NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3037 8.2649 123.5816 51.8955 19.9398 175.7955 4 L 4.4244 8.1794 120.5812 52.3194 43.4922 175.1363 5 A 4.2536 8.4747 126.2238 51.0582 20.3200 176.6186 6 K 4.0206 8.4225 121.9578 55.7651 32.5431 175.3179 7 P 4.6508 0.0000 0.0000 61.2088 32.7945 175.6297 8 Q 4.0185 8.5059 117.7136 57.1800 28.8050 176.9789 9 M 4.6844 8.6351 119.7834 54.6813 34.4093 175.7184 10 R 4.5801 7.3036 117.7442 55.2346 32.7112 175.6996 11 G 3.9462 8.6775 107.9368 47.0687 0.0000 176.2214 12 L 3.9636 8.0383 121.6885 57.1807 41.6612 178.4454 13 L 3.9255 7.9436 119.5740 58.3635 42.1046 178.8495 14 A 4.0184 7.9660 120.0250 54.9655 18.4346 179.4815 15 R 3.8395 8.1407 117.3662 59.6452 30.2295 178.6883 16 R 3.9841 8.1142 118.5622 59.2979 29.9659 178.2311 17 L 4.0062 8.1710 120.1648 58.1621 42.0811 178.9364 18 R 3.9076 8.1102 117.9600 59.4414 30.0463 178.2663 19 F 4.0739 8.1036 119.5748 62.4005 39.2831 177.1687 20 H 4.1902 8.6024 115.1941 58.4142 28.5711 178.0394 21 I 3.7147 8.2154 122.4454 64.3369 36.9604 178.5159 22 V 3.6935 8.0231 119.3251 65.8604 31.2429 178.1466 23 G 3.4916 8.0437 105.2968 47.8707 0.0000 175.4697 24 A 3.9908 8.1890 123.4688 54.5939 18.3547 179.4880 25 F 4.0892 8.3942 119.1949 61.7645 39.4977 176.9207 26 M 3.7882 8.1437 118.2198 58.6768 31.7881 178.6905 27 V 3.5714 8.0586 118.2172 66.3343 31.5106 178.3512 28 S 4.1001 8.0341 114.4502 62.1777 62.7601 176.4517 29 L 3.7650 7.4956 121.1394 58.1474 41.3359 180.0448 30 G 3.6686 8.2404 105.4088 47.5897 0.0000 175.4501 31 F 4.1572 8.4547 122.7450 61.2491 39.4689 176.7614 32 A 3.9822 8.4963 120.8888 55.8363 18.1384 179.6535 33 T 3.7954 7.9900 113.7041 66.7530 68.4975 176.3333 34 F 4.1606 8.2545 122.4007 61.8718 39.3378 176.7532 35 Y 3.4132 8.2923 119.1498 60.4065 38.7030 177.7823 36 K 4.1095 8.5724 119.2220 58.2490 31.6383 178.6226 37 F 4.2767 7.7353 120.4135 60.3195 39.7407 177.1162 38 A 3.5455 8.1693 118.5141 52.9731 18.5886 177.2042 39 V 3.7410 7.1203 114.7281 63.7458 33.6339 177.5293 40 A 3.8778 7.5408 120.5117 55.1945 18.4872 179.2994 41 E 3.8542 7.8488 116.8437 59.2479 29.4168 179.2458 42 K 3.6272 7.2476 119.4115 59.7294 32.1092 178.7398 43 R 3.9264 7.9760 118.7191 59.3752 30.0232 178.6452 44 K 4.1015 8.2023 118.3878 59.0563 31.9981 179.3867 45 K 3.9542 8.4623 120.3426 59.2639 32.2945 178.5959 46 A 3.9648 8.2251 121.3397 55.5795 18.2728 179.3306 47 Y 3.7165 8.2335 114.8166 60.9483 37.7805 178.4014 48 A 4.1295 8.2324 121.7416 55.4739 18.3525 179.2809 49 D 4.3455 8.4660 116.4171 57.5507 40.9047 178.7962 50 F 4.0031 7.7871 119.8491 61.2405 39.4819 176.2394 51 Y 4.4881 8.0461 114.2295 58.5797 37.7417 177.6019 52 R 4.0207 7.6752 120.7888 58.9879 30.2769 177.3600 53 N 5.0319 7.7908 112.6702 52.7935 39.4789 173.7468 54 Y 3.9692 7.5661 119.7825 57.5185 39.4185 175.3485 55 D 4.5356 7.7790 125.8106 52.0493 43.0850 176.4270 56 S 3.6920 7.9504 123.4968 61.3271 63.2514 175.8746 57 M 4.0824 7.9412 121.9048 58.2704 31.7749 178.5051 58 K 3.9330 8.2752 119.4788 59.3914 32.3751 178.3568 59 D 4.3350 7.9679 118.4967 57.2757 41.2399 177.9505 60 F 4.3981 8.7848 121.6774 61.4610 39.3385 176.7432 61 E 3.7293 8.7458 119.3372 58.9727 29.4732 178.4563 62 E 3.9000 8.1753 118.8135 59.7580 29.6754 179.3615 63 M 3.8926 7.7792 118.2428 58.1314 31.8956 178.5704 64 R 3.8932 8.1561 119.1063 59.6787 30.0117 178.6003 65 K 3.3563 7.9356 116.5807 59.3244 32.1175 178.3661 66 A 4.2275 7.5316 118.1908 51.9824 18.1087 177.8559 67 G 3.8392 8.8771 107.3023 46.0723 0.0000 176.2211 68 I 3.7100 7.2410 114.9424 62.5481 37.7540 176.2889 69 F 4.9977 6.9391 120.1640 56.2708 40.0689 175.7846 70 Q 4.1887 9.0369 126.0315 58.6579 29.1429 176.9311 71 S 4.4960 8.1615 109.6573 58.5332 63.9756 173.8640 72 A 4.6062 7.7303 122.8069 49.9745 19.2351 175.7932 73 K 4.2459 8.4845 119.1604 57.1427 32.1899 177.5192 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 3 A 8.26 4.30 1.26 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 0.00 0.00 4 L 8.18 4.42 0.00 1.71 1.58 0.92 0.50 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 5 A 8.47 4.25 1.23 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 0.00 0.00 6 K 8.42 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.65 0.00 2.20 2.02 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 Q 8.51 4.02 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 9 M 8.64 4.68 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 10 R 7.30 4.58 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 11 G 8.68 3.95 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 0.00 0.00 0.00 12 L 8.04 3.96 0.00 1.69 1.72 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.94 3.93 0.00 1.75 1.67 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.97 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.14 3.84 0.00 1.98 2.17 