NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 435 G 3.9907 8.3549 109.7405 45.5772 0.0000 173.5087 436 S 4.3412 8.5514 114.4020 59.2492 64.6068 173.3022 437 Y 4.6858 7.3828 118.7277 56.6126 37.7579 178.1080 438 C 3.9732 9.5438 111.0100 57.1372 29.7207 171.5336 439 P 4.4013 0.0000 0.0000 62.1964 31.3936 175.4530 440 R 3.9766 8.1945 118.5120 56.1190 30.4115 175.1767 441 N 4.5249 8.6064 123.8845 52.9280 38.9503 173.9679 442 L 3.8469 8.3481 126.0662 58.0708 42.7021 177.1757 443 H 4.9311 7.7744 120.0701 55.5179 28.5318 175.0151 444 L 4.7656 7.5717 116.2996 54.1730 43.9636 177.0070 445 L 4.7500 7.1890 118.5245 52.0756 43.5534 174.7911 446 P 4.5414 0.0000 0.0000 62.9095 32.1740 175.9879 447 T 4.6778 8.0356 110.7906 59.9895 70.9718 175.5762 448 T 3.9464 8.6895 120.6891 67.3452 68.4490 176.0389 449 D 4.5132 7.7686 116.7736 56.2168 40.6971 177.8741 450 T 4.1813 8.1726 110.2513 62.9551 69.2010 175.5053 451 Y 4.2362 8.0216 118.0483 58.4058 38.5978 176.7478 452 L 4.4355 7.6878 120.3809 56.6896 42.4497 178.2794 453 S 4.3665 7.3885 109.7912 59.6188 62.9912 175.1041 454 K 4.0971 7.3506 117.9254 57.8498 32.2595 177.0359 455 V 4.3982 7.4162 118.2643 60.4130 33.3338 175.5549 456 S 4.2895 8.5458 121.8220 59.2977 63.1567 174.0334 457 D 4.6923 8.3874 121.1844 54.0206 42.3824 175.4527 458 D 4.3315 8.2502 118.5462 54.0095 40.8825 174.3439 459 P 4.4449 0.0000 0.0000 65.0467 32.1739 177.3895 460 D 4.4749 8.2780 117.8348 56.5691 41.7746 177.0421 461 N 4.6850 8.5685 118.4819 52.4786 37.1452 174.6578 462 L 4.4066 7.5530 115.7505 55.3113 42.3656 177.8705 463 E 4.8343 7.4895 113.4488 55.6105 29.1978 176.4099 464 D 4.8175 7.8742 114.0532 52.9257 41.2487 176.2408 465 V 4.3413 7.7016 111.4753 61.2411 32.5762 174.9435 466 D 4.6360 7.9044 121.9177 54.2594 41.3647 177.4083 467 D 4.4488 8.4919 125.3602 51.9336 39.2806 175.7279 468 E 4.1427 8.6495 125.1308 58.4717 28.5705 176.9138 469 E 3.8070 7.9982 118.2421 59.1923 30.3379 178.5806 470 L 4.0646 8.1042 120.0819 58.4465 42.1816 178.2005 471 N 4.4435 7.6182 110.6880 54.4597 38.0451 175.1947 472 A 4.6415 7.6228 119.6605 52.3807 19.5321 176.4248 473 H 4.7812 8.2624 113.6607 56.0092 28.5704 175.9541 474 L 4.6397 7.4366 120.7437 53.1145 40.5141 175.8063 475 L 4.2213 8.1001 126.1527 55.7817 42.0020 179.1105 476 N 4.6971 8.3032 119.6464 53.0627 38.1876 174.6465 477 E 4.0338 8.4186 114.2141 59.2365 29.6406 177.9449 478 E 3.9941 8.2360 118.4657 59.6541 29.4584 179.1168 479 A 4.0228 8.2862 120.4553 54.8385 18.8473 179.5134 480 S 3.9621 8.1441 111.7291 61.2343 62.5027 176.5146 481 K 4.0349 8.6775 121.8331 59.1840 31.7285 179.0495 482 L 4.0317 7.5785 120.4328 57.6535 41.7371 179.0267 483 K 3.9247 7.6759 119.4168 59.5731 32.2952 178.2108 484 E 3.8995 8.0246 119.3148 59.5507 29.0340 178.8766 485 R 3.9424 7.9547 117.9829 59.4800 30.1598 178.5764 486 I 3.8222 7.7679 119.5034 63.8670 37.3019 178.0193 487 W 4.0768 9.3363 130.3858 60.4650 30.4551 177.6946 488 I 4.0169 8.2661 118.7438 64.1489 37.1824 178.1995 489 G 3.5378 7.4599 105.1814 47.9062 0.0000 175.5233 490 L 4.1011 7.6885 120.5278 56.4668 41.8258 178.4175 491 N 4.6306 7.4316 113.9233 52.7641 38.6332 176.4191 492 A 4.3220 7.5681 123.7260 54.6550 18.7444 179.6362 493 D 4.3311 7.9651 116.8184 57.4280 41.3305 177.7576 494 F 4.2131 8.0264 120.4481 61.4219 39.3767 176.9784 495 L 3.8767 8.5747 118.2429 56.9250 41.3228 179.3271 496 L 4.0308 7.3667 118.3918 57.4851 41.8163 178.9528 497 E 3.9045 7.8704 118.0225 59.2920 28.9365 178.9771 498 Q 3.8405 7.4357 119.8225 58.6997 27.4640 177.5339 499 E 3.9764 7.7903 120.4653 58.5832 29.7772 178.1627 500 S 4.3303 8.0414 112.7913 60.0884 62.4828 175.6601 501 K 4.0422 7.9453 122.2377 58.8769 31.6902 178.3460 502 R 3.9593 7.4059 117.2816 58.4309 29.7637 177.5506 503 L 4.2872 7.2019 117.9261 57.0385 41.7936 178.8439 504 K 4.1585 7.8471 116.7658 58.4008 32.1242 178.3065 505 Q 4.3753 7.3997 115.8615 55.9712 29.1845 175.4557 506 E 4.2264 7.5580 124.0580 56.4258 29.6873 175.8412 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 435 G 8.35 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 0.00 436 S 8.55 4.34 0.00 4.00 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 0.00 437 Y 7.38 4.69 0.00 2.88 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 0.00 0.00 0.00 438 C 9.54 3.97 0.00 3.14 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 0.00 439 P 0.00 4.40 0.00 2.18 2.11 0.00 3.72 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 440 R 8.19 3.98 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 441 N 8.61 4.52 0.00 2.74 2.73 0.00 0.00 7.09 7.78 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 0.00 442 L 8.35 3.85 0.00 1.81 1.67 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 443 H 7.77 4.93 0.00 3.10 3.21 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 L 7.57 4.77 0.00 1.65 1.65 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 445 L 7.19 4.75 0.00 1.47 1.60 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 446 P 0.00 4.54 0.00 2.21 2.33 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 2.14 2.19 0.00 447 T 8.04 4.68 4.24 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 