NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4130 8.3344 115.2872 57.8427 63.6096 173.4609 603 Q 3.7420 8.7864 126.5617 57.8066 28.9803 175.5004 604 W 4.5420 8.1284 113.5295 55.6511 31.6648 175.1362 605 G 4.3750 9.5664 112.3557 45.8675 0.0000 174.4491 606 S 4.8298 7.4030 113.3298 55.4291 67.1904 175.0907 607 G 3.5722 8.5335 108.8844 47.6968 0.0000 175.9260 608 K 2.8638 7.4298 121.4293 58.8554 32.0508 178.3479 609 N 4.2762 8.0709 117.5235 56.4263 38.8645 176.6288 610 L 3.3477 7.8541 121.8391 58.0314 41.5901 178.3412 611 Y 4.0542 7.9891 119.4176 60.8798 38.5418 177.8381 612 D 4.1579 8.0948 118.7709 57.1508 41.0214 178.4738 613 K 4.2923 8.1070 117.6860 58.3469 32.6895 176.5946 614 V 4.1592 7.8585 116.3603 62.7712 34.4034 176.7284 615 C 4.0241 8.0927 115.9514 63.2346 28.6116 176.5185 616 G 2.9020 8.3057 107.6688 47.5366 0.0000 175.1875 617 H 4.2911 7.7359 117.0258 57.9837 28.7988 176.3524 618 C 4.6506 7.8866 117.1256 60.9433 30.0378 175.1816 619 H 4.5406 8.3531 115.8725 56.7356 29.2756 176.1181 620 K 4.2628 7.6710 119.1899 55.1712 32.5536 175.8032 621 P 4.2961 0.0000 0.0000 65.8736 31.2791 177.8766 622 E 4.0770 8.1273 113.5759 58.5677 29.8150 178.1121 623 V 3.6825 7.7810 119.6372 65.2593 31.8346 177.2404 624 G 3.9200 8.1725 104.9824 46.0592 0.0000 174.4774 625 V 3.6668 8.0086 121.0853 64.5680 31.7303 176.1482 626 G 4.1157 7.7363 106.5549 42.2207 0.0000 170.7311 627 P 4.4808 0.0000 0.0000 61.9862 31.9589 176.5076 628 V 3.8106 8.2839 119.6642 63.2831 31.8673 175.7498 629 L 4.6153 8.3472 125.0208 54.7775 43.5128 176.7722 630 E 3.7459 8.1390 119.6924 57.2226 29.6591 177.0966 631 G 3.8593 8.6622 112.9454 47.0434 0.0000 174.1632 632 R 4.2889 7.9666 116.2060 54.7460 30.6232 177.1434 633 G 4.0966 8.0295 105.1969 46.1407 0.0000 173.8189 634 L 4.0929 7.2214 120.2152 53.4944 42.2347 176.4698 635 P 4.4492 0.0000 0.0000 62.0961 33.3201 177.0502 636 E 3.9088 8.7887 121.0543 59.5805 29.6280 179.0920 637 A 3.9884 8.0730 120.2243 55.3745 18.2909 178.9015 638 Y 4.0988 7.9443 117.4862 60.8545 38.9771 177.7787 639 I 3.4791 7.7342 120.7041 64.3260 37.1301 178.6044 640 K 3.9348 8.2140 119.4208 59.3236 31.8468 178.9189 641 D 4.2542 8.0283 118.2967 57.4225 41.1021 178.4359 642 I 3.5200 7.5496 120.4655 64.2619 36.9519 178.6597 643 V 3.6644 7.8387 119.1664 66.1678 31.1565 178.3711 644 R 3.9801 8.1283 116.9917 58.9157 30.0031 178.0628 645 N 4.6447 8.2194 115.0458 52.2959 39.2194 176.6183 646 G 3.9912 9.2762 105.3296 45.5848 0.0000 173.3484 647 F 4.8328 8.9710 121.0898 57.7435 41.7486 176.4690 648 R 3.6202 8.5073 130.3443 56.8212 29.0983 179.5882 649 A 3.9957 8.8355 130.9968 55.5036 18.7312 178.4241 650 M 4.2759 8.1946 117.6717 54.2143 32.9089 174.0383 651 P 4.7973 0.0000 0.0000 62.7522 32.6172 175.0902 652 A 4.9171 8.1205 121.4828 50.4956 21.3606 176.3116 653 F 4.6641 8.8321 118.3130 54.9205 41.8143 174.1089 654 P 4.5370 0.0000 0.0000 61.9314 30.7099 177.2914 655 A 4.5956 8.8894 122.9727 54.7502 17.9339 180.1678 656 S 4.3814 8.2039 111.7239 61.0356 63.1684 175.3369 657 Y 4.6419 7.3745 120.5197 58.2915 39.3939 175.5393 658 V 4.7840 8.2750 122.3789 60.2583 33.2172 174.3763 659 D 4.9339 10.4112 129.5098 52.5431 41.6488 176.7588 660 D 4.3857 8.6184 119.0754 57.6518 40.7634 178.6738 661 E 3.9614 8.2426 119.0989 59.6108 29.6088 178.9644 662 S 4.4089 8.7825 115.2278 61.4899 62.8038 176.6968 663 L 4.0120 7.7859 121.4688 57.9189 41.3322 179.5537 664 T 3.8703 8.1006 115.7657 66.7182 68.3210 176.6834 665 Q 4.0260 8.2272 120.0960 59.0480 28.7208 179.3491 666 V 3.6691 8.2877 120.3766 64.5484 31.3831 178.2634 667 A 3.9458 8.1930 121.5576 55.1322 18.3951 179.5199 668 E 3.9088 8.2283 117.1426 59.4711 29.6011 178.9050 669 Y 4.0547 8.3092 119.8676 60.7909 38.9011 178.1270 670 L 3.5828 8.0782 120.1183 57.9005 41.4767 179.8576 671 S 4.2038 7.7618 114.1157 61.2137 62.7828 176.3994 672 S 4.2236 7.4641 115.3777 59.4305 63.3738 174.7418 673 L 4.1235 6.5254 121.8847 53.3331 42.1994 174.5142 674 P 4.4329 0.0000 0.0000 61.9294 32.2670 175.9751 675 A 4.3226 8.2098 123.1877 50.8734 18.7969 175.9820 676 P 4.4223 0.0000 0.0000 63.0309 31.3482 176.3369 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 3.93 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 0.00 603 Q 8.79 3.74 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 1.71 2.20 0.00 604 W 8.13 4.54 0.00 3.28 3.19 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 0.00 605 G 9.57 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.83 0.00 3.96 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 8.53 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 7.43 2.86 0.00 0.79 1.43 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.09 7.81 609 N 8.07 4.28 0.00 2.92 3.18 0.00 0.00 6.82 6.83 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 0.00 610 L 7.85 3.35 0.00 1.50 1.62 -0.50 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.99 4.05 0.00 3.12 3.06 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 0.00 0.00 0.00 612 D 8.09 4.16 0.00 2.77 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 8.11 4.29 0.00 1.73 2.10 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.85 1.87 7.81 614 V 7.86 4.16 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 0.44 