NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 2.8093 8.3393 109.6296 44.9085 0.0000 173.6913 2 T 4.0172 8.8033 111.2045 59.6267 70.9522 174.0847 3 K 3.8944 9.2743 123.0611 59.8030 32.5974 179.6496 4 Q 4.0160 8.1397 117.7037 59.3119 28.6717 178.8549 5 E 4.0772 7.9371 119.2932 59.5340 29.4846 179.7025 6 K 4.1437 8.2962 118.4598 59.5845 31.9802 179.6727 7 T 3.9505 8.0511 116.3710 66.5052 68.4126 176.9288 8 I 3.7448 7.9358 121.7763 64.2719 37.0916 178.4439 9 L 4.0936 8.0936 119.7059 57.9719 41.5161 179.2821 10 N 3.9733 8.1930 116.2706 56.5357 38.4563 177.4274 11 M 4.1281 8.3386 120.0766 58.3376 32.0938 178.5999 12 A 3.9932 8.5204 121.1922 55.2666 18.5332 179.8828 13 R 3.4279 7.8354 116.4517 59.1954 29.9898 179.2417 14 F 4.4604 7.6759 117.4554 60.8077 38.8879 177.7486 15 I 3.8735 7.9952 119.3571 64.3358 37.0263 178.2829 16 R 3.8186 7.9839 119.7046 59.6467 29.9626 178.7727 17 S 4.2057 8.0730 113.8642 61.4771 63.0006 176.4340 18 Q 3.9961 8.5926 121.9286 58.6895 28.3751 178.3981 19 A 4.0434 8.8200 122.3784 55.0599 18.4052 179.4554 20 L 3.9296 7.8645 118.6069 58.5404 42.0642 179.4018 21 T 3.9328 7.7432 115.4389 66.4966 68.2718 176.9081 22 I 3.7170 7.8186 121.8698 64.2500 37.1901 178.2284 23 L 3.9135 8.2361 120.2880 57.8629 41.4747 179.2925 24 E 3.8664 8.1174 118.7987 59.4288 29.1791 179.0487 25 K 4.3678 8.5301 119.6823 58.7315 31.9560 179.3728 26 A 4.0011 8.8378 122.2401 55.3598 18.4834 179.5345 27 N 4.3207 8.1480 114.5571 56.0920 38.4113 177.5552 28 E 4.0418 8.3658 120.4334 58.6060 29.3011 178.1232 29 L 4.4930 7.2918 115.2629 53.5581 42.1655 176.1080 30 D 4.3808 7.6692 117.2600 55.4115 39.1917 174.8708 31 A 4.4636 7.8959 123.8846 50.6366 17.6337 178.4079 32 D 4.3877 8.2087 122.4197 56.8728 41.3044 177.8104 33 E 3.9038 8.0919 119.1516 59.4541 29.7944 178.7771 34 I 3.7006 7.7576 119.1106 64.2230 37.1126 178.0748 35 A 4.0013 8.1069 121.5967 55.3698 18.2248 179.4025 36 D 4.3040 8.3132 117.4598 57.6229 40.7933 179.1954 37 I 3.7368 7.8323 120.0698 64.2849 37.0297 178.3749 38 A 3.9963 8.2126 121.7044 54.8974 18.0724 179.3611 39 E 3.8795 8.3798 118.3451 59.5183 29.7432 178.9769 40 S 4.1431 8.1085 113.2403 61.3680 62.3340 176.2542 41 I 3.7173 7.9577 122.7121 64.6444 36.8749 177.7354 42 H 4.0433 8.5953 119.4603 59.4715 29.6446 176.9363 43 D 4.4098 8.4262 120.6687 57.8119 40.6520 178.5872 44 H 4.1460 8.5465 116.5099 58.6989 28.6330 177.7597 45 A 4.0136 8.3489 122.9754 55.1261 18.2023 179.2061 46 D 4.2585 8.2283 116.6766 57.4660 41.2281 178.1119 47 E 4.0203 8.2879 119.8925 59.2069 29.5332 178.9003 48 I 3.7160 7.9902 119.9731 64.4108 37.2239 177.6175 49 Y 4.1711 8.2248 120.4382 61.0754 38.5891 178.5583 50 R 3.7335 8.5560 119.2532 59.1173 30.2278 179.1102 51 S 4.0328 8.4760 113.2166 61.2151 62.1772 176.0547 52 A 4.0461 8.1024 122.9426 55.0773 18.4318 179.3644 53 L 3.8737 7.8548 117.2479 57.8781 41.4735 179.4920 54 A 4.0735 7.9996 119.6156 54.4080 18.3958 178.9195 55 R 5.1671 7.5631 115.4482 53.9841 30.5826 175.3897 56 F 4.4179 7.7736 122.0178 59.9211 39.4439 175.1575 57 G 3.6571 9.4073 115.9218 46.2514 0.0000 174.0650 58 D 4.4282 8.1656 121.9305 57.0461 40.8956 177.3021 59 D 4.6927 7.8792 117.0318 54.4943 41.0891 176.5475 *60 G 3.7274 8.1009 114.1352 45.9099 0.0000 173.4326 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 8.34 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 0.00 0.00 0.00 2 T 8.80 4.02 4.20 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 1.14 0.00 0.00 3 K 9.27 3.89 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.56 7.81 4 Q 8.14 4.02 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 5 E 7.94 4.08 0.00 2.26 2.27 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 2.36 2.34 0.00 6 K 8.30 4.14 0.00 2.01 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.85 7.81 7 T 8.05 3.95 4.42 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.74 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.96 0.00 0.00 9 L 8.09 4.09 0.00 1.86 1.78 0.63 0.43 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 10 N 8.19 3.97 0.00 2.72 2.54 0.00 0.00 7.12 7.17 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 