NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3268 8.0327 110.9398 60.9593 70.3863 174.2687 4 K 3.7493 8.4685 121.9035 58.5576 31.9315 176.8621 5 K 3.8998 8.8088 120.8222 59.6446 32.5275 178.0523 6 E 3.9702 8.3284 118.8368 59.3353 29.2879 179.3297 7 R 3.8859 8.0994 118.7848 59.4920 30.0863 178.6369 8 I 3.8563 8.0807 119.6123 64.2282 36.9840 178.2442 9 A 4.0068 8.1916 121.6496 55.2712 18.0251 179.6158 10 I 3.6599 7.7299 117.1312 64.7923 37.2660 178.3550 11 Q 4.1885 8.1531 117.7594 59.0692 28.8786 178.7780 12 R 4.4143 8.4942 119.5221 59.1944 29.7503 179.4469 13 S 4.0293 8.2653 109.2788 59.2352 62.0476 175.4021 *15 A 4.3172 7.9534 125.0352 51.8212 20.4047 179.6544 16 E 4.2024 8.4286 115.2999 59.6859 29.4398 179.5152 17 E 3.9719 8.1146 118.1615 59.1657 29.5616 179.0482 18 A 3.9888 8.0393 120.3343 55.3189 18.5146 179.4034 19 L 4.0864 8.2761 117.6819 57.9739 41.6465 179.9081 20 G 3.7423 8.4078 105.8235 47.8387 0.0000 175.6073 21 K 3.9508 8.0432 121.9456 59.2228 32.2895 179.0181 22 L 3.9340 8.0442 119.3251 57.6772 41.3113 179.6513 23 K 3.9898 8.4569 117.8596 59.1409 32.0897 178.8477 24 A 4.0637 8.3228 121.6650 55.1771 18.2418 179.6919 25 I 3.3488 7.3992 118.0656 64.4488 36.8718 178.6624 26 R 3.4243 7.0844 117.6037 59.0859 29.9172 177.9379 27 Q 4.2097 7.4907 115.8256 56.9734 28.7470 176.4178 28 L 4.6654 7.2632 119.5901 54.6995 42.0027 177.5392 29 C 4.3253 8.0873 118.6662 61.8903 28.4847 174.7426 30 G 3.7009 7.9069 108.4993 45.4474 0.0000 172.4456 31 A 4.6776 8.4584 124.7447 50.1133 22.6937 176.1005 32 E 4.0468 9.0007 120.4294 59.2747 29.5535 177.7103 33 D 4.7977 8.0438 114.0877 52.8099 39.8923 175.6839 34 S 4.7875 7.6310 114.1604 56.6672 65.6048 174.2386 35 S 4.4524 8.1696 115.9207 58.0247 64.9339 174.8877 36 D 4.4077 8.6406 124.0210 57.5549 40.6916 179.0830 37 S 4.2615 7.9110 113.5126 61.4806 63.5089 175.9020 38 S 4.2989 8.1248 117.0788 60.9645 62.1208 177.0060 39 D 4.3316 7.9551 119.8866 54.7133 40.4038 178.1250 *41 Q 4.7066 8.0085 122.1978 56.3928 31.2166 176.8784 42 E 3.9863 8.2123 117.4025 59.4420 29.4791 179.3046 43 V 3.7616 7.9559 118.0856 66.2324 31.4203 177.7556 44 E 3.9935 8.2463 117.5342 59.5436 29.3949 179.1468 45 I 3.6286 8.0008 119.8818 64.2469 37.1622 178.3616 46 W 4.2493 8.5442 119.8614 60.1934 28.8684 178.4762 47 T 3.9579 8.5132 115.9333 66.9099 67.9824 176.0517 48 N 4.2983 8.4150 118.8382 56.7647 38.9747 176.9108 49 R 3.9202 8.1542 120.1266 59.3523 30.0957 178.6085 50 I 3.8128 8.3788 120.2773 64.1960 37.0538 178.2487 51 K 4.0166 8.4120 120.7992 59.3590 31.9956 178.3768 52 E 3.9356 8.3128 119.6421 59.2494 29.5467 178.6391 53 L 4.0030 7.9337 120.2855 58.2048 42.0884 178.7628 54 E 3.7437 8.6298 118.9573 59.4427 29.4502 178.9282 55 D 4.4452 8.4085 119.1454 57.1426 40.9155 178.7386 56 W 4.0337 8.1879 128.5430 60.4330 30.5738 177.6543 57 L 3.2262 7.9129 117.8292 57.4744 41.1391 179.2388 58 W 5.0309 7.8380 115.7028 57.4341 29.4569 177.9723 59 G 3.9617 7.8654 104.6862 45.9249 0.0000 174.4065 60 E 4.4828 8.0230 117.7290 55.3806 31.9947 176.4764 61 S 3.6068 6.7303 113.3365 56.4104 63.6868 173.1500 62 P 4.2813 0.0000 0.0000 64.5490 30.9788 177.4066 63 I 4.2402 7.2759 109.8975 60.1527 38.0602 175.5656 64 A 4.2255 7.6735 129.7713 52.8265 18.0756 177.5481 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 T 8.03 4.33 4.24 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 1.21 0.00 0.00 4 K 8.47 3.75 0.00 1.93 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 8.81 3.90 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 6 E 8.33 3.97 0.00 2.29 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 2.33 2.31 0.00 7 R 8.10 3.89 0.00 1.94 2.08 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 8 I 8.08 3.86 2.06 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 1.46 0.70 0.93 0.00 0.00 9 A 8.19 4.01 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 10 I 7.73 3.66 2.04 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 1.54 0.68 0.93 0.00 0.00 11 Q 8.15 4.19 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 12 R 8.49 4.41 0.00 2.11 2.18 0.00 3.39 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 13 S 8.27 4.03 0.00 3.98 4.04 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 *15 A 7.95 4.