NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 554 K 4.3524 8.4145 122.1571 55.0270 34.3157 177.5472 555 M 4.0831 7.5608 118.1367 55.2980 31.8620 177.6346 556 W 4.7841 7.6869 117.1510 57.7695 30.8969 175.0271 557 K 4.8026 8.9164 120.2443 54.0268 35.3402 173.9919 558 P 4.5956 0.0000 0.0000 63.8506 31.6226 176.0359 559 G 4.1437 8.6948 112.0615 45.9223 0.0000 174.3248 560 D 4.5900 8.1160 119.9996 54.6022 41.7549 176.0794 561 E 4.7954 8.7659 122.6135 56.3456 31.1452 175.1739 562 C 4.6838 8.3867 116.2050 58.0435 33.9589 172.0612 563 F 5.2696 9.6570 118.6191 56.0710 40.6855 174.8323 564 A 5.3893 8.8896 126.2962 49.7254 21.7658 175.3054 565 L 4.0328 8.6429 124.4290 55.2287 42.8492 175.7187 566 Y 4.7818 8.9957 129.0785 56.3026 39.6546 176.4551 567 W 4.1341 8.3431 123.8172 59.4899 28.7568 177.2233 568 E 3.2904 5.9000 117.6340 58.1485 27.5284 177.2792 569 D 4.7379 7.4133 114.3488 51.9016 40.6292 175.3794 570 N 4.2946 7.7307 115.8847 54.5690 36.9284 173.8700 571 K 4.5423 7.1480 115.0147 54.6444 35.5717 175.7759 572 F 5.1981 8.3769 120.2001 57.0913 40.4903 175.0706 573 Y 5.2083 9.4315 121.2869 56.6287 42.9214 175.4239 574 R 4.0417 9.0013 122.1435 57.5689 30.5151 175.7598 575 A 4.9726 8.8519 125.6952 48.9633 23.5701 173.7961 576 E 4.8352 8.8337 120.0089 53.9720 32.6284 175.4442 577 V 3.7809 8.8236 127.8711 63.5904 32.1642 175.4028 578 E 4.5364 9.4802 126.6628 57.5648 31.4781 176.1042 579 A 4.8170 7.7866 118.6728 50.3648 23.1291 174.5470 580 L 5.0421 8.4070 118.6570 53.1116 44.6299 175.9402 581 H 4.6547 8.8951 123.1646 55.3863 30.6493 176.5332 582 S 4.2613 8.6129 119.6461 61.0814 62.9700 175.8295 583 S 4.1252 8.0998 115.0568 59.4160 62.8944 175.2461 584 G 3.9756 8.4898 108.2495 46.1968 0.0000 173.6330 585 M 4.7150 7.9504 120.7558 55.6379 34.6016 175.9906 586 T 5.2456 7.8567 106.9166 59.8738 72.8322 172.8042 587 A 5.2066 9.0205 124.3987 50.2155 22.9325 175.2690 588 V 4.5372 8.7434 120.2306 61.8707 33.1488 175.3088 589 V 4.6824 9.0232 121.3732 59.3420 34.9724 174.5126 590 K 4.4312 8.6103 126.1663 54.5723 33.8256 175.3525 591 F 4.3430 8.7668 127.5717 57.2934 39.2945 177.1830 592 I 3.6698 8.5680 125.2222 64.1986 37.3142 177.6791 593 D 4.1595 7.9602 119.4905 57.0896 40.6777 176.8192 594 Y 4.5900 7.4408 112.9879 57.0968 39.0737 176.4395 595 G 3.8235 8.2115 108.0336 46.1036 0.0000 173.1688 596 N 4.8351 7.9443 117.0016 52.2924 39.0704 173.4034 597 Y 5.0365 8.8416 119.7428 57.4743 39.5053 174.7421 598 E 4.9816 9.4588 122.3103 54.7981 34.7616 173.8812 599 E 4.8634 8.9084 124.1350 55.7107 30.7019 175.8366 600 V 4.6610 8.7137 119.9699 59.0544 35.8292 175.4806 601 L 4.4962 8.6105 124.0745 54.8964 42.1079 178.5394 602 L 4.1369 8.6957 122.9036 57.5963 41.7964 179.7249 603 S 4.3029 8.1388 112.0840 60.5860 63.5436 174.4436 604 N 5.0513 8.3328 118.0682 53.1346 38.4183 173.6678 605 I 5.0626 7.4139 119.7816 59.5023 39.2234 175.3174 606 K 5.0092 9.2567 125.5780 53.6629 36.0835 174.1392 607 P 4.8896 0.0000 0.0000 62.9481 32.2549 176.5972 608 I 4.2059 8.4091 121.7674 61.8962 37.1138 176.1128 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 554 K 8.41 4.35 0.00 1.79 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 555 M 7.56 4.08 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.19 0.00 556 W 7.69 4.78 0.00 3.26 3.07 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 0.00 557 K 8.92 4.80 0.00 1.97 1.90 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.25 7.81 558 P 0.00 4.60 0.00 2.09 2.27 0.00 3.69 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 2.06 2.12 0.00 559 G 8.69 4.14 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 0.00 560 D 8.12 4.59 0.00 2.94 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 0.00 561 E 8.77 4.80 0.00 1.83 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 0.00 2.26 2.21 0.00 562 C 8.39 4.68 0.00 2.85 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 0.00 563 F 9.66 5.27 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 A 8.89 5.39 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 565 L 8.64 4.03 0.00 1.39 1.58 0.