NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3117 8.2493 123.5827 52.2144 19.8046 174.3730 3 K 4.5099 7.4246 120.0371 54.0711 36.2464 173.6942 4 H 4.2055 9.2561 121.3830 57.9956 30.5339 174.9555 5 P 4.4478 0.0000 0.0000 62.6372 32.6219 176.2090 6 V 4.4990 7.8924 120.4132 60.1051 34.6901 172.9233 7 P 4.3442 0.0000 0.0000 62.7397 31.5422 176.5759 8 K 4.1509 8.6301 123.7359 58.5367 32.6095 176.8140 9 K 4.6400 7.5374 115.9886 54.0700 36.0706 175.6523 10 K 3.9719 8.5487 123.6057 56.7895 32.6647 176.5005 11 T 4.1126 8.3552 123.0674 62.9175 69.1860 175.3877 12 S 4.2968 8.5451 121.5910 58.2879 64.9734 175.3972 13 K 3.9174 8.6986 122.6928 59.6654 31.7292 179.3976 14 A 3.9561 7.9025 120.4317 55.3422 18.2156 179.5708 15 R 3.8497 7.8662 115.6714 59.0005 30.3016 178.5008 16 R 4.0026 8.3698 119.2762 59.6345 30.2231 178.2702 17 D 4.3344 8.4834 118.8824 57.2789 40.6756 178.6757 18 A 4.0187 8.3055 121.5036 55.0356 18.0799 179.6507 19 R 3.9589 7.5598 116.3761 59.0322 30.4184 177.8723 20 R 3.9645 7.5911 116.5834 55.9040 29.9050 178.2182 21 S 4.3230 7.6755 115.4370 61.1833 62.6887 174.9447 22 H 4.7180 8.0306 115.9753 56.1262 29.1006 176.1768 23 H 4.2361 8.6557 117.0733 57.3030 28.7962 175.6308 24 A 3.9152 7.0327 122.3288 52.4676 18.6160 176.7057 25 L 4.3629 8.2954 123.3862 54.1705 43.3267 175.6288 26 T 4.4326 8.1661 119.5649 59.5602 68.4186 172.6298 27 P 4.3585 0.0000 0.0000 62.0210 31.9921 174.2506 28 P 4.3826 0.0000 0.0000 62.6358 31.8821 176.0745 29 T 4.1737 8.4318 112.6802 61.2589 69.5366 173.5959 30 L 4.9807 8.2652 124.8886 52.9352 45.8488 175.8897 31 V 4.6441 8.4002 112.9373 58.8986 36.2889 173.3388 32 P 4.5681 0.0000 0.0000 62.6708 32.1098 175.9738 33 C 4.3744 8.5022 125.1646 57.9320 31.6862 171.5908 34 P 4.2320 0.0000 0.0000 67.2722 30.3626 175.5173 35 E 4.5612 9.1697 126.5854 54.8423 26.5527 175.2826 36 C 4.2787 8.2618 113.7837 56.5486 29.8653 174.6298 37 K 3.9533 9.0772 121.3685 60.5064 32.4986 176.9261 38 A 3.8470 7.3358 121.9266 50.0333 19.3043 175.8925 39 M 5.2298 8.2830 120.8422 53.9077 34.8735 175.1423 40 K 4.7622 8.4834 118.9417 54.9132 36.5839 173.4897 41 P 5.0268 0.0000 0.0000 61.2608 32.4457 174.4520 42 P 4.2651 0.0000 0.0000 63.9998 31.7890 175.9667 43 H 3.9428 8.5723 113.4178 56.5383 26.3036 174.7375 44 T 4.5006 7.2375 107.2207 59.6389 71.1154 174.0963 45 V 3.9361 8.2100 123.5530 61.9548 31.0128 174.4370 46 C 4.6424 8.3715 128.4241 56.7127 32.7362 172.5434 47 P 4.1978 0.0000 0.0000 65.9540 31.1924 176.5158 48 E 4.2717 7.4394 120.0410 55.0888 28.0422 175.2876 49 C 4.1486 9.4398 110.1699 57.0009 29.5614 176.0926 50 G 3.9058 7.8568 109.3028 47.1652 0.0000 171.2368 51 Y 4.6509 8.7669 120.6537 58.0692 38.9771 177.4525 52 Y 4.3386 7.1639 113.5566 55.8983 40.3517 173.8163 53 A 4.3751 6.7045 132.4741 52.8967 23.1186 180.0583 54 G 4.0781 9.1656 113.6714 46.5390 0.0000 171.5082 55 R 4.3783 7.6648 123.8755 54.3675 34.0111 175.6429 56 K 4.2338 8.0102 122.1382 56.9969 31.6836 176.3207 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 2 A 8.25 4.31 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 3 K 7.42 4.51 0.00 1.91 1.80 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.30 1.64 7.81 4 H 9.26 4.21 0.00 3.12 3.14 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.45 0.00 2.08 1.95 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 6 V 7.89 4.50 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 0.84 0.00 0.00 1.03 0.00 0.00 7 P 0.00 4.34 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.63 4.15 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.54 4.64 0.00 1.72 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.55 3.97 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 T 8.36 4.11 