NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2876 8.4444 116.7587 55.4962 31.2871 175.5218 3 S 4.2327 8.5145 120.1061 55.7784 63.3521 172.8642 4 F 4.0863 9.1823 131.7403 61.5369 39.6430 176.0356 5 L 3.8273 8.1552 119.1877 58.1758 41.8404 178.5024 6 L 3.9709 8.0209 120.3759 58.2020 42.0112 179.1233 7 S 4.0939 7.8988 113.7447 61.2934 62.8732 176.7279 8 K 3.8018 7.6065 121.6679 59.0194 31.7624 179.5080 9 V 3.6474 7.9173 118.8378 66.1511 31.5607 178.3359 10 S 4.2108 8.3584 114.1288 61.0253 62.8355 175.9673 11 F 3.9434 8.2661 124.5004 61.4130 39.1006 177.4010 12 V 3.5306 7.9119 117.6106 65.7391 31.2313 177.9512 13 I 3.8170 7.9110 119.7391 64.2976 37.0021 178.1685 14 K 4.0307 7.8739 121.5881 58.7577 32.0123 178.6048 15 K 3.6987 7.8092 119.8163 59.6210 32.1048 178.8630 16 I 3.7105 7.8153 120.0596 64.0951 36.9627 178.1739 17 R 3.8555 8.0139 119.6512 59.7166 29.8638 178.6256 18 L 3.9821 7.9962 118.5105 57.7208 41.3549 179.3039 19 E 3.9770 8.0290 117.7746 59.2697 29.5416 178.9737 20 K 4.2668 8.5034 116.2094 56.5280 32.2232 177.5470 21 G 3.8540 7.7648 107.3707 46.6085 0.0000 173.3349 22 M 4.6846 7.8592 118.5059 53.5376 33.9539 177.0196 23 T 4.3383 8.8840 113.7356 60.9301 71.5376 176.0907 24 Q 4.0003 8.4396 119.3987 59.0669 28.5614 178.6876 25 E 3.9992 8.2244 119.1115 59.6922 29.5552 178.9798 26 D 4.4224 8.1592 118.6972 57.3722 40.8999 178.7666 27 L 3.9742 8.0896 120.5656 57.8857 42.1980 178.5574 28 A 4.0331 8.3645 121.2471 55.4856 17.9854 178.8680 29 Y 4.0549 8.3038 117.9711 61.0344 38.7422 178.5797 30 K 3.8135 8.0823 117.0582 58.3770 32.2541 178.5461 31 S 4.4587 7.7952 113.6537 57.4336 63.4909 173.8751 32 N 4.1749 7.5697 117.3123 54.2565 36.2388 173.7543 33 L 4.7577 7.4857 116.1468 52.5028 45.0552 176.4317 34 D 4.6270 8.2664 118.7066 53.7956 43.1389 176.9576 35 R 3.9748 8.6922 125.3851 59.9044 30.1301 179.4136 36 T 3.8799 8.1104 108.8368 64.9157 68.5873 175.7264 37 Y 4.0694 8.0099 121.8533 60.4294 38.9123 177.8031 38 I 3.6348 7.8140 120.6608 64.4134 37.1086 177.9921 39 S 4.2323 8.3193 114.3535 61.6468 62.1426 176.5250 40 G 3.6088 8.5737 108.3673 47.9258 0.0000 175.5758 41 I 3.5694 7.5907 122.3568 64.1296 37.2194 178.2571 42 E 4.1271 8.1989 118.5124 58.2442 29.1408 178.3661 43 R 4.4100 7.3379 116.3736 55.5021 30.5327 176.1642 44 N 4.3960 7.8200 114.8695 54.5109 36.1663 174.8027 45 S 4.7716 8.1571 110.9934 58.0542 63.8446 174.2307 46 R 4.6357 7.5120 118.4228 54.3562 33.6112 174.2412 47 N 4.7180 8.6601 120.3184 52.5230 40.1122 173.8283 48 L 4.9806 8.4559 124.6280 51.8217 44.8814 176.9392 49 T 4.3880 8.3738 116.3213 60.9888 71.3667 175.7246 50 I 3.7327 8.2035 122.0312 64.5456 37.0947 178.7937 51 K 3.9562 8.0445 118.8175 59.5936 31.8132 179.4317 52 S 4.1341 8.1968 115.4768 61.3441 62.7296 176.2820 53 L 3.8278 8.0788 123.1667 58.1816 41.7772 178.6597 54 E 3.8394 8.3113 119.1746 59.2946 29.5359 178.7612 55 L 3.9681 7.8753 118.9746 57.7674 41.6328 179.6327 56 I 3.6673 7.9311 119.9943 64.7357 37.0765 178.3852 57 M 3.9876 8.1963 119.8951 58.0868 31.7009 178.8027 58 K 3.9841 8.0969 119.9881 59.4850 32.1904 179.1530 59 G 3.6139 7.9542 104.8116 47.7051 0.0000 175.1445 60 L 4.1410 8.3118 119.4952 54.5866 42.5026 176.5174 61 E 3.8136 7.8159 118.0310 57.6574 27.5085 174.7685 62 V 4.5090 7.5637 116.1925 59.4211 34.5299 176.5996 63 S 4.4656 8.3186 116.8765 57.8272 65.2741 174.9232 64 D 4.4079 8.6627 122.7562 57.7916 40.6855 179.2642 65 V 3.7469 7.9239 117.8026 66.1817 31.5626 177.7818 66 V 3.5842 7.6321 117.3327 66.0565 31.3489 177.4425 67 F 3.8084 8.1972 120.0592 61.6363 39.1167 177.2572 68 F 4.3748 8.4353 117.1898 60.3718 38.7963 177.3484 69 E 3.9801 8.9013 119.6542 59.5383 29.3814 178.8242 70 M 4.0608 8.0135 118.9077 57.8990 31.9071 178.4834 71 L 3.8005 7.6718 120.6104 58.0378 42.2855 178.9365 72 I 3.6980 8.0142 120.0441 64.3898 36.8772 178.0723 73 K 3.8461 7.6200 118.4548 59.6211 32.2419 178.0085 74 E 3.9959 8.2709 119.3183 59.4552 29.3972 178.9189 75 I 3.8333 7.9049 118.8287 64.1529 37.1961 177.9724 76 L 4.2717 7.9707 121.0422 57.0614 41.5973 177.7674 77 K 4.1838 7.6882 124.9577 54.6416 31.7348 181.8920 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 2 E 8.44 4.29 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 3 S 8.51 4.23 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.18 4.09 0.00 3.10 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 5 L 8.16 3.83 0.00 1.87 1.71 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.02 3.97 0.00 1.83 1.80 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.90 4.09 0.00 4.07 4.21 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 8 K 7.61 3.80 0.00 1.74 1.72 0.00 1.38 0.00 0.00 1.19 0.00 0.00 2.39 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.65 0.99 7.81 9 V 7.92 3.65 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 1.19 0.00 0.00 1.08 0.00 0.00 10 S 8.36 4.21 0.00 4.20 4.20 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 0.00 0.00 0.00 0.00 11 F 8.27 3.94 0.00 3.26 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 12 V 7.91 3.53 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 0.20 0.00 0.00 0.90 0.00 0.00 13 I 7.91 3.82 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 0.91 0.00 0.00 14 K 7.87 4.03 0.00 1.82 1.64 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.43 