NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4751 8.3049 120.3263 55.3098 31.4546 174.4168 2 K 4.3527 7.9531 128.7485 54.5180 34.2159 175.6738 3 S 4.1625 9.7184 115.5223 62.6072 63.3786 176.4719 4 I 3.8928 7.8783 118.9400 62.4889 37.2097 176.7219 5 G 3.9105 7.4843 106.3324 46.7292 0.0000 173.4700 6 V 4.4918 7.8252 111.5436 58.8417 34.3454 175.7086 7 V 4.5000 8.1947 122.0946 59.7896 33.8432 175.0944 8 R 4.6567 8.3696 120.4660 54.3138 32.9500 175.1455 9 K 4.4617 8.2909 120.2713 54.2615 33.6171 176.8165 10 V 3.6707 8.3245 123.6949 62.9444 31.2406 174.3759 11 D 4.2511 8.2049 125.5570 56.9225 41.6724 175.7793 12 E 4.9281 7.6878 118.8491 57.7138 37.4300 177.1819 13 L 4.0517 7.7815 117.5893 55.9836 41.7982 177.4810 14 G 3.9026 8.2853 104.4219 45.0864 0.0000 174.0291 15 R 4.0361 8.0982 121.1449 55.8945 30.4748 175.7908 16 I 4.7032 8.0226 115.5184 59.0796 40.8602 174.3733 17 V 4.2391 8.1151 119.5279 60.1480 31.8644 175.1843 18 M 4.3118 8.4105 125.0030 53.9236 32.9737 174.6853 19 P 4.6897 0.0000 0.0000 61.3583 33.3599 176.4060 20 I 3.5960 8.3738 118.2763 64.6018 37.4758 177.3536 21 E 3.8945 8.2624 118.7967 59.5061 29.2102 179.0033 22 L 4.0834 8.1561 120.4080 57.9636 42.1356 179.2392 23 R 3.9176 7.8144 117.6205 59.2264 29.9081 178.8904 24 R 3.8587 8.4622 116.6533 59.2481 30.2053 178.3494 25 A 4.1786 8.0954 119.3072 55.3873 18.4984 178.3855 26 L 4.1113 8.1999 115.9461 53.5935 42.6308 176.7084 27 D 5.3789 7.6122 129.5630 55.3172 43.8917 176.3613 28 I 4.5583 7.8402 120.2854 59.8096 39.5096 176.2077 29 A 4.5463 9.2799 125.9688 52.7436 21.1452 176.0867 30 I 4.3173 7.3721 121.6627 61.3696 40.2453 174.3037 31 K 4.4502 8.1163 116.1709 56.8855 36.3747 178.9827 32 D 4.1392 8.2142 113.8040 53.3297 40.7677 176.6035 33 S 5.3576 8.1144 119.2966 58.3734 66.6645 175.2871 34 I 5.0616 8.3341 125.2214 59.6644 40.5141 174.1286 35 E 4.1366 9.5534 128.8907 54.1793 31.8200 174.7173 36 F 5.8148 7.7729 124.4413 55.9929 42.1729 174.4065 37 F 5.0897 9.7123 123.5851 56.3702 42.7952 174.3356 38 V 4.8510 7.5247 122.2405 60.1023 33.8963 174.7174 39 D 4.7492 9.5812 126.1989 52.5067 41.1164 175.1525 40 G 4.2024 8.4515 114.9373 45.0811 0.0000 171.1851 41 D 4.9470 8.3498 115.9632 51.9004 41.0794 175.8074 42 K 4.7922 8.1838 119.8626 55.3552 35.9862 174.7781 43 I 5.2197 8.3983 124.0827 59.6323 40.5586 174.9855 44 I 4.8015 9.2891 125.2064 59.5968 40.9904 174.4711 45 L 5.6392 8.6836 125.0083 52.9941 45.1469 175.8090 46 K 4.7225 8.9153 120.3066 55.0404 36.5927 175.3524 47 K 5.3231 8.4926 121.7794 55.5153 32.8998 176.3618 48 Y 4.1064 8.7738 127.0844 60.7424 39.0840 177.2825 49 K 3.6271 8.3986 119.3962 59.0209 32.1949 174.9949 50 P 4.3827 0.0000 0.0000 63.8762 31.9155 174.6416 51 H 4.1664 9.0450 119.3482 56.1222 26.5098 175.7435 52 G 3.8753 7.2491 111.6424 45.8986 0.0000 174.4099 53 V 3.7762 7.3190 119.8786 60.2593 32.3717 175.9561 54 C 3.9997 8.5649 114.4509 58.7444 29.1380 173.9545 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 4.48 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 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 7.95 4.35 0.00 1.89 1.73 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 3 S 9.72 4.16 0.00 3.82 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 4 I 7.88 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.97 0.00 0.00 5 G 7.48 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.83 4.49 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 0.86 0.00 0.00 0.93 0.00 0.00 7 V 8.19 4.50 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 0.76 0.00 0.00 0.92 0.00 0.00 8 R 8.37 4.66 0.00 1.73 1.82 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 9 K 8.29 4.46 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 10 V 8.32 3.67 