NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5910 8.2233 120.1921 54.0509 42.6885 175.5921 10 E 3.7071 8.9000 127.1207 59.4148 29.4009 177.8786 11 D 4.3943 8.3946 118.4451 57.4928 41.3949 178.3517 12 L 3.0840 7.4834 120.0852 57.8465 41.9929 178.7621 13 L 3.8893 7.5447 118.4823 57.8592 41.6429 179.4839 14 K 3.8577 8.0111 119.0595 59.4157 32.0887 178.6563 15 A 3.9452 7.9789 121.1500 55.0712 18.2058 179.8587 16 V 3.4922 7.7976 116.7703 66.2834 31.7321 178.2406 17 R 3.9397 8.1154 117.9662 59.3729 29.8782 178.8520 18 L 4.0753 7.9586 119.8212 58.2333 42.1698 179.0065 19 I 3.7184 7.9457 119.8498 64.1518 36.9614 178.1581 20 K 4.0372 8.5047 120.8629 59.7641 31.9974 178.4028 21 F 4.4258 8.2696 120.5836 61.5817 39.0115 177.0668 22 L 3.7749 7.8655 117.4013 57.3131 41.4400 178.4904 23 Y 4.3014 7.7021 116.4366 60.5156 37.8427 177.8250 24 Q 4.0849 8.1933 118.4337 58.2465 29.1853 177.6088 25 S 4.1584 7.3768 114.5855 58.9515 64.0029 173.4963 26 N 4.2473 8.4715 117.8884 53.9508 35.5154 171.4337 27 P 5.0581 0.0000 0.0000 60.7522 34.5767 174.3389 28 P 3.2647 0.0000 0.0000 62.1160 32.9491 175.1385 29 P 4.2238 0.0000 0.0000 65.0240 29.3916 175.7458 30 N 4.7341 8.9830 109.0502 53.0006 41.4363 172.1731 31 P 4.7395 0.0000 0.0000 61.4274 33.1936 174.9705 32 E 4.6105 8.4788 119.5868 54.4920 32.7412 175.3525 33 G 4.0126 8.5444 112.8774 44.5435 0.0000 173.2231 34 T 4.2414 8.2250 110.7729 60.3199 71.3695 172.5483 35 R 3.9248 8.6397 124.2709 57.7964 30.1344 178.2062 36 Q 3.5929 8.9265 120.5994 57.3138 28.0506 175.5737 37 A 4.2201 8.0033 118.4697 54.0917 18.7731 179.3983 38 R 3.9778 8.1966 118.1258 59.7472 29.9301 178.7402 39 R 4.0752 7.9117 116.4485 58.1794 30.0025 178.2546 40 N 4.3381 7.6761 116.5458 56.7719 38.9494 176.8797 41 R 4.1154 7.7150 118.2292 58.3921 30.1641 179.1517 42 R 4.0362 7.8859 118.0895 59.3860 30.2113 178.6125 43 R 3.9403 7.6555 117.2857 59.4370 30.1239 179.0727 44 R 3.8714 7.7045 118.1504 59.3968 30.1250 178.4707 45 W 4.0108 8.9350 128.5790 60.0997 30.6489 178.2911 46 R 3.8770 8.7486 118.6088 59.2385 29.6493 178.4453 47 E 3.8602 8.0795 118.3044 59.6463 29.5494 179.6593 48 R 3.6769 7.7419 118.2196 59.4469 30.0893 178.3738 49 Q 3.5636 7.5737 119.4664 58.9533 28.7957 178.0708 50 R 3.8863 8.3694 119.5119 59.4513 30.0560 178.5250 51 Q 3.9379 7.9279 119.1843 59.0027 29.0491 177.8837 52 I 3.4321 7.6337 120.5677 64.8559 37.1123 177.4124 53 H 4.2032 8.7451 120.5563 58.9081 29.6647 177.3264 54 S 4.1485 7.9601 115.7746 61.3844 62.7572 176.5298 55 I 3.6641 7.8168 123.2805 64.3069 36.8239 178.4583 56 S 4.1084 8.1393 116.0319 61.5636 62.7027 176.0274 57 E 3.9318 8.3171 122.0178 59.7120 28.9050 179.2543 58 R 4.0137 8.0069 118.7677 58.8048 29.9800 179.0882 59 I 3.8591 7.9504 118.5597 64.5210 37.4415 178.2810 60 L 4.3104 8.3985 120.2811 57.8659 41.2249 179.4558 61 S 4.3899 8.2889 114.4727 61.8480 62.3518 176.5157 62 T 4.0851 7.5843 110.5142 63.6540 68.6122 174.6147 63 Y 4.5455 8.1943 118.8741 57.6092 37.5601 175.6468 64 L 4.6086 7.1548 116.2775 54.1417 44.7657 176.9485 65 G 3.7518 8.1659 114.6934 45.9799 0.0000 173.2781 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 D 8.22 4.59 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 3.71 0.00 2.19 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 2.42 2.53 0.00 11 D 8.39 4.39 0.00 3.10 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 12 L 7.48 3.08 0.00 1.37 1.71 0.44 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.54 3.89 0.00 1.84 1.68 0.91 1.30 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 14 K 8.01 3.86 0.00 2.01 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 A 7.98 3.