NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3110 8.1133 120.8598 56.5748 32.3098 177.5824 2 M 3.9309 7.9192 117.5455 57.5306 31.8484 176.9866 3 K 4.1659 8.1897 119.8609 58.8971 32.6502 178.6425 4 Q 3.9093 7.9816 119.0719 59.1733 29.1047 177.5910 5 I 3.6790 7.8013 120.9267 64.8606 37.2575 178.0165 6 E 3.9700 8.5644 119.2431 59.7313 29.4188 179.3864 7 D 4.4778 8.3669 118.9091 57.1378 40.8778 178.9424 8 K 3.9841 8.2521 119.1645 59.4531 32.0254 179.3095 9 I 3.6960 7.8943 120.1106 64.4924 37.0401 178.0935 10 E 3.9820 8.1509 119.9533 59.2934 29.3679 178.7071 11 E 3.9850 8.1442 118.4340 59.3750 29.4128 179.4333 12 I 3.7034 7.8080 119.8348 64.4610 37.2121 178.3335 13 E 3.9459 8.5935 119.8894 59.3358 29.2254 179.4979 14 S 4.0737 7.9880 113.1616 61.4519 62.5812 176.4134 15 K 4.0192 8.2642 121.3405 59.4016 31.7068 179.1840 16 Q 3.9763 8.3263 120.3569 58.9496 28.9039 178.1365 17 K 4.2629 8.1399 122.1404 58.8691 32.2215 179.0238 18 K 3.9842 7.9637 118.5184 59.2908 31.8973 179.3700 19 I 3.6971 7.8657 120.1295 64.4435 36.5721 178.1294 20 E 3.9715 8.2520 119.3248 59.5519 29.2732 179.2344 21 N 4.3270 8.3279 116.3778 56.3653 38.5851 176.9948 22 E 3.9224 8.2544 120.5594 59.3988 29.6130 178.9298 23 I 3.6600 8.2613 119.9836 64.2524 37.1498 178.2004 24 A 3.9782 8.2207 121.7841 55.2980 18.1490 179.9714 25 R 3.8607 8.1674 116.5274 59.3278 30.0595 179.0683 26 I 3.6675 7.9219 119.8399 64.5886 37.0724 178.5426 27 K 3.9059 8.2900 119.1938 59.2809 31.9242 179.4752 28 K 3.9127 8.0037 118.7079 59.6047 31.9837 179.3514 29 L 3.9953 8.0888 119.2236 57.5889 41.4246 179.3268 30 L 3.8565 8.1251 120.4904 58.3201 42.0333 178.9547 31 Q 3.4217 8.0924 118.0944 58.8730 28.4743 179.1018 32 L 4.2391 7.8507 120.0158 57.9636 41.6546 179.6322 33 T 3.8741 8.1087 110.0091 64.6181 68.6377 176.8955 34 V 3.4698 7.8636 121.2530 65.6064 31.5869 177.9504 35 W 4.7031 7.9806 118.8756 59.8203 28.8519 178.7095 36 G 3.6828 8.4951 105.6965 47.8828 0.0000 175.6312 37 I 3.7172 7.8914 122.6821 64.2185 37.1392 178.7648 38 K 4.5673 8.0411 120.3604 58.8372 31.8246 179.4495 39 Q 4.0152 8.2484 118.4821 59.0794 28.6907 178.9140 40 L 4.0088 7.9160 119.8293 57.7850 41.5051 179.5025 41 Q 3.9549 8.5725 118.1571 59.0241 28.5500 178.6110 42 A 4.0147 8.3170 121.9931 55.4868 18.1131 179.9728 43 R 3.9439 7.6189 114.9779 59.3402 30.4284 179.0387 44 I 3.9487 8.0092 110.0437 62.2810 37.5399 175.8515 45 L 4.3414 7.5052 126.1662 55.0953 42.0797 176.0534 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 4.31 0.00 1.86 1.99 0.00 3.14 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 1.66 0.00 2 M 7.92 3.93 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 3 K 8.19 4.17 0.00 1.79 1.87 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.36 7.81 4 Q 7.98 3.91 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 5 I 7.80 3.68 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 0.63 0.91 0.00 0.00 6 E 8.56 3.97 0.00 2.13 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 2.48 0.00 7 D 8.37 4.48 0.00 2.68 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 8.25 3.98 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 9 I 7.89 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 1.41 0.70 0.91 0.00 0.00 10 E 8.15 3.98 0.00 2.14 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 2.30 2.35 0.00 11 E 8.14 3.99 0.00 2.30 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 2.33 2.48 0.00 12 I 7.81 3.70 1.99 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 0.87 0.91 0.00 0.00 13 E 8.59 3.95 0.00 2.13 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 2.50 0.00 14 S 7.99 4.07 0.00 3.96 4.02 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 15 K 8.26 4.02 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 Q 8.33 3.98 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 17 K 8.14 4.26 0.00 1.92 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.38 7.81 18 K 7.96 3.98 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 19 I 7.87 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 0.69 0.91 0.00 0.00 20 E 8.25 3.97 0.00 2.20 2.01 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 2.33 2.49 0.00 21 N 8.33 4.33 0.00 2.88 2.86 0.00 0.00 6.69 7.39 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 22 E 8.25 3.92 0.00 2.26 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 2.30 2.40 0.00 23 I 8.26 3.66 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.90 0.00 0.00 24 A 8.22 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.86 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 26 I 7.92 3.67 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.89 0.00 0.00 27 K 8.29 3.91 0.00 1.88 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 28 K 8.00 3.91 0.00 1.93 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.75 7.81 29 L 8.09 4.00 0.00 1.79 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.13 3.86 0.00 1.85 1.73 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.09 3.42 0.00 2.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 32 L 7.85 4.24 0.00 1.92 1.80 0.98 0.83 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 33 T 8.11 3.87 4.23 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 1.30 0.00 0.00 34 V 7.86 3.47 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 0.81 0.00 0.00 0.84 0.00 0.00 35 W 7.98 4.70 0.00 3.57 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 36 G 8.50 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 37 I 7.89 3.72 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.92 0.00 0.00 38 K 8.04 4.57 0.00 2.12 1.96 0.00 1.91 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.54 7.81 39 Q 8.25 4.02 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 40 L 7.92 4.01 0.00 1.92 1.73 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.57 3.95 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 42 A 8.32 4.01 1.41 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 0.00 0.00 0.00 43 R 7.62 3.94 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 44 I 8.01 3.95 1.88 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 1.53 0.53 0.97 0.00 0.00 45 L 7.51 4.34 0.00 1.69 1.56 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00