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.43 4.20 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 17 E 8.11 3.97 0.00 2.05 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 2.36 2.55 0.00 18 A 8.04 3.99 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 19 L 8.28 4.09 0.00 1.97 1.83 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.41 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.95 0.00 1.90 1.98 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 22 L 8.04 3.93 0.00 1.92 1.76 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.46 3.99 0.00 1.67 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.64 7.81 24 A 8.32 4.06 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 25 I 7.40 3.35 1.34 0.00 0.00 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 1.17 0.63 -0.21 0.00 0.00 26 R 7.08 3.42 0.00 1.61 2.04 0.00 3.34 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 27 Q 7.49 4.21 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.14 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 28 L 7.26 4.67 0.00 1.52 1.60 0.85 0.76 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 29 C 8.09 4.33 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.68 1.22 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 0.00 0.00 32 E 9.00 4.05 0.00 1.92 2.00 0.00 0.00 0.00 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 2.38 0.00 33 D 8.04 4.80 0.00 2.81 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 34 S 7.63 4.79 0.00 4.04 3.90 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 0.00 0.00 0.00 35 S 8.17 4.45 0.00 4.08 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 36 D 8.64 4.41 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.26 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.30 0.00 3.93 4.04 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 39 D 7.96 4.33 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 Q 8.01 4.71 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 42 E 8.21 3.99 0.00 2.42 2.24 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 2.38 2.61 0.00 43 V 7.96 3.76 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 1.08 0.00 0.00 1.01 0.00 0.00 44 E 8.25 3.99 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 45 I 8.00 3.63 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.60 0.00 0.00 46 W 8.54 4.25 0.00 3.50 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 47 T 8.51 3.96 4.47 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 1.26 0.00 0.00 48 N 8.41 4.30 0.00 2.76 2.80 0.00 0.00 6.93 8.07 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 49 R 8.15 3.92 0.00 1.99 2.01 0.00 3.25 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 50 I 8.38 3.81 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.99 0.00 0.00 51 K 8.41 4.02 0.00 1.91 2.06 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.51 7.81 52 E 8.31 3.94 0.00 2.16 2.13 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 2.29 2.33 0.00 53 L 7.93 4.00 0.00 1.82 1.84 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.63 3.74 0.00 2.20 2.14 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 2.38 2.43 0.00 55 D 8.41 4.45 0.00 3.05 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 56 W 8.19 4.03 0.00 3.43 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 57 L 7.91 3.23 0.00 0.71 0.28 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.84 5.03 0.00 3.24 3.07 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 0.00 0.00 0.00 0.00 59 G 7.87 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 0.00 0.00 0.00 60 E 8.02 4.48 0.00 1.62 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 2.19 0.00 61 S 6.73 3.61 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 62 P 0.00 4.28 0.00 2.03 2.14 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 63 I 7.28 4.24 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.92 0.00 0.00 64 A 7.67 4.23 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 * Residues marked with a * may have inaccurate shift predictions.