NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4059 8.1076 123.6008 51.7526 19.8508 177.7158 2 V 2.8919 8.4676 123.0451 63.4844 31.4154 175.8858 3 S 4.1205 8.4737 116.5552 60.2975 63.3202 175.4195 4 A 4.6759 7.8107 121.2634 51.5182 19.0765 175.5737 5 C 3.9753 8.0495 117.9921 61.4902 31.7936 174.0148 6 A 4.1163 8.7664 129.5243 54.0746 18.4185 177.0642 7 L 4.5466 7.4808 114.9236 53.6756 42.8085 175.4327 8 S 4.1689 8.4349 115.0664 58.0965 63.0468 174.2930 9 K 3.8870 8.4622 121.7071 57.4112 32.1300 175.4017 10 C 4.7638 8.3217 121.8182 58.3802 31.1668 172.2768 11 A 3.7221 8.5632 128.0503 51.7924 17.5876 176.9430 12 A 4.7522 7.8752 119.4014 51.6367 19.8129 176.3351 13 A 4.4044 8.1135 117.6396 53.5209 20.4494 177.5341 14 A 3.9788 8.4574 119.0531 55.0986 16.4704 180.0675 15 N 4.6486 7.2878 116.8981 53.8447 36.6643 174.3904 16 V 3.5927 7.9074 124.2960 65.4846 31.9822 176.6547 17 A 3.9148 8.0819 119.6756 55.3500 17.9977 179.3479 18 A 3.9032 8.4134 118.3180 55.2462 18.6528 179.2305 19 H 4.1605 7.9730 116.6342 59.7009 29.6778 177.2330 20 M 4.7981 8.6871 121.6978 58.1604 31.7749 177.7674 21 T 3.9431 7.7539 113.0727 64.6469 67.4046 173.6605 22 H 4.8186 7.3631 110.5489 54.5048 30.2318 172.6397 23 C 4.6842 8.1280 119.5982 58.5817 29.1238 174.9752 24 A 4.4312 8.2389 130.0872 49.9391 18.9840 175.8665 25 K 4.1429 8.0368 125.0573 58.7966 32.4088 175.5966 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 A 8.11 4.41 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.47 2.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.85 0.00 0.00 3 S 8.47 4.12 0.00 3.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.68 1.25 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 0.00 0.00 5 C 8.05 3.98 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.77 4.12 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 7 L 7.48 4.55 0.00 1.74 1.72 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.43 4.17 0.00 3.88 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 9 K 8.46 3.89 0.00 1.71 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 C 8.32 4.76 0.00 3.00 2.89 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 11 A 8.56 3.72 1.38 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 0.00 0.00 12 A 7.88 4.75 1.25 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 0.00 0.00 13 A 8.11 4.40 1.25 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 0.00 0.00 14 A 8.46 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.29 4.65 0.00 2.85 2.74 0.00 0.00 6.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.91 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 17 A 8.08 3.91 1.32 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 0.00 0.00 18 A 8.41 3.90 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 19 H 7.97 4.16 0.00 3.30 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.69 4.80 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 21 T 7.75 3.94 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 22 H 7.36 4.82 0.00 3.25 3.32 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.13 4.68 0.00 2.47 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.43 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 25 K 8.04 4.14 0.00 1.82 1.72 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81