NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2766 8.1127 120.8598 56.5709 32.3149 177.2663 2 M 3.8344 8.0110 117.0581 57.6042 32.0843 176.4270 3 K 4.2136 8.7086 121.9989 59.0877 32.8610 178.2182 4 Q 4.0103 8.0113 117.8885 58.9209 28.6486 178.5866 5 I 3.7171 7.9538 120.9080 64.4218 36.8885 178.3376 6 E 3.9580 8.4272 119.6003 59.6283 29.3007 179.2268 7 D 4.3624 8.5025 119.3211 57.1590 40.7486 178.8126 8 K 4.1478 8.1816 120.2797 59.4696 32.1443 178.9869 9 I 3.6962 7.9820 120.2956 64.4858 36.9458 178.2896 10 E 4.3458 8.2362 120.7199 58.9157 29.2531 179.2742 11 E 3.9666 8.2470 118.7777 59.3988 29.4231 179.4657 12 I 3.7410 8.0555 120.1104 64.2855 37.0234 178.2577 13 E 3.9336 8.3710 119.5912 59.4424 29.3937 179.2895 14 S 4.1081 8.2508 113.1798 61.5210 62.3871 176.4648 15 K 4.0104 8.1822 121.0899 59.3984 31.6920 179.1129 16 Q 3.9514 8.3560 120.1575 59.0440 28.8830 178.3517 17 K 4.2247 7.9751 122.0413 58.9104 32.2235 179.0529 18 K 3.9971 7.9740 118.7259 59.3329 31.8375 179.4104 19 I 3.7098 8.1307 120.5584 64.4843 36.7089 178.2808 20 E 3.9616 8.3814 119.4658 59.5436 29.2427 179.2486 21 N 4.4283 8.3240 116.6647 56.0481 38.5319 177.1126 22 E 3.8927 8.2619 120.8071 59.4123 29.7422 178.8587 23 I 3.6785 8.0502 119.8766 64.4366 37.1398 178.2924 24 A 3.9924 8.0160 121.5213 55.2234 18.2123 179.9536 25 R 3.9034 8.0449 116.6682 59.3348 30.0712 179.3513 26 I 3.7221 7.9640 119.7583 64.3636 37.0400 178.6466 27 K 4.0614 8.2926 119.4394 59.3101 31.8587 179.6092 28 K 3.9563 8.0701 118.9188 59.3403 31.9502 179.2131 29 L 3.9674 7.9207 120.6393 57.9065 42.0260 178.6160 30 L 3.9705 8.3663 120.8184 58.4265 42.0425 179.0827 31 Q 4.0832 8.4078 118.0529 58.8277 28.4992 178.7289 32 L 4.1085 7.8992 120.4546 57.9606 41.5776 179.6116 33 T 3.9747 8.1483 109.9400 64.6453 68.6891 176.8020 34 V 3.5783 8.0373 121.1504 65.6045 31.4884 177.8021 35 W 4.1827 8.4834 128.2097 60.3973 30.4912 178.1514 36 G 3.6371 8.8208 106.1143 47.9025 0.0000 175.7902 37 I 3.6718 7.9987 122.5437 63.8939 37.0921 178.3944 38 K 3.7862 8.0254 120.4784 59.5178 31.8760 178.8820 39 Q 3.5822 7.7557 118.4904 58.6763 28.5284 178.6722 40 L 3.8764 7.8093 120.0182 57.7820 41.6227 179.3024 41 Q 3.8922 8.1884 119.3819 59.2277 28.7550 178.3462 42 A 3.9131 7.7814 120.5670 55.0893 18.4756 179.3174 43 R 3.9321 8.1135 116.7748 59.0054 30.2018 178.1880 44 I 4.0640 7.6262 118.2292 63.0186 37.8917 175.8066 45 L 4.2633 7.8283 122.6958 54.7775 41.6735 176.3283 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 R 8.11 4.28 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 8.01 3.83 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 3 K 8.71 4.21 0.00 1.83 1.79 0.00 1.83 0.00 0.00 2.10 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.33 7.81 4 Q 8.01 4.01 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.95 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 6 E 8.43 3.96 0.00 2.15 2.00 0.00 0.00 0.00 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 2.44 0.00 7 D 8.50 4.36 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 8 K 8.18 4.15 0.00 1.95 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 I 7.98 3.70 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.56 0.91 0.00 0.00 10 E 8.24 4.35 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 11 E 8.25 3.97 0.00 2.20 2.00 0.00 0.00 0.00 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 2.44 0.00 12 I 8.06 3.74 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.91 0.00 0.00 13 E 8.37 3.93 0.00 2.21 2.00 0.00 0.00 0.00 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 2.46 0.00 14 S 8.25 4.11 0.00 3.88 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 0.00 15 K 8.18 4.01 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 16 Q 8.36 3.95 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 17 K 7.98 4.22 0.00 1.93 1.95 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 18 K 7.97 4.00 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 19 I 8.13 3.71 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.91 0.00 0.00 20 E 8.38 3.96 0.00 2.18 2.00 0.00 0.00 0.00 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 2.47 0.00 21 N 8.32 4.43 0.00 2.95 2.86 0.00 0.00 6.64 7.22 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 22 E 8.26 3.89 0.00 2.19 2.14 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 2.31 2.35 0.00 23 I 8.05 3.68 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 0.91 0.00 0.00 24 A 8.02 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.90 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 26 I 7.96 3.72 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.92 0.00 0.00 27 K 8.29 4.06 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 K 8.07 3.96 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 29 L 7.92 3.97 0.00 1.78 1.79 0.93 0.56 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 30 L 8.37 3.97 0.00 1.89 1.88 0.94 0.74 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 31 Q 8.41 4.08 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 32 L 7.90 4.11 0.00 1.94 1.76 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.15 3.97 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 1.30 0.00 0.00 34 V 8.04 3.58 2.32 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 1.03 0.00 0.00 1.04 0.00 0.00 35 W 8.48 4.18 0.00 3.46 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.00 3.67 1.99 0.00 0.00 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 1.40 0.77 0.88 0.00 0.00 38 K 8.03 3.79 0.00 1.86 1.68 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.40 7.81 39 Q 7.76 3.58 0.00 1.62 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.81 3.88 0.00 1.76 1.66 0.90 0.66 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 41 Q 8.19 3.89 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.78 3.91 1.23 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 0.00 0.00 43 R 8.11 3.93 0.00 1.75 1.94 0.00 3.28 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 44 I 7.63 4.06 1.94 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 1.50 0.72 0.89 0.00 0.00 45 L 7.83 4.26 0.00 1.73 1.54 0.90 0.78 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