NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3087 8.2493 123.5812 51.2018 19.7469 176.4049 7 P 4.3319 0.0000 0.0000 60.8057 32.2338 175.0183 8 D 4.7729 8.7265 122.5780 51.5416 43.5485 178.3666 9 F 3.8077 8.7160 120.8824 62.2042 39.2240 176.8796 10 H 4.5152 8.1563 114.8752 59.0312 28.3458 177.4032 11 D 4.3724 8.5851 120.3616 57.6979 40.6809 178.3798 12 K 3.7966 7.7298 118.5104 58.4461 32.2236 178.2816 13 Y 4.5002 7.7143 117.1278 58.9285 38.2272 178.1228 14 G 4.1019 7.7145 107.4570 48.3728 0.0000 175.5165 15 N 4.3644 8.2192 118.7237 55.4279 38.4654 177.4041 16 A 3.9507 7.8297 121.8243 55.1188 18.6230 179.2437 17 V 3.5564 8.0222 117.0015 66.3349 31.4757 177.5263 18 L 3.9411 8.1753 119.5385 58.4511 41.7971 178.9332 19 A 3.9918 7.9747 119.9549 55.2466 18.3995 179.6383 20 S 4.2339 8.4557 113.2265 61.5639 62.9187 176.9332 21 G 3.6526 8.4735 109.2786 47.5647 0.0000 175.4096 22 A 4.0810 8.2524 124.0023 55.0649 18.4652 179.9318 23 T 3.8197 8.4068 114.4669 66.7684 68.6667 176.4661 24 F 4.2831 8.5714 122.9082 61.7469 39.3299 176.3437 25 C 3.8470 8.3297 117.9430 62.7709 31.3395 175.5398 26 V 3.6265 7.7094 119.0339 66.2026 30.9398 177.8323 27 A 3.9970 7.9366 119.8800 55.2487 18.2586 179.5971 28 V 3.4477 7.5404 116.1781 65.8931 31.4181 178.5113 29 W 3.6918 8.2260 118.5548 59.6754 28.7946 178.6494 30 V 3.6935 8.0873 118.2389 66.1371 30.8754 177.2507 31 Y 4.0805 8.4425 119.5726 61.0222 38.4945 177.4776 32 M 3.8156 8.3156 118.0815 58.8580 32.3652 177.8148 33 A 4.7409 8.4591 119.5148 54.2560 18.6907 178.0959 34 T 4.5576 7.3914 104.7542 62.1719 70.8371 175.4489 35 Q 3.9011 8.4579 120.8166 57.2437 28.9234 176.0880 36 I 4.1364 7.0763 110.5029 59.2294 39.5946 175.0807 37 G 3.8701 8.0496 108.1735 45.4962 0.0000 174.5613 38 I 3.5034 7.4097 119.7974 60.7209 37.8791 176.0929 39 E 4.3593 8.2154 125.0677 54.7864 29.5025 176.0049 40 W 4.2243 8.7353 124.3735 56.9721 30.2490 176.2927 41 N 4.0622 8.0380 115.1636 53.9116 36.7356 170.6366 42 P 4.5730 0.0000 0.0000 61.6559 33.0106 176.7476 43 S 4.1570 8.4607 113.5295 58.0025 62.5499 172.4118 44 P 4.3740 0.0000 0.0000 64.8102 31.6575 176.5670 45 V 3.6956 7.1830 119.7723 63.4480 31.1645 176.3203 46 G 3.9969 9.1631 114.0082 44.9300 0.0000 173.3856 47 R 4.3145 8.0146 118.1028 57.4163 31.4458 176.2635 48 V 4.1031 7.5699 115.9892 61.5912 32.6674 174.7792 49 T 4.4197 8.2115 116.8263 59.1484 69.5440 172.7974 50 P 4.2409 0.0000 0.0000 62.7172 31.8311 175.4994 51 K 4.5963 8.4325 123.5310 53.9248 34.3639 175.3643 52 E 4.0041 8.9108 125.2211 57.1116 29.7053 176.9893 53 W 4.5769 8.5743 118.9356 56.0147 29.6285 176.0758 54 R 3.8050 6.8737 123.0196 56.3236 31.0812 175.0904 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 6 A 8.25 4.31 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 7 P 0.00 4.33 0.00 2.19 2.02 0.00 3.73 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 1.94 1.97 0.00 8 D 8.73 4.77 0.00 3.02 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 9 F 8.72 3.81 0.00 3.18 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 10 H 8.16 4.52 0.00 3.42 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.59 4.37 0.00 2.69 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 12 K 7.73 3.80 0.00 0.79 0.74 0.00 1.23 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.34 7.81 13 Y 7.71 4.50 0.00 2.33 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 14 G 7.71 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 0.00 0.00 0.00 15 N 8.22 4.36 0.00 2.75 2.89 0.00 0.00 6.90 8.14 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 16 A 7.83 3.95 1.40 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 0.00 0.00 17 V 8.02 3.56 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.14 0.00 0.00 18 L 8.18 3.94 0.00 1.92 1.87 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.97 3.99 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 20 S 8.46 4.23 0.00 4.06 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 0.00 21 G 8.47 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.25 4.08 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 23 T 8.41 3.82 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 1.28 0.00 0.00 24 F 8.57 4.28 0.00 3.10 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 25 C 8.33 3.85 0.00 3.21 3.13 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 26 V 7.71 3.63 2.23 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 0.98 0.00 0.00 0.97 0.00 0.00 27 A 7.94 4.00 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 28 V 7.54 3.45 1.77 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 0.94 0.00 0.00 0.32 0.00 0.00 29 W 8.23 3.69 0.00 3.60 3.34 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 30 V 8.09 3.69 2.36 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.44 4.08 0.00 3.08 3.13 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 32 M 8.32 3.82 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 33 A 8.46 4.74 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.39 4.56 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 35 Q 8.46 3.90 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 36 I 7.08 4.14 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.79 0.00 0.00 37 G 8.05 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 38 I 7.41 3.50 1.46 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 -0.40 0.00 0.00 39 E 8.22 4.36 0.00 1.84 1.83 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 2.19 2.22 0.00 40 W 8.74 4.22 0.00 3.26 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 41 N 8.04 4.06 0.00 2.77 2.79 0.00 0.00 7.19 7.89 0.00 0.00 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 4.57 0.00 2.24 2.11 0.00 3.92 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 2.03 2.01 0.00 43 S 8.46 4.16 0.00 3.86 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 44 P 0.00 4.37 0.00 2.26 2.30 0.00 3.76 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 2.07 1.95 0.00 45 V 7.18 3.70 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.31 0.00 1.76 1.93 0.00 3.27 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 V 7.57 4.10 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 0.90 0.00 0.00 0.94 0.00 0.00 49 T 8.21 4.42 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 50 P 0.00 4.24 0.00 2.10 2.10 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.43 4.60 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 52 E 8.91 4.00 0.00 1.98 1.83 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 2.31 2.22 0.00 53 W 8.57 4.58 0.00 3.61 3.22 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 54 R 6.87 3.81 0.00 1.83 2.05 0.00 3.24 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 1.31 1.39 0.00