NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2179 8.3001 120.3265 50.7629 34.2417 174.4596 2 A 3.2853 8.2572 131.3819 51.4771 15.8654 173.5230 3 S 4.0432 8.5870 114.5817 58.7916 63.4652 172.5904 4 K 4.0532 8.7711 129.5676 58.8633 32.1868 175.7835 5 P 4.2892 0.0000 0.0000 61.9284 31.6284 175.7498 6 E 3.8819 8.8228 121.5764 57.1456 29.7586 177.7530 7 K 3.5596 8.3908 124.5181 57.0103 31.7049 172.7429 8 R 4.6416 7.9648 115.1879 55.4450 31.7853 175.8587 9 V 3.8000 8.1837 116.5355 63.2179 32.2371 175.7111 10 A 4.8842 8.1231 125.2673 50.5116 21.9302 175.5771 11 S 4.6308 8.1690 112.5846 56.9719 65.5027 173.7489 12 S 4.5495 8.4330 120.5047 56.8478 64.6812 173.2239 13 V 4.6277 7.6591 125.6732 60.9862 33.8307 172.5480 14 F 4.6640 8.0289 113.2214 57.5192 40.4803 171.2033 15 I 4.0570 8.1200 112.1800 61.6575 39.2850 173.2689 16 T 4.4251 7.9649 111.5843 61.6692 69.7762 173.9256 17 L 4.3866 8.4771 127.6890 53.7700 41.5439 176.7561 18 A 4.5568 8.0338 126.7642 49.0902 19.0967 173.3731 19 P 4.4128 0.0000 0.0000 61.2745 32.3850 174.7590 20 P 4.4505 0.0000 0.0000 62.4187 31.4231 176.1720 21 R 3.9749 8.3991 117.6538 56.7062 30.2466 177.2101 22 R 4.0187 8.4265 121.9212 57.1162 30.5290 176.7026 23 D 4.5384 8.2831 117.5753 55.3584 43.4601 175.4703 24 V 3.8130 7.8760 116.6860 61.8219 31.4925 175.9008 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 M 8.30 4.22 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 8.26 3.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.04 0.00 3.84 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 K 8.77 4.05 0.00 1.75 1.82 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.47 7.81 5 P 0.00 4.29 0.00 2.08 1.98 0.00 3.64 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 2.02 2.07 0.00 6 E 8.82 3.88 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 7 K 8.39 3.56 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.40 7.81 8 R 7.96 4.64 0.00 1.88 1.97 0.00 3.08 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 9 V 8.18 3.80 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 0.79 0.00 0.00 0.93 0.00 0.00 10 A 8.12 4.88 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.17 4.63 0.00 3.80 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 12 S 8.43 4.55 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 4.63 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 0.78 0.00 0.00 0.96 0.00 0.00 14 F 8.03 4.66 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.12 4.06 1.81 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 1.31 0.56 0.81 0.00 0.00 16 T 7.96 4.43 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 17 L 8.48 4.39 0.00 1.68 1.63 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.03 4.56 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 19 P 0.00 4.41 0.00 2.05 2.01 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 20 P 0.00 4.45 0.00 2.05 2.05 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 21 R 8.40 3.97 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 22 R 8.43 4.02 0.00 1.80 1.87 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 23 D 8.28 4.54 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.81 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 0.71 0.00 0.00 0.93 0.00 0.00