1.08 0.00 0.00 448 T 8.69 3.95 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 449 D 7.77 4.51 0.00 2.81 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 0.00 450 T 8.17 4.18 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 1.23 0.00 0.00 451 Y 8.02 4.24 0.00 3.08 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 0.00 452 L 7.69 4.44 0.00 1.71 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 453 S 7.39 4.37 0.00 4.10 4.08 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 0.00 454 K 7.35 4.10 0.00 1.78 1.87 0.00 1.38 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 455 V 7.42 4.40 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 0.80 0.00 0.00 0.95 0.00 0.00 456 S 8.55 4.29 0.00 3.90 3.79 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 0.00 457 D 8.39 4.69 0.00 2.63 2.68 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 0.00 0.00 0.00 0.00 458 D 8.25 4.33 0.00 2.63 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 460 D 8.28 4.47 0.00 2.68 2.75 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 0.00 0.00 0.00 461 N 8.57 4.69 0.00 2.71 2.85 0.00 0.00 7.38 7.64 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 0.00 462 L 7.55 4.41 0.00 1.68 1.67 1.00 0.99 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 0.00 463 E 7.49 4.83 0.00 2.19 1.94 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 2.27 2.19 0.00 464 D 7.87 4.82 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 V 7.70 4.34 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 0.77 0.00 0.00 0.94 0.00 0.00 466 D 7.90 4.64 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.45 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 E 8.65 4.14 0.00 2.23 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 0.00 2.27 2.28 0.00 469 E 8.00 3.81 0.00 1.99 1.95 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 2.34 2.27 0.00 470 L 8.10 4.06 0.00 1.76 1.67 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 471 N 7.62 4.44 0.00 2.90 2.84 0.00 0.00 6.87 7.23 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 0.00 472 A 7.62 4.64 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 473 H 8.26 4.78 0.00 3.18 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 L 7.44 4.64 0.00 1.69 1.64 0.96 0.77 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 0.00 475 L 8.10 4.22 0.00 1.75 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 476 N 8.30 4.70 0.00 2.97 2.96 0.00 0.00 6.12 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 0.00 477 E 8.42 4.03 0.00 2.03 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 2.35 0.00 478 E 8.24 3.99 0.00 2.03 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 0.00 479 A 8.29 4.02 1.33 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 0.00 0.00 480 S 8.14 3.96 0.00 4.00 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 0.00 481 K 8.68 4.03 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 482 L 7.58 4.03 0.00 2.06 1.78 0.93 0.29 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 0.00 483 K 7.68 3.92 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 484 E 8.02 3.90 0.00 2.08 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 2.36 2.31 0.00 485 R 7.95 3.94 0.00 1.97 2.24 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 486 I 7.77 3.82 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.95 0.00 0.00 487 W 9.34 4.08 0.00 3.32 3.22 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 0.00 488 I 8.27 4.02 2.31 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.34 1.04 0.00 0.00 489 G 7.46 3.54 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 0.00 490 L 7.69 4.10 0.00 1.38 1.56 0.87 1.04 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 0.00 491 N 7.43 4.63 0.00 1.48 2.16 0.00 0.00 6.82 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 A 7.57 4.32 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 0.00 493 D 7.97 4.33 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 494 F 8.03 4.21 0.00 3.10 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 0.00 495 L 8.57 3.88 0.00 1.71 1.74 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 496 L 7.37 4.03 0.00 1.72 1.65 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 497 E 7.87 3.90 0.00 1.83 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 2.35 2.30 0.00 498 Q 7.44 3.84 0.00 1.30 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 499 E 7.79 3.98 0.00 2.21 1.98 0.00 0.00 0.00 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 2.30 0.00 500 S 8.04 4.33 0.00 4.04 3.79 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 0.00 501 K 7.95 4.04 0.00 2.03 1.87 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 502 R 7.41 3.96 0.00 1.99 2.06 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 503 L 7.20 4.29 0.00 1.97 1.67 0.95 0.78 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 0.00 504 K 7.85 4.16 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 505 Q 7.40 4.38 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 506 E 7.56 4.23 0.00 1.98 1.84 0.00 0.00 0.00 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 2.23 0.00