NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4017 8.3649 120.1772 54.1915 42.3608 174.9238 2 C 4.8456 7.7693 118.9916 54.9747 44.1790 171.8579 3 Y 4.8495 9.0354 118.9211 56.5196 42.8292 173.6693 4 C 5.2884 8.9146 120.3692 57.2461 41.0012 173.3273 5 R 5.3248 9.5269 121.1309 54.8767 34.6284 174.1837 6 I 4.9277 8.4129 121.8700 59.1773 40.3273 173.7756 7 P 4.3809 0.0000 0.0000 63.7877 32.0514 175.1581 8 A 4.6383 7.3736 119.9611 50.9885 22.0674 176.2094 9 C 4.5887 8.4720 117.1973 56.6284 39.7876 174.2762 10 I 4.0752 8.4877 116.1330 59.6141 38.2570 175.2186 11 A 4.0718 8.4009 123.5257 54.3502 18.2734 177.5863 12 G 4.0260 9.1704 111.0105 45.2710 0.0000 173.1849 13 E 4.8206 7.7488 118.1299 54.5798 31.3965 175.5824 *16 Y 4.5537 8.2292 115.6332 57.0719 40.1715 176.3378 17 G 4.1627 6.9015 106.1567 46.3733 0.0000 171.7085 18 T 5.3643 8.2929 109.4984 60.4687 72.3179 174.0832 19 C 5.1837 9.2753 119.3088 55.2750 44.1185 173.0294 20 I 5.2048 8.1533 122.2762 59.9605 39.0595 174.5255 21 Y 4.7707 9.3679 125.6084 58.3329 41.6525 174.2848 22 Q 3.3760 9.4143 123.4270 57.3089 27.9732 173.9715 23 G 3.4949 7.3446 101.9152 47.2721 0.0000 174.0657 *25 L 4.4047 7.6165 118.6578 54.6553 43.3652 176.2691 26 W 4.9773 9.9551 126.5032 54.6964 32.8025 174.8821 27 A 4.6320 9.1286 124.8015 51.8580 19.7260 176.3591 28 F 5.2465 9.5533 125.9664 57.1878 40.9856 173.7879 29 C 5.1648 8.7649 124.2593 55.2553 42.7405 174.0623 30 C 4.5609 8.8367 119.3754 57.1571 41.7232 173.8493 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 1 D 8.36 4.40 0.00 2.60 2.33 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 2 C 7.77 4.85 0.00 2.22 1.69 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 3 Y 9.04 4.85 0.00 2.83 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 4 C 8.91 5.29 0.00 2.58 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 5 R 9.53 5.32 0.00 1.87 1.97 0.00 3.28 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 6 I 8.41 4.93 1.36 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 0.94 -0.21 0.66 0.00 0.00 7 P 0.00 4.38 0.00 2.14 2.11 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 8 A 7.37 4.64 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 9 C 8.47 4.59 0.00 3.01 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 10 I 8.49 4.08 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.90 0.00 0.00 11 A 8.40 4.07 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 12 G 9.17 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.75 4.82 0.00 2.15 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 2.27 0.00 *16 Y 8.23 4.55 0.00 3.15 3.20 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 0.00 0.00 0.00 0.00 17 G 6.90 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.29 5.36 4.38 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 0.00 0.00 0.00 1.34 0.00 0.00 19 C 9.28 5.18 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 5.20 1.96 0.00 0.00 0.91 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 0.70 1.02 0.00 0.00 21 Y 9.37 4.77 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.41 3.38 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 1.16 2.18 0.00 23 G 7.34 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 *25 L 7.62 4.40 0.00 1.70 1.65 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.96 4.98 0.00 3.32 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 27 A 9.13 4.63 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 28 F 9.55 5.25 0.00 3.15 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 29 C 8.76 5.16 0.00 2.94 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 30 C 8.84 4.56 0.00 2.48 2.62 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 * Residues marked with a * may have inaccurate shift predictions.