NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 417 M 4.4041 8.3049 118.1928 55.0296 32.2232 175.1418 418 E 4.2497 8.6080 123.4921 55.3030 31.3765 170.7921 419 V 4.4094 8.6681 114.3920 59.8577 35.2661 174.3884 420 M 4.6428 8.4977 124.8917 54.4734 33.8416 175.0851 421 V 4.7304 8.0119 117.4812 59.5435 36.8719 174.2444 422 F 5.1814 8.2585 117.6002 56.1109 42.7441 175.3230 423 T 5.0492 8.1922 111.5397 59.5308 71.1772 173.6905 424 P 4.3204 0.0000 0.0000 65.7345 31.2489 177.9324 425 K 4.1440 8.0455 114.9967 56.7535 32.1741 177.9126 426 G 4.0098 8.5290 107.9012 45.3654 0.0000 173.6786 427 E 4.1659 7.8985 120.2767 55.9210 30.3669 175.2452 428 I 4.3634 8.1486 124.9693 60.3492 38.5015 175.4038 429 K 4.5224 8.3929 126.1375 54.7544 35.4282 175.4614 430 R 4.7730 8.6362 124.4674 54.9591 31.5918 176.1035 431 L 5.0325 8.4864 122.7795 51.9527 45.5255 174.5408 432 P 4.7027 0.0000 0.0000 62.2686 32.8850 175.4953 433 Q 3.9347 8.5373 122.0195 57.9978 29.3150 176.8008 434 G 3.8348 8.9004 111.7029 45.5298 0.0000 173.4076 435 A 4.1993 7.6382 122.8354 52.0011 19.1748 177.1772 436 T 4.7896 8.0431 109.2902 59.0899 73.4588 174.8161 437 A 4.1606 8.1843 120.8989 55.3436 18.2906 179.8926 438 L 3.9229 7.9674 117.0960 57.9699 41.7875 178.9730 439 D 4.5811 7.9176 116.6243 57.3917 41.2933 178.0555 440 F 4.2563 8.2747 120.4605 61.2553 39.2684 176.7805 441 A 3.6846 7.9641 120.3196 55.4882 17.8934 179.2781 442 Y 4.1584 7.3681 113.4134 61.2080 37.9531 178.4975 443 S 4.2583 7.7477 115.4109 62.3134 62.9928 176.0127 444 L 3.8609 7.2776 120.8529 56.0905 40.1832 178.1607 445 H 4.8629 8.1920 113.8698 54.4320 33.7245 174.0488 446 S 4.3567 8.4799 114.2074 61.0098 63.2841 176.1976 447 D 4.2497 7.9202 119.0454 57.3757 41.4636 177.6796 448 L 4.2240 7.9359 120.4152 58.1702 42.1907 178.9868 449 G 3.4089 7.4890 103.7065 47.7760 0.0000 175.2443 450 D 4.4496 8.2269 119.9826 56.2369 40.7866 177.2601 451 H 4.9907 7.3898 116.0458 54.3988 29.0720 174.4565 452 C 4.4563 7.5575 117.7731 58.3202 29.4605 173.3366 453 I 4.1892 8.0293 118.3644 60.6730 38.5435 175.3494 454 G 4.1336 7.4060 108.2905 46.7025 0.0000 171.8478 455 A 5.0856 7.9342 119.3462 50.3844 23.1179 175.5918 456 K 4.6383 9.0683 121.1583 54.6666 35.6247 175.1497 457 V 4.5712 8.2456 127.1951 61.3542 34.5790 174.9538 458 N 4.1687 9.1412 125.6666 55.6266 37.6299 173.7027 459 H 4.0226 8.1945 109.0970 55.9979 27.3351 174.6196 460 K 4.5986 7.7858 120.6339 54.0683 34.3544 175.1994 461 L 4.5206 8.1788 124.6598 55.1168 42.2766 176.7430 462 V 4.4675 7.6355 114.7559 59.0414 36.0900 172.7733 463 P 4.4699 0.0000 0.0000 62.6519 32.6235 177.3486 464 L 4.0441 8.6815 120.5991 58.1238 41.6763 179.2989 465 S 4.4948 8.0246 109.2840 58.6877 62.9641 173.3401 466 Y 4.1212 7.7521 123.0859 57.7223 39.0121 175.3901 467 V 3.8504 7.1286 127.0852 62.4746 32.2519 175.5517 468 L 4.3841 8.0095 127.0777 54.8536 42.2357 176.1242 469 N 5.2192 8.5569 119.2599 51.1188 41.6518 174.8717 470 S 4.4170 8.5306 115.9387 59.4115 64.0894 174.7965 471 G 4.3446 8.7017 113.2838 46.2686 0.0000 174.6698 472 D 4.5131 8.1007 119.4536 54.0554 41.6991 175.0731 473 Q 4.5586 8.4641 123.7384 55.5553 30.7376 174.2929 474 V 4.6115 8.0072 125.4419 60.9555 34.0060 174.4370 475 E 4.7323 9.0547 127.9817 54.5794 32.6037 174.6850 476 V 4.3336 8.7367 120.8228 61.1286 32.9583 175.7287 477 L 4.5320 8.4362 124.6570 54.0423 43.0280 175.8251 478 S 5.1810 8.4170 117.3817 56.6707 65.3922 173.9372 479 S 4.2858 9.0354 118.9516 58.7532 63.4521 174.1279 480 K 3.8910 7.6681 119.0859 57.0752 30.1542 175.0885 481 S 4.1982 7.9314 113.6835 59.0368 63.2256 174.5535 482 L 4.4386 8.2193 122.5005 54.5491 42.0044 176.9565 483 E 4.1323 7.7467 118.8675 56.9059 29.7376 175.7854 484 H 4.8747 8.0785 117.6122 55.3002 32.9841 173.0123 485 H 3.9913 8.9642 115.3875 57.0634 26.4518 175.7021 486 H 4.2083 8.0369 120.6130 59.1712 29.7622 175.6182 487 H 4.7857 7.8630 112.7042 54.3514 29.8767 174.0504 488 H 4.2817 8.6003 121.3762 56.0942 30.4052 174.9139 489 H 4.4726 8.3352 120.9903 55.8927 28.5911 175.0158 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 417 M 8.30 4.40 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 418 E 8.61 4.25 0.00 1.92 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 2.29 2.46 0.00 419 V 8.67 4.41 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 0.85 0.00 0.00 0.98 0.00 0.00 420 M 8.50 4.64 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.92 0.00 421 V 8.01 4.73 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 0.76 0.00 0.00 0.74 0.00 0.00 422 F 8.26 5.18 0.00 2.98 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 0.00 423 T 8.19 5.05 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 424 P 0.00 4.32 0.00 2.11 2.21 0.00 3.79 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 2.10 2.18 0.00 425 K 8.05 4.14 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.43 7.81 426 G 8.53 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 0.00 0.00 0.00 427 E 7.90 4.17 0.00 2.12 1.90 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 2.40 2.43 0.00 428 I 8.15 4.36 1.86 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.78 0.00 0.00 429 K 8.39 4.52 0.00 1.75 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.72 7.81 430 R 8.64 4.77 0.00 1.67 1.82 0.00 3.11 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 431 L 8.49 5.03 0.00 1.58 1.56 1.01 0.84 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 0.00 432 P 0.00 4.70 0.00 2.11 2.17 0.00 3.85 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 1.97 0.00 433 Q 8.54 3.93 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.07 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 434 G 8.90 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 0.00 435 A 7.64 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 T 8.04 4.79 4.29 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 1.27 0.00 0.00 437 A 8.18 4.