NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.9785 7.7574 114.8151 58.2391 64.2503 173.3222 4 G 3.9171 8.0299 111.8485 44.7233 0.0000 170.6629 5 K 4.4678 7.8882 115.6637 57.5182 35.6280 175.5503 6 K 4.4535 7.7275 119.0834 55.7974 33.5970 174.4150 7 P 4.7241 0.0000 0.0000 63.3123 32.4100 175.3774 8 V 4.5216 8.7222 120.0233 60.7975 35.0043 174.7060 9 K 4.3219 8.8261 126.7085 56.7095 32.3663 176.3633 10 V 4.0802 9.0128 125.7076 60.5586 34.9918 174.0344 11 K 4.8425 8.4041 128.5103 55.2043 33.1581 176.3983 12 T 3.4871 8.5227 118.0529 60.0392 69.8881 173.8223 13 P 3.9609 0.0000 0.0000 65.7206 31.2901 177.9510 14 A 3.9261 7.1659 118.9845 53.6343 18.2339 178.1439 15 G 3.9293 8.1861 104.1876 44.6472 0.0000 173.2458 16 K 4.6457 7.8289 118.7489 54.0141 35.1231 175.4865 17 E 4.5618 8.7065 123.4738 56.4586 30.0850 176.0892 18 A 4.7512 9.4276 125.5308 50.2724 23.5441 174.5367 19 E 5.0936 8.7985 118.6472 54.7624 31.4307 175.7026 20 L 5.0334 8.6891 124.8652 52.6495 45.9473 176.2979 21 V 4.4750 8.5039 123.1878 60.0965 32.0281 174.2245 22 P 3.7216 0.0000 0.0000 62.5770 32.2022 177.1636 23 E 4.1622 8.9802 121.9165 58.8276 30.8172 176.9771 24 K 5.0118 7.7582 117.0015 54.8242 36.8267 175.9786 25 V 5.0271 8.4433 115.9156 59.7041 35.5627 174.6397 26 W 5.1247 8.4326 119.0929 55.6227 31.8545 172.9346 27 A 4.6950 8.7482 122.7987 51.1362 19.7222 177.0681 28 L 4.7686 9.5079 125.3546 53.1943 43.5838 174.6736 29 A 4.8713 8.2140 127.0546 49.5494 22.0684 174.3101 30 P 4.6106 0.0000 0.0000 61.4273 32.6644 175.7167 31 K 4.0812 8.3035 118.8024 57.9109 32.1056 177.9720 32 G 4.0293 9.4265 112.2205 45.2603 0.0000 173.1000 33 R 4.7194 7.2635 116.8304 53.7484 33.9584 175.3857 34 K 3.9421 8.8545 121.9757 57.8403 32.8466 178.4609 35 G 3.8789 8.0276 106.2888 45.4356 0.0000 171.9436 36 V 4.6000 8.2545 112.2799 59.8262 36.9562 174.4790 37 K 4.8465 8.4176 120.4159 55.0000 34.4830 175.7272 38 I 4.5498 8.4555 125.0060 59.1702 40.4568 174.6986 39 G 3.9524 8.6121 113.1742 44.0623 0.0000 171.7193 40 L 5.0408 8.4523 126.1242 53.6236 43.5692 175.3797 41 F 4.9822 9.2976 124.8600 55.3070 42.9272 174.0461 42 K 4.6651 8.3116 121.7128 54.3057 34.1692 174.9860 43 D 4.6039 9.5421 128.6596 53.9823 41.4090 175.3928 44 P 4.2577 0.0000 0.0000 65.4589 31.3312 177.4745 45 E 4.0721 7.4970 117.2032 59.3870 29.6960 178.3745 46 T 3.9397 7.6706 110.5911 62.7226 69.5144 176.0101 47 G 3.8681 8.4259 109.7008 45.3590 0.0000 173.2794 48 K 4.6347 7.5604 119.3759 55.4700 34.2676 175.4283 49 Y 5.2858 8.6857 119.7346 57.3866 39.7642 174.9218 50 F 5.1447 9.1684 116.0275 56.1878 41.6827 173.1514 51 R 5.2516 8.7477 118.8312 55.4678 32.2893 175.1921 52 H 4.8736 8.9734 120.4809 54.3061 33.8402 172.5749 53 K 4.2172 8.5729 125.7785 57.3301 32.4283 175.7682 54 L 4.7230 8.4505 126.7164 52.2168 44.0515 174.9016 55 P 4.4266 0.0000 0.0000 62.6552 31.9371 177.4875 56 D 4.4121 8.8175 121.2603 57.1592 40.8173 177.3133 57 D 4.7435 7.9274 115.5835 52.8765 39.8838 175.5933 58 Y 3.9304 7.8394 122.3431 57.0489 39.1616 173.5828 59 P 4.4053 0.0000 0.0000 62.4449 32.1576 176.4021 60 I 4.1462 8.3514 122.8157 61.4941 37.2726 175.5187 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 3 S 7.76 4.98 0.00 4.01 4.07 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 4 G 8.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.47 0.00 1.63 1.75 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.34 7.81 6 K 7.73 4.45 0.00 1.82 1.80 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 1.57 7.81 7 P 0.00 4.72 0.00 2.32 2.17 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 8 V 8.72 4.52 2.19 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 0.93 0.00 0.00 0.91 0.00 0.00 9 K 8.83 4.32 0.00 1.66 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.39 7.81 10 V 9.01 4.08 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.17 0.00 0.00 11 K 8.40 4.84 0.00 1.77 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.37 7.81 12 T 8.52 3.49 4.05 