NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9336 8.3549 109.7365 45.3000 0.0000 174.8245 3 K 3.8886 7.8454 118.2119 55.3122 32.7719 170.9199 4 V 4.5193 8.6230 122.0465 61.5283 35.8008 173.5003 5 Y 5.1390 8.8897 124.0901 56.1452 41.3324 174.6646 6 K 4.5216 8.4320 121.2435 54.5154 35.8307 174.9072 7 K 5.0356 8.5343 124.6777 54.6521 34.9714 175.7893 8 V 4.6060 8.5925 116.6156 59.5171 35.7581 173.9847 9 E 5.0268 8.7548 123.9035 54.7444 31.0103 174.8535 10 L 4.9099 9.0136 126.0728 52.8634 46.5113 175.8108 11 V 4.5947 8.2577 119.0980 61.2737 33.5204 174.8744 12 G 4.4795 9.0368 116.2248 45.0007 0.0000 171.4708 13 T 5.7540 7.8436 111.6016 58.9884 72.2018 172.8771 14 S 4.6347 8.2142 113.6053 58.3561 65.3150 176.2585 15 E 4.6180 9.1160 123.4582 57.0127 30.2196 177.5479 16 E 4.1209 8.4766 119.1945 57.2292 30.0298 176.8326 17 G 3.2424 7.2657 104.1905 44.2716 0.0000 173.1143 18 L 3.7327 7.2411 118.1482 57.9673 41.4698 179.3824 19 E 3.8843 8.0817 117.5513 59.5037 29.3562 179.2999 20 A 3.9126 7.8443 119.8722 55.1251 18.6588 179.3705 21 A 3.9877 7.9733 119.2866 55.2106 18.3724 180.0548 22 I 3.5180 7.6897 118.3986 64.5322 37.0947 178.6042 23 Q 3.8393 8.0990 118.6988 58.8085 28.6490 178.5033 24 A 3.9189 8.3035 121.9599 55.3914 18.3511 179.6283 25 A 3.9052 7.8099 118.4380 55.2526 18.5537 179.7368 26 L 3.8508 7.9951 117.3673 57.6021 41.4231 179.4286 27 A 3.9414 8.4473 120.5749 55.3963 18.5687 179.4800 28 R 3.9156 7.9036 116.5425 59.2944 30.1051 178.5127 29 A 3.8977 7.8804 120.8908 55.0420 18.1593 179.5178 30 R 3.8531 7.8387 115.9196 59.0582 30.1109 178.5250 31 K 4.1644 7.6925 117.8050 58.4989 32.1669 177.5558 32 T 4.5090 7.7092 105.2548 60.5381 70.3204 173.4626 33 L 4.4581 7.7312 122.1672 52.8317 44.1034 175.9435 34 R 4.4602 8.0516 120.8825 55.7601 32.6743 175.2537 35 H 4.2046 8.5316 114.2501 56.8421 25.9595 175.3760 36 L 4.4593 8.1193 118.7019 55.4282 42.2379 175.7278 37 D 5.1605 9.3025 123.1855 55.1980 42.7756 175.8365 38 W 5.5636 7.8037 113.3013 55.1117 32.0953 172.6774 39 F 5.3873 8.3678 113.9553 55.3215 40.8223 173.7222 40 E 4.7584 9.2965 119.9593 54.5912 32.9590 175.1034 41 V 4.2158 8.6538 124.7624 62.7927 31.7052 175.4282 42 K 4.4425 9.2020 128.2628 58.3590 33.3741 176.8444 43 E 4.8661 7.9070 116.7165 54.9766 34.5540 174.4976 44 I 5.0998 8.2579 121.4931 59.9764 40.7657 174.8933 45 R 4.5668 8.9546 123.6136 56.7789 33.0428 173.6566 46 G 4.2450 7.9778 105.8312 47.0717 0.0000 172.2741 47 T 4.7643 7.8617 109.8738 59.9570 71.6136 173.5255 48 I 4.7401 8.2624 123.4855 59.8184 39.6209 175.2505 49 G 4.3005 9.0976 116.7978 43.4244 0.0000 172.6970 50 E 3.8148 8.9014 118.4783 58.7946 29.5707 177.9001 51 A 4.5758 7.7065 118.5935 51.8048 20.4587 176.0465 52 G 4.0617 7.4026 104.7595 44.2480 0.0000 177.3394 53 V 3.7856 8.3638 125.5918 62.8162 31.4095 174.6777 54 K 4.1954 8.8175 130.1211 58.1499 32.5505 175.9527 55 E 4.7941 7.9428 119.6787 54.5148 33.1603 173.5478 56 Y 4.7189 9.4966 125.0918 57.6704 39.9398 174.5983 57 Q 4.8540 9.5152 121.8096 54.2623 32.8327 174.3675 58 V 4.7176 8.7727 125.1048 60.9879 33.9715 174.5444 59 V 4.5767 8.4127 129.5689 62.3322 32.5669 174.8669 60 L 5.2540 9.0790 127.2181 54.5387 44.5658 174.4273 61 E 5.0872 9.3419 119.7590 54.7233 32.3442 175.2177 62 V 4.4719 8.8006 124.2565 61.1111 33.9081 174.4423 63 G 2.8614 8.2275 116.3703 44.3464 0.0000 172.2547 64 F 5.6471 8.1393 117.4061 55.0427 41.8388 173.4909 65 R 4.1471 8.8209 121.6183 56.2042 30.5713 175.7366 66 L 4.7135 8.3487 126.2972 53.4847 43.2718 176.4672 67 E 4.1926 8.6822 121.9993 55.7896 30.3726 176.9122 68 E 4.1243 8.7304 121.2857 56.8452 29.4629 176.8841 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 2 G 8.35 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 3 K 7.85 3.89 0.00 1.83 1.48 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.62 4.52 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 1.11 0.00 0.00 0.96 0.00 0.00 5 Y 8.89 5.14 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.52 0.00 1.49 0.74 0.00 1.61 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.09 1.27 7.81 7 K 8.53 5.04 0.00 1.61 1.59 0.00 2.04 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.10 1.41 7.81 8 V 8.59 4.