NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3120 8.1133 120.8597 56.6492 32.0773 177.6770 2 M 3.9636 7.8736 117.2506 57.0527 31.7513 177.0615 3 K 4.0627 8.1537 119.8153 59.5382 32.9048 178.0921 4 Q 3.9378 8.0554 119.3261 59.1795 28.9917 178.0174 5 I 3.6871 7.7324 120.7465 64.6685 37.2395 178.1928 6 E 3.9931 8.4006 119.3383 59.4893 29.2000 179.2402 7 D 4.3459 8.2954 119.0085 57.2636 40.8371 178.7872 8 K 3.9237 8.1990 120.1145 59.4499 32.1119 178.7073 9 I 3.6741 7.8188 120.1403 64.5692 37.1763 177.9771 10 E 4.1769 8.1510 121.2101 58.7784 29.4498 178.6907 11 E 3.9867 8.4218 118.8121 59.4414 29.4576 179.4673 12 I 3.7393 8.0379 120.2043 64.4541 37.2390 178.4016 13 E 3.9539 8.5248 119.8493 59.2154 29.3546 179.3184 14 S 4.1645 7.9780 112.9907 61.3900 62.4509 176.2192 15 K 3.9627 8.0875 122.2770 59.4230 31.7961 178.4800 16 Q 3.9209 8.2330 120.1412 58.8841 28.9728 178.0905 17 K 3.8821 8.0012 120.6223 59.6432 32.2461 178.9058 18 K 4.0007 7.9222 118.1604 59.3460 31.8154 179.4203 19 I 3.6783 7.9771 120.2157 64.4804 37.0980 178.0803 20 E 3.9497 8.4249 119.6614 59.7570 29.4469 179.3215 21 N 4.3425 8.2699 116.2325 56.1430 38.4846 177.1219 22 E 3.8980 8.2632 120.6974 59.3830 29.7602 178.7699 23 I 3.6535 8.0522 119.9683 64.4606 37.1819 178.2866 24 A 3.9655 8.0486 121.4326 54.9760 18.1369 179.6040 25 R 3.7858 7.8274 116.7931 59.7453 30.2196 178.7731 26 I 3.6541 8.0345 119.8830 64.3516 36.9868 178.5721 27 K 3.9251 8.4268 119.6880 59.2263 31.8568 179.4369 28 K 3.7685 7.9957 118.6319 59.5999 32.0719 179.1477 29 L 3.8970 7.9698 119.1712 57.8700 41.4586 179.6137 30 L 3.9710 7.8145 121.3902 57.5446 42.0716 178.6434 31 Q 3.5963 7.9930 119.7295 59.1551 28.7987 178.4923 32 L 3.5897 7.4744 120.0638 57.6322 41.4373 179.5757 33 T 3.8569 7.7958 109.9428 64.6934 68.6149 176.8506 34 V 3.6036 8.0619 121.5528 65.4512 31.4751 177.9487 35 W 4.5636 8.2362 118.8284 59.9484 28.9673 178.6145 36 G 3.7527 8.5109 105.6598 47.9204 0.0000 175.6855 37 I 3.7546 7.9533 122.0855 64.2524 37.2033 178.7733 38 K 4.3005 8.3858 120.8954 58.8804 31.6981 179.4364 39 Q 4.0176 8.4897 118.7814 59.1319 28.6038 179.0229 40 L 4.0335 8.1272 119.8797 57.7229 41.0602 179.6166 41 Q 3.9675 8.3769 118.0201 59.0599 28.5065 178.8333 42 A 4.0749 7.9037 120.1887 54.6774 18.3797 179.3836 43 R 4.0414 7.4215 116.9686 59.5585 30.3846 178.3511 44 I 3.8432 7.9036 118.6871 63.7337 37.1476 176.1168 45 L 4.2671 7.7908 123.3387 54.8005 41.6471 176.2198 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 1.98 0.00 3.15 0.00 0.00 3.33 7.30 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 7.87 3.96 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 2.65 0.00 3 K 8.15 4.06 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 4 Q 8.06 3.94 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 I 7.73 3.69 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 0.88 0.91 0.00 0.00 6 E 8.40 3.99 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 2.46 0.00 7 D 8.30 4.35 0.00 2.91 2.88 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 0.00 0.00 0.00 8 K 8.20 3.92 0.00 1.97 1.94 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 I 7.82 3.67 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 1.40 0.69 0.93 0.00 0.00 10 E 8.15 4.18 0.00 2.05 2.13 0.00 0.00 0.00 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 2.21 0.00 11 E 8.42 3.99 0.00 2.19 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 2.59 0.00 12 I 8.04 3.74 1.98 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 8.52 3.95 0.00 1.99 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 2.33 2.53 0.00 14 S 7.98 4.16 0.00 3.92 4.10 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 0.00 0.00 0.00 0.00 15 K 8.09 3.96 0.00 1.92 1.78 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 8.23 3.92 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 17 K 8.00 3.88 0.00 1.92 2.00 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 18 K 7.92 4.00 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.67 7.81 19 I 7.98 3.68 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 1.51 0.83 0.90 0.00 0.00 20 E 8.42 3.95 0.00 2.16 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 2.54 0.00 21 N 8.27 4.34 0.00 2.91 2.86 0.00 0.00 6.69 7.05 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 22 E 8.26 3.90 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 2.29 2.38 0.00 23 I 8.05 3.65 2.02 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 0.58 0.89 0.00 0.00 24 A 8.05 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.79 0.00 2.04 2.10 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 26 I 8.03 3.65 2.02 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 1.50 0.72 0.88 0.00 0.00 27 K 8.43 3.93 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.62 7.81 28 K 8.00 3.77 0.00 1.90 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.71 7.81 29 L 7.97 3.90 0.00 1.62 1.68 0.89 0.50 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 30 L 7.81 3.97 0.00 1.95 1.68 0.88 0.42 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 31 Q 7.99 3.60 0.00 1.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 1.19 2.09 0.00 32 L 7.47 3.59 0.00 1.78 1.63 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.80 3.86 4.22 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 1.28 0.00 0.00 34 V 8.06 3.60 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 1.18 0.00 0.00 0.95 0.00 0.00 35 W 8.24 4.56 0.00 3.66 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.75 2.12 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 0.72 0.94 0.00 0.00 38 K 8.39 4.30 0.00 1.87 1.90 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.64 7.81 39 Q 8.49 4.02 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 40 L 8.13 4.03 0.00 1.86 1.73 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.38 3.97 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 42 A 7.90 4.07 1.36 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 0.00 0.00 0.00 43 R 7.42 4.04 0.00 1.92 2.12 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 44 I 7.90 3.84 1.95 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 0.67 0.91 0.00 0.00 45 L 7.79 4.27 0.00 1.71 1.57 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00