NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 R 4.1151 8.2544 117.2755 56.9965 30.7142 172.8981 544 L 3.3907 8.2964 122.7442 54.1097 42.7401 172.9812 545 N 4.7547 9.0663 122.0841 51.8002 41.7843 173.9810 546 P 4.3537 0.0000 0.0000 65.6794 31.3994 178.8608 547 V 3.5825 7.6768 116.6837 66.2061 31.6148 177.9253 548 Q 4.2501 8.0463 117.3193 58.7676 28.5846 178.3596 549 L 4.0471 8.4746 121.7986 58.4196 42.1827 178.6530 550 E 4.4109 8.2786 119.7662 58.7354 29.3467 179.1856 551 L 4.0066 8.1037 120.0338 58.3129 41.8051 178.8164 552 L 4.0005 8.2419 119.0138 58.0631 41.4567 179.2572 553 N 4.4294 8.2212 116.0063 56.5351 38.5325 177.5719 554 K 4.0236 8.2545 119.7031 59.4419 32.0346 179.2305 555 L 3.9875 8.7637 121.2607 58.1685 42.0929 177.7852 556 H 4.3849 9.4110 117.0852 57.0162 29.7910 175.7119 557 L 4.4234 7.7567 118.2608 55.0612 42.7547 176.5402 558 E 4.4529 8.0620 118.2759 57.6336 31.1664 176.7253 559 T 4.0991 7.9805 110.4740 61.0674 67.9568 174.3662 560 K 4.0502 7.7758 118.0615 55.8784 30.0898 174.5409 561 L 4.9920 7.0188 115.7181 54.7892 40.2644 172.8456 562 N 4.1605 7.9427 125.2635 53.8489 39.8828 172.7501 563 A 3.7952 8.3134 125.1195 55.6915 17.9100 179.7729 564 E 3.9830 7.7026 117.7340 58.5927 30.6471 179.2016 565 Y 4.0613 8.3319 116.3186 61.4263 38.1338 177.9891 566 T 3.8272 9.6277 113.9965 65.3962 67.2226 175.4349 567 F 3.9885 9.0960 123.1503 61.5631 39.3757 176.4874 568 M 3.7623 7.9849 119.1836 57.6606 31.7516 177.8339 569 L 3.8442 7.7690 119.8614 57.4091 42.2758 178.4850 570 A 3.4636 7.7798 121.1175 53.6467 18.0397 178.7382 571 E 3.6758 6.7673 115.1804 57.9622 30.6319 177.8000 572 Q 4.1181 7.7690 116.9172 56.9742 29.0824 176.6234 573 S 4.4875 7.8806 112.5749 57.4626 63.2321 174.7952 574 N 4.4984 8.2829 115.5467 53.5706 36.3336 174.0238 575 W 3.5339 7.4656 115.6000 57.9063 26.6999 175.8347 576 N 4.4871 7.5219 116.8738 54.9627 38.9118 172.8988 577 Y 4.3958 7.9639 121.0804 56.2849 37.0363 171.9690 578 E 3.5630 8.9680 120.0845 59.6350 30.0605 179.5170 579 V 3.5993 7.7783 118.0914 64.8978 31.5639 177.2395 580 A 3.8852 8.0992 120.6196 55.3376 18.0779 178.9766 581 I 3.4636 8.2711 115.8784 64.9623 37.1397 178.2759 582 K 3.8717 8.2062 120.1392 59.7114 32.3579 179.0415 583 G 3.9215 9.5862 105.6350 47.9119 0.0000 174.9624 584 F 4.3401 8.3949 123.5177 61.1121 39.2907 177.0305 585 Q 3.4264 7.7067 114.7606 56.7939 28.5297 177.0561 586 S 3.9322 8.5291 116.0457 59.3788 61.8886 175.0848 587 S 3.9118 9.2288 116.4418 63.2244 63.9576 176.1832 588 M 3.0960 7.1373 114.9626 55.3317 29.5967 175.2555 589 N 4.4577 7.2379 120.3301 53.6175 42.9757 174.5652 590 G 4.1083 8.1130 103.3479 45.8162 0.0000 173.3202 591 I 3.7188 7.9539 113.5892 60.6165 37.8848 174.9601 592 P 4.6766 0.0000 0.0000 62.2288 33.9374 176.7376 593 R 3.9049 8.3605 115.3101 58.3072 30.1029 178.3352 594 E 3.9614 7.8246 117.7183 58.8653 30.0231 178.2612 595 A 3.3435 7.2103 120.2147 53.2018 18.6705 176.4459 596 F 4.3563 7.8474 121.1729 57.2018 38.1526 175.5049 597 V 3.6438 7.7696 122.6445 60.3696 30.4034 176.2954 598 Q 3.8823 8.2129 120.0718 56.3378 26.6513 174.1950 599 F 4.2377 8.4713 121.1503 57.8308 40.0866 174.4241 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 543 R 8.25 4.12 0.00 1.90 2.03 0.00 3.07 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 544 L 8.30 3.39 0.00 1.87 1.70 1.01 0.77 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 0.00 545 N 9.07 4.75 0.00 2.97 2.60 0.00 0.00 7.42 7.49 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 0.00 546 P 0.00 4.35 0.00 2.19 2.13 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 547 V 7.68 3.58 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 1.07 0.00 0.00 0.92 0.00 0.00 548 Q 8.05 4.25 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 5.75 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 549 L 8.47 4.05 0.00 1.68 1.87 0.99 0.96 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 0.00 550 E 8.28 4.41 0.00 2.26 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 2.49 2.35 0.00 551 L 8.10 4.01 0.00 1.89 2.00 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 552 L 8.24 4.00 0.00 1.95 1.81 