NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 445 G 3.8631 8.3549 109.7368 44.2797 0.0000 173.3040 446 P 4.0493 0.0000 0.0000 62.2867 32.2155 174.8470 447 L 3.5676 8.3312 115.8519 56.0638 41.0514 173.5734 *451 D 4.4782 8.0025 119.7250 53.8799 42.1112 177.9215 452 V 3.9966 9.0569 122.0731 62.0566 31.4203 173.7679 453 Q 4.5703 8.3916 124.6713 54.1134 31.3129 175.7599 454 V 3.4064 8.3155 120.8285 62.2052 30.7832 175.5387 455 T 4.6889 7.7664 117.0601 58.9796 73.1871 174.1366 456 E 3.8935 8.5659 122.1399 59.2604 29.7026 178.5418 457 D 4.2720 8.0931 117.5582 57.2941 41.3630 178.0218 458 A 3.9334 8.0950 121.1160 55.1353 18.3699 179.7127 459 V 3.8875 8.0377 116.7943 66.2781 31.6211 178.0515 460 R 3.9063 8.4867 118.7741 59.6891 29.7538 178.6579 461 R 3.9097 8.0498 117.6779 59.3929 29.9037 178.7390 462 Y 4.2596 7.9853 116.4913 61.2325 37.8934 178.5428 463 L 4.3812 8.4820 119.6359 57.5855 41.4480 179.5384 464 T 4.0226 7.7064 115.5245 66.2654 68.5143 176.8725 465 R 4.1234 7.7974 119.7334 57.9221 30.4836 177.0007 466 K 4.3979 7.0584 113.0036 54.9866 35.4733 172.9931 467 P 4.7491 0.0000 0.0000 63.6139 31.9918 175.7072 468 M 5.1852 9.2694 122.5239 53.9183 36.9461 175.2968 469 T 4.3792 8.7417 113.3249 60.9575 70.9357 175.8475 470 T 4.0279 8.5979 111.6340 64.9475 68.7455 176.2507 471 K 3.9218 8.0107 122.0909 59.1628 32.0590 178.1913 472 D 4.3324 7.9400 118.0854 57.4689 41.0763 178.6040 473 L 4.0869 7.9824 119.2615 57.8650 41.7288 179.5617 474 L 4.1635 8.2028 118.9397 57.7947 41.3090 179.6434 475 K 4.0973 7.7998 116.9370 58.5346 32.0293 178.7080 476 K 3.8907 7.5939 117.3676 56.6973 33.3819 176.7965 477 F 4.9517 7.3686 116.5657 55.9184 39.2885 175.1030 478 Q 4.2085 7.7088 121.5973 55.6602 29.9047 178.3071 479 T 3.8984 8.6902 113.4302 64.7083 68.3522 176.6153 480 K 4.1243 8.0951 120.3409 59.1516 32.6683 178.2378 481 K 4.3327 8.0672 119.0938 58.1031 32.9466 178.2174 482 T 4.2418 7.9364 108.6781 62.1150 69.4437 176.0620 483 G 3.9713 8.4315 108.7982 44.9503 0.0000 173.6277 484 L 4.3130 7.5769 119.6400 54.2994 42.4203 177.6346 485 S 4.5077 8.7451 117.2238 57.8090 65.3620 175.6733 486 S 4.1633 8.4854 117.2558 61.5087 62.6627 176.2035 487 E 3.9483 8.0833 122.5641 59.1539 29.5109 178.6113 488 Q 3.9970 8.0921 118.1914 59.0910 28.7536 178.7729 489 T 3.7960 7.8882 116.7610 66.6811 68.5785 176.7382 490 V 3.5757 7.7695 119.9803 66.0847 31.4802 177.7427 491 N 4.3206 8.1691 116.3423 56.3854 38.4226 177.8484 492 V 3.6286 7.7941 120.5057 64.7180 31.5087 178.4285 493 L 3.8372 7.9357 119.4527 57.1413 41.2707 179.3268 494 A 3.9025 8.0088 120.7893 55.2918 18.4117 179.5107 495 Q 3.8992 7.7532 116.0869 59.2115 28.7101 179.4283 496 I 3.5904 7.6137 120.4633 64.5440 37.1827 178.5907 497 L 3.7499 8.0467 119.9364 57.4793 41.0617 179.9187 498 K 3.9463 7.9916 118.1287 59.4873 32.0922 179.3240 499 R 4.0558 7.6176 116.9820 59.3398 30.0935 178.9391 500 L 3.9963 8.1038 117.7711 55.5241 42.9134 176.9782 501 N 4.1193 8.0466 115.6038 53.8526 37.4785 171.6010 502 P 4.6185 0.0000 0.0000 62.3136 33.0670 177.9551 503 E 4.2423 8.7128 121.2608 56.9284 30.8761 176.2632 504 R 5.0024 8.5254 120.7502 54.4613 32.5748 175.3130 505 K 4.6464 9.1680 123.6936 54.7040 35.7974 175.2455 506 M 4.7620 8.5641 123.6396 54.4068 33.1050 175.8807 507 I 4.4222 8.5478 124.9956 60.5295 40.6815 175.5246 508 N 3.9871 9.4481 122.5849 54.8918 35.8401 173.7314 509 D 4.4740 8.3875 111.2364 54.9126 38.9967 173.7329 510 K 4.6265 7.8002 118.8283 54.6598 35.9381 174.8824 511 M 4.6020 8.7323 127.3472 56.0119 32.9669 174.8343 512 H 5.0134 9.5392 123.3107 53.9734 32.6870 173.2247 513 F 4.9937 9.3320 120.9540 57.5140 40.7942 174.7699 514 S 4.8336 8.8958 114.3753 57.3075 66.0949 174.5640 515 L 4.8207 8.7504 125.6603 54.4912 42.9859 177.7380 516 K 4.1152 8.2165 123.1448 56.2318 30.5637 176.5897 517 E 4.1487 8.3389 120.5457 56.1965 31.1066 175.8638 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 445 G 8.35 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 0.00 446 P 0.00 4.05 0.00 2.13 2.06 0.00 3.83 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 2.03 2.16 0.00 447 L 8.33 3.57 0.00 1.72 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *451 D 8.00 4.48 0.00 2.66 2.20 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 0.00 452 V 9.06 4.00 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 0.97 0.00 0.00 0.95 0.00 0.00 453 Q 8.39 4.57 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 454 V 8.32 3.41 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 0.20 0.00 0.00 0.80 0.00 0.00 455 T 7.77 4.69 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 1.22 0.00 0.00 456 E 8.57 3.89 0.00 2.01 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 2.34 0.00 457 D 8.09 4.27 0.00 2.82 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 0.00 458 A 8.09 3.93 1.63 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 0.00 459 V 8.04 3.89 2.22 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 1.10 0.00 0.00 0.91 0.00 0.00 460 R 8.49 3.91 0.00 1.91 2.15 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 461 R 8.05 3.91 0.00 1.83 1.79 