0.00 0.00 0.39 0.00 0.00 615 C 8.09 4.02 0.00 3.10 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 0.00 616 G 8.31 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 7.74 4.29 0.00 3.30 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 7.89 4.65 0.00 2.85 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 0.00 619 H 8.35 4.54 0.00 3.38 3.51 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 7.67 4.26 0.00 1.89 1.94 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.54 1.04 7.81 621 P 0.00 4.30 0.00 2.07 2.17 0.00 3.76 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 2.09 2.16 0.00 622 E 8.13 4.08 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 7.78 3.68 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 0.96 0.00 0.00 624 G 8.17 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 8.01 3.67 2.19 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 0.78 0.00 0.00 0.91 0.00 0.00 626 G 7.74 4.12 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 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 8.28 3.81 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 8.35 4.62 0.00 1.59 1.61 0.67 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 630 E 8.14 3.75 0.00 1.97 1.74 0.00 0.00 0.00 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 8.66 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.29 0.00 1.95 1.93 0.00 3.44 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 633 G 8.03 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 0.00 0.00 0.00 634 L 7.22 4.09 0.00 1.86 1.78 1.00 0.98 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 0.00 635 P 0.00 4.45 0.00 2.20 1.97 0.00 3.60 0.00 0.00 3.78 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 8.79 3.91 0.00 2.04 1.96 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 0.00 2.39 2.39 0.00 637 A 8.07 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 7.94 4.10 0.00 2.98 3.14 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 0.00 639 I 7.73 3.48 1.99 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 1.48 0.55 0.85 0.00 0.00 640 K 8.21 3.93 0.00 1.78 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.58 7.81 641 D 8.03 4.25 0.00 2.98 2.64 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 0.00 642 I 7.55 3.52 1.50 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.16 0.85 0.00 0.00 643 V 7.84 3.66 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 1.18 0.00 0.00 0.94 0.00 0.00 644 R 8.13 3.98 0.00 1.89 1.99 0.00 3.41 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 645 N 8.22 4.64 0.00 2.87 2.90 0.00 0.00 7.12 7.70 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 0.00 646 G 9.28 3.99 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 0.00 647 F 8.97 4.83 0.00 2.95 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 8.51 3.62 0.00 1.38 0.86 0.00 2.38 0.00 0.00 2.90 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.00 649 A 8.84 4.00 1.22 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 0.00 650 M 8.19 4.28 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 651 P 0.00 4.80 0.00 1.64 1.86 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 652 A 8.12 4.92 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 0.00 653 F 8.83 4.66 0.00 2.78 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 4.54 0.00 2.32 2.05 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 655 A 8.89 4.60 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 4.38 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 7.37 4.64 0.00 3.21 3.33 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 0.00 658 V 8.28 4.78 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 0.89 0.00 0.00 0.80 0.00 0.00 659 D 10.41 4.93 0.00 2.92 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 8.62 4.39 0.00 2.82 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 0.00 661 E 8.24 3.96 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 8.78 4.41 0.00 4.16 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 0.00 663 L 7.79 4.01 0.00 1.95 1.71 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 664 T 8.10 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 665 Q 8.23 4.03 0.00 2.31 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 2.61 0.00 666 V 8.29 3.67 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 0.96 0.00 0.00 1.01 0.00 0.00 667 A 8.19 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 8.23 3.91 0.00 2.21 2.03 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 2.33 2.48 0.00 669 Y 8.31 4.05 0.00 3.06 3.12 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 0.00 0.00 0.00 670 L 8.08 3.58 0.00 1.62 1.66 0.81 0.14 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 0.00 671 S 7.76 4.20 0.00 3.99 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 4.22 0.00 4.00 4.03 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 0.00 673 L 6.53 4.12 0.00 1.65 1.42 0.43 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.43 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 8.21 4.32 1.30 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 0.00 0.00 0.00 676 P 0.00 4.42 0.00 2.06 2.00 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 2.16 0.00