NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4277 8.3231 116.7948 58.1315 64.4744 174.0998 23 G 3.9821 7.6258 104.2903 45.0382 0.0000 172.1519 24 L 4.5570 8.1824 126.9949 52.6456 41.6351 173.6360 25 G 4.2573 7.9459 109.5200 45.8578 0.0000 172.2769 26 E 3.7119 8.2538 119.3814 55.7485 27.3908 174.5139 27 A 4.6952 7.1639 119.0476 51.4335 26.3000 179.4547 28 G 3.9191 8.1538 106.7004 45.6982 0.0000 173.8783 29 M 4.6508 8.3122 113.9655 55.6566 32.6677 177.6776 30 S 4.2523 7.9630 116.0872 61.8018 62.6856 175.8845 31 A 4.1913 8.0631 124.7180 54.8590 18.3046 179.5039 32 W 4.1016 7.8362 126.0370 60.7042 30.8429 177.8628 33 L 3.9025 8.1569 117.4096 56.5065 40.7039 179.1754 34 R 4.2383 7.9873 119.5554 57.9190 29.8381 178.2902 35 A 4.1347 7.5344 120.1105 53.6542 18.4091 177.7530 36 I 4.1643 7.1905 107.6564 59.3633 39.3430 175.0041 37 G 3.7620 7.5979 107.4995 46.8713 0.0000 173.7336 38 L 4.8339 8.2946 115.4365 53.6753 43.1646 177.5240 39 E 4.2095 8.3792 117.3233 58.3750 29.1910 178.1652 40 R 3.9979 8.0290 118.2289 58.8048 30.3982 177.1026 41 Y 4.3762 7.9461 114.9517 58.0952 38.2640 176.5558 42 E 3.9613 8.4941 121.7855 60.0659 29.7031 178.2764 43 E 4.3290 8.3677 118.6784 59.2577 29.4707 179.2791 44 G 3.7641 8.0369 105.2800 47.2091 0.0000 174.8857 45 L 4.8244 7.8895 119.5816 55.9678 42.3665 178.9175 46 V 3.7959 8.3423 118.3377 65.5630 31.4957 175.8904 47 H 4.6344 7.9799 116.0318 56.0306 30.0023 174.7870 48 N 4.8429 8.0400 115.8281 53.2376 40.8211 174.3921 49 G 3.4471 7.6232 107.0095 45.9055 0.0000 174.1695 50 W 5.0243 8.5854 118.0457 55.6194 30.5851 177.3387 51 D 4.2908 8.2972 119.1091 56.1538 38.8110 176.8300 52 D 4.6037 7.6812 119.8603 53.1287 40.9129 176.6646 53 L 3.7291 8.5180 126.3129 57.7645 41.3187 179.5232 54 E 3.9299 8.0112 117.3158 59.3763 29.7762 178.6305 55 F 4.0336 8.2040 120.1909 61.0584 39.6675 176.8338 56 L 4.2953 8.6498 120.4795 57.7998 41.5595 178.6623 57 S 4.2468 7.6662 112.9924 60.0246 63.0432 174.0168 58 D 4.7403 7.9849 120.6578 53.3706 41.9417 175.7313 59 I 3.4501 7.2441 118.6417 62.4665 38.1932 175.5802 60 T 4.4346 7.6608 115.7944 60.3758 70.9725 174.2059 61 E 4.0943 8.5392 119.3591 59.4381 30.0604 178.9785 62 E 4.0410 8.0449 117.2943 58.4678 30.1424 178.4496 63 D 4.6427 7.9196 119.0873 56.9952 40.6398 178.5597 64 L 3.8628 7.4123 119.7881 57.4910 41.6253 179.1695 65 E 4.0691 7.7690 117.6775 58.5727 29.2833 178.9898 66 E 4.1307 7.9172 118.7358 58.4594 29.6122 177.2906 67 A 4.9050 7.1628 118.5500 51.1072 19.4653 177.4288 68 G 4.1997 7.8871 103.7015 45.4366 0.0000 175.3020 69 V 3.5532 8.0132 122.4110 61.5819 29.7286 175.9137 70 Q 4.4446 7.6883 117.2294 56.1070 30.0018 176.1910 71 D 5.0264 7.6466 116.8969 51.5961 44.8810 174.9963 72 P 4.1407 0.0000 0.0000 66.2714 31.7600 178.8680 73 A 4.0582 7.8490 120.3291 54.2702 18.1897 178.8514 74 H 4.4200 7.9391 114.4353 58.3556 29.2671 177.7746 75 K 3.9300 8.2060 120.6420 59.1766 31.3964 179.1862 76 R 4.0679 8.0698 118.5340 58.2593 29.9054 178.3690 77 L 3.8780 7.2987 119.8176 58.1281 42.1963 178.3799 78 L 3.9138 7.4484 119.0207 58.0963 41.1688 179.3999 79 L 3.9861 7.4079 117.5429 58.2515 41.4546 179.3376 80 D 4.1448 7.7339 116.6482 57.4459 41.1802 178.2259 81 T 3.8224 8.1802 116.2157 65.5858 68.0886 176.7611 82 L 4.3979 7.9788 121.8058 58.2166 41.5928 179.4443 83 Q 4.0730 7.5832 116.5354 58.6660 28.6536 178.1648 84 L 4.0918 7.6157 121.3972 57.3460 42.1755 178.0624 85 S 4.7188 8.0464 111.2239 57.5336 62.8247 174.2551 86 K 4.2401 7.6702 124.0473 56.4721 32.5489 175.0577 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 22 S 8.32 4.43 0.00 3.87 3.95 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 23 G 7.63 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.18 4.56 0.00 1.64 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.95 4.26 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 0.00 26 E 8.25 3.71 0.00 2.09 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 2.20 2.36 0.00 27 A 7.16 4.70 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 29 M 8.31 4.65 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 30 S 7.96 4.25 0.00 3.97 3.89 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 0.00 0.00 0.00 31 A 8.06 4.19 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 32 W 7.84 4.10 0.00 3.49 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.16 3.90 0.00 2.00 1.71 1.24 