NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6117 8.3649 120.5175 54.6628 43.3474 176.7550 2 Q 3.9522 7.8691 115.8045 57.3664 28.9433 174.7876 3 E 4.1156 8.9658 115.3594 58.7745 30.6137 176.5109 4 S 4.6291 7.9548 114.3943 56.3142 67.2119 174.6334 5 C 4.6082 8.4813 123.1234 55.8205 41.1610 172.0676 6 K 4.2434 6.6656 120.9777 54.1121 37.5717 180.5239 7 G 3.5247 6.2640 112.3605 46.4675 0.0000 176.1031 8 R 3.8110 9.4105 118.3023 59.1175 30.4676 177.3214 9 C 4.3772 8.8227 120.4350 56.9926 37.7706 174.1481 10 T 4.2441 8.6107 125.8656 66.7076 68.5398 177.0491 11 E 3.9634 8.6204 120.0752 59.5468 29.4318 178.5581 12 G 4.1061 8.2909 104.0884 44.2467 0.0000 173.0007 13 F 4.8507 7.8413 114.3909 56.1146 40.2413 172.3642 14 N 4.4137 7.5859 116.8921 53.0658 41.8227 172.8287 15 V 2.9513 7.8391 124.7953 63.1296 29.2358 171.7299 16 D 4.4687 7.8311 129.4349 52.3741 39.8075 177.0048 17 K 4.3959 7.6583 118.9521 55.6769 33.1124 177.8447 18 K 4.2535 8.5959 123.8744 57.9337 32.3699 177.8827 19 C 4.5223 8.1204 119.4706 55.7451 43.4052 172.0311 20 Q 4.3816 9.0085 128.2480 57.3334 29.5005 174.3250 21 C 5.0231 7.7057 115.9197 57.5659 47.8297 174.1586 22 D 3.8829 8.3102 119.6901 54.7780 37.1599 176.6677 23 E 4.1932 6.0697 131.4254 55.2964 29.7918 174.9782 24 L 4.6176 7.1280 125.6528 56.3512 45.1151 177.0529 25 C 4.4864 7.8839 116.1847 60.0030 40.4689 175.8563 26 S 3.7750 7.3814 113.2237 61.4318 62.3555 175.4302 27 Y 4.4208 6.8780 116.5964 60.2835 38.2246 176.1169 28 Y 4.5241 7.9352 122.2366 56.9410 38.5394 176.6651 29 Q 3.7118 9.4946 129.9554 56.5203 27.8459 175.9911 30 S 4.6809 8.1605 102.5692 58.3901 67.3445 173.9023 31 C 4.0941 8.2735 122.1945 58.1175 44.7517 174.0752 32 C 4.3202 7.9972 120.7941 57.7098 43.0523 172.9752 33 T 3.4398 8.5201 119.1790 62.7007 67.2826 172.0376 34 D 4.5391 8.3068 119.1676 56.8107 43.7984 174.4453 35 Y 4.9338 7.2796 116.8034 57.0742 38.6779 175.1582 36 T 4.2028 8.2514 113.8589 62.9870 69.3937 176.1290 37 A 4.2564 7.6491 124.1232 52.1592 20.1682 176.8300 38 E 4.8740 7.5666 113.2335 54.2898 31.9687 177.2776 39 C 4.6624 8.4264 120.8036 55.8896 42.2701 172.1317 40 K 4.2506 7.7723 123.0520 53.9553 34.5377 172.6787 41 P 3.3988 0.0000 0.0000 62.4281 30.8527 174.8776 42 Q 4.2128 7.4909 120.4216 56.6864 30.6357 176.1692 43 V 4.4049 7.3914 110.8861 60.0505 33.7214 176.4589 44 T 4.2247 8.6658 117.9554 64.5150 67.1003 173.8807 45 R 4.1046 7.8093 121.8674 54.7360 30.1102 177.2103 46 G 4.7910 7.3093 115.0027 46.9477 0.0000 172.3312 47 D 4.5104 7.2326 120.9587 53.2532 39.9008 174.1114 48 V 3.4656 7.7752 119.4158 63.8084 31.6650 172.7002 49 F 4.4883 7.8051 124.6498 57.1802 38.4811 175.8170 50 T 4.1919 7.5169 118.4738 62.8679 69.5578 175.0122 51 M 4.0757 8.4301 121.7073 55.5434 31.4346 176.0886 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 D 8.36 4.61 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 3.95 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.19 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 3 E 8.97 4.12 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 4 S 7.95 4.63 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.61 0.00 2.96 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 6 K 6.67 4.24 0.00 1.09 1.48 0.00 1.19 0.00 0.00 2.26 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.16 7.81 7 G 6.26 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.41 3.81 0.00 2.12 2.01 0.00 3.22 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 9 C 8.82 4.38 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 4.24 4.30 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 1.20 0.00 0.00 11 E 8.62 3.96 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 12 G 8.29 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 4.85 0.00 3.15 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 14 N 7.59 4.41 0.00 2.52 2.53 0.00 0.00 6.67 7.61 0.00 0.00 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 V 7.84 2.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.85 0.00 0.00 16 D 7.83 4.47 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.40 0.00 2.13 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.74 7.81 18 K 8.60 4.25 0.00 1.81 1.95 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.82 1.45 7.81 19 C 8.12 4.52 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 20 Q 9.01 4.38 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 21 C 7.71 5.02 0.00 2.89 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 22 D 8.31 3.88 0.00 2.80 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 0.00 0.00 0.00 0.00 23 E 6.07 4.19 0.00 2.21 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 2.31 2.42 0.00 24 L 7.13 4.62 0.00 1.74 1.61 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.88 4.49 0.00 3.06 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 26 S 7.38 3.78 0.00 3.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 6.88 4.42 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 28 Y 7.94 4.52 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 9.49 3.71 0.00 1.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.83 0.00 0.00 0.00 0.00 0.00 2.04 2.50 0.00 30 S 8.16 4.68 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.27 4.09 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.00 4.32 0.00 3.04 2.93 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 33 T 8.52 3.44 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 D 8.31 4.54 0.00 2.40 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 0.00 0.00 0.00 0.00 35 Y 7.28 4.93 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.25 4.20 4.26 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 1.28 0.00 0.00 37 A 7.65 4.26 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 38 E 7.57 4.87 0.00 2.06 1.93 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 2.11 2.16 0.00 39 C 8.43 4.66 0.00 3.10 3.10 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 0.00 0.00 0.00 40 K 7.77 4.25 0.00 1.57 1.55 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 1.27 7.81 41 P 0.00 3.40 0.00 1.05 0.49 0.00 3.48 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 42 Q 7.49 4.21 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 43 V 7.39 4.40 2.15 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 0.69 0.00 0.00 1.10 0.00 0.00 44 T 8.67 4.22 4.37 0.00 0.00 0.00 0.00 0.00 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 45 R 7.81 4.10 0.00 2.00 1.98 0.00 3.39 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 46 G 7.31 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.23 4.51 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.78 3.47 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.95 0.00 0.00 49 F 7.81 4.49 0.00 2.77 3.10 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 0.00 0.00 0.00 50 T 7.52 4.19 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 1.20 0.00 0.00 51 M 8.43 4.08 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00