NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4659 8.1927 117.0998 57.4681 64.3352 174.1511 6 L 3.7684 8.5419 125.9092 56.8930 41.6836 177.7945 7 L 3.8394 8.0582 121.4828 58.4891 42.4520 178.7022 8 E 4.1283 8.1528 117.7576 61.1257 29.6995 180.6815 9 K 4.1048 8.2590 120.2160 59.5288 32.1958 179.3878 10 V 3.5837 7.4124 119.1856 65.3218 31.5457 178.0926 11 L 3.6569 7.2837 118.6000 57.2026 40.8831 179.5373 12 K 4.1659 8.0014 118.1266 59.9133 32.2722 178.8549 13 E 4.2417 7.8965 118.5630 59.1860 29.3255 179.2413 14 W 4.6535 8.8394 118.8239 57.3522 29.1648 176.3931 15 K 4.2077 7.4948 120.4731 58.1143 31.9553 175.4485 16 G 4.0972 8.7211 113.8382 45.5074 0.0000 173.2918 17 H 4.8764 8.2810 116.5816 53.6358 31.1488 175.0349 18 K 4.1167 8.6218 123.2896 57.2960 33.2887 175.8362 19 V 4.8576 8.8716 118.7466 59.7345 36.2681 174.1160 20 A 5.1401 8.6157 123.7612 50.5437 21.9817 175.8573 21 V 4.5597 8.2324 118.5754 61.1669 35.2738 174.6386 22 S 4.1591 8.1902 124.1691 57.1024 64.1498 173.8214 23 V 4.9015 7.8195 127.3489 60.5090 32.2765 170.7984 24 G 4.1650 8.2646 118.1169 44.6440 0.0000 172.9536 *29 F 4.6295 7.5761 116.9475 57.2683 40.2892 173.6408 30 T 5.0471 8.4331 118.0005 60.3858 71.4321 172.7979 31 G 4.1686 8.0211 111.7906 46.2856 0.0000 172.0978 32 T 4.6427 7.7239 116.7258 63.2956 69.9368 174.6371 33 L 4.5139 8.4639 128.8267 54.6113 41.9292 176.7067 34 E 4.0806 8.9731 129.0608 59.0583 30.3926 175.6526 35 D 4.8169 7.9755 116.4951 54.1868 44.7267 173.9284 36 F 5.4553 8.4211 114.9239 56.3965 40.5829 172.9861 37 D 4.3582 9.2478 121.0522 52.7495 42.0653 176.1396 38 E 4.1568 9.0253 116.4823 59.2613 29.8603 173.7699 39 E 4.7539 8.1503 112.7143 57.7189 32.8421 181.5108 40 V 5.2087 7.7972 110.6304 59.7638 36.7490 174.7114 41 I 5.2192 8.8136 114.7496 59.1721 41.3278 173.9612 42 L 5.0152 9.4075 125.3031 53.3162 45.3027 175.0226 43 L 5.3087 8.6632 126.9846 53.6146 45.2105 176.3968 44 K 4.8168 9.3509 125.8566 53.1558 34.9210 174.5860 45 D 4.5640 7.9554 116.4848 56.3145 38.9301 175.0013 46 V 4.2020 7.7644 120.8873 63.3824 33.2680 176.6425 47 V 5.0800 9.2527 129.1370 60.4637 35.6574 171.8944 48 D 5.4613 9.1510 124.9129 52.5983 43.1449 179.2170 49 V 3.7718 8.4705 112.4654 64.7505 31.6963 174.7789 50 I 4.1680 7.6533 117.4007 62.4649 38.2187 175.6701 51 G 3.9055 7.1004 107.3649 46.5026 0.0000 172.5472 52 N 4.9465 8.6953 116.1290 52.4724 38.2547 170.7296 53 R 4.5981 9.0286 117.6835 56.5912 33.1259 176.9582 54 G 4.0836 7.6374 104.3547 44.7897 0.0000 173.7107 55 K 3.8898 8.4124 123.2813 59.0683 32.5701 175.8402 56 Q 5.4936 7.1966 114.4870 53.6529 31.6687 173.7699 *58 L 4.3931 8.2974 118.0748 55.9855 43.1887 176.8584 59 I 4.5042 8.2087 121.7995 60.1227 42.2201 174.3787 60 G 4.1268 8.7246 114.0681 45.2280 0.0000 174.8984 61 L 4.1898 9.0527 125.7094 58.0049 41.9831 179.9055 62 E 3.8642 8.4806 116.3890 60.0823 29.6593 181.8771 63 D 4.7687 7.9370 114.9242 52.9256 39.7890 177.5528 64 I 4.7217 7.2352 121.1887 60.8477 37.9510 175.5501 65 N 4.5194 9.1358 125.0744 55.0689 39.0112 175.3417 66 W 5.3594 6.9987 113.3574 54.9617 31.3283 173.4983 67 I 5.4090 8.2836 118.7197 58.3981 40.2761 174.5555 *69 L 3.5279 8.0661 121.6714 54.8231 42.4680 176.3124 70 L 4.2189 8.0429 123.6297 54.8756 41.8579 176.3521 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 5 S 8.19 4.47 0.00 3.67 3.81 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 6 L 8.54 3.77 0.00 1.84 1.66 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.06 3.84 0.00 1.72 1.60 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.15 4.13 0.00 2.01 1.94 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 2.31 1.97 0.00 9 K 8.26 4.10 0.00 1.96 1.89 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.37 7.81 10 V 7.41 3.58 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 11 L 7.28 3.66 0.00 0.51 0.13 0.24 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.00 4.17 0.00 2.27 1.98 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.37 7.81 13 E 7.90 4.24 0.00 2.22 2.15 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 2.39 2.48 0.00 14 W 8.84 4.65 0.00 3.25 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 15 K 7.49 4.21 0.00 2.26 1.87 0.00 1.86 0.00 0.00 1.98 0.00 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.77 1.66 7.81 16 G 8.72 4.10 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 0.00 0.00 0.00 17 H 8.28 4.88 0.00 3.19 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.62 4.12 0.00 1.84 1.67 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 19 V 8.87 4.86 2.15 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 0.87 0.00 0.00 1.03 0.00 0.00 20 A 8.62 5.