NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4836 8.1933 116.7948 58.2540 64.2252 174.0319 2 S 4.0263 8.3779 116.0000 60.6833 62.2217 175.0356 3 D 4.1816 8.7520 121.9113 56.8932 41.7470 176.0942 4 P 4.2708 0.0000 0.0000 65.3388 31.2607 178.7453 5 L 3.9953 7.9953 118.2761 57.7663 41.6241 179.7981 6 V 3.6195 7.2818 118.9859 64.6953 31.2226 178.4924 7 V 3.5179 7.6085 118.7203 65.7022 31.4205 177.7050 8 A 3.9777 8.0464 120.1627 55.2447 18.2201 179.3840 9 A 3.9414 8.1263 119.1251 55.3888 18.4497 179.9555 10 S 4.0720 8.0969 113.5404 61.9108 62.9330 177.0382 11 I 3.7253 7.8111 122.2817 64.3770 36.8530 178.4931 12 I 3.7996 7.9815 120.7513 64.3926 37.0011 178.6174 13 G 3.6856 8.1850 106.4081 47.9032 0.0000 175.6892 14 I 3.7408 7.8711 122.2824 64.0583 37.1677 178.4272 15 L 4.0116 8.0532 119.7911 58.1363 41.4973 179.0572 16 H 4.2627 8.3199 118.0117 59.2087 29.7955 176.9514 17 L 3.9679 8.0145 121.9977 58.2486 41.9608 178.9012 18 I 3.7476 7.8943 119.6385 64.4464 37.0983 178.2700 19 L 4.0374 8.0861 119.6514 57.6099 41.5226 179.3655 20 W 4.2243 8.4323 128.0782 60.6921 30.6504 177.9232 21 I 3.6609 8.0332 119.6714 64.3890 36.3152 178.1636 22 L 3.9419 7.8265 120.0033 58.2218 41.9610 178.4724 23 D 4.3830 7.8630 117.9995 57.3924 40.7888 178.6859 24 R 3.8087 7.4576 117.6274 58.7074 30.0654 177.0563 25 L 4.2010 7.6180 123.8509 55.3078 42.2504 176.2606 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 8.19 4.48 0.00 3.90 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 2 S 8.38 4.03 0.00 3.94 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 3 D 8.75 4.18 0.00 2.78 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 4 P 0.00 4.27 0.00 2.19 2.08 0.00 3.65 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 2.11 2.18 0.00 5 L 8.00 4.00 0.00 1.70 1.71 0.95 0.87 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 6 V 7.28 3.62 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 0.87 0.00 0.00 0.93 0.00 0.00 7 V 7.61 3.52 2.21 0.00 0.00 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 8 A 8.05 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.07 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.73 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 0.71 0.92 0.00 0.00 12 I 7.98 3.80 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 1.46 1.03 0.91 0.00 0.00 13 G 8.19 3.69 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 0.00 0.00 0.00 14 I 7.87 3.74 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.05 0.93 0.00 0.00 15 L 8.05 4.01 0.00 1.88 1.75 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.32 4.26 0.00 3.21 3.42 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 8.01 3.97 0.00 1.89 1.85 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.89 3.75 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.94 0.00 0.00 19 L 8.09 4.04 0.00 2.01 1.83 0.98 0.69 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 20 W 8.43 4.22 0.00 3.47 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 21 I 8.03 3.66 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.83 0.92 0.00 0.00 22 L 7.83 3.94 0.00 1.73 1.89 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.86 4.38 0.00 2.51 2.47 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 0.00 24 R 7.46 3.81 0.00 1.73 1.82 0.00 3.15 0.00 0.00 2.79 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.39 0.00 25 L 7.62 4.20 0.00 1.71 1.67 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00