NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 3.9749 8.0249 120.7866 60.7672 39.0431 175.3394 6 Q 4.1081 8.4678 126.5901 54.2315 28.0018 174.1871 7 I 3.9243 7.9420 125.0752 60.1223 38.8666 174.6244 8 P 4.4554 0.0000 0.0000 61.4534 32.0939 173.9319 9 P 4.1484 0.0000 0.0000 64.7662 31.7189 176.7640 10 G 4.0359 9.0052 111.5357 45.6316 0.0000 175.2110 11 L 3.9279 7.8119 121.7473 58.5515 42.1181 179.0688 12 T 3.9662 7.8971 109.2167 64.7965 68.7031 176.1177 13 E 4.0128 8.1770 121.0317 58.9963 29.5900 178.6782 14 L 4.1503 8.0324 120.4183 58.4809 42.2216 179.2024 15 L 4.2730 8.1847 118.7779 57.9487 41.4732 179.5379 16 Q 4.2049 8.5109 118.2946 58.5971 28.4671 178.8980 17 G 3.6283 8.2834 107.1261 47.8516 0.0000 175.1937 18 Y 2.8532 7.7609 121.5981 60.3253 38.7713 178.2755 19 T 3.6663 8.0226 116.8721 66.5410 68.5501 177.0665 20 V 3.5920 7.9518 121.1892 64.7457 31.3374 178.3029 21 E 3.9427 7.6640 117.9154 58.7856 29.3507 179.1450 22 V 3.0126 7.3640 118.3718 65.9135 31.2927 178.1553 23 L 3.8895 7.5341 117.2250 57.5973 41.4810 179.3047 24 R 3.9492 7.7898 117.7166 59.4117 30.2327 178.0391 25 Q 4.0464 8.3187 115.7799 55.4010 30.2367 175.7213 26 Q 3.2315 7.7112 118.4068 56.0693 26.0031 172.2127 27 P 4.3090 0.0000 0.0000 61.6657 32.5583 176.3992 28 P 4.3439 0.0000 0.0000 65.2292 31.6111 176.1764 29 D 4.7335 7.6943 115.2654 51.3693 44.0196 175.7286 30 L 4.1942 8.8071 126.9279 57.9308 41.7549 179.6922 31 V 3.6663 7.9036 117.6895 66.1345 31.6762 177.5041 32 D 4.4590 8.9628 119.1372 57.5856 40.6183 178.7894 33 F 4.3002 8.4894 120.7960 61.0587 39.4165 176.9093 34 A 4.0572 8.6203 120.7941 55.2611 18.2055 179.6367 35 V 3.5931 7.9255 116.5613 66.1585 31.5321 177.8205 36 E 3.8509 8.0722 118.7469 59.4007 29.4678 177.8179 37 Y 3.6415 8.0821 119.9343 60.9063 38.7521 178.4187 38 F 4.1462 8.0772 118.3100 60.5442 39.0255 177.9186 39 T 3.8567 8.0396 115.6134 66.8111 68.2734 176.8899 40 R 3.8649 8.0281 120.0321 58.9061 29.9705 178.9201 41 L 3.7049 7.7883 120.5299 57.9260 41.9898 178.8528 42 R 3.8674 7.8952 118.6638 59.6041 29.9079 178.2696 43 E 3.9045 8.0746 117.7915 59.3409 29.3651 179.2065 44 A 3.9441 8.0616 120.7807 55.0875 18.4465 179.6411 45 R 3.8607 8.2402 119.6698 60.2462 30.1117 179.4393 46 R 4.0540 8.2511 120.7190 61.3574 29.3205 180.5888 47 G 3.8680 8.3698 106.9049 47.9267 0.0000 175.8301 48 L 4.0643 8.2486 122.2518 57.0599 41.3799 178.9917 49 E 4.2473 8.2647 119.2372 58.6715 29.7268 178.2542 *50 H 4.6089 7.7305 117.8487 58.7105 28.7482 182.0005 51 H 4.4703 8.2971 121.3668 59.8098 29.6792 175.4425 *52 H 4.3396 7.5154 121.9461 54.8460 27.7621 179.3681 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 I 8.02 3.97 1.87 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 1.41 1.34 0.91 0.00 0.00 6 Q 8.47 4.11 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 7 I 7.94 3.92 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 1.47 0.74 0.92 0.00 0.00 8 P 0.00 4.46 0.00 2.21 2.16 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 P 0.00 4.15 0.00 2.06 2.07 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 10 G 9.01 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 0.00 0.00 0.00 11 L 7.81 3.93 0.00 1.71 1.80 0.90 0.74 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 12 T 7.90 3.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 E 8.18 4.01 0.00 2.28 2.10 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 2.43 2.46 0.00 14 L 8.03 4.15 0.00 2.14 1.85 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 4.27 0.00 1.95 1.81 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.51 4.20 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 G 8.28 3.63 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 0.00 0.00 0.00 18 Y 7.76 2.85 0.00 2.54 3.05 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 0.00 0.00 0.00 0.00 19 T 8.02 3.67 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 1.18 0.00 0.00 20 V 7.95 3.59 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 0.89 0.00 0.00 0.91 0.00 0.00 21 E 7.66 3.94 0.00 2.07 2.26 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 2.51 2.68 0.00 22 V 7.36 3.01 1.87 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 0.83 0.00 0.00 0.25 0.00 0.00 23 L 7.53 3.89 0.00 1.72 1.64 0.87 0.75 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 24 R 7.79 3.95 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.21 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 25 Q 8.32 4.05 0.00 1.64 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.37 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 26 Q 7.71 3.23 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 27 P 0.00 4.31 0.00 2.11 1.66 0.00 3.42 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.91 0.00 28 P 0.00 4.34 0.00 2.20 2.22 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 29 D 7.69 4.73 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.19 0.00 1.87 1.87 0.92 0.90 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 31 V 7.90 3.67 2.28 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 1.11 0.00 0.00 0.99 0.00 0.00 32 D 8.96 4.46 0.00 2.94 2.81 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 33 F 8.49 4.30 0.00 3.25 3.33 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 34 A 8.62 4.06 1.38 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 0.00 0.00 0.00 35 V 7.93 3.59 2.26 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 1.01 0.00 0.00 1.01 0.00 0.00 36 E 8.07 3.85 0.00 2.16 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 2.36 2.28 0.00 37 Y 8.08 3.64 0.00 1.99 2.45 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 38 F 8.08 4.15 0.00 3.26 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 39 T 8.04 3.86 4.37 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 1.20 0.00 0.00 40 R 8.03 3.86 0.00 1.72 1.82 0.00 3.24 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 41 L 7.79 3.70 0.00 1.26 1.69 0.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.90 3.87 0.00 2.11 2.08 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 43 E 8.07 3.90 0.00 2.23 1.95 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 2.31 2.46 0.00 44 A 8.06 3.94 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 45 R 8.24 3.86 0.00 1.89 2.10 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 46 R 8.25 4.05 0.00 1.85 1.93 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 47 G 8.37 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 0.00 0.00 0.00 48 L 8.25 4.06 0.00 1.85 1.73 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.26 4.25 0.00 1.96 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 2.32 2.44 0.00 *50 H 7.73 4.61 0.00 2.98 2.96 0.00 7.21 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.30 4.47 0.00 3.31 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 H 7.52 4.34 0.00 3.16 2.83 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.