NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 C 4.5566 8.3444 118.3639 59.1170 30.0118 174.7000 10 E 4.5599 7.7760 117.6932 52.5805 30.3784 170.5843 11 P 4.3705 0.0000 0.0000 62.4732 33.1978 176.5832 12 R 4.6817 8.4531 120.9719 54.0965 33.5169 174.5391 13 A 4.7367 8.1798 121.9934 49.8656 22.3038 175.9513 14 A 4.2414 8.4397 123.1805 51.7919 19.1823 177.5175 15 K 4.6594 8.1979 119.7096 54.2687 35.4816 174.7764 16 P 4.2727 0.0000 0.0000 65.1433 31.5030 176.5845 17 F 5.4168 7.6985 113.2906 55.7938 43.0008 173.4183 18 K 4.6844 8.6102 123.1000 54.7086 34.5314 175.4802 19 I 4.6781 8.1839 125.0847 59.3153 41.0528 174.2638 20 L 4.6819 8.4328 123.8745 53.1875 43.9819 175.7762 21 K 4.7299 8.5794 125.2434 54.4597 34.6557 175.5904 22 K 4.5230 8.1440 119.9604 55.2485 35.5126 175.9279 23 R 4.3508 8.4690 121.4557 55.3517 29.7457 174.7399 24 S 4.5285 8.3394 118.1132 60.0185 64.6561 176.4223 25 T 3.9393 8.0464 111.2446 62.7232 68.5421 173.5829 26 T 4.7772 7.4061 111.4368 59.7626 71.6841 173.1301 27 S 4.7344 8.2464 115.3966 56.7014 66.2047 173.3974 28 V 4.4091 7.9995 119.7136 60.4193 34.4258 175.1129 29 A 4.0049 8.6429 128.2504 52.8371 18.5624 177.7061 30 S 4.6220 8.2665 116.1640 56.6385 64.9035 173.2198 31 Y 4.2126 8.3085 121.4206 58.1129 38.9337 174.9666 32 Q 4.0856 7.2485 125.3280 54.0804 32.2374 174.3544 33 V 3.5714 7.7278 124.3428 62.5464 32.4948 176.4359 34 S 4.3908 8.2521 120.7286 57.4195 65.2292 173.5326 35 P 4.1980 0.0000 0.0000 65.9328 30.9807 178.4094 36 H 4.0091 8.1518 116.7866 59.6343 29.8109 177.2491 37 T 3.8056 7.9437 110.8792 64.0435 68.6913 176.5818 38 A 4.0105 8.0524 124.1947 54.9528 18.2966 179.4633 39 R 3.8061 8.2022 117.5014 59.6402 30.1376 178.8617 40 I 3.6656 7.3667 119.1999 64.3661 37.0898 178.4003 41 F 4.6200 8.1680 118.8749 60.6992 38.7638 177.9016 42 K 4.0431 8.3913 118.0941 59.5877 31.8928 179.3299 43 E 3.9935 8.6121 119.1992 59.3806 29.3680 178.7811 44 N 4.3188 8.3647 116.6046 56.7969 38.7188 177.0695 45 E 4.0980 8.3441 120.2182 59.3588 29.5169 179.0626 46 R 4.0462 8.0699 117.3655 58.6039 30.3439 178.5066 47 L 4.2279 7.9249 119.0329 57.3855 41.4534 179.0284 48 I 3.8756 8.2663 120.1890 64.7418 36.9268 177.9997 49 D 4.5263 8.0284 117.3088 56.2477 40.7498 177.6629 50 E 4.2362 7.9448 118.1227 57.8020 29.8881 177.8313 51 Y 4.0709 7.7446 116.1743 60.6313 38.3121 175.2470 52 K 4.1580 7.6906 123.3653 56.6820 32.2837 176.1005 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 9 C 8.34 4.56 0.00 2.98 3.02 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 0.00 0.00 0.00 10 E 7.78 4.56 0.00 1.95 1.80 0.00 0.00 0.00 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 2.36 0.00 11 P 0.00 4.37 0.00 2.21 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 12 R 8.45 4.68 0.00 1.77 1.83 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 13 A 8.18 4.74 1.19 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 0.00 0.00 14 A 8.44 4.24 1.24 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 0.00 0.00 15 K 8.20 4.66 0.00 1.85 1.76 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 16 P 0.00 4.27 0.00 1.75 1.78 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 17 F 7.70 5.42 0.00 2.92 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 18 K 8.61 4.68 0.00 1.69 1.66 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.49 7.81 19 I 8.18 4.68 1.89 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 1.28 0.81 0.91 0.00 0.00 20 L 8.43 4.68 0.00 1.53 1.51 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.58 4.73 0.00 1.75 1.68 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 22 K 8.14 4.52 0.00 1.79 1.71 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 23 R 8.47 4.35 0.00 1.77 1.91 0.00 3.23 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 24 S 8.34 4.53 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 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 1.21 0.00 0.00 26 T 7.41 4.78 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 1.21 0.00 0.00 27 S 8.25 4.73 0.00 3.93 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 28 V 8.00 4.41 2.10 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 0.85 0.00 0.00 0.95 0.00 0.00 29 A 8.64 4.00 1.26 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 0.00 0.00 0.00 30 S 8.27 4.62 0.00 4.05 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 31 Y 8.31 4.21 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 32 Q 7.25 4.09 0.00 1.84 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 33 V 7.73 3.57 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 0.97 0.00 0.00 1.07 0.00 0.00 34 S 8.25 4.39 0.00 4.05 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 35 P 0.00 4.20 0.00 2.17 2.13 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 36 H 8.15 4.01 0.00 3.15 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.94 3.81 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 1.16 0.00 0.00 38 A 8.05 4.01 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 39 R 8.20 3.81 0.00 1.97 2.05 0.00 3.03 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 I 7.37 3.67 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.35 0.87 0.00 0.00 41 F 8.17 4.62 0.00 3.20 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 42 K 8.39 4.04 0.00 2.03 1.89 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 43 E 8.61 3.99 0.00 2.16 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 2.33 2.40 0.00 44 N 8.36 4.32 0.00 3.14 2.96 0.00 0.00 6.69 7.18 0.00 0.00 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 E 8.34 4.10 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 46 R 8.07 4.05 0.00 1.89 1.98 0.00 3.41 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 47 L 7.92 4.23 0.00 2.05 1.89 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.27 3.88 1.92 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 1.79 1.28 0.96 0.00 0.00 49 D 8.03 4.53 0.00 2.83 2.73 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 50 E 7.94 4.24 0.00 1.94 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 0.00 2.21 2.41 0.00 51 Y 7.74 4.07 0.00 3.01 3.05 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 52 K 7.69 4.16 0.00 1.79 1.73 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81