NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 451 D 4.8099 8.3493 120.3216 53.0279 40.4555 174.8974 452 V 3.6707 7.5242 123.6644 62.0958 32.5734 174.5728 453 Q 4.7665 8.5049 120.8177 53.7382 32.2479 176.8487 454 V 3.0930 7.9857 122.1262 62.8105 31.4425 175.5581 455 T 4.7188 7.9578 117.0164 58.8603 73.1547 174.4716 456 E 3.8752 8.5091 120.3957 59.9390 29.5889 179.4920 457 D 4.3467 8.0906 117.8718 57.1851 40.6787 178.6809 458 A 3.8608 7.4377 120.4493 54.9493 18.3951 179.8503 459 V 2.5985 7.3821 116.3296 65.5879 31.5626 178.4111 460 R 3.9165 7.6192 118.2023 59.2155 29.4107 179.1574 461 R 4.0226 7.4367 115.1579 59.3563 29.4059 178.6267 462 Y 4.3684 7.2679 117.2969 61.1362 37.6062 177.9070 463 L 4.4833 8.1434 120.8099 57.2830 41.9335 179.0620 464 T 3.9722 7.9646 110.1051 64.8741 68.4289 175.6931 465 R 4.1612 7.4467 119.7348 57.0525 30.8329 176.4174 466 K 4.2509 7.8381 114.9015 54.3590 35.8112 172.6684 467 P 4.6814 0.0000 0.0000 63.9493 32.0479 174.8232 468 M 4.9213 8.4343 116.7060 54.5237 34.9483 173.3755 469 T 4.0246 7.9072 109.3743 59.8910 71.6547 175.4638 470 T 4.0790 9.1647 113.5054 65.2808 68.4497 176.3951 471 K 3.9452 8.0846 120.9139 59.2524 31.8123 178.7311 472 D 4.0588 8.1951 118.1017 57.1040 39.5541 178.0377 473 L 4.0631 8.6917 122.2006 57.6441 42.1136 178.7703 474 L 4.5428 8.3349 119.9535 58.7277 40.6563 179.0089 475 K 3.9399 8.6042 119.3862 59.0956 32.0040 178.9919 476 K 4.0522 7.4828 117.0605 60.2821 32.5800 178.8704 477 F 4.2161 7.4733 117.9916 57.6619 39.3612 177.1211 478 Q 3.2762 8.4546 116.5817 56.2960 28.5591 174.7406 479 T 4.4716 8.1551 111.6029 64.4136 68.6630 176.7979 480 K 4.0118 7.4992 120.9222 59.3272 32.5188 177.4391 481 K 4.5128 8.0494 114.3265 58.1780 35.7204 178.4085 482 T 4.4747 7.7043 106.2856 62.1699 68.4545 174.4873 483 G 3.9272 7.7372 109.3039 46.1378 0.0000 172.8060 484 L 4.5361 7.5517 119.0880 52.4333 43.1014 177.1133 485 S 4.2746 8.5237 119.1799 57.7661 64.1769 175.3521 486 S 4.0401 8.6007 121.1035 61.1244 62.8438 176.3206 487 E 4.2907 7.9928 120.7727 58.8526 29.7838 178.4499 488 Q 3.9936 7.9354 117.5185 59.3482 28.5732 178.5829 489 T 3.7866 8.5417 117.2177 66.6430 68.3551 176.4930 490 V 3.7304 7.5553 119.4176 65.5887 31.6505 177.3383 491 N 4.3371 8.0820 115.9398 55.9022 38.2491 176.1250 492 V 4.1150 8.0152 119.1528 62.1283 32.2977 177.4409 493 L 4.1820 7.4458 120.9056 57.3479 41.2414 178.0195 494 A 3.9883 8.6527 121.5151 55.2511 18.0576 179.5948 495 Q 4.1843 7.9259 114.5194 59.5562 29.1477 178.3564 496 I 3.9313 7.3048 118.2781 63.3451 37.1974 177.9826 497 L 4.0043 8.0883 120.6766 57.9931 41.4307 179.7948 498 K 3.9230 7.4989 118.5629 60.0559 32.1196 179.1549 499 R 3.9296 7.5850 117.8274 58.6245 29.9015 178.6216 500 L 4.0089 7.6977 118.5973 56.7244 42.8155 177.0816 501 N 4.1162 7.5538 114.2701 53.9652 37.7095 170.4562 502 P 5.0002 0.0000 0.0000 61.6325 34.5661 174.3058 503 E 4.9427 8.0485 116.0679 54.8472 32.7584 175.7720 504 R 4.7116 8.6494 120.3124 56.2512 30.6410 175.7145 505 K 4.6962 9.1429 120.7997 55.5911 37.5653 174.6315 506 M 4.8585 8.5134 119.8984 54.0378 32.6547 175.8503 507 I 3.9054 8.9486 126.9363 60.5164 37.3894 175.9015 508 N 4.0072 9.2958 126.0750 54.8149 36.9091 173.9649 509 D 4.5171 8.3989 112.1080 54.1621 40.2576 172.2887 510 K 4.4768 7.5808 118.7911 54.2617 34.1461 174.7197 511 M 4.4324 8.6683 125.4192 56.2696 32.4810 175.2751 512 H 4.4676 9.7710 123.1101 53.4534 32.1653 172.8632 513 F 5.2632 6.7948 118.9540 55.3956 39.5344 175.1127 514 S 4.8012 8.4234 117.5923 58.0756 66.7731 174.9426 515 L 5.2300 8.6422 122.9226 53.7562 43.3145 176.3889 516 K 4.3962 8.3213 117.7917 54.8684 33.8548 176.0486 517 E 4.1275 8.8174 121.2241 56.5347 29.4273 176.8868 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 451 D 8.35 4.81 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.67 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 0.88 0.00 0.00 1.21 0.00 0.00 453 Q 8.50 4.77 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 454 V 7.99 3.09 1.71 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 0.64 0.00 0.00 -0.52 0.00 0.00 455 T 7.96 4.72 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 456 E 8.51 3.88 0.00 2.00 2.01 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 2.37 2.38 0.00 457 D 8.09 4.35 0.00 2.73 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 0.00 458 A 7.44 3.86 1.44 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 0.00 0.00 0.00 459 V 7.38 2.60 2.01 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 1.21 0.00 0.00 1.07 0.00 0.00 460 R 7.62 3.92 0.00 1.86 1.94 0.00 3.32 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 461 R 7.44 4.02 0.00 2.21 2.16 0.00 2.95 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 462 Y 7.27 4.37 0.00 3.25 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 0.00 463 L 8.14 4.48 0.00 1.76 1.75 0.97 1.05 