NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4399 8.1933 115.2896 58.4130 64.4808 175.9599 6 E 3.8369 8.0368 119.6368 58.4440 29.3968 175.7551 7 E 3.9421 8.2815 119.2238 59.0247 30.1383 178.5758 8 V 3.6425 7.8463 120.4561 66.6344 31.7478 178.2812 9 E 4.0011 8.1167 117.9250 61.3219 29.5882 181.1977 10 R 4.1953 8.2638 118.9202 58.9480 30.1092 179.0930 11 K 4.0459 7.9972 119.3904 59.3529 32.0950 178.9731 12 L 4.1539 8.2762 119.6479 57.5286 41.4175 179.4364 13 K 3.9494 8.1247 118.6205 59.6435 31.9688 178.9660 14 E 3.9507 8.2388 119.2653 58.9880 29.4856 178.5681 15 F 4.1800 8.3132 120.9535 61.3076 39.4343 177.3039 16 V 3.2000 8.1512 118.0860 65.7686 31.2090 177.9576 17 R 3.8389 8.1792 118.6300 59.5553 29.8651 178.7775 18 R 3.8589 8.2923 118.2977 59.3627 30.0033 178.5582 19 H 3.9194 8.0687 118.2092 59.0974 29.7238 177.0999 20 Q 3.8744 8.1150 121.4567 59.0781 28.8182 177.9069 21 E 3.8600 8.3641 120.5338 59.3276 29.7187 178.6652 22 I 3.6443 7.9188 120.1648 64.7713 37.0661 178.5879 23 T 3.7688 7.8330 116.3394 66.5900 68.2906 176.6247 24 Q 3.8167 8.2471 121.7756 59.2879 29.0534 178.1721 25 E 3.9826 8.5045 120.0038 59.5034 29.3567 179.5396 26 T 3.8497 7.9872 115.9927 66.4649 68.4747 176.4557 27 L 4.0812 8.1205 122.4911 58.5382 42.0936 178.8112 28 H 4.2874 8.2621 116.1237 58.8837 28.6854 177.4359 29 E 3.9883 8.4622 121.2537 59.3139 29.3957 178.1472 30 Y 4.3376 8.5057 119.7677 60.8337 38.8234 177.8729 31 A 3.8156 8.2534 121.7577 55.1863 18.4723 179.3909 32 Q 3.8835 8.2082 117.9253 59.3015 29.2907 178.7202 33 K 4.0321 8.2182 119.4929 59.5032 32.0612 179.4443 34 L 4.0959 8.3199 119.8004 57.4912 41.4119 179.7812 35 G 3.5977 8.2417 106.0954 47.8855 0.0000 175.7244 36 L 4.0688 7.9801 121.7067 57.4070 41.3668 179.2206 37 N 4.3204 7.9868 116.6495 56.6787 38.9123 176.8214 38 Q 3.9759 8.3925 121.3165 59.3040 29.0832 178.0798 39 Q 4.1726 8.6421 119.3335 58.8935 28.6891 178.7691 40 A 4.0132 8.1231 121.9460 55.1842 18.5520 179.5193 41 I 3.9594 7.6709 117.0175 64.0542 38.0803 177.9629 42 E 4.1415 8.5059 119.7940 59.4851 29.0483 179.2907 43 Q 4.0470 8.3152 117.5593 58.7815 29.0845 178.1000 44 F 4.1788 8.3984 121.7232 61.5412 39.4664 177.3201 45 F 3.6904 8.4657 116.8906 60.2217 38.7319 177.8720 46 R 4.3435 8.0171 118.8155 58.2055 29.5524 178.6603 47 E 3.8588 7.4194 117.4079 58.9245 29.3681 178.6864 48 F 4.4478 7.3944 116.4502 58.3547 39.5647 175.5932 49 E 4.1578 7.8450 122.5039 56.2681 30.0228 177.6818 50 Q 4.2123 8.8063 120.3943 55.5841 28.0349 174.4129 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 5 S 8.19 4.44 0.00 3.87 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 6 E 8.04 3.84 0.00 2.10 1.98 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 2.40 2.37 0.00 7 E 8.28 3.94 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 8 V 7.85 3.64 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 1.03 0.00 0.00 0.92 0.00 0.00 9 E 8.12 4.00 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 10 R 8.26 4.20 0.00 1.86 2.02 0.00 3.10 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 K 8.00 4.05 0.00 2.03 1.91 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 12 L 8.28 4.15 0.00 1.96 1.77 0.83 1.10 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 13 K 8.12 3.95 0.00 2.03 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.62 7.81 14 E 8.24 3.95 0.00 2.15 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 0.00 2.34 2.40 0.00 15 F 8.31 4.18 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.20 2.22 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 0.90 0.00 0.00 1.07 0.00 0.00 17 R 8.18 3.84 0.00 2.02 2.02 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 18 R 8.29 3.86 0.00 1.96 1.92 0.00 3.33 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 19 H 8.07 3.92 0.00 2.78 3.00 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.12 3.87 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 21 E 8.36 3.86 0.00 2.03 2.03 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 2.28 2.33 0.00 22 I 7.92 3.64 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.84 0.00 0.00 23 T 7.83 3.77 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 1.16 0.00 0.00 24 Q 8.25 3.82 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 25 E 8.50 3.98 0.00 2.01 1.98 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 2.49 2.49 0.00 26 T 7.99 3.85 4.39 0.00 0.00 0.00 0.00 0.00 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 27 L 8.12 4.08 0.00 1.84 1.79 1.02 1.36 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 28 H 8.26 4.29 0.00 3.40 3.32 0.00 5.69 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 29 E 8.46 3.99 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 30 Y 8.51 4.34 0.00 3.08 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 31 A 8.25 3.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 3.88 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 33 K 8.22 4.03 0.00 2.07 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.67 7.81 34 L 8.32 4.10 0.00 1.46 1.58 0.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.07 0.00 1.89 1.74 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.99 4.32 0.00 2.83 2.98 0.00 0.00 6.84 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 38 Q 8.39 3.98 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 39 Q 8.64 4.17 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 40 A 8.12 4.01 1.41 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 0.00 0.00 0.00 41 I 7.67 3.96 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 1.01 0.00 0.00 42 E 8.51 4.14 0.00 2.24 2.04 0.00 0.00 0.00 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 2.50 0.00 43 Q 8.32 4.05 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 44 F 8.40 4.18 0.00 3.15 3.38 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 45 F 8.47 3.69 0.00 3.30 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 46 R 8.02 4.34 0.00 2.01 1.98 0.00 3.16 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 47 E 7.42 3.86 0.00 1.24 1.61 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 0.00 2.16 2.38 0.00 48 F 7.39 4.45 0.00 3.11 2.97 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 49 E 7.84 4.16 0.00 2.17 1.88 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 2.38 2.39 0.00 50 Q 8.81 4.21 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00