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 553 N 8.22 4.43 0.00 2.97 2.90 0.00 0.00 7.10 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 K 8.25 4.02 0.00 1.97 2.10 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.60 7.81 555 L 8.76 3.99 0.00 1.97 1.75 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 556 H 9.41 4.38 0.00 3.04 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 L 7.76 4.42 0.00 1.77 1.62 0.86 0.72 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 0.00 558 E 8.06 4.45 0.00 2.09 1.93 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 2.27 2.34 0.00 559 T 7.98 4.10 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 1.19 0.00 0.00 560 K 7.78 4.05 0.00 0.79 1.00 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.73 0.66 7.81 561 L 7.02 4.99 0.00 1.73 1.28 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 562 N 7.94 4.16 0.00 3.12 2.92 0.00 0.00 7.05 8.40 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 0.00 563 A 8.31 3.80 1.21 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 0.00 0.00 0.00 564 E 7.70 3.98 0.00 2.01 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 2.32 2.41 0.00 565 Y 8.33 4.06 0.00 3.50 3.10 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 0.00 0.00 0.00 0.00 566 T 9.63 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 567 F 9.10 3.99 0.00 3.12 3.23 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 0.00 568 M 7.98 3.76 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 569 L 7.77 3.84 0.00 1.67 1.65 0.99 0.76 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 0.00 570 A 7.78 3.46 0.34 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 0.00 571 E 6.77 3.68 0.00 2.15 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 1.60 2.06 0.00 572 Q 7.77 4.12 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 573 S 7.88 4.49 0.00 3.98 3.96 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 0.00 574 N 8.28 4.50 0.00 3.03 3.07 0.00 0.00 6.93 6.96 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 0.00 575 W 7.47 3.53 0.00 3.43 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.52 4.49 0.00 2.81 2.82 0.00 0.00 7.12 8.94 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 0.00 577 Y 7.96 4.40 0.00 3.19 3.11 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 0.00 578 E 8.97 3.56 0.00 2.14 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 2.35 2.38 0.00 579 V 7.78 3.60 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 0.78 0.00 0.00 0.91 0.00 0.00 580 A 8.10 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 I 8.27 3.46 1.71 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.92 0.00 0.00 582 K 8.21 3.87 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.42 7.81 583 G 9.59 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.34 0.00 3.07 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 3.43 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.20 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 586 S 8.53 3.93 0.00 3.73 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 S 9.23 3.91 0.00 3.90 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 0.00 588 M 7.14 3.10 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 589 N 7.24 4.46 0.00 2.69 2.69 0.00 0.00 6.96 7.95 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 0.00 590 G 8.11 4.11 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 0.00 591 I 7.95 3.72 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 1.03 0.00 0.00 592 P 0.00 4.68 0.00 2.25 2.29 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 593 R 8.36 3.90 0.00 1.73 1.83 0.00 3.21 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 594 E 7.82 3.96 0.00 1.71 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 595 A 7.21 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 F 7.85 4.36 0.00 2.98 3.26 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 0.00 597 V 7.77 3.64 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 0.72 0.00 0.00 0.94 0.00 0.00 598 Q 8.21 3.88 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 599 F 8.47 4.24 0.00 3.06 2.97 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