NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5260 8.3193 115.2980 58.4035 63.6315 174.2129 16 E 4.5349 8.5619 125.2343 54.1423 29.7138 173.8710 17 L 4.8051 8.5128 130.6645 54.6315 43.7974 178.0826 18 L 4.1869 7.5186 117.3645 54.2980 42.7930 177.2465 19 C 4.3157 8.9977 121.3903 59.7234 31.8711 175.0800 20 K 3.9824 8.3952 127.3954 58.8711 31.8344 177.5861 21 K 4.3429 8.2686 115.9843 56.0422 32.3019 176.7759 22 G 3.9839 8.1455 107.1882 46.6329 0.0000 175.1300 23 C 4.2826 8.2508 116.0137 58.9759 30.1478 174.0362 24 G 3.9665 8.4128 107.7117 45.5894 0.0000 173.3868 25 Y 4.3905 7.9877 116.8433 57.4590 39.8377 174.1982 26 Y 4.4953 8.8337 118.5909 57.7999 38.7611 176.1110 27 G 4.1056 8.7314 111.1319 45.7491 0.0000 172.2869 28 N 4.7859 8.9684 120.6648 50.9510 40.0387 174.2098 29 P 4.1017 0.0000 0.0000 65.5249 31.6893 177.5974 30 A 3.9861 7.5247 119.7503 53.9737 18.7249 177.4321 31 W 3.7894 7.2958 115.5925 56.9890 29.5867 176.3101 32 Q 3.5407 9.3601 113.1529 56.9626 26.1322 175.1137 33 G 3.8329 8.6124 105.1394 45.1665 0.0000 173.9716 34 F 5.2254 8.1134 118.8517 56.0062 40.8360 175.5125 35 C 5.0679 8.6809 119.1992 57.4195 31.9322 174.8017 36 S 3.5726 8.8863 115.3773 61.6659 62.1882 176.6207 37 K 3.8481 7.9563 122.1984 59.1044 31.8544 179.0542 38 C 4.1073 8.0738 116.3785 62.2720 28.0602 175.7416 39 W 3.8616 8.4876 130.3635 60.4135 30.3194 177.9955 40 R 3.5251 8.0800 118.8894 59.1573 29.4950 177.9866 41 E 3.8289 8.2168 119.3101 59.3602 29.5611 178.6036 42 E 3.7014 7.8404 118.5384 59.3747 29.3614 178.7597 43 Y 3.7083 7.4427 119.4459 60.8764 38.7289 177.8587 44 H 3.9342 7.9079 116.9740 58.7712 28.8274 178.0071 45 K 3.8594 7.9904 119.9896 59.2845 31.8726 179.3096 46 A 3.9016 8.0286 121.2567 55.0440 18.2904 179.8486 47 R 3.6587 7.7725 116.5405 59.5320 30.1800 179.1036 48 Q 3.9151 8.1381 118.0708 58.9165 28.7229 179.2504 49 K 3.9054 8.0199 120.5542 59.5382 32.2221 178.9283 50 Q 3.9981 7.9720 117.9519 59.1388 28.5732 178.0749 51 I 3.6847 8.1588 122.2122 64.5241 37.2199 178.2131 52 Q 4.0273 8.0933 118.3300 59.2300 28.5918 179.0222 53 E 4.0740 8.3496 119.4747 59.4696 29.4953 179.1582 54 D 4.4389 8.6252 119.4603 56.6824 40.7289 178.6174 55 W 4.0322 8.4123 129.1622 60.4693 30.7579 177.6552 56 E 4.0544 8.3910 118.6066 59.5025 28.8812 179.1503 57 L 3.8919 8.0006 119.8034 58.1066 42.1747 178.7523 58 A 3.8440 7.8990 120.5277 55.2073 18.2222 179.2736 59 E 3.6336 7.9697 117.2488 59.5728 29.5412 179.6048 60 R 3.8378 7.9857 118.4748 59.4384 30.0792 178.5271 61 L 3.9322 8.1013 119.0869 57.6953 41.5363 179.1008 62 Q 3.8729 8.4172 119.8069 59.5031 28.7770 178.8971 63 R 3.8896 8.1185 118.9111 59.0521 30.0839 178.7248 64 E 3.9464 8.2325 119.3946 59.2295 29.5637 178.7077 65 E 3.9944 8.2728 118.7596 59.5297 29.5205 179.2122 66 E 4.0100 8.4553 118.7484 59.2088 29.4293 179.0127 67 E 4.0187 8.0418 119.2493 59.0083 29.5583 178.5665 68 A 4.0552 7.8237 119.8740 54.9557 18.6947 179.1036 69 F 4.2633 8.6502 119.3963 61.1125 39.4566 177.2808 70 A 3.9592 7.9678 120.3536 55.1303 18.0182 179.2305 71 S 4.5136 7.6496 108.7751 59.2633 63.1015 173.8942 72 S 4.3965 7.8227 113.5145 58.4362 64.9933 173.6729 73 Q 3.8880 6.8298 125.7307 56.4321 28.9790 174.1867 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 15 S 8.32 4.53 0.00 3.88 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 16 E 8.56 4.53 0.00 2.09 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 2.17 2.47 0.00 17 L 8.51 4.81 0.00 1.89 1.74 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.52 4.19 0.00 1.53 1.48 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 19 C 9.00 4.32 0.00 3.14 2.95 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 20 K 8.40 3.98 0.00 1.54 1.35 0.00 1.60 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.30 7.81 21 K 8.27 4.34 0.00 1.99 1.96 0.00 2.04 0.00 0.00 1.88 0.00 0.00 3.30 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.97 1.61 7.81 22 G 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.25 4.28 0.00 3.25 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 24 G 8.41 3.97 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 0.00 0.00 0.00 25 Y 7.99 