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 1.13 0.00 0.00 13 P 0.00 3.96 0.00 1.87 2.03 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 14 A 7.17 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.19 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 16 K 7.83 4.65 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.33 7.81 17 E 8.71 4.56 0.00 1.82 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 2.28 2.24 0.00 18 A 9.43 4.75 1.15 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 0.00 0.00 19 E 8.80 5.09 0.00 1.84 1.91 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 2.20 2.30 0.00 20 L 8.69 5.03 0.00 1.74 1.75 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.50 4.47 2.26 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 0.77 0.00 0.00 0.99 0.00 0.00 22 P 0.00 3.72 0.00 1.54 0.63 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.51 0.00 23 E 8.98 4.16 0.00 1.96 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 0.00 2.33 2.29 0.00 24 K 7.76 5.01 0.00 1.90 1.81 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 25 V 8.44 5.03 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 0.59 0.00 0.00 1.08 0.00 0.00 26 W 8.43 5.12 0.00 3.38 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 27 A 8.75 4.70 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 28 L 9.51 4.77 0.00 1.59 1.54 0.97 1.16 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 29 A 8.21 4.87 1.27 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 0.00 0.00 0.00 30 P 0.00 4.61 0.00 2.24 2.22 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 31 K 8.30 4.08 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 32 G 9.43 4.03 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 0.00 0.00 0.00 33 R 7.26 4.72 0.00 1.77 1.79 0.00 3.18 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 34 K 8.85 3.94 0.00 1.72 1.85 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 G 8.03 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 36 V 8.25 4.60 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 0.81 0.00 0.00 0.93 0.00 0.00 37 K 8.42 4.85 0.00 1.65 1.61 0.00 1.79 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 I 8.46 4.55 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.11 0.31 0.00 0.00 39 G 8.61 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 0.00 0.00 0.00 40 L 8.45 5.04 0.00 2.09 1.67 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.30 4.98 0.00 1.51 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 42 K 8.31 4.67 0.00 1.15 1.49 0.00 1.55 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 1.17 7.81 43 D 9.54 4.60 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 45 E 7.50 4.07 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 46 T 7.67 3.94 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 1.19 0.00 0.00 47 G 8.43 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 48 K 7.56 4.63 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 49 Y 8.69 5.29 0.00 2.91 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 50 F 9.17 5.14 0.00 3.13 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 51 R 8.75 5.25 0.00 1.82 1.92 0.00 3.37 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 52 H 8.97 4.87 0.00 3.26 2.95 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.57 4.22 0.00 1.71 1.65 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.44 7.81 54 L 8.45 4.72 0.00 1.43 1.38 0.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.43 0.00 2.42 2.03 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 56 D 8.82 4.41 0.00 2.68 2.77 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 57 D 7.93 4.74 0.00 2.78 2.77 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 58 Y 7.84 3.93 0.00 3.09 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 59 P 0.00 4.41 0.00 1.95 1.88 0.00 2.50 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 60 I 8.35 4.15 1.93 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 0.87 1.01 0.00 0.00