NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2165 8.4444 120.2367 56.3894 31.4894 176.0322 2 N 4.3718 8.0196 121.3471 52.1616 38.5284 174.3160 3 F 4.6398 8.4818 131.8927 57.1109 38.6397 174.5423 4 S 4.4229 8.8394 114.6174 57.4667 64.5555 174.3868 5 G 3.2627 8.5865 114.1521 46.7296 0.0000 173.3572 6 G 3.7171 7.1808 113.7684 45.0156 0.0000 173.7177 7 C 4.7073 8.2094 121.8326 56.3764 49.7920 176.0383 8 V 3.9428 8.9314 119.8574 60.8357 33.3099 173.2023 9 A 4.1796 8.2885 124.8012 54.9846 17.7805 177.6378 10 G 3.9708 9.4072 111.0844 45.6898 0.0000 171.1040 11 Y 5.0154 8.3356 118.2353 56.1292 40.9851 175.6523 12 M 4.8384 9.2121 123.3609 54.6990 33.7301 174.7349 13 R 5.1776 8.4219 118.9586 54.8822 32.5997 175.4753 14 T 4.6123 8.9782 116.6486 59.6226 71.2886 173.4872 15 P 4.5481 0.0000 0.0000 63.8989 31.2970 176.6420 16 D 4.4923 7.8789 118.7966 55.0208 41.2611 177.5868 17 G 3.9222 8.2017 107.0071 44.9020 0.0000 173.3022 18 R 4.5670 7.5655 118.8249 55.2237 33.0229 175.3931 19 C 5.5766 8.6764 116.3122 55.5523 40.3716 173.8570 20 K 4.9485 9.2961 122.7841 54.0148 35.7131 173.3479 21 P 4.3841 0.0000 0.0000 62.1832 32.8834 176.7350 22 T 4.1468 8.8523 113.4707 61.9211 68.9266 176.4374 23 F 4.2038 8.3153 120.0079 60.2047 38.1605 176.4587 24 Y 3.9886 6.4841 117.0501 57.2047 38.4174 177.0198 25 Q 3.4864 7.0413 120.2113 58.2661 28.8058 177.5082 26 L 4.1734 7.5710 119.8967 58.0447 41.0776 178.5016 27 I 3.9736 7.3699 112.9345 62.7075 37.9559 175.9671 28 T 4.1632 7.7182 121.1690 63.4568 68.5425 174.1188 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 E 8.44 4.22 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 2 N 8.02 4.37 0.00 2.78 2.79 0.00 0.00 6.93 6.15 0.00 0.00 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 F 8.48 4.64 0.00 2.95 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 4 S 8.84 4.42 0.00 3.94 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 5 G 8.59 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.71 0.00 3.00 2.92 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 8 V 8.93 3.94 2.16 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 1.07 0.00 0.00 0.60 0.00 0.00 9 A 8.29 4.18 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.41 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.34 5.02 0.00 3.03 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 12 M 9.21 4.84 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 13 R 8.42 5.18 0.00 1.95 1.87 0.00 3.25 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 T 8.98 4.61 4.34 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 1.28 0.00 0.00 15 P 0.00 4.55 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 16 D 7.88 4.49 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 18 R 7.57 4.57 0.00 1.86 1.94 0.00 3.16 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 19 C 8.68 5.58 0.00 2.99 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.30 4.95 0.00 1.82 1.66 0.00 1.68 0.00 0.00 2.15 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 21 P 0.00 4.38 0.00 2.28 1.19 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.02 0.00 22 T 8.85 4.15 4.16 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 1.15 0.00 0.00 23 F 8.32 4.20 0.00 3.24 3.29 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 0.00 0.00 0.00 0.00 24 Y 6.48 3.99 0.00 2.63 1.64 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 25 Q 7.04 3.49 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.80 0.00 0.00 0.00 0.00 0.00 1.82 2.24 0.00 26 L 7.57 4.17 0.00 1.75 1.74 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.37 3.97 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.65 0.97 0.00 0.00 28 T 7.72 4.16 4.29 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 0.00 0.00 0.00 1.26 0.00 0.00