NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3552 8.3301 116.7950 58.6259 63.7455 173.1145 2 A 4.6721 9.3533 133.3139 50.5989 21.9322 169.6830 3 V 4.8854 7.2084 119.8532 61.3761 34.6862 169.3555 4 L 4.6864 7.8444 123.6413 53.4479 43.2882 175.7197 5 Q 3.9058 8.7034 122.7544 56.3194 29.0222 176.3295 6 K 4.4427 8.4389 125.2586 55.8206 33.5465 176.0879 7 K 4.7730 8.3987 117.7249 54.6294 35.9298 178.1424 8 I 3.7037 8.4428 122.6440 64.6900 37.2038 178.3885 9 T 4.2635 7.8174 108.5722 63.7810 68.7118 174.5657 10 D 4.5101 8.0249 121.3027 55.3888 40.9942 176.2273 11 Y 4.5173 8.1339 114.5221 58.3952 41.7805 175.6176 12 F 5.2465 8.1354 117.0445 56.0306 41.2918 174.3498 13 H 5.0665 8.7541 121.6803 53.2028 31.5826 171.8378 14 P 4.6400 0.0000 0.0000 62.0892 32.1753 178.1328 15 K 4.3931 8.2839 121.4927 56.3680 29.6337 177.4297 16 K 4.1680 7.8246 120.9651 56.9207 32.8008 177.9016 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 S 8.33 4.36 0.00 3.88 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.35 4.67 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.21 4.89 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 0.69 0.00 0.00 0.93 0.00 0.00 4 L 7.84 4.69 0.00 1.68 1.57 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.70 3.91 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 6 K 8.44 4.44 0.00 1.98 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 7 K 8.40 4.77 0.00 1.87 1.64 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.39 7.81 8 I 8.44 3.70 1.91 0.00 0.00 0.77 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 1.10 1.02 0.00 0.00 9 T 7.82 4.26 4.23 0.00 0.00 0.00 0.00 0.00 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 10 D 8.02 4.51 0.00 2.25 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 0.00 0.00 0.00 11 Y 8.13 4.52 0.00 2.18 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 5.25 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.75 5.07 0.00 3.13 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.64 0.00 2.06 2.00 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 15 K 8.28 4.39 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 16 K 7.82 4.17 0.00 1.85 1.80 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.57 7.81