NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6404 8.3249 119.4764 57.4418 40.3510 173.8848 2 E 4.4579 8.5196 121.9881 53.6736 31.9360 174.5283 3 N 4.6615 9.3599 120.9423 53.2899 38.7880 174.3376 4 R 4.6600 8.2389 126.1628 55.9693 31.2198 179.1353 5 V 3.6233 8.6581 120.8263 66.3381 31.2986 177.2956 6 A 4.4723 7.9119 121.1239 54.4810 18.1318 179.4330 7 E 3.8855 8.0909 116.7013 59.6028 29.6689 179.2313 8 K 4.0280 7.7417 117.9301 59.7831 31.6674 179.3192 9 Q 4.0948 8.6641 118.4534 58.8157 28.4363 178.7129 10 K 3.8995 8.0460 119.5155 59.4957 32.3667 178.0872 11 L 3.9322 8.1814 120.8196 58.1867 41.8108 178.5009 12 F 4.3131 8.2770 114.9033 58.6748 39.1413 176.5591 13 Q 4.5669 7.5814 116.1365 54.0876 29.4076 175.1666 14 E 3.8108 7.2614 121.9556 56.7035 30.4432 177.7089 15 D 4.6883 8.5944 127.8902 54.4108 39.2026 175.3405 16 N 4.7035 7.8304 113.7492 52.2217 38.2308 176.6142 17 G 3.9078 8.2190 105.6226 45.9834 0.0000 173.9543 18 L 4.2658 7.9254 120.1492 53.0895 42.6059 175.3276 19 P 4.5119 0.0000 0.0000 62.1844 32.2593 177.6152 20 V 3.7774 8.4991 119.6122 65.1870 31.2225 177.7470 21 H 4.4719 8.2246 113.7913 56.9505 28.3623 175.4438 22 L 4.6894 8.0695 119.4695 54.2830 42.7149 177.6416 23 K 4.1323 7.9402 119.8108 57.8905 32.3301 177.8535 24 G 3.6698 9.1824 107.2775 46.4578 0.0000 171.9263 25 G 3.6837 7.5985 104.2537 44.0740 0.0000 173.9880 26 A 4.0432 8.8270 119.2568 55.6019 18.1724 180.1498 27 T 3.9055 7.9387 113.8680 66.8053 68.4116 176.3026 28 D 4.4382 8.2332 120.9997 57.5166 40.8490 178.6242 29 N 4.4819 8.0272 116.5047 56.1760 38.5636 177.3939 30 I 3.7277 7.7045 120.8389 64.3580 37.2293 178.2264 31 L 3.9320 8.1262 121.1268 58.1961 41.8545 177.9909 32 Y 4.1707 8.3488 119.8323 61.2426 38.7208 178.7715 33 R 3.5331 8.1862 118.4959 58.8129 30.0714 179.2925 34 V 3.5459 8.0139 118.5980 66.1406 31.4828 178.2953 35 T 3.7918 7.8005 115.5413 66.9472 68.2661 176.5185 36 M 3.9213 7.8700 120.2275 58.5566 32.1293 178.4448 37 T 3.7938 7.8108 116.0742 66.5505 68.6655 176.5960 38 L 4.0003 7.9532 120.8834 57.9830 41.6143 179.5010 39 C 4.1384 8.2024 116.6318 62.8513 28.1249 176.2150 40 L 4.1478 8.2577 120.9406 57.4281 41.2020 179.6148 41 G 3.7418 8.6076 106.2718 47.9329 0.0000 175.9449 42 G 3.7320 8.5518 109.1061 47.7068 0.0000 175.9193 43 T 3.9477 8.0356 118.0375 66.4380 68.4981 176.9093 44 L 4.0914 8.1487 121.0005 57.9346 41.6565 178.8418 45 Y 4.4677 8.4736 120.0460 60.8056 38.6526 178.4076 46 S 4.0686 8.4608 115.5785 61.2995 63.0412 176.4999 47 L 4.0094 8.1134 122.6398 57.5778 41.3570 178.6048 48 Y 3.9947 8.1883 119.3963 60.9720 38.7145 177.7102 49 C 3.8919 8.4036 117.8359 62.9456 28.3711 175.8625 50 L 4.0071 8.3117 122.0579 58.4196 41.3565 179.3567 51 G 3.6562 7.9798 104.0866 47.5967 0.0000 175.1595 52 W 4.2827 8.1776 130.6179 59.8930 30.5769 177.3153 53 A 3.6324 8.0635 118.1579 53.0700 18.2771 178.8317 54 S 3.9884 7.5842 112.6179 58.8458 63.2958 174.0471 55 F 4.7443 6.5921 119.3513 54.3096 41.8786 173.2152 56 P 4.2782 0.0000 0.0000 63.1395 32.0428 176.7410 57 H 4.6999 7.9827 118.9026 53.2873 27.8813 174.8532 58 K 4.1790 8.0832 121.4642 56.6024 31.7641 176.6007 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 F 8.32 4.64 0.00 2.93 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 2 E 8.52 4.46 0.00 2.05 1.88 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 2.24 2.37 0.00 3 N 9.36 4.66 0.00 2.71 2.79 0.00 0.00 6.92 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 4 R 8.24 4.66 0.00 1.95 2.04 0.00 3.32 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 5 V 8.66 3.62 2.20 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 0.96 0.00 0.00 0.95 0.00 0.00 6 A 7.91 4.47 1.34 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 0.00 0.00 7 E 8.09 3.89 0.00 2.21 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 2.41 2.41 0.00 8 K 7.74 4.03 0.00 2.05 2.10 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.69 1.75 7.81 9 Q 8.66 4.09 