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.07 0.00 0.00 9 E 8.75 5.03 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 10 L 9.01 4.91 0.00 1.55 1.48 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.26 4.59 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 9.04 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 5.75 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 14 S 8.21 4.63 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 4.62 0.00 2.03 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 2.34 0.00 16 E 8.48 4.12 0.00 1.97 1.99 0.00 0.00 0.00 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 2.27 0.00 17 G 7.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.24 3.73 0.00 1.55 1.64 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.88 0.00 1.98 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 0.00 2.39 2.43 0.00 20 A 7.84 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.99 1.45 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 0.00 0.00 22 I 7.69 3.52 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.26 0.00 0.00 23 Q 8.10 3.84 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 24 A 8.30 3.92 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.81 3.91 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 26 L 8.00 3.85 0.00 1.75 1.65 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.45 3.94 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 28 R 7.90 3.92 0.00 1.94 1.89 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.88 3.90 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 30 R 7.84 3.85 0.00 1.94 2.07 0.00 3.24 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.69 4.16 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 32 T 7.71 4.51 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 1.16 0.00 0.00 33 L 7.73 4.46 0.00 1.37 0.75 0.39 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.05 4.46 0.00 1.69 1.57 0.00 3.29 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 35 H 8.53 4.20 0.00 3.65 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.46 0.00 1.69 1.68 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.30 5.16 0.00 3.07 3.33 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 38 W 7.80 5.56 0.00 3.30 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 5.39 0.00 3.01 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 40 E 9.30 4.76 0.00 1.99 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 2.35 2.53 0.00 41 V 8.65 4.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.14 0.00 0.00 42 K 9.20 4.44 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.49 7.81 43 E 7.91 4.87 0.00 1.89 1.79 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 2.32 2.36 0.00 44 I 8.26 5.10 1.92 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 1.44 0.64 1.00 0.00 0.00 45 R 8.95 4.57 0.00 1.80 2.03 0.00 2.87 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 46 G 7.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.76 4.20 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 1.18 0.00 0.00 48 I 8.26 4.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.92 0.00 0.00 49 G 9.10 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 0.00 0.00 0.00 0.00 50 E 8.90 3.81 0.00 1.93 1.99 0.00 0.00 0.00 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 51 A 7.71 4.58 1.26 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 52 G 7.40 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.36 3.79 1.79 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 -0.23 0.00 0.00 0.70 0.00 0.00 54 K 8.82 4.20 0.00 1.77 1.72 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.34 7.81 55 E 7.94 4.79 0.00 1.95 1.67 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 0.00 2.19 2.27 0.00 56 Y 9.50 4.72 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.52 4.85 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 58 V 8.77 4.72 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 0.96 0.00 0.00 0.95 0.00 0.00 59 V 8.41 4.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 60 L 9.08 5.25 0.00 1.97 1.75 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.34 5.09 0.00 1.91 1.85 0.00 0.00 0.00 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 2.26 0.00 62 V 8.80 4.47 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 0.96 0.00 0.00 0.91 0.00 0.00 63 G 8.23 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 5.65 0.00 3.40 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 65 R 8.82 4.15 0.00 1.85 1.88 0.00 3.06 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.00 66 L 8.35 4.71 0.00 1.62 1.57 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.68 4.19 0.00 1.99 1.90 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 2.39 2.32 0.00 68 E 8.73 4.12 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00