NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4856 8.1933 116.7947 58.0879 64.5591 174.4268 9 I 3.6079 8.0572 121.6519 63.8740 36.7323 177.1157 10 A 4.0253 8.7671 122.7516 55.3362 17.7240 179.2648 11 Q 3.9904 8.0525 115.6224 58.3893 28.8971 178.2114 12 A 4.3543 7.6818 121.3009 54.4154 19.3357 179.6742 13 R 3.9088 8.4416 117.0880 59.0078 30.2060 178.8726 14 K 3.9768 8.1387 119.6636 59.5405 31.9879 178.5837 15 L 3.9016 7.2771 117.1898 58.1808 42.0510 178.9208 16 V 3.5400 7.6177 117.9222 66.1200 31.5447 177.6771 17 E 3.9344 8.1633 118.2051 59.4717 29.2303 179.2520 18 Q 3.9386 7.9707 119.0674 59.3266 29.0950 178.2928 19 L 3.9699 8.6623 120.4116 57.4734 41.4774 179.4922 20 K 3.9651 8.3541 120.1786 59.4330 31.8920 178.4899 21 M 4.0029 7.6047 117.2965 58.8954 32.4793 177.8808 22 E 4.0932 8.5295 118.6122 59.1216 29.4023 178.8659 23 A 4.1459 7.7236 119.3735 53.8304 18.5982 177.9420 24 N 4.6838 7.4601 114.2740 52.6811 39.2949 174.7828 25 I 4.1434 6.6342 112.0985 60.4344 38.8514 174.8126 26 D 5.0012 8.2831 120.6226 51.7453 41.5565 175.8720 27 R 4.5773 8.1464 118.5841 54.3827 33.4208 175.6678 28 I 4.2206 8.1307 115.7787 59.6700 39.4820 175.5640 29 K 4.2997 8.1796 119.8633 55.5410 33.8457 178.2427 30 V 3.6573 8.5766 122.9164 66.3031 31.3167 178.5231 31 S 4.1146 8.0047 113.5032 61.3428 63.0097 176.3410 32 K 3.9584 7.9218 122.7430 58.7635 31.9198 178.3963 33 A 3.9508 8.4186 121.3260 55.1409 18.3847 179.3567 34 A 3.9166 8.3850 119.1607 55.4384 18.6315 179.3548 35 A 3.9573 7.7786 118.7073 55.9662 18.4348 179.6440 36 D 4.4102 8.0975 116.4180 57.0524 40.8733 179.0557 37 L 3.9968 7.7129 119.7904 58.1885 41.7335 179.1646 38 M 4.0275 8.2191 117.7325 58.6477 32.0400 178.1178 39 A 4.0355 8.0499 120.9045 55.0849 18.5109 179.0316 40 Y 3.8678 7.9424 117.7169 60.8821 39.0302 177.8255 41 C 4.1907 8.4512 117.7601 62.8515 28.0993 175.5502 42 E 3.8856 7.9395 119.1225 59.2339 29.2693 178.2636 43 A 4.0295 7.5340 119.2007 55.4441 18.7596 178.6126 44 H 4.9078 7.9595 113.1404 55.2652 28.4476 177.2333 45 A 4.0299 7.8516 124.5498 55.0117 17.9014 180.1360 46 K 4.0479 8.0664 115.7650 58.8705 32.3909 177.6128 47 E 4.2717 8.1625 117.7859 57.1762 30.7777 174.7449 48 D 4.4997 7.4463 115.2195 53.9706 40.5909 174.7980 49 P 4.9926 0.0000 0.0000 63.5489 31.5915 177.5382 50 L 4.3186 8.1677 117.6322 55.6323 42.0662 177.1614 51 L 4.5486 8.0519 116.9599 55.8573 43.8781 176.9230 52 T 4.4400 8.0014 118.4328 60.5246 67.7651 172.0394 53 P 4.6477 0.0000 0.0000 62.6792 32.1668 177.0447 54 V 4.3096 7.8327 112.8971 58.7527 34.0208 174.0708 55 P 4.3263 0.0000 0.0000 62.6637 32.0042 177.7384 56 A 4.0317 8.7655 124.9948 55.3869 18.5739 180.1894 57 S 4.1651 8.0830 109.7434 60.7626 63.2251 175.2307 58 E 4.1736 7.8810 118.7958 56.1284 29.8868 175.1543 59 N 4.7711 7.7411 119.4417 51.0524 39.5797 173.1416 60 P 4.1016 0.0000 0.0000 65.5455 31.3898 177.1552 61 F 4.8793 8.1552 114.2965 57.3652 38.5220 176.1235 62 R 4.5674 7.7019 118.0227 57.0809 32.5244 175.9825 63 E 4.6661 7.8161 113.5210 55.5354 32.5312 175.8322 64 K 4.0967 7.9535 120.1458 55.9446 32.8808 175.3566 65 K 4.4458 8.3278 125.4869 57.6056 33.9985 176.1828 66 F 4.7518 7.5604 112.0988 55.9333 39.1651 175.4064 67 F 4.2381 8.5982 120.7804 57.9030 39.8531 174.4865 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 8 S 8.19 4.49 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.06 3.61 1.87 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 1.57 0.68 0.91 0.00 0.00 10 A 8.77 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 3.99 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 12 A 7.68 4.35 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.44 3.91 0.00 1.91 1.99 0.00 3.23 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 14 K 8.14 3.98 0.00 1.95 1.99 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 15 L 7.28 3.90 0.00 1.79 1.81 0.92 0.85 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 16 V 7.62 3.54 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 1.05 0.00 0.00 0.97 0.00 0.00 17 E 8.16 3.93 0.00 2.28 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 2.39 0.00 18 Q 7.97 3.94 