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.23 4.56 2.07 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 0.74 0.00 0.00 1.00 0.00 0.00 22 S 8.19 4.16 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.82 4.90 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 0.66 0.00 0.00 0.93 0.00 0.00 24 G 8.26 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 *29 F 7.58 4.63 0.00 3.15 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 30 T 8.43 5.05 4.31 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 1.30 0.00 0.00 31 G 8.02 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.72 4.64 4.26 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 1.26 0.00 0.00 33 L 8.46 4.51 0.00 1.83 1.70 1.12 0.93 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 34 E 8.97 4.08 0.00 2.07 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 2.28 0.00 35 D 7.98 4.82 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 5.46 0.00 3.19 2.98 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 37 D 9.25 4.36 0.00 2.65 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 38 E 9.03 4.16 0.00 2.01 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 2.23 1.89 0.00 39 E 8.15 4.75 0.00 1.67 1.94 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 2.14 2.12 0.00 40 V 7.80 5.21 2.11 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 0.72 0.00 0.00 0.98 0.00 0.00 41 I 8.81 5.22 1.98 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 1.15 0.89 0.99 0.00 0.00 42 L 9.41 5.02 0.00 1.72 1.71 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.66 5.31 0.00 1.64 1.51 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.35 4.82 0.00 1.38 1.66 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.27 7.81 45 D 7.96 4.56 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.76 4.20 2.15 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 0.88 0.00 0.00 0.94 0.00 0.00 47 V 9.25 5.08 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 0.67 0.00 0.00 0.93 0.00 0.00 48 D 9.15 5.46 0.00 2.28 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 3.77 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 0.91 0.00 0.00 0.93 0.00 0.00 50 I 7.65 4.17 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.92 0.00 0.00 51 G 7.10 3.91 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 0.00 0.00 0.00 52 N 8.70 4.95 0.00 2.76 2.62 0.00 0.00 6.32 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.03 4.60 0.00 1.86 1.94 0.00 3.44 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 54 G 7.64 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 0.00 0.00 0.00 55 K 8.41 3.89 0.00 1.91 1.89 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.06 7.81 56 Q 7.20 5.49 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 *58 L 8.30 4.39 0.00 1.53 1.63 0.91 0.71 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 59 I 8.21 4.50 1.88 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 1.12 0.49 0.90 0.00 0.00 60 G 8.72 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.05 4.19 0.00 1.74 1.75 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.48 3.86 0.00 1.98 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 2.24 1.91 0.00 63 D 7.94 4.77 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.24 4.72 1.99 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 1.30 1.03 0.93 0.00 0.00 65 N 9.14 4.52 0.00 2.31 2.85 0.00 0.00 6.84 8.33 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 66 W 7.00 5.36 0.00 3.48 3.15 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 67 I 8.28 5.41 2.20 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 1.38 1.22 1.29 0.00 0.00 *69 L 8.07 3.53 0.00 0.27 0.58 0.52 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.04 4.22 0.00 1.60 1.46 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.