NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3889 8.3344 115.4126 58.0332 64.3185 172.5527 2 V 4.1316 8.2529 122.0903 59.2967 33.3738 173.1876 3 S 4.7323 9.3506 123.1421 57.6576 66.1369 172.8666 4 E 3.7765 8.7089 119.6882 57.5481 27.2667 176.9875 5 I 3.5542 7.8067 119.6304 64.4249 38.1811 176.5994 6 Q 3.9816 7.8964 118.3975 58.4034 28.3863 177.8982 7 L 3.7804 7.7783 120.3307 58.6714 41.9730 178.6569 8 M 4.2124 7.8778 118.1198 58.6913 31.6477 178.5066 9 H 4.3228 7.7312 115.0512 58.8180 29.1711 177.2822 10 N 4.3738 8.5626 118.8886 54.5146 39.3321 175.4082 11 L 3.7042 7.9473 118.6027 55.8180 39.8147 173.1686 12 G 3.6837 8.1541 112.5019 46.7262 0.0000 174.6402 13 K 4.1122 7.7725 119.3921 58.6425 32.5284 177.6581 14 H 4.3563 8.5863 117.1881 57.1981 30.3856 173.7945 15 L 3.6168 7.5501 120.8743 55.2990 38.2852 172.8854 16 N 4.9540 8.1699 116.6425 52.6389 43.2425 175.9487 17 S 4.4117 7.6591 111.6315 59.8869 64.1273 175.2725 18 M 4.1448 8.4176 122.8870 57.5643 32.8891 177.3913 19 E 4.0308 8.1073 118.7041 59.2676 29.7664 178.7724 20 R 4.1166 8.1054 118.4476 59.5989 30.2672 178.3846 21 V 3.6126 7.7195 118.4736 65.3057 31.1624 178.1059 22 E 3.9761 8.0322 118.4562 58.8641 29.3418 179.1036 23 W 4.2603 8.1574 127.9888 60.5664 30.7829 178.0674 24 L 3.1720 7.9852 118.9783 57.4088 40.7327 179.6062 25 R 3.8274 8.2274 118.4964 59.1815 30.0306 179.0438 26 K 4.0074 7.9086 118.9905 59.3351 32.1674 178.6238 27 K 4.2653 7.7109 121.2603 58.9087 31.8850 178.6224 28 L 3.9587 7.7804 119.1961 57.9398 41.5217 179.5706 29 Q 4.0452 7.7090 117.5935 58.8155 28.5055 178.4320 30 D 4.4271 8.1379 120.0128 57.5105 41.0100 178.9483 31 V 3.6834 8.2554 119.1475 66.1989 31.6030 177.3106 32 H 4.2257 8.5300 118.0732 58.7748 29.9174 176.4408 33 N 5.2247 8.1264 116.8751 53.1792 39.0211 175.0465 34 F 4.3394 7.9744 120.9982 59.3887 41.5783 176.0607 35 V 4.3272 8.0366 109.5270 62.1658 34.1229 176.1689 36 A 4.6917 7.6556 119.5980 50.5151 21.9384 176.5628 37 L 4.7220 7.8528 122.6122 52.9902 40.2086 175.9560 38 G 3.9472 8.2645 108.5687 46.1607 0.0000 171.0965 39 A 4.1088 7.6867 127.0425 51.6284 19.3499 175.6391 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 4.39 0.00 3.99 3.94 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 V 8.25 4.13 2.07 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 0.82 0.00 0.00 0.93 0.00 0.00 3 S 9.35 4.73 0.00 3.99 3.82 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 E 8.71 3.78 0.00 2.24 2.04 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 2.31 2.34 0.00 5 I 7.81 3.55 1.82 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 1.59 1.16 0.88 0.00 0.00 6 Q 7.90 3.98 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 7 L 7.78 3.78 0.00 1.62 1.83 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.88 4.21 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 9 H 7.73 4.32 0.00 3.36 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.56 4.37 0.00 2.99 2.98 0.00 0.00 6.58 5.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.95 3.70 0.00 1.86 1.99 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.15 3.68 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 13 K 7.77 4.11 0.00 1.96 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.38 7.81 14 H 8.59 4.36 0.00 3.18 3.46 0.00 6.08 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.55 3.62 0.00 1.53 1.61 0.64 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.17 4.95 0.00 2.68 2.77 0.00 0.00 7.14 7.50 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 17 S 7.66 4.41 0.00 4.04 3.88 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 18 M 8.42 4.14 0.00 2.13 2.12 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 2.74 2.70 0.00 19 E 8.11 4.03 0.00 2.23 2.07 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 2.48 2.39 0.00 20 R 8.11 4.12 0.00 2.07 2.08 0.00 3.49 0.00 0.00 3.57 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.85 0.00 21 V 7.72 3.61 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 1.10 0.00 0.00 0.93 0.00 0.00 22 E 8.03 3.98 0.00 2.42 2.12 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 2.37 2.39 0.00 23 W 8.16 4.26 0.00 3.36 3.48 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 24 L 7.99 3.17 0.00 1.64 1.42 -0.62 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.23 3.83 0.00 1.99 1.96 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 K 7.91 4.01 0.00 1.94 1.99 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.72 7.81 27 K 7.71 4.27 0.00 1.53 1.57 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.15 1.24 7.81 28 L 7.78 3.96 0.00 1.88 1.65 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.71 4.05 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 30 D 8.14 4.43 0.00 2.98 2.98 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 31 V 8.26 3.68 2.20 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 0.92 0.00 0.00 0.86 0.00 0.00 32 H 8.53 4.23 0.00 3.51 3.52 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.13 5.22 0.00 2.74 2.76 0.00 0.00 7.17 7.30 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 34 F 7.97 4.34 0.00 3.24 3.02 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 0.00 0.00 0.00 35 V 8.04 4.33 2.14 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 1.04 0.00 0.00 0.99 0.00 0.00 36 A 7.66 4.69 1.20 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 37 L 7.85 4.72 0.00 1.59 1.49 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.26 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.69 4.11 1.16 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