NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2581 8.0333 117.3227 63.7721 71.0076 172.8812 2 M 4.5229 9.1523 125.1204 54.1879 32.3724 173.3685 3 C 5.1118 9.3813 122.6576 54.8138 44.5526 172.7275 4 Y 5.0272 8.5636 117.8085 58.3116 38.7681 175.6965 5 S 4.7329 8.6010 115.7854 57.6486 66.1206 172.8050 6 H 4.9999 8.3840 121.4894 56.1853 32.2626 171.9491 7 T 5.0419 8.4765 108.7980 60.3393 71.0707 173.4979 8 T 4.0604 8.7363 116.7208 66.7612 68.5412 175.4719 9 T 4.5778 7.5143 109.3950 61.0187 68.9811 173.6010 10 S 4.7156 7.7197 114.9733 57.4841 66.3687 172.7183 11 R 4.5542 8.1560 118.7108 54.5288 31.7069 176.5358 12 A 4.6432 8.3027 123.3308 52.2010 19.3154 177.1101 13 I 4.8052 8.8522 114.3816 58.9906 41.4245 174.7008 14 L 4.6415 8.6339 124.5610 55.4617 42.4639 176.2290 15 T 4.5876 8.8898 116.4703 60.6453 71.5235 172.5140 16 N 4.6577 8.6989 126.3140 53.1490 38.2595 175.2215 17 C 4.3397 9.5924 125.8410 56.8067 40.8509 176.3409 18 G 3.7501 8.0658 106.6591 46.5156 0.0000 175.2030 19 E 4.0363 9.0037 121.7061 58.9913 29.4925 176.8085 20 N 4.4559 8.0072 114.3701 53.0937 37.9866 173.8537 21 S 4.7549 8.1856 112.3144 57.7781 66.6588 172.8304 22 C 5.6802 9.1158 116.6848 56.0790 39.0615 172.4591 23 Y 5.4401 8.4631 116.3058 56.0923 41.7298 174.5261 24 R 4.5072 8.9844 120.5140 54.5231 32.4599 173.0056 25 K 4.9794 9.5801 128.4442 55.6778 33.8155 175.5556 26 S 4.9431 8.8473 120.5869 56.7793 67.2000 173.0457 27 R 4.2477 8.9466 121.8235 56.5537 30.2099 176.7155 28 R 3.9661 9.8265 129.0308 59.7595 30.1351 176.4782 29 H 4.8975 7.9274 114.6411 53.4644 30.2205 173.4771 30 P 4.4946 0.0000 0.0000 62.0346 31.6784 174.5375 31 P 4.2502 0.0000 0.0000 63.0408 32.0938 177.7652 32 K 4.6084 8.2629 125.7812 54.8814 31.1264 176.9801 33 M 4.1893 7.5221 120.0800 55.5807 33.8857 177.4576 34 V 4.2347 8.2469 122.5813 62.5313 31.9444 175.5575 35 L 4.5211 9.1661 127.6911 53.9659 42.8191 177.1490 36 G 4.5120 7.1063 115.0740 45.3598 0.0000 171.4087 37 R 4.4706 6.6262 120.5402 54.3179 34.6626 175.5755 38 G 3.8719 6.2168 105.3572 46.7438 0.0000 171.5877 39 C 5.1455 9.1624 117.4183 56.9591 42.1105 174.3589 40 G 3.8195 9.9098 107.9685 44.9792 0.0000 173.1518 41 C 4.8484 7.9581 115.8181 54.0636 43.6552 171.5726 42 P 4.5226 0.0000 0.0000 60.5138 32.2619 175.4667 43 P 4.3890 0.0000 0.0000 62.9425 32.4246 176.8859 44 G 4.2092 7.8925 109.9687 45.7304 0.0000 170.2010 45 D 4.4494 8.5081 118.6898 54.3354 44.9452 176.2747 46 D 4.2887 9.3095 118.6941 57.8807 40.7701 177.5682 47 N 4.5157 8.1106 115.6706 55.1088 40.4224 175.1674 48 L 4.8172 7.4162 118.3202 53.4912 43.5048 175.5128 49 E 4.8015 9.1946 126.2606 54.4426 31.6234 174.4668 50 V 4.8494 8.4542 126.9152 61.1375 33.7312 174.5524 51 K 4.5998 8.8221 127.8382 55.1082 33.9494 174.8983 52 C 5.9716 9.0755 122.6285 55.4866 40.0640 171.6949 53 C 5.0458 8.4241 114.8071 55.2934 44.8564 173.9372 54 T 4.3783 8.3970 106.3075 63.6420 71.5840 175.6662 55 S 4.2269 8.3263 117.1598 60.7619 63.2850 173.9052 56 P 4.0559 0.0000 0.0000 64.7759 31.1344 172.2475 57 D 4.3605 8.2107 124.6810 54.6240 39.9321 172.8647 58 K 3.7052 8.2478 127.6864 57.4516 31.0916 174.6039 59 C 4.5600 8.0955 113.1266 56.6566 42.3667 174.1186 60 N 4.7073 8.1360 116.7529 53.2732 36.9050 174.2915 61 Y 4.2573 8.0111 125.6108 58.5623 38.8487 175.0384 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 T 8.03 4.26 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 1.28 0.00 0.00 2 M 9.15 4.52 0.00 1.83 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 3 C 9.38 5.11 0.00 2.81 2.91 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 4 Y 8.56 5.03 0.00 3.03 2.79 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 5 S 8.60 4.73 0.00 3.85 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 6 H 8.38 5.00 0.00 3.24 3.49 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.48 5.04 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 8 T 8.74 4.06 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 1.22 0.00 0.00 9 T 7.51 4.58 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 1.21 0.00 0.00 10 S 7.72 4.72 0.00 3.94 3.86 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 11 R 8.16 4.55 0.00 1.70 1.86 0.00 3.19 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 12 A 8.30 4.64 1.12 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 