NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3957 8.3231 116.7970 59.3929 64.9470 174.6366 2 G 3.7967 8.5986 108.3853 46.0089 0.0000 173.0166 3 S 4.8428 8.4888 113.8788 57.7136 65.0001 174.8234 4 W 3.9095 8.6355 131.8766 60.4745 30.5732 176.5285 5 L 4.3750 8.2192 118.9170 58.2868 40.1083 179.1410 6 R 4.1679 7.8705 118.9932 58.8406 29.9069 177.8698 7 D 4.3364 8.4844 118.1913 57.5832 41.3000 178.2851 8 I 3.6256 7.3029 118.4836 63.7188 37.8301 177.6388 9 W 4.1195 7.9986 128.1515 60.1325 30.4668 177.3430 10 D 4.3825 8.7982 118.6190 57.2513 40.5777 178.3132 11 W 3.9558 7.9516 128.1015 60.5190 30.8122 177.8997 12 I 2.9545 7.7979 118.0622 63.6568 37.2930 177.4493 13 C 3.4130 7.8670 120.1873 62.0507 30.7789 175.3959 14 E 3.7858 7.4964 119.8736 59.3235 28.7171 179.5274 15 V 3.2509 6.9212 117.8846 65.6350 31.4547 177.7879 16 L 3.6257 7.5098 119.9380 57.3307 41.8073 178.7379 17 S 4.0618 7.5664 113.1347 61.6375 62.4626 175.8400 18 D 4.4078 7.6193 121.1315 57.4464 40.5228 178.8402 19 F 3.8375 8.0608 117.9581 60.4570 38.8273 177.6665 20 K 4.1355 8.4244 119.2447 59.8198 32.0191 179.0220 21 T 3.6556 8.0986 116.1998 66.2896 68.0742 176.4332 22 W 4.0338 8.0061 129.4766 60.2130 31.1352 177.5492 23 L 3.6443 8.1175 119.9716 57.6622 41.3982 178.7474 24 K 3.9757 8.6760 119.4645 59.2023 32.1682 178.3178 25 A 4.0432 7.7745 120.5415 52.9169 18.6468 178.4717 26 K 4.1778 7.6002 116.0445 56.1082 31.4476 181.3082 27 L 3.3975 9.1935 121.3099 56.1271 41.9657 172.0628 28 M 3.1773 8.5194 110.8766 55.9800 28.6536 174.6908 29 P 4.3545 0.0000 0.0000 65.0807 32.0020 177.2622 30 Q 4.1647 7.1322 117.2875 54.9041 31.9062 173.9544 31 L 3.9407 7.8637 123.8193 55.5446 43.1040 174.2460 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 8.32 4.40 0.00 3.88 3.89 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 2 G 8.60 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 0.00 0.00 0.00 3 S 8.49 4.84 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 W 8.64 3.91 0.00 3.45 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.22 4.37 0.00 2.09 2.10 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.87 4.17 0.00 2.05 2.05 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 7 D 8.48 4.34 0.00 2.79 2.46 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 8 I 7.30 3.63 1.52 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.04 1.08 0.00 0.00 9 W 8.00 4.12 0.00 3.69 3.45 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 10 D 8.80 4.38 0.00 3.14 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.95 3.96 0.00 3.40 3.32 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 12 I 7.80 2.95 2.16 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.08 0.51 0.00 0.00 13 C 7.87 3.41 0.00 1.23 2.39 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 14 E 7.50 3.79 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 15 V 6.92 3.25 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.08 0.00 0.00 16 L 7.51 3.63 0.00 1.68 1.54 0.68 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.57 4.06 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.62 4.41 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.06 3.84 0.00 3.29 3.17 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 0.00 0.00 0.00 0.00 20 K 8.42 4.14 0.00 1.95 2.02 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 21 T 8.10 3.66 4.47 0.00 0.00 0.00 0.00 0.00 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 22 W 8.01 4.03 0.00 3.18 3.38 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 23 L 8.12 3.64 0.00 2.18 1.70 1.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.68 3.98 0.00 1.85 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.77 4.04 1.28 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 0.00 0.00 26 K 7.60 4.18 0.00 1.44 0.74 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.26 7.81 27 L 9.19 3.40 0.00 1.87 1.59 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.52 3.18 0.00 2.13 2.00 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 2.48 2.41 0.00 29 P 0.00 4.35 0.00 2.16 2.15 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 30 Q 7.13 4.16 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.24 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 31 L 7.86 3.94 0.00 1.75 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00