.65 0.00 2.80 3.02 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 0.00 659 V 8.08 3.96 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 0.84 0.00 0.00 0.86 0.00 0.00 660 H 8.36 4.40 0.00 3.18 3.12 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00