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.99 4.24 0.00 1.98 1.96 0.00 3.38 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 35 A 7.53 4.13 1.11 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 0.00 0.00 36 I 7.19 4.16 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.71 0.71 0.00 0.00 37 G 7.60 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.83 0.00 1.54 1.53 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.38 4.21 0.00 2.25 2.23 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 2.37 2.36 0.00 40 R 8.03 4.00 0.00 1.67 1.91 0.00 3.14 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 41 Y 7.95 4.38 0.00 3.19 2.97 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 0.00 0.00 0.00 42 E 8.49 3.96 0.00 2.17 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 2.43 2.60 0.00 43 E 8.37 4.33 0.00 2.15 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 2.42 2.52 0.00 44 G 8.04 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.82 0.00 1.97 2.06 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.34 3.80 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 47 H 7.98 4.63 0.00 3.40 3.28 0.00 5.75 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.04 4.84 0.00 3.15 2.83 0.00 0.00 7.20 8.20 0.00 0.00 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 G 7.62 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.59 5.02 0.00 3.45 3.10 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 51 D 8.30 4.29 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.68 4.60 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.52 3.73 0.00 1.56 1.53 0.84 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.01 3.93 0.00 1.97 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 2.30 2.35 0.00 55 F 8.20 4.03 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.65 4.30 0.00 2.07 1.46 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.67 4.25 0.00 3.97 4.05 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 58 D 7.98 4.74 0.00 2.45 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.24 3.45 1.18 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.68 0.00 0.00 60 T 7.66 4.43 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 1.25 0.00 0.00 61 E 8.54 4.09 0.00 2.03 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 2.36 2.29 0.00 62 E 8.04 4.04 0.00 2.05 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 2.40 2.33 0.00 63 D 7.92 4.64 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.41 3.86 0.00 1.69 1.55 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.77 4.07 0.00 2.53 2.21 0.00 0.00 0.00 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 2.44 0.00 66 E 7.92 4.13 0.00 2.34 2.25 0.00 0.00 0.00 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 2.43 0.00 67 A 7.16 4.90 1.52 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 0.00 0.00 68 G 7.89 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.01 3.55 1.88 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 0.49 0.00 0.00 0.59 0.00 0.00 70 Q 7.69 4.44 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 71 D 7.65 5.03 0.00 2.68 2.26 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 72 P 0.00 4.14 0.00 2.23 2.27 0.00 3.61 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 2.02 1.99 0.00 73 A 7.85 4.06 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 74 H 7.94 4.42 0.00 3.03 3.03 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.21 3.93 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.58 7.81 76 R 8.07 4.07 0.00 1.91 1.95 0.00 3.12 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 77 L 7.30 3.88 0.00 2.09 1.56 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.45 3.91 0.00 1.62 1.72 0.84 0.67 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 79 L 7.41 3.99 0.00 1.82 1.73 0.92 0.98 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 80 D 7.73 4.14 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.18 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 82 L 7.98 4.40 0.00 2.00 1.80 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.58 4.07 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 84 L 7.62 4.09 0.00 1.75 1.80 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.05 4.72 0.00 4.08 4.33 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 86 K 7.67 4.24 0.00 1.94 1.78 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.39 7.81