11 M 8.34 4.13 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.94 0.00 12 A 8.52 3.99 1.48 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 0.00 0.00 13 R 7.84 3.43 0.00 1.58 1.64 0.00 3.06 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 14 F 7.68 4.46 0.00 3.23 2.95 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 0.00 0.00 0.00 15 I 8.00 3.87 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.93 0.00 0.00 16 R 7.98 3.82 0.00 1.87 1.92 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.00 17 S 8.07 4.21 0.00 4.13 4.12 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 0.00 0.00 0.00 18 Q 8.59 4.00 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 19 A 8.82 4.04 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 20 L 7.86 3.93 0.00 2.01 1.89 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.74 3.93 4.41 0.00 0.00 0.00 0.00 0.00 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 22 I 7.82 3.72 2.02 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 1.52 1.09 0.91 0.00 0.00 23 L 8.24 3.91 0.00 1.83 1.72 0.89 0.78 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 24 E 8.12 3.87 0.00 2.06 2.09 0.00 0.00 0.00 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 2.34 0.00 25 K 8.53 4.37 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 26 A 8.84 4.00 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 27 N 8.15 4.32 0.00 2.88 2.88 0.00 0.00 7.09 7.63 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 28 E 8.37 4.04 0.00 2.23 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 2.48 0.00 29 L 7.29 4.49 0.00 1.80 1.69 0.92 1.03 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 30 D 7.67 4.38 0.00 2.86 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 A 7.90 4.46 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 32 D 8.21 4.39 0.00 2.77 2.74 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 33 E 8.09 3.90 0.00 2.03 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 2.38 2.40 0.00 34 I 7.76 3.70 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 1.57 0.59 0.91 0.00 0.00 35 A 8.11 4.00 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 36 D 8.31 4.30 0.00 2.84 2.74 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 37 I 7.83 3.74 2.01 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 0.73 0.91 0.00 0.00 38 A 8.21 4.00 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 39 E 8.38 3.88 0.00 2.12 2.16 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 2.32 2.32 0.00 40 S 8.11 4.14 0.00 3.98 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 41 I 7.96 3.72 2.05 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 1.40 0.69 0.93 0.00 0.00 42 H 8.60 4.04 0.00 3.19 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.43 4.41 0.00 2.95 2.70 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 44 H 8.55 4.15 0.00 3.38 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.35 4.01 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 46 D 8.23 4.26 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.02 0.00 2.25 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 0.00 2.28 2.39 0.00 48 I 7.99 3.72 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.96 0.00 0.00 49 Y 8.22 4.17 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.56 3.73 0.00 1.84 1.92 0.00 3.20 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 51 S 8.48 4.03 0.00 3.87 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 52 A 8.10 4.05 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 53 L 7.85 3.87 0.00 1.57 1.47 -0.06 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.00 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 5.17 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 56 F 7.77 4.42 0.00 3.01 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 57 G 9.41 3.66 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 0.00 0.00 0.00 58 D 8.17 4.43 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.88 4.69 0.00 2.63 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 *60 G 8.10 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.