0.00 0.00 13 I 8.85 4.81 1.92 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 1.49 0.77 1.01 0.00 0.00 14 L 8.63 4.64 0.00 1.55 1.60 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.89 4.59 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 1.27 0.00 0.00 16 N 8.70 4.66 0.00 2.76 2.74 0.00 0.00 7.08 7.65 0.00 0.00 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 C 9.59 4.34 0.00 2.97 3.14 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 0.00 0.00 0.00 0.00 18 G 8.07 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 0.00 0.00 0.00 19 E 9.00 4.04 0.00 1.97 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 2.31 2.24 0.00 20 N 8.01 4.46 0.00 2.86 2.89 0.00 0.00 6.00 7.64 0.00 0.00 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 S 8.19 4.75 0.00 4.19 4.10 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 22 C 9.12 5.68 0.00 2.82 3.04 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 0.00 0.00 0.00 23 Y 8.46 5.44 0.00 2.97 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 24 R 8.98 4.51 0.00 2.04 1.85 0.00 3.25 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 25 K 9.58 4.98 0.00 2.06 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 26 S 8.85 4.94 0.00 4.05 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 27 R 8.95 4.25 0.00 1.89 2.02 0.00 3.05 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 28 R 9.83 3.97 0.00 1.69 1.86 0.00 3.22 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 29 H 7.93 4.90 0.00 3.17 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.49 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 31 P 0.00 4.25 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 32 K 8.26 4.61 0.00 1.74 1.78 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.74 1.50 7.81 33 M 7.52 4.19 0.00 1.92 1.98 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 2.68 2.48 0.00 34 V 8.25 4.23 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 0.85 0.00 0.00 0.85 0.00 0.00 35 L 9.17 4.52 0.00 1.59 1.72 0.95 0.76 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 36 G 7.11 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.63 4.47 0.00 1.29 1.63 0.00 3.13 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.00 38 G 6.22 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 0.00 0.00 0.00 39 C 9.16 5.15 0.00 2.94 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 40 G 9.91 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 0.00 0.00 0.00 41 C 7.96 4.85 0.00 2.91 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 42 P 0.00 4.52 0.00 1.93 1.66 0.00 3.55 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 0.00 43 P 0.00 4.39 0.00 2.16 2.06 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 44 G 7.89 4.21 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 0.00 0.00 0.00 45 D 8.51 4.45 0.00 2.55 2.48 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 46 D 9.31 4.29 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.52 0.00 2.62 2.82 0.00 0.00 7.05 6.74 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 48 L 7.42 4.82 0.00 1.63 1.58 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.19 4.80 0.00 2.01 1.80 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 2.23 2.24 0.00 50 V 8.45 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 0.94 0.00 0.00 0.98 0.00 0.00 51 K 8.82 4.60 0.00 1.81 1.75 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 52 C 9.08 5.97 0.00 2.89 3.11 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 53 C 8.42 5.05 0.00 2.97 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 54 T 8.40 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 S 8.33 4.23 0.00 3.88 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 56 P 0.00 4.06 0.00 2.04 2.13 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 57 D 8.21 4.36 0.00 2.79 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 58 K 8.25 3.71 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 0.37 7.81 59 C 8.10 4.56 0.00 3.18 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 60 N 8.14 4.71 0.00 2.92 2.96 0.00 0.00 6.01 7.55 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 61 Y 8.01 4.26 0.00 3.49 2.96 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 0.00 0.00 0.00