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 19 L 8.66 3.97 0.00 1.81 1.70 0.92 0.74 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 20 K 8.35 3.97 0.00 1.90 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 21 M 7.60 4.00 0.00 2.15 2.22 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 2.61 2.63 0.00 22 E 8.53 4.09 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 2.32 2.52 0.00 23 A 7.72 4.15 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.46 4.68 0.00 2.87 2.81 0.00 0.00 7.18 9.24 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 25 I 6.63 4.14 1.87 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 1.48 0.72 0.95 0.00 0.00 26 D 8.28 5.00 0.00 2.77 2.68 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 27 R 8.15 4.58 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 28 I 8.13 4.22 1.87 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 0.55 0.91 0.00 0.00 29 K 8.18 4.30 0.00 1.82 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.48 7.81 30 V 8.58 3.66 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 1.15 0.00 0.00 0.93 0.00 0.00 31 S 8.00 4.11 0.00 4.09 4.11 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 32 K 7.92 3.96 0.00 1.89 2.02 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.57 7.81 33 A 8.42 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.39 3.92 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 35 A 7.78 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.41 0.00 2.89 2.75 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 37 L 7.71 4.00 0.00 1.81 1.74 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.22 4.03 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 39 A 8.05 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 3.87 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 41 C 8.45 4.19 0.00 3.06 3.01 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 42 E 7.94 3.89 0.00 2.03 2.03 0.00 0.00 0.00 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 2.36 0.00 43 A 7.53 4.03 1.09 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 0.00 0.00 44 H 7.96 4.91 0.00 3.15 3.21 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.85 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.05 0.00 1.71 1.88 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 47 E 8.16 4.27 0.00 2.15 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 2.25 2.22 0.00 48 D 7.45 4.50 0.00 2.78 2.61 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 49 P 0.00 4.99 0.00 2.11 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 50 L 8.17 4.32 0.00 1.79 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.05 4.55 0.00 1.71 1.67 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.00 4.44 4.32 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 0.00 0.00 0.00 1.21 0.00 0.00 53 P 0.00 4.65 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.73 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 54 V 7.83 4.31 2.09 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 0.76 0.00 0.00 0.95 0.00 0.00 55 P 0.00 4.33 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 56 A 8.77 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.08 4.17 0.00 4.01 4.14 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 0.00 0.00 0.00 58 E 7.88 4.17 0.00 2.07 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 2.28 2.37 0.00 59 N 7.74 4.77 0.00 2.76 2.85 0.00 0.00 7.10 7.71 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 60 P 0.00 4.10 0.00 0.70 1.78 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 61 F 8.16 4.88 0.00 3.17 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 62 R 7.70 4.57 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 63 E 7.82 4.67 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 64 K 7.95 4.10 0.00 1.63 1.51 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.64 7.81 65 K 8.33 4.45 0.00 1.74 1.82 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.46 7.81 66 F 7.56 4.75 0.00 3.10 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 67 F 8.60 4.24 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00