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 462 Y 7.99 4.26 0.00 3.27 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 0.00 463 L 8.48 4.38 0.00 1.75 1.81 0.94 1.21 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 0.00 464 T 7.71 4.02 4.40 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 1.22 0.00 0.00 465 R 7.80 4.12 0.00 2.01 2.05 0.00 3.20 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 466 K 7.06 4.40 0.00 1.80 1.76 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.39 7.81 467 P 0.00 4.75 0.00 1.97 2.07 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 468 M 9.27 5.19 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 469 T 8.74 4.38 4.15 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 0.00 0.00 0.87 0.00 0.00 470 T 8.60 4.03 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 1.49 0.00 0.00 471 K 8.01 3.92 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 472 D 7.94 4.33 0.00 2.96 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 0.00 473 L 7.98 4.09 0.00 1.96 1.86 0.97 0.71 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 0.00 474 L 8.20 4.16 0.00 1.88 1.76 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 475 K 7.80 4.10 0.00 1.88 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 476 K 7.59 3.89 0.00 0.81 0.74 0.00 1.01 0.00 0.00 1.32 0.00 0.00 2.70 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.09 0.21 7.81 477 F 7.37 4.95 0.00 3.02 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 0.00 478 Q 7.71 4.21 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 479 T 8.69 3.90 4.36 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 1.25 0.00 0.00 480 K 8.10 4.12 0.00 1.94 2.00 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.54 7.81 481 K 8.07 4.33 0.00 1.87 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.43 7.81 482 T 7.94 4.24 4.28 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 1.39 0.00 0.00 483 G 8.43 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 0.00 484 L 7.58 4.31 0.00 1.68 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 485 S 8.75 4.51 0.00 4.07 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 0.00 486 S 8.49 4.16 0.00 4.08 4.17 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 0.00 487 E 8.08 3.95 0.00 2.05 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 2.37 2.39 0.00 488 Q 8.09 4.00 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 489 T 7.89 3.80 4.40 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 1.23 0.00 0.00 490 V 7.77 3.58 2.07 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 1.03 0.00 0.00 0.96 0.00 0.00 491 N 8.17 4.32 0.00 3.02 2.83 0.00 0.00 6.82 7.48 0.00 0.00 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 V 7.79 3.63 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 0.78 0.00 0.00 0.84 0.00 0.00 493 L 7.94 3.84 0.00 1.75 1.66 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 494 A 8.01 3.90 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 0.00 495 Q 7.75 3.90 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 496 I 7.61 3.59 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.83 0.00 0.00 497 L 8.05 3.75 0.00 1.51 1.27 0.58 0.43 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 0.00 498 K 7.99 3.95 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 499 R 7.62 4.06 0.00 1.92 1.96 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 500 L 8.10 4.00 0.00 1.53 1.70 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 501 N 8.05 4.12 0.00 2.89 2.80 0.00 0.00 7.24 7.20 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 0.00 502 P 0.00 4.62 0.00 2.29 2.08 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 503 E 8.71 4.24 0.00 2.15 1.91 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 2.36 2.33 0.00 504 R 8.53 5.00 0.00 1.61 1.69 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.78 0.00 505 K 9.17 4.65 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.38 7.81 506 M 8.56 4.76 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 507 I 8.55 4.42 1.37 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.81 0.00 0.00 508 N 9.45 3.99 0.00 2.88 2.89 0.00 0.00 7.15 8.06 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 0.00 509 D 8.39 4.47 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 0.00 510 K 7.80 4.63 0.00 1.85 1.78 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.34 7.81 511 M 8.73 4.60 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 512 H 9.54 5.01 0.00 3.14 3.23 0.00 5.85 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 0.00 513 F 9.33 4.99 0.00 3.19 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 0.00 514 S 8.90 4.83 0.00 3.95 3.70 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 0.00 0.00 0.00 0.00 515 L 8.75 4.82 0.00 1.67 1.64 0.95 1.17 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 0.00 516 K 8.22 4.12 0.00 1.78 1.77 0.00 2.09 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 517 E 8.34 4.15 0.00 2.19 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 2.22 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.