NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8329 8.3549 109.7360 45.2394 0.0000 173.3166 2 K 4.1804 8.4409 121.6411 52.6648 32.5714 174.9063 3 K 4.4217 8.2668 123.9049 55.7430 35.3080 176.5599 4 S 4.6868 8.0705 115.4345 56.8037 66.2617 174.9446 5 K 3.8608 8.5267 122.2559 59.6292 31.7161 178.6463 6 A 3.9557 7.8759 120.4660 55.3557 18.4230 179.3199 7 T 3.7659 7.5516 114.4229 66.9291 68.6233 176.5011 8 K 3.8784 8.3957 121.6117 59.5767 32.0374 178.8907 9 K 3.9689 7.7887 118.5118 59.3963 31.9299 179.5192 10 R 3.9070 7.8809 118.2460 59.4279 30.0799 179.0397 11 L 3.9575 8.3220 118.8403 57.7079 41.5532 179.6334 12 A 3.9577 7.8860 120.5972 54.9677 18.4156 179.3844 13 K 3.8147 8.1178 118.1403 59.8286 32.0493 178.6148 14 L 4.1431 7.8350 117.7625 58.1216 41.8691 178.8112 15 D 4.4749 8.2524 117.6829 57.2478 41.1942 177.8565 16 N 4.2875 8.1701 117.4936 56.8094 38.9054 176.6149 17 Q 4.2478 8.3934 117.0537 57.4908 28.7185 176.8743 18 N 4.8871 7.6426 118.0242 52.5784 39.7334 174.2559 19 S 4.6419 7.3464 113.3939 56.2964 65.1158 173.1762 20 R 4.3393 7.9826 120.4773 54.4013 31.1443 175.8831 21 V 3.4935 8.1378 122.5237 62.0958 31.9994 174.1681 22 P 4.2300 0.0000 0.0000 62.9672 31.7710 176.7363 23 A 3.9538 8.8889 122.6630 55.4086 18.1758 180.0793 24 W 4.2992 8.3931 114.5142 60.0382 27.8212 178.4449 25 V 3.0220 6.6292 118.2278 65.5490 30.7485 177.9357 26 M 3.9836 7.8933 118.8126 58.2506 31.7733 178.7459 27 L 4.0052 7.8034 118.5292 57.7039 41.8661 179.1600 28 K 4.2169 8.3340 117.9001 58.3375 32.1596 177.0302 29 T 4.4552 7.2265 106.4138 60.8012 69.2698 173.3671 30 D 4.3432 9.1025 119.8045 55.1261 39.2347 171.0701 31 E 3.8682 7.9181 121.0810 55.9756 29.9114 174.4421 *35 R 3.8597 8.2416 119.7318 56.0472 31.1832 174.8058 36 N 4.6550 8.3766 121.0421 52.1039 38.9986 173.8328 37 H 4.5496 8.5259 121.9456 56.9391 29.0217 176.3875 38 K 4.5660 7.9614 118.8876 55.9180 32.3948 176.3111 39 R 3.9418 8.0431 118.9598 56.1687 30.1397 176.1985 40 R 4.4335 8.3775 123.2285 54.3747 31.6413 174.2248 41 H 4.5636 8.5634 126.0337 55.1757 30.6799 176.2018 42 W 4.1711 8.5819 123.0790 59.1527 28.3897 177.2406 43 R 3.7507 6.1454 117.7317 58.2009 29.8484 177.5495 44 R 3.9476 7.6482 114.9592 58.0777 30.3461 176.1893 45 N 4.8990 7.9293 114.1696 51.3763 40.8604 173.5481 46 D 4.6808 8.1899 118.0696 52.6638 43.6405 175.3770 47 T 4.2439 8.4154 116.7474 61.0669 70.0236 173.2254 48 D 4.6103 8.1899 122.0319 53.8864 42.4159 176.8333 49 E 4.1556 8.6552 118.4128 57.0115 28.8799 174.9530 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 G 8.35 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.44 4.18 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 3 K 8.27 4.42 0.00 1.85 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.07 4.69 0.00 4.06 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 5 K 8.53 3.86 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 6 A 7.88 3.96 1.32 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 0.00 0.00 7 T 7.55 3.77 4.48 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 1.25 0.00 0.00 8 K 8.40 3.88 0.00 1.85 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.79 3.97 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.73 7.81 10 R 7.88 3.91 0.00 2.05 1.98 0.00 3.43 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 11 L 8.32 3.96 0.00 1.66 1.73 0.92 0.61 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 12 A 7.89 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.81 0.00 1.84 1.97 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.84 4.14 0.00 1.86 1.76 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.25 4.47 0.00 2.81 2.84 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 16 N 8.17 4.29 0.00 2.86 2.98 0.00 0.00 7.24 6.16 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 17 Q 8.39 4.25 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 18 N 7.64 4.89 0.00 2.98 2.90 0.00 0.00 7.07 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 19 S 7.35 4.64 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.98 4.34 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 21 V 8.14 3.49 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 0.67 0.00 0.00 0.87 0.00 0.00 22 P 0.00 4.23 0.00 1.92 2.22 0.00 3.54 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 1.29 1.82 0.00 23 A 8.89 3.95 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 24 W 8.39 4.30 0.00 3.61 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.63 3.02 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 -0.62 0.00 0.00 26 M 7.89 3.98 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 27 L 7.80 4.01 0.00 1.91 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.33 4.22 0.00 2.08 2.03 0.00 2.21 0.00 0.00 2.16 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.59 7.81 29 T 7.23 4.46 4.21 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 1.25 0.00 0.00 30 D 9.10 4.34 0.00 2.81 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 31 E 7.92 3.87 0.00 2.14 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 2.20 2.26 0.00 *35 R 8.24 3.86 0.00 1.70 1.69 0.00 3.18 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 36 N 8.38 4.65 0.00 2.59 2.69 0.00 0.00 7.18 7.89 0.00 0.00 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 H 8.53 4.55 0.00 3.16 3.30 0.00 5.90 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 4.57 0.00 1.86 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 39 R 8.04 3.94 0.00 1.80 1.89 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 40 R 8.38 4.43 0.00 1.74 1.83 0.00 3.26 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 41 H 8.56 4.56 0.00 3.17 3.04 0.00 5.92 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.58 4.17 0.00 3.54 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 43 R 6.15 3.75 0.00 0.67 1.16 0.00 2.43 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 44 R 7.65 3.95 0.00 1.78 1.91 0.00 3.32 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 45 N 7.93 4.90 0.00 2.96 2.74 0.00 0.00 6.69 7.89 0.00 0.00 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 D 8.19 4.68 0.00 2.57 2.49 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 47 T 8.42 4.24 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 1.25 0.00 0.00 48 D 8.19 4.61 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.16 0.00 2.11 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 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.