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 16 R 8.11 3.98 0.00 1.96 2.11 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 17 L 8.17 4.01 0.00 1.91 1.88 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.11 3.91 0.00 2.22 2.03 0.00 3.22 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 19 F 8.10 4.07 0.00 3.02 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.60 4.19 0.00 3.36 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.22 3.71 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.20 0.91 0.00 0.00 22 V 8.02 3.69 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 0.99 0.00 0.00 0.89 0.00 0.00 23 G 8.04 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.19 3.99 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 25 F 8.39 4.09 0.00 3.13 3.21 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 26 M 8.14 3.79 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 27 V 8.06 3.57 2.05 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 1.08 0.00 0.00 0.94 0.00 0.00 28 S 8.03 4.10 0.00 4.02 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 29 L 7.50 3.76 0.00 1.64 1.54 0.65 0.31 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 30 G 8.24 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.45 4.16 0.00 3.17 3.29 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 0.00 0.00 0.00 0.00 32 A 8.50 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.99 3.80 4.41 0.00 0.00 0.00 0.00 0.00 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 34 F 8.25 4.16 0.00 3.11 3.22 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 35 Y 8.29 3.41 0.00 2.41 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.57 4.11 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.52 7.81 37 F 7.74 4.28 0.00 2.96 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 38 A 8.17 3.55 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.12 3.74 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 0.00 0.00 0.54 0.00 0.00 0.31 0.00 0.00 40 A 7.54 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 3.85 0.00 2.04 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 2.50 2.46 0.00 42 K 7.25 3.63 0.00 1.47 1.75 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.27 7.81 43 R 7.98 3.93 0.00 1.93 2.00 0.00 3.11 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 1.59 1.84 0.00 44 K 8.20 4.10 0.00 1.98 1.86 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 45 K 8.46 3.95 0.00 1.91 1.75 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 46 A 8.23 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.23 3.72 0.00 3.20 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.23 4.13 1.42 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 0.00 0.00 49 D 8.47 4.35 0.00 2.67 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 50 F 7.79 4.00 0.00 2.87 2.78 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 0.00 0.00 0.00 51 Y 8.05 4.49 0.00 3.28 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 52 R 7.68 4.02 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.79 5.03 0.00 2.67 2.73 0.00 0.00 6.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.57 3.97 0.00 2.82 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 55 D 7.78 4.54 0.00 2.64 2.32 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 0.00 56 S 7.95 3.69 0.00 4.17 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 0.00 57 M 7.94 4.08 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 58 K 8.28 3.93 0.00 2.13 1.86 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 7.97 4.34 0.00 2.94 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 60 F 8.78 4.40 0.00 3.15 3.35 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 61 E 8.75 3.73 0.00 2.35 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 2.33 2.36 0.00 62 E 8.18 3.90 0.00 2.25 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 2.31 2.46 0.00 63 M 7.78 3.89 0.00 1.61 2.28 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 64 R 8.16 3.89 0.00 1.19 1.74 0.00 3.32 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.01 0.00 65 K 7.94 3.36 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 66 A 7.53 4.23 1.28 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 0.00 0.00 0.00 67 G 8.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.24 3.71 1.56 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.70 0.00 0.00 69 F 6.94 5.00 0.00 3.60 3.02 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 0.00 0.00 0.00 70 Q 9.04 4.19 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 71 S 8.16 4.50 0.00 4.02 3.99 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 0.00 0.00 0.00 72 A 7.73 4.61 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.48 4.25 0.00 1.80 1.77 0.00 1.99 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.41 7.81