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 0.70 0.00 0.00 0.90 0.00 0.00 11 D 8.20 4.25 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.93 0.00 1.95 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 2.21 2.30 0.00 13 L 7.78 4.05 0.00 1.59 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.29 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 0.00 0.00 0.00 15 R 8.10 4.04 0.00 1.88 1.87 0.00 3.08 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 16 I 8.02 4.70 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.94 0.00 0.00 17 V 8.12 4.24 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 0.86 0.00 0.00 0.93 0.00 0.00 18 M 8.41 4.31 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 19 P 0.00 4.69 0.00 2.21 2.17 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 20 I 8.37 3.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.91 0.00 0.00 21 E 8.26 3.89 0.00 2.02 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 2.41 2.33 0.00 22 L 8.16 4.08 0.00 1.72 1.85 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.81 3.92 0.00 2.03 2.17 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 24 R 8.46 3.86 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 25 A 8.10 4.18 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 26 L 8.20 4.11 0.00 1.65 1.54 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.61 5.38 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 4.56 1.89 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 1.27 0.84 1.11 0.00 0.00 29 A 9.28 4.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 4.32 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.92 0.00 0.00 31 K 8.12 4.45 0.00 1.73 1.77 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.34 7.81 32 D 8.21 4.14 0.00 2.88 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 0.00 0.00 0.00 33 S 8.11 5.36 0.00 3.92 3.99 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 0.00 0.00 0.00 34 I 8.33 5.06 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 1.16 0.00 0.00 35 E 9.55 4.14 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 36 F 7.77 5.81 0.00 3.01 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 37 F 9.71 5.09 0.00 3.05 2.85 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 0.00 0.00 0.00 38 V 7.52 4.85 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 0.58 0.00 0.00 0.98 0.00 0.00 39 D 9.58 4.75 0.00 3.05 2.72 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 40 G 8.45 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 0.00 0.00 0.00 0.00 41 D 8.35 4.95 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.18 4.79 0.00 1.85 1.90 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 43 I 8.40 5.22 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.95 0.00 0.00 44 I 9.29 4.80 2.05 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 0.89 0.00 0.00 45 L 8.68 5.64 0.00 1.54 1.66 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.92 4.72 0.00 1.62 1.74 0.00 1.15 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.37 7.81 47 K 8.49 5.32 0.00 1.77 1.77 0.00 1.66 0.00 0.00 2.44 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.76 1.52 7.81 48 Y 8.77 4.11 0.00 3.02 2.94 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 0.00 0.00 0.00 49 K 8.40 3.63 0.00 1.80 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.53 7.81 50 P 0.00 4.38 0.00 2.28 2.06 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 51 H 9.05 4.17 0.00 3.24 3.61 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.25 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 0.00 0.00 0.00 53 V 7.32 3.78 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 0.91 0.00 0.00 0.93 0.00 0.00 54 C 8.56 4.00 0.00 3.21 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