NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2529 8.3049 120.3261 54.4816 34.0732 174.9511 2 K 3.4823 7.9625 124.7407 56.2588 28.9738 173.7030 3 G 3.5462 8.6375 114.0979 47.7011 0.0000 172.4709 4 M 3.1338 8.2181 115.8411 55.9242 30.7213 176.4226 5 S 4.4102 7.3255 111.7171 57.6276 63.8318 173.9082 6 K 4.3035 8.1151 120.0531 56.5592 33.1234 176.7291 7 M 4.4292 8.2497 117.5099 54.0109 32.9636 173.9560 8 P 4.4546 0.0000 0.0000 62.4871 32.3869 177.6261 9 Q 4.0783 8.6153 119.0508 58.6208 28.9584 178.6788 10 F 4.0554 8.1789 119.4267 60.6614 39.6609 175.3162 11 L 3.5956 7.7181 119.5307 54.2925 41.2928 178.0701 12 N 4.3050 7.5346 119.9033 56.1375 38.9412 176.1219 13 R 4.2046 7.7646 116.5258 57.4279 30.6726 176.4233 14 W 4.3255 7.7008 118.1055 55.8664 29.9145 174.8425 15 P 4.6054 0.0000 0.0000 62.3719 33.1202 177.5897 16 R 3.9648 8.4257 117.8258 59.6124 29.7789 178.2435 17 E 4.0066 8.1858 118.0307 59.1743 29.4259 179.3236 18 V 3.6941 7.6718 117.6848 65.8301 31.5522 178.0340 19 L 4.2430 7.9885 118.1671 57.6802 41.1865 178.8982 20 D 4.3916 8.0961 117.3048 56.4590 41.2479 177.3992 21 L 4.2517 7.2688 118.0072 57.4000 42.3976 178.3373 22 V 3.6817 7.7705 118.2699 66.3334 31.3589 177.8857 23 R 3.9071 7.7089 116.9690 59.5926 29.8106 179.1446 24 K 3.9692 8.1034 116.3266 59.3210 32.3826 178.9335 25 V 3.8268 7.5414 118.6088 65.4833 31.5553 177.9162 26 A 4.2769 8.0181 121.0823 54.4971 18.3895 178.7344 27 E 4.3005 7.8865 113.0043 57.7898 30.1202 177.8258 28 E 4.2653 7.9004 118.3213 58.9452 30.0468 177.7901 29 N 4.3910 8.0718 114.3986 55.2265 38.7120 175.9376 30 G 4.2919 8.6553 106.0357 45.8087 0.0000 173.3462 31 R 4.5351 7.7159 120.2347 54.4848 32.7987 174.8063 32 S 4.7649 8.3091 115.8785 57.7385 66.9297 174.7165 33 V 3.7527 8.0684 120.5930 65.7870 30.6844 177.1527 34 N 4.3857 8.0880 116.4840 56.1909 38.7493 176.5657 35 S 4.4484 7.9679 115.9080 60.5807 63.0223 175.9884 36 E 4.0086 8.2466 122.4875 59.3830 29.4495 178.9053 37 I 3.9969 7.8908 119.8263 64.3954 37.0966 177.7798 38 Y 4.3162 7.7964 119.7460 60.7360 38.5827 178.1985 39 Q 3.7444 8.0051 119.0562 58.9485 28.6545 178.7394 40 R 3.9589 8.0330 118.8779 58.8306 29.9880 178.8614 41 V 3.6546 7.6800 117.6381 65.1106 31.4699 177.7318 42 M 4.1660 7.5714 117.6702 57.7490 31.5454 177.8795 43 E 4.1993 8.1017 119.0014 58.4174 29.7333 179.1805 44 S 3.9942 7.3649 114.5991 61.5797 63.2758 176.7019 45 F 4.4865 7.3052 121.0590 59.5594 38.7141 177.4412 46 K 4.1165 7.8063 118.5510 58.9336 31.7427 178.7536 47 K 4.0505 7.7909 118.2196 58.7565 31.9124 177.8286 48 E 4.5754 7.5436 116.2107 57.0100 30.9840 176.6710 49 G 4.3289 7.7849 107.1618 46.1245 0.0000 175.7504 50 R 4.0478 8.4559 120.3736 58.2347 30.4794 177.2312 51 I 4.4408 7.5968 109.4048 59.2136 39.5923 174.9448 52 G 3.9333 8.7154 109.9806 46.6380 0.0000 172.9931 53 A 4.1948 7.6838 126.0533 52.1346 19.2841 175.4978 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 4.25 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 7.96 3.48 0.00 1.95 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 G 8.64 3.55 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 0.00 0.00 0.00 4 M 8.22 3.13 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 5 S 7.33 4.41 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.12 4.30 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 7 M 8.25 4.43 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 8 P 0.00 4.45 0.00 2.24 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 9 Q 8.62 4.08 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 10 F 8.18 4.06 0.00 2.92 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 11 L 7.72 3.60 0.00 1.65 1.22 0.67 -1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.53 4.30 0.00 2.76 2.81 0.00 0.00 6.98 8.27 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 13 R 7.76 4.20 0.00 1.78 2.05 0.00 3.34 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 14 W 7.70 4.33 0.00 3.43 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.27 2.18 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 16 R 8.43 3.96 0.00 1.92 1.98 0.00 3.20 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 17 E 8.19 4.01 0.00 2.05 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 2.38 0.00 18 V 7.67 3.69 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 0.98 0.00 0.00 0.83 0.00 0.00 19 L 7.99 4.24 0.00 1.86 1.79 1.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.10 4.39 0.00 2.82 2.73 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 21 L 7.27 4.25 0.00 1.89 1.84 0.93 0.80 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 22 V 7.77 3.68 2.32 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 1.03 0.00 0.00 1.21 0.00 0.00 23 R 7.71 3.91 0.00 1.92 1.99 0.00 3.21 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 24 K 8.10 3.97 0.00 1.84 1.91 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.47 7.81 25 V 7.54 3.83 2.33 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 1.21 0.00 0.00 0.99 0.00 0.00 26 A 8.02 4.28 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 27 E 7.89 4.30 0.00 1.98 2.02 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 2.34 2.43 0.00 28 E 7.90 4.27 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 29 N 8.07 4.39 0.00 2.89 2.90 0.00 0.00 7.30 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.66 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 0.00 0.00 0.00 0.00 31 R 7.72 4.54 0.00 1.80 1.82 0.00 3.18 0.00 0.00 3.27 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 32 S 8.31 4.76 0.00 3.84 3.77 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 33 V 8.07 3.75 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.94 0.00 0.00 34 N 8.09 4.39 0.00 2.82 2.74 0.00 0.00 7.13 7.49 0.00 0.00 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 S 7.97 4.45 0.00 3.93 3.95 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 0.00 0.00 0.00 36 E 8.25 4.01 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 37 I 7.89 4.00 1.95 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 1.15 0.00 0.00 38 Y 7.80 4.32 0.00 3.21 3.21 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 39 Q 8.01 3.74 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 40 R 8.03 3.96 0.00 2.04 2.00 0.00 3.32 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 41 V 7.68 3.65 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.10 0.00 0.00 42 M 7.57 4.17 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.41 0.00 43 E 8.10 4.20 0.00 1.98 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 2.28 2.40 0.00 44 S 7.36 3.99 0.00 3.60 3.88 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 45 F 7.31 4.49 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.12 0.00 2.04 2.00 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 47 K 7.79 4.05 0.00 2.01 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.60 7.81 48 E 7.54 4.58 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 49 G 7.78 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 0.00 0.00 0.00 0.00 50 R 8.46 4.05 0.00 2.04 1.92 0.00 3.26 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 I 7.60 4.44 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.84 0.00 0.00 52 G 8.72 3.93 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 0.00 0.00 0.00 53 A 7.68 4.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00