NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4580 8.3344 116.7947 58.3697 64.0981 175.5061 2 S 4.4430 8.5305 123.4323 55.8642 65.0583 171.2282 3 D 4.4301 8.6388 126.7607 54.2708 42.5341 175.2001 4 P 4.3305 0.0000 0.0000 65.8968 31.4090 178.7191 5 L 4.0861 7.9212 117.9945 56.9742 41.2682 178.7474 6 V 3.8418 7.6303 117.5536 64.6069 31.6033 177.6079 7 V 3.8229 7.5958 116.8363 64.8042 31.6350 177.5877 8 A 3.9397 7.9072 120.7896 55.2590 18.2099 179.4402 9 A 4.0121 7.8651 117.7942 55.1865 18.5809 179.8934 10 S 4.1899 7.6285 114.2686 61.8687 62.9739 176.5567 11 I 3.6547 7.8551 122.4112 64.8001 36.8136 178.4420 12 I 3.8113 7.7613 119.8520 63.9259 37.0430 178.1633 13 A 3.9795 8.0768 121.6939 55.2833 18.3911 179.5154 14 I 3.6045 7.7350 117.7048 64.7580 37.3288 178.3316 15 L 4.0299 7.7803 119.5325 58.2491 41.3475 179.4609 16 H 4.3418 8.1665 118.1894 59.1671 29.9265 177.0537 17 L 3.9991 8.0358 121.6804 57.4869 41.7800 179.0593 18 I 3.7858 7.6244 119.9019 64.5647 37.0244 177.9679 19 L 4.0476 7.8282 118.4254 57.6139 41.6731 179.3675 20 W 4.1868 8.5959 128.2480 60.6002 30.4163 177.5528 21 I 3.7046 8.1765 118.6106 64.6287 37.0971 177.6157 22 L 4.0251 7.8344 118.3045 57.3561 41.5206 178.4940 23 D 4.3828 7.9757 117.9850 56.3852 42.4306 177.1808 24 R 4.0360 6.7578 119.5423 52.2443 28.5795 176.4179 25 L 4.2187 7.8440 120.6331 54.7331 41.4722 174.1954 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 4.46 0.00 3.88 3.20 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 2 S 8.53 4.44 0.00 3.84 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 3 D 8.64 4.43 0.00 2.71 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 4 P 0.00 4.33 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 5 L 7.92 4.09 0.00 1.71 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.63 3.84 2.29 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 1.00 0.00 0.00 0.93 0.00 0.00 7 V 7.60 3.82 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 8 A 7.91 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.19 0.00 4.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.65 2.01 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 1.53 1.56 0.92 0.00 0.00 12 I 7.76 3.81 2.08 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 1.46 0.88 0.90 0.00 0.00 13 A 8.08 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.60 1.88 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 1.85 1.40 0.92 0.00 0.00 15 L 7.78 4.03 0.00 1.86 1.78 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.17 4.34 0.00 3.42 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.04 4.00 0.00 1.74 1.80 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.62 3.79 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.68 0.95 0.00 0.00 19 L 7.83 4.05 0.00 1.76 1.82 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.60 4.19 0.00 3.46 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.18 3.70 2.34 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 1.03 0.00 0.00 22 L 7.83 4.03 0.00 1.98 1.70 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.98 4.38 0.00 2.60 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 24 R 6.76 4.04 0.00 1.71 1.69 0.00 2.73 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.00 25 L 7.84 4.22 0.00 1.63 1.83 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00