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 L 7.97 3.92 0.00 1.81 1.90 0.99 1.00 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 0.00 439 D 7.92 4.58 0.00 2.86 2.93 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 0.00 440 F 8.27 4.26 0.00 3.18 3.28 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 0.00 441 A 7.96 3.68 1.14 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 0.00 0.00 442 Y 7.37 4.16 0.00 3.21 2.96 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 0.00 0.00 0.00 443 S 7.75 4.26 0.00 3.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 L 7.28 3.86 0.00 1.49 1.37 0.57 0.63 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 0.00 445 H 8.19 4.86 0.00 3.05 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 S 8.48 4.36 0.00 3.89 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 0.00 447 D 7.92 4.25 0.00 2.66 2.71 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 0.00 448 L 7.94 4.22 0.00 1.70 1.64 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 449 G 7.49 3.41 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 0.00 450 D 8.23 4.45 0.00 2.66 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 0.00 451 H 7.39 4.99 0.00 3.30 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 C 7.56 4.46 0.00 3.07 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 0.00 453 I 8.03 4.19 1.87 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 1.29 0.66 0.97 0.00 0.00 454 G 7.41 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 0.00 455 A 7.93 5.09 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 0.00 456 K 9.07 4.64 0.00 1.79 1.59 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.32 7.81 457 V 8.25 4.57 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.93 0.00 0.00 458 N 9.14 4.17 0.00 2.87 2.80 0.00 0.00 7.52 7.24 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 0.00 459 H 8.19 4.02 0.00 3.34 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 K 7.79 4.60 0.00 1.69 1.65 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.31 7.81 461 L 8.18 4.52 0.00 1.52 1.53 0.89 0.82 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 0.00 462 V 7.64 4.47 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 -0.14 0.00 0.00 0.71 0.00 0.00 463 P 0.00 4.47 0.00 2.18 2.22 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 464 L 8.68 4.04 0.00 1.81 1.80 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 465 S 8.02 4.49 0.00 4.00 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 0.00 466 Y 7.75 4.12 0.00 3.01 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 0.00 467 V 7.13 3.85 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.78 0.00 0.00 468 L 8.01 4.38 0.00 1.59 1.53 0.97 1.02 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 0.00 469 N 8.56 5.22 0.00 2.79 2.72 0.00 0.00 7.11 7.62 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 0.00 470 S 8.53 4.42 0.00 4.01 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 0.00 471 G 8.70 4.34 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 0.00 472 D 8.10 4.51 0.00 2.92 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 0.00 473 Q 8.46 4.56 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 474 V 8.01 4.61 1.05 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 0.55 0.00 0.00 0.65 0.00 0.00 475 E 9.05 4.73 0.00 2.04 1.73 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 2.23 2.32 0.00 476 V 8.74 4.33 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 1.01 0.00 0.00 0.95 0.00 0.00 477 L 8.44 4.53 0.00 1.66 1.58 0.94 0.39 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 0.00 478 S 8.42 5.18 0.00 3.81 3.66 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 0.00 479 S 9.04 4.29 0.00 3.99 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 0.00 480 K 7.67 3.89 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.38 7.81 481 S 7.93 4.20 0.00 3.76 3.73 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 0.00 482 L 8.22 4.44 0.00 1.63 1.73 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 483 E 7.75 4.13 0.00 1.90 1.89 0.00 0.00 0.00 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 2.31 0.00 484 H 8.08 4.87 0.00 3.27 3.19 0.00 5.96 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 485 H 8.96 3.99 0.00 3.27 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 486 H 8.04 4.21 0.00 3.17 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 487 H 7.86 4.79 0.00 3.37 3.35 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 0.00 488 H 8.60 4.28 0.00 3.14 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 489 H 8.34 4.47 0.00 3.27 3.24 0.00 5.81 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