4.39 0.00 3.06 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 26 Y 8.83 4.50 0.00 2.94 2.93 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 27 G 8.73 4.11 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 0.00 0.00 0.00 28 N 8.97 4.79 0.00 2.50 2.34 0.00 0.00 7.46 7.30 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 29 P 0.00 4.10 0.00 1.95 2.03 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 30 A 7.52 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.30 3.79 0.00 3.40 2.30 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 32 Q 9.36 3.54 0.00 2.70 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 33 G 8.61 3.83 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 0.00 0.00 0.00 34 F 8.11 5.23 0.00 3.64 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 35 C 8.68 5.07 0.00 3.34 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 3.57 0.00 3.91 4.31 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 37 K 7.96 3.85 0.00 1.76 1.85 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 38 C 8.07 4.11 0.00 3.20 3.10 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 39 W 8.49 3.86 0.00 3.42 2.93 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 40 R 8.08 3.53 0.00 1.89 1.90 0.00 3.15 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 41 E 8.22 3.83 0.00 2.08 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 2.22 2.30 0.00 42 E 7.84 3.70 0.00 1.49 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.47 0.00 43 Y 7.44 3.71 0.00 2.16 2.67 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 0.00 0.00 0.00 44 H 7.91 3.93 0.00 3.27 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.99 3.86 0.00 1.82 1.76 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 A 8.03 3.90 1.24 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 47 R 7.77 3.66 0.00 1.76 1.77 0.00 2.21 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 48 Q 8.14 3.92 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 49 K 8.02 3.91 0.00 1.86 1.89 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.42 7.81 50 Q 7.97 4.00 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.70 0.00 51 I 8.16 3.68 1.95 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 1.59 1.08 0.90 0.00 0.00 52 Q 8.09 4.03 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 53 E 8.35 4.07 0.00 2.12 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 2.34 2.36 0.00 54 D 8.63 4.44 0.00 2.92 2.75 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 55 W 8.41 4.03 0.00 3.48 3.25 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 0.00 56 E 8.39 4.05 0.00 2.28 2.05 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 2.45 2.69 0.00 57 L 8.00 3.89 0.00 1.77 1.82 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.90 3.84 1.13 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 0.00 0.00 0.00 0.00 0.00 59 E 7.97 3.63 0.00 2.06 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 1.87 2.48 0.00 60 R 7.99 3.84 0.00 1.86 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 61 L 8.10 3.93 0.00 1.81 1.63 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.42 3.87 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 63 R 8.12 3.89 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 64 E 8.23 3.95 0.00 2.12 2.12 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 2.30 2.34 0.00 65 E 8.27 3.99 0.00 2.16 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 2.52 2.44 0.00 66 E 8.46 4.01 0.00 2.14 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 2.55 2.44 0.00 67 E 8.04 4.02 0.00 2.25 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 2.31 2.37 0.00 68 A 7.82 4.06 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 69 F 8.65 4.26 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 70 A 7.97 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.65 4.51 0.00 4.04 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 72 S 7.82 4.40 0.00 4.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 6.83 3.89 0.00 1.86 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.32 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00