NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 S 4.4579 8.1814 115.4125 58.3744 65.3626 175.7830 547 G 3.5710 7.9596 107.8173 46.8018 0.0000 174.2480 548 I 3.6961 7.8213 121.8158 64.3413 37.8273 176.8716 549 V 3.5600 7.7275 118.6092 65.8511 31.3673 177.5959 550 Q 3.9216 8.5666 119.6878 59.3364 28.9200 178.0456 551 Q 3.9708 8.4363 120.8798 59.3640 28.9765 178.2177 552 Q 4.0167 8.3862 119.3167 58.9628 28.6800 178.4381 553 N 4.3065 8.0749 117.6254 56.7604 39.0325 176.7954 554 N 4.3606 8.1450 117.9831 56.0773 38.5083 177.5453 555 L 3.9261 8.3263 120.8858 57.7115 41.8113 179.0686 556 L 3.9202 8.1652 120.6054 58.4817 41.8978 179.3422 557 R 3.9281 8.2483 117.6550 59.0328 29.9007 178.9272 558 A 3.9694 7.8972 120.7420 55.1682 18.2782 179.7906 559 I 3.6639 8.0034 118.5334 64.5592 37.1870 178.5870 560 E 3.8894 8.3587 119.2957 59.2088 29.2771 179.2501 561 A 3.9066 8.2194 121.1368 55.2759 18.4578 179.7691 562 Q 3.9993 8.2165 116.6144 58.7878 28.7299 178.6169 563 Q 3.9900 8.2705 121.2589 59.4540 29.0800 177.9510 564 H 4.2631 8.0732 117.1733 58.9158 28.6925 177.6555 565 L 4.0077 7.9179 120.6342 57.8687 41.4545 179.5332 566 L 4.0114 8.3654 119.1653 58.1053 41.4964 179.7137 567 Q 4.1046 8.2990 117.8302 58.8277 28.5821 178.8949 568 L 4.0933 7.9437 120.4997 57.9070 41.6495 179.4987 569 T 3.9793 8.2192 109.9778 64.7987 68.5365 176.7886 570 V 3.5882 7.9593 121.1524 65.4706 31.5988 177.7219 571 W 4.1975 8.7103 128.6540 60.4388 30.4839 178.2086 572 G 3.6227 8.4946 105.6684 47.7767 0.0000 175.7977 573 I 3.6734 8.0440 122.7328 64.1249 37.1843 178.7740 574 K 3.9110 8.2170 119.6115 59.3134 31.5676 179.4341 575 Q 3.6400 7.2682 117.4303 58.9711 28.6960 178.7445 576 L 4.0443 7.7723 119.8460 57.6446 41.7176 179.3428 577 Q 3.8956 8.4597 119.8850 58.9660 28.7254 178.0840 578 A 4.0123 7.9410 121.1560 54.3537 18.4681 178.7605 579 R 4.4365 7.3986 113.9096 56.1900 30.8836 176.5413 580 I 4.6834 7.3032 119.5450 60.2426 38.6263 175.0057 581 L 4.1520 7.9559 127.1157 56.0818 42.1179 173.0918 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 546 S 8.18 4.46 0.00 4.02 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 0.00 547 G 7.96 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 I 7.82 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 549 V 7.73 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 550 Q 8.57 3.92 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 551 Q 8.44 3.97 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 552 Q 8.39 4.02 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 553 N 8.07 4.31 0.00 2.89 2.95 0.00 0.00 7.20 6.28 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 0.00 554 N 8.15 4.36 0.00 2.97 2.84 0.00 0.00 7.05 6.76 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 0.00 555 L 8.33 3.93 0.00 1.80 1.70 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 556 L 8.17 3.92 0.00 1.83 1.82 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 557 R 8.25 3.93 0.00 2.10 1.95 0.00 3.17 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 558 A 7.90 3.97 1.40 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 0.00 0.00 0.00 559 I 8.00 3.66 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.90 0.00 0.00 560 E 8.36 3.89 0.00 2.11 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 2.30 2.52 0.00 561 A 8.22 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 Q 8.22 4.00 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 563 Q 8.27 3.99 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 564 H 8.07 4.26 0.00 3.41 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 L 7.92 4.01 0.00 1.98 1.74 0.93 0.65 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 0.00 566 L 8.37 4.01 0.00 1.87 1.75 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 567 Q 8.30 4.10 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 568 L 7.94 4.09 0.00 1.88 1.73 0.90 0.56 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 0.00 569 T 8.22 3.98 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 1.29 0.00 0.00 570 V 7.96 3.59 2.29 0.00 0.00 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 1.00 0.00 0.00 571 W 8.71 4.20 0.00 3.40 3.40 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 0.00 572 G 8.49 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 573 I 8.04 3.67 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.88 0.00 0.00 574 K 8.22 3.91 0.00 1.58 1.73 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.65 7.81 575 Q 7.27 3.64 0.00 1.66 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.27 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 576 L 7.77 4.04 0.00 1.62 1.65 0.90 0.56 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 0.00 577 Q 8.46 3.90 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 578 A 7.94 4.01 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 0.00 579 R 7.40 4.44 0.00 1.71 1.94 0.00 3.05 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 580 I 7.30 4.68 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.89 0.00 0.00 581 L 7.96 4.15 0.00 1.65 1.46 0.90 0.90 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