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 9.00 4.78 0.00 2.73 2.87 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 0.00 567 W 8.34 4.13 0.00 3.40 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 0.00 568 E 5.90 3.29 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 569 D 7.41 4.74 0.00 2.77 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 0.00 570 N 7.73 4.29 0.00 2.84 2.83 0.00 0.00 6.79 7.38 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 0.00 571 K 7.15 4.54 0.00 1.73 1.34 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.51 7.81 572 F 8.38 5.20 0.00 2.81 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 0.00 573 Y 9.43 5.21 0.00 3.15 2.89 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 0.00 0.00 0.00 574 R 9.00 4.04 0.00 1.50 1.85 0.00 3.19 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 575 A 8.85 4.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 E 8.83 4.84 0.00 1.95 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 0.00 2.11 2.23 0.00 577 V 8.82 3.78 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 0.61 0.00 0.00 578 E 9.48 4.54 0.00 2.06 2.08 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 2.46 2.54 0.00 579 A 7.79 4.82 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 0.00 580 L 8.41 5.04 0.00 1.56 1.62 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 581 H 8.90 4.65 0.00 3.33 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.61 4.26 0.00 3.98 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 0.00 583 S 8.10 4.13 0.00 4.07 4.19 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 0.00 584 G 8.49 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 585 M 7.95 4.71 0.00 1.94 2.12 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 2.56 2.49 0.00 586 T 7.86 5.25 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 587 A 9.02 5.21 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 0.00 588 V 8.74 4.54 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 0.92 0.00 0.00 0.98 0.00 0.00 589 V 9.02 4.68 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 0.46 0.00 0.00 0.44 0.00 0.00 590 K 8.61 4.43 0.00 1.10 1.36 0.00 1.31 0.00 0.00 0.89 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.75 7.81 591 F 8.77 4.34 0.00 3.07 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 0.00 592 I 8.57 3.67 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.83 0.00 0.00 593 D 7.96 4.16 0.00 1.82 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 0.00 0.00 0.00 594 Y 7.44 4.59 0.00 2.95 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 0.00 595 G 8.21 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 N 7.94 4.84 0.00 2.97 3.04 0.00 0.00 6.11 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 0.00 597 Y 8.84 5.04 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 E 9.46 4.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.14 0.00 599 E 8.91 4.86 0.00 2.00 1.87 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 2.27 2.46 0.00 600 V 8.71 4.66 2.17 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 0.93 0.00 0.00 0.91 0.00 0.00 601 L 8.61 4.50 0.00 1.76 1.64 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.70 4.14 0.00 1.84 1.93 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.14 4.30 0.00 4.07 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 0.00 604 N 8.33 5.05 0.00 3.06 2.98 0.00 0.00 6.65 7.34 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 0.00 605 I 7.41 5.06 1.80 0.00 0.00 0.53 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 0.73 -0.19 0.00 0.00 606 K 9.26 5.01 0.00 1.61 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.14 7.81 607 P 0.00 4.89 0.00 2.03 2.08 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 608 I 8.41 4.21 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.96 0.00 0.00