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 10 K 8.05 3.90 0.00 1.74 1.99 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 8.18 3.93 0.00 1.60 1.58 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.28 4.31 0.00 3.08 3.12 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 13 Q 7.58 4.57 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 14 E 7.26 3.81 0.00 1.90 1.88 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 2.29 2.23 0.00 15 D 8.59 4.69 0.00 2.67 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 16 N 7.83 4.70 0.00 2.80 2.84 0.00 0.00 6.37 7.00 0.00 0.00 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 G 8.22 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 18 L 7.93 4.27 0.00 1.75 1.57 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.51 0.00 2.23 2.17 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 20 V 8.50 3.78 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 0.82 0.00 0.00 0.91 0.00 0.00 21 H 8.22 4.47 0.00 3.30 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.07 4.69 0.00 1.50 1.58 0.73 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.94 4.13 0.00 1.99 2.26 0.00 2.08 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.35 7.81 24 G 9.18 3.67 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 0.00 0.00 0.00 25 G 7.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.04 1.33 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 0.00 0.00 27 T 7.94 3.91 4.28 0.00 0.00 0.00 0.00 0.00 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 28 D 8.23 4.44 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 29 N 8.03 4.48 0.00 2.94 2.93 0.00 0.00 7.14 7.47 0.00 0.00 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 7.70 3.73 2.05 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 1.43 0.85 0.93 0.00 0.00 31 L 8.13 3.93 0.00 1.89 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.35 4.17 0.00 3.19 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.53 0.00 2.03 1.92 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 34 V 8.01 3.55 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 1.00 0.00 0.00 0.94 0.00 0.00 35 T 7.80 3.79 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 1.19 0.00 0.00 36 M 7.87 3.92 0.00 1.60 1.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 37 T 7.81 3.79 4.32 0.00 0.00 0.00 0.00 0.00 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 38 L 7.95 4.00 0.00 1.81 1.70 0.90 0.79 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 39 C 8.20 4.14 0.00 2.94 2.97 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 40 L 8.26 4.15 0.00 1.72 1.71 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.61 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.55 3.73 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 0.00 0.00 0.00 43 T 8.04 3.95 4.41 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 1.24 0.00 0.00 44 L 8.15 4.09 0.00 1.93 1.80 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.47 4.47 0.00 2.96 3.23 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 46 S 8.46 4.07 0.00 4.06 4.12 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 47 L 8.11 4.01 0.00 1.96 1.81 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.19 3.99 0.00 3.28 3.31 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 49 C 8.40 3.89 0.00 2.94 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 L 8.31 4.01 0.00 1.83 1.87 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.18 4.28 0.00 2.98 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 53 A 8.06 3.63 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 3.99 0.00 3.84 3.31 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 55 F 6.59 4.74 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 2.11 1.97 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 H 7.98 4.70 0.00 3.06 3.32 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.08 4.18 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81