7.81 15 K 7.81 3.70 0.00 1.48 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 I 7.82 3.71 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.45 0.94 0.00 0.00 17 R 8.01 3.86 0.00 1.94 2.10 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 18 L 8.00 3.98 0.00 1.66 1.65 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.98 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 2.33 2.32 0.00 20 K 8.50 4.27 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.75 7.81 21 G 7.76 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.86 4.68 0.00 2.03 1.99 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 2.72 2.47 0.00 23 T 8.88 4.34 4.36 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 1.24 0.00 0.00 24 Q 8.44 4.00 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 25 E 8.22 4.00 0.00 2.05 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 2.49 0.00 26 D 8.16 4.42 0.00 2.99 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 27 L 8.09 3.97 0.00 1.79 1.82 0.92 1.25 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 28 A 8.36 4.03 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 0.00 0.00 0.00 0.00 0.00 29 Y 8.30 4.05 0.00 3.00 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 30 K 8.08 3.81 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.79 1.68 7.81 31 S 7.80 4.46 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.57 4.17 0.00 2.81 2.86 0.00 0.00 6.78 7.52 0.00 0.00 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 L 7.49 4.76 0.00 1.70 1.67 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.27 4.63 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.69 3.97 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 36 T 8.11 3.88 4.29 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 1.24 0.00 0.00 37 Y 8.01 4.07 0.00 3.06 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 38 I 7.81 3.63 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 0.90 0.00 0.00 39 S 8.32 4.23 0.00 3.97 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 40 G 8.57 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.57 1.79 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 0.81 0.00 0.00 42 E 8.20 4.13 0.00 1.99 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 2.28 2.45 0.00 43 R 7.34 4.41 0.00 1.84 1.95 0.00 3.23 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 44 N 7.82 4.40 0.00 2.94 2.98 0.00 0.00 6.72 6.86 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 45 S 8.16 4.77 0.00 3.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 4.64 0.00 1.48 1.74 0.00 3.39 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 47 N 8.66 4.72 0.00 2.71 2.75 0.00 0.00 6.78 7.78 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 48 L 8.46 4.98 0.00 1.57 1.51 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.37 4.39 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 1.24 0.00 0.00 50 I 8.20 3.73 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.95 0.00 0.00 51 K 8.04 3.96 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 52 S 8.20 4.13 0.00 4.12 4.09 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 0.00 0.00 0.00 0.00 53 L 8.08 3.83 0.00 1.83 1.84 0.55 0.71 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 54 E 8.31 3.84 0.00 2.19 2.04 0.00 0.00 0.00 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 2.33 0.00 55 L 7.88 3.97 0.00 1.94 1.67 0.88 0.85 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 56 I 7.93 3.67 1.91 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 1.54 0.73 0.87 0.00 0.00 57 M 8.20 3.99 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.76 0.00 58 K 8.10 3.98 0.00 1.91 1.93 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.31 4.14 0.00 1.73 1.75 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.82 3.81 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 62 V 7.56 4.51 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 0.80 0.00 0.00 1.00 0.00 0.00 63 S 8.32 4.47 0.00 4.11 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 64 D 8.66 4.41 0.00 2.88 3.07 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 65 V 7.92 3.75 2.15 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 0.99 0.00 0.00 1.01 0.00 0.00 66 V 7.63 3.58 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 0.96 0.00 0.00 0.96 0.00 0.00 67 F 8.20 3.81 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.44 4.37 0.00 3.24 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 69 E 8.90 3.98 0.00 2.27 1.96 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 2.33 2.40 0.00 70 M 8.01 4.06 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 71 L 7.67 3.80 0.00 1.56 1.89 0.88 1.06 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 72 I 8.01 3.70 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.93 0.00 0.00 73 K 7.62 3.85 0.00 1.97 1.91 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 E 8.27 4.00 0.00 2.26 1.96 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 2.25 2.09 0.00 75 I 7.90 3.83 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 1.07 0.00 0.00 76 L 7.97 4.27 0.00 1.80 1.73 0.93 0.86 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 77 K 7.69 4.18 0.00 1.80 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.25 7.81