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.80 3.49 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 1.10 0.00 0.00 0.86 0.00 0.00 17 R 8.12 3.94 0.00 2.11 1.99 0.00 3.24 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 L 7.96 4.08 0.00 1.89 1.96 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.95 3.72 2.05 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 1.42 0.90 1.09 0.00 0.00 20 K 8.50 4.04 0.00 2.11 1.92 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.50 7.81 21 F 8.27 4.43 0.00 3.17 3.30 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 22 L 7.87 3.77 0.00 1.68 1.42 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.70 4.30 0.00 3.19 2.95 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 0.00 0.00 0.00 24 Q 8.19 4.08 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 25 S 7.38 4.16 0.00 3.42 3.52 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 0.00 0.00 0.00 0.00 26 N 8.47 4.25 0.00 2.80 2.87 0.00 0.00 6.94 8.02 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 27 P 0.00 5.06 0.00 2.19 2.30 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 28 P 0.00 3.26 0.00 1.90 1.66 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 29 P 0.00 4.22 0.00 2.11 1.57 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 30 N 8.98 4.73 0.00 2.75 2.78 0.00 0.00 6.76 8.02 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 31 P 0.00 4.74 0.00 2.13 1.97 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 32 E 8.48 4.61 0.00 1.91 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 2.18 2.25 0.00 33 G 8.54 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 0.00 0.00 0.00 34 T 8.23 4.24 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 35 R 8.64 3.92 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 36 Q 8.93 3.59 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 37 A 8.00 4.22 1.29 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 0.00 0.00 0.00 38 R 8.20 3.98 0.00 2.08 1.93 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 39 R 7.91 4.08 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 40 N 7.68 4.34 0.00 3.03 2.98 0.00 0.00 7.05 7.53 0.00 0.00 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 R 7.72 4.12 0.00 2.06 2.01 0.00 3.19 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 R 7.89 4.04 0.00 2.11 2.04 0.00 3.16 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 43 R 7.66 3.94 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 44 R 7.70 3.87 0.00 1.87 2.19 0.00 3.12 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 1.68 1.66 0.00 45 W 8.94 4.01 0.00 3.54 3.29 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 0.00 46 R 8.75 3.88 0.00 2.09 1.97 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 47 E 8.08 3.86 0.00 2.24 1.97 0.00 0.00 0.00 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 2.38 0.00 48 R 7.74 3.68 0.00 1.85 1.67 0.00 2.98 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 49 Q 7.57 3.56 0.00 1.11 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.01 1.77 0.00 50 R 8.37 3.89 0.00 1.99 1.92 0.00 3.17 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 51 Q 7.93 3.94 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 52 I 7.63 3.43 1.37 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.29 -0.07 0.00 0.00 53 H 8.75 4.20 0.00 3.43 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.96 4.15 0.00 4.05 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 55 I 7.82 3.66 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.88 0.00 0.00 56 S 8.14 4.11 0.00 4.04 3.99 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 0.00 0.00 0.00 57 E 8.32 3.93 0.00 2.29 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 0.00 2.34 2.41 0.00 58 R 8.01 4.01 0.00 2.18 1.97 0.00 3.20 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 59 I 7.95 3.86 1.94 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 1.57 0.75 1.08 0.00 0.00 60 L 8.40 4.31 0.00 1.80 1.76 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.29 4.39 0.00 4.08 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 0.00 62 T 7.58 4.09 4.03 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 0.00 0.00 1.26 0.00 0.00 63 Y 8.19 4.55 0.00 3.08 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 64 L 7.15 4.61 0.00 1.65 1.49 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.17 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