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 12 S 8.55 4.30 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 13 K 8.70 3.92 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.90 3.96 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 15 R 7.87 3.85 0.00 1.83 1.96 0.00 3.27 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.37 4.00 0.00 1.87 2.12 0.00 3.14 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 1.61 1.65 0.00 17 D 8.48 4.33 0.00 2.74 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 18 A 8.31 4.02 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 19 R 7.56 3.96 0.00 1.88 2.17 0.00 3.25 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 R 7.59 3.96 0.00 1.93 1.73 0.00 3.14 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.62 0.00 21 S 7.68 4.32 0.00 3.83 4.04 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 0.00 0.00 0.00 22 H 8.03 4.72 0.00 3.26 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.66 4.24 0.00 3.23 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.03 3.92 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 25 L 8.30 4.36 0.00 1.62 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.17 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 1.21 0.00 0.00 27 P 0.00 4.36 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.38 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 29 T 8.43 4.17 4.25 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 0.00 0.00 1.21 0.00 0.00 30 L 8.27 4.98 0.00 1.60 1.56 0.92 0.94 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 V 8.40 4.64 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 0.78 0.00 0.00 0.99 0.00 0.00 32 P 0.00 4.57 0.00 1.94 1.99 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 33 C 8.50 4.37 0.00 3.02 3.14 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 34 P 0.00 4.23 0.00 2.26 2.14 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 35 E 9.17 4.56 0.00 2.01 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 2.05 1.91 0.00 36 C 8.26 4.28 0.00 3.13 3.28 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 37 K 9.08 3.95 0.00 1.88 2.00 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 A 7.34 3.85 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 39 M 8.28 5.23 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 40 K 8.48 4.76 0.00 1.81 1.86 0.00 1.34 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 41 P 0.00 5.03 0.00 2.10 2.10 0.00 3.38 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 42 P 0.00 4.27 0.00 2.25 2.21 0.00 3.97 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 2.13 2.02 0.00 43 H 8.57 3.94 0.00 3.32 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.24 4.50 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 1.21 0.00 0.00 45 V 8.21 3.94 2.10 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 0.90 0.00 0.00 0.91 0.00 0.00 46 C 8.37 4.64 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.20 0.00 2.22 2.23 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 48 E 7.44 4.27 0.00 1.99 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 2.35 2.25 0.00 49 C 9.44 4.15 0.00 3.15 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 50 G 7.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.77 4.65 0.00 2.90 2.30 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 52 Y 7.16 4.34 0.00 1.43 1.61 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 53 A 6.70 4.38 1.01 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 54 G 9.17 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.66 4.38 0.00 1.76 1.85 0.00 3.39 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 56 K 8.01 4.23 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81