NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2577 8.1727 121.7889 56.5376 34.2347 177.5240 4 Q 3.8089 8.0756 119.2074 58.7632 28.8322 176.7538 5 I 3.7236 7.8556 120.5645 64.4578 37.7051 177.4662 6 E 3.9663 8.1220 119.6201 59.2727 29.6252 178.2513 7 D 4.3896 8.1721 119.0121 57.4833 40.8222 179.0445 8 K 4.0618 7.7745 118.7467 59.1316 32.0902 179.2908 9 L 3.9732 8.3200 119.8498 57.9727 41.5794 179.4342 10 E 3.9995 8.3116 118.2960 59.2660 29.4593 178.8758 11 E 3.9098 8.0864 118.9994 59.5316 29.7874 178.6154 12 I 3.6681 7.9053 119.9394 64.7962 37.2448 178.0796 13 L 3.9763 8.0789 120.6181 57.8547 41.8791 178.9073 14 S 4.3911 8.0654 113.0149 61.3073 62.3746 176.1151 15 K 4.0680 8.0689 121.1285 59.6409 31.6920 179.2814 16 L 4.0445 7.8884 119.0318 57.7279 41.4198 179.0764 17 Y 4.2169 8.4341 117.3415 61.4017 37.7929 178.0094 18 H 4.1923 8.9578 119.5684 59.3283 29.8089 177.4304 19 I 3.9368 8.0458 121.8216 64.0690 36.7879 178.1506 20 E 3.9444 8.4606 119.7787 59.5033 29.3680 178.8429 21 N 4.2826 8.3666 116.6089 56.6394 38.6563 177.1666 22 E 3.9391 8.0785 119.5305 59.5612 29.5771 179.5756 23 L 4.0205 8.2685 118.9502 57.4403 41.5314 179.4365 24 A 3.9594 8.2989 121.1340 55.1652 18.3066 179.5194 25 R 3.8702 7.9788 116.8179 59.6304 30.0891 179.1426 26 S 4.1066 7.9872 113.6078 61.4866 62.5662 176.2870 27 K 3.8540 7.7140 122.0311 58.9891 31.9993 178.2229 28 K 4.0185 8.0337 118.4191 59.4573 32.2492 177.7352 29 L 4.0672 7.9438 119.6239 58.2465 42.0210 176.7710 30 L 4.1533 7.4571 121.3229 55.1676 41.5675 176.9269 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 K 8.17 4.26 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 Q 8.08 3.81 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5 I 7.86 3.72 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 1.52 0.49 0.91 0.00 0.00 6 E 8.12 3.97 0.00 2.00 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 2.38 2.35 0.00 7 D 8.17 4.39 0.00 2.94 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 8 K 7.77 4.06 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 9 L 8.32 3.97 0.00 1.83 1.73 0.92 0.77 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 10 E 8.31 4.00 0.00 2.18 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 2.32 2.54 0.00 11 E 8.09 3.91 0.00 2.08 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 0.00 2.32 2.37 0.00 12 I 7.91 3.67 2.04 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 0.90 0.90 0.00 0.00 13 L 8.08 3.98 0.00 1.85 1.90 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.07 4.39 0.00 4.19 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 15 K 8.07 4.07 0.00 2.11 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 16 L 7.89 4.04 0.00 1.74 1.55 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.43 4.22 0.00 3.14 2.89 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 0.00 0.00 0.00 0.00 18 H 8.96 4.19 0.00 3.16 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.05 3.94 2.01 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 0.90 0.00 0.00 20 E 8.46 3.94 0.00 2.30 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 0.00 2.52 2.48 0.00 21 N 8.37 4.28 0.00 2.84 2.87 0.00 0.00 7.09 8.37 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 22 E 8.08 3.94 0.00 2.11 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 0.00 2.25 2.29 0.00 23 L 8.27 4.02 0.00 1.81 1.71 0.91 1.27 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 24 A 8.30 3.96 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 25 R 7.98 3.87 0.00 2.13 2.00 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 26 S 7.99 4.11 0.00 4.06 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 27 K 7.71 3.85 0.00 1.89 2.06 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 28 K 8.03 4.02 0.00 1.87 1.82 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 29 L 7.94 4.07 0.00 1.75 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.46 4.15 0.00 1.79 1.58 0.92 0.86 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