NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3187 8.2549 117.2698 56.0660 31.2200 173.1286 2 Q 4.2982 7.6824 117.5443 56.0806 30.7490 173.7565 3 I 2.0000 7.5711 117.3977 62.5778 34.9547 173.9675 4 K 4.6069 8.3926 118.5707 57.9555 34.3099 176.7480 5 I 4.7449 7.8337 110.6293 59.1129 40.8752 177.0002 6 W 4.2798 9.5196 112.4115 60.3530 26.7508 177.2921 7 F 4.0681 7.9691 118.8215 58.5231 37.4794 176.5386 8 Q 3.6188 7.9522 120.6138 59.1694 28.6700 177.3703 9 N 3.9343 8.8107 117.6668 55.2538 38.5075 176.6999 10 R 4.3170 7.6851 116.2086 57.2374 29.6853 178.4251 11 R 3.8785 8.1993 120.8381 59.4573 29.9512 177.7763 12 M 4.0744 8.6798 116.7611 58.2267 31.3822 177.4705 13 K 4.4126 7.5739 119.1793 57.8458 32.4805 175.6796 14 W 4.6868 7.9126 120.4073 54.9770 32.0113 176.8913 15 K 4.6482 8.8704 120.0680 56.9367 32.8844 176.1214 16 K 4.1650 8.8991 124.2428 57.6053 31.9621 176.4105 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 R 8.25 4.32 0.00 1.80 1.98 0.00 2.84 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 2 Q 7.68 4.30 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 3 I 7.57 2.00 1.08 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.39 0.00 0.00 4 K 8.39 4.61 0.00 1.91 1.93 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.33 7.81 5 I 7.83 4.74 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 1.01 0.00 0.00 6 W 9.52 4.28 0.00 3.71 3.10 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 0.00 0.00 0.00 7 F 7.97 4.07 0.00 2.53 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.62 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 9 N 8.81 3.93 0.00 3.05 2.91 0.00 0.00 7.48 5.33 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 10 R 7.69 4.32 0.00 2.05 2.18 0.00 2.97 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 11 R 8.20 3.88 0.00 1.59 1.70 0.00 2.65 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.85 0.00 12 M 8.68 4.07 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 13 K 7.57 4.41 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.63 7.81 14 W 7.91 4.69 0.00 3.50 3.28 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 0.00 0.00 0.00 0.00 15 K 8.87 4.65 0.00 1.81 1.76 0.00 1.35 0.00 0.00 0.75 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.09 1.09 7.81 16 K 8.90 4.17 0.00 1.80 1.77 0.00 2.07 0.00 0.00 0.69 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.05 7.81