NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2880 8.4444 121.4676 56.2981 30.8349 174.1136 2 M 4.6947 8.0742 119.7667 53.3337 35.4437 171.9389 3 R 4.6694 9.2321 123.4287 57.0970 37.7400 174.4700 4 L 4.6959 7.5087 119.6552 53.5639 43.0841 174.6095 5 S 4.8657 8.5000 118.3678 58.3769 70.0800 176.6764 6 K 4.0316 8.2540 120.7848 59.5728 32.1289 178.3936 7 F 4.1646 8.3196 120.4622 60.7842 39.3539 176.8998 8 F 4.4042 8.5848 120.0201 61.6495 39.2350 177.1172 9 R 3.7602 8.4990 116.9262 58.4179 29.7623 178.0826 10 D 4.4481 7.7118 117.1042 55.9953 41.2961 176.1108 11 F 4.5674 7.5797 118.5261 59.8352 41.5917 176.5194 12 I 3.0172 8.2397 121.0206 64.0955 36.9369 177.0574 13 L 3.8766 7.2810 119.1174 58.3941 40.0514 177.4099 14 Q 4.1396 8.1542 119.7523 54.5970 29.1260 175.7834 15 R 3.8869 8.6677 122.8065 59.1755 30.3571 177.4509 16 K 3.7739 7.6990 115.1270 57.2766 32.8640 176.7520 17 K 4.2596 8.5735 119.2088 57.1782 31.9948 175.7867 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 E 8.44 4.29 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 2 M 8.07 4.69 0.00 2.03 1.85 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 2.45 2.57 0.00 3 R 9.23 4.67 0.00 1.73 1.81 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 4 L 7.51 4.70 0.00 1.60 1.51 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.50 4.87 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.25 4.03 0.00 1.90 1.89 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.49 7.81 7 F 8.32 4.16 0.00 3.18 3.01 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 0.00 0.00 0.00 8 F 8.58 4.40 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.50 3.76 0.00 2.28 2.01 0.00 3.26 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 10 D 7.71 4.45 0.00 2.77 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 11 F 7.58 4.57 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.24 3.02 1.64 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.76 0.00 0.00 13 L 7.28 3.88 0.00 1.64 1.94 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.15 4.14 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 15 R 8.67 3.89 0.00 1.72 1.92 0.00 3.21 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 16 K 7.70 3.77 0.00 1.66 1.78 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.55 7.81 17 K 8.57 4.26 0.00 2.04 2.13 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.56 7.81