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 0.00 464 T 7.96 3.97 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 1.30 0.00 0.00 465 R 7.45 4.16 0.00 2.11 2.14 0.00 3.32 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 466 K 7.84 4.25 0.00 1.62 1.61 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.33 7.81 467 P 0.00 4.68 0.00 2.13 2.08 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 468 M 8.43 4.92 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 469 T 7.91 4.02 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 0.61 0.00 0.00 470 T 9.16 4.08 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 1.30 0.00 0.00 471 K 8.08 3.95 0.00 1.86 1.92 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.61 7.81 472 D 8.20 4.06 0.00 2.65 2.77 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 0.00 0.00 0.00 473 L 8.69 4.06 0.00 2.09 1.90 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 474 L 8.33 4.54 0.00 2.05 2.02 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 475 K 8.60 3.94 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 476 K 7.48 4.05 0.00 1.65 1.74 0.00 0.89 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.20 7.81 477 F 7.47 4.22 0.00 3.39 3.04 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 0.00 478 Q 8.45 3.28 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 479 T 8.16 4.47 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 1.21 0.00 0.00 480 K 7.50 4.01 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.61 7.81 481 K 8.05 4.51 0.00 1.78 1.80 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.38 7.81 482 T 7.70 4.47 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 1.36 0.00 0.00 483 G 7.74 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 0.00 0.00 0.00 484 L 7.55 4.54 0.00 1.63 1.58 0.92 0.51 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 0.00 485 S 8.52 4.27 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 486 S 8.60 4.04 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 0.00 487 E 7.99 4.29 0.00 2.01 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 2.36 2.39 0.00 488 Q 7.94 3.99 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 489 T 8.54 3.79 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 1.30 0.00 0.00 490 V 7.56 3.73 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 1.06 0.00 0.00 1.05 0.00 0.00 491 N 8.08 4.34 0.00 2.74 3.00 0.00 0.00 7.17 7.03 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 0.00 492 V 8.02 4.11 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 0.87 0.00 0.00 0.85 0.00 0.00 493 L 7.45 4.18 0.00 2.01 1.83 1.05 1.12 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 0.00 494 A 8.65 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 0.00 495 Q 7.93 4.18 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 496 I 7.30 3.93 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.95 0.96 0.00 0.00 497 L 8.09 4.00 0.00 1.80 1.64 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 498 K 7.50 3.92 0.00 2.09 2.01 0.00 1.40 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 499 R 7.59 3.93 0.00 1.86 2.12 0.00 3.31 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 500 L 7.70 4.01 0.00 1.71 1.77 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 501 N 7.55 4.12 0.00 2.77 2.82 0.00 0.00 7.23 7.57 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 0.00 502 P 0.00 5.00 0.00 2.44 2.16 0.00 3.78 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 2.03 2.04 0.00 503 E 8.05 4.94 0.00 1.93 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 0.00 2.23 2.38 0.00 504 R 8.65 4.71 0.00 1.94 2.06 0.00 3.11 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 505 K 9.14 4.70 0.00 1.69 1.68 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.61 7.81 506 M 8.51 4.86 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 507 I 8.95 3.91 1.05 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 1.03 0.82 0.71 0.00 0.00 508 N 9.30 4.01 0.00 2.75 2.80 0.00 0.00 7.21 8.45 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 0.00 509 D 8.40 4.52 0.00 2.82 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 0.00 510 K 7.58 4.48 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 511 M 8.67 4.43 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 512 H 9.77 4.47 0.00 2.98 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 F 6.79 5.26 0.00 3.04 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 0.00 514 S 8.42 4.80 0.00 3.97 3.77 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 0.00 0.00 0.00 515 L 8.64 5.23 0.00 1.68 1.66 0.94 0.39 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 0.00 516 K 8.32 4.40 0.00 1.81 1.82 0.00 1.48 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.49 7.81 517 E 8.82 4.13 0.00 2.10 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 0.00 2.38 2.32 0.00