NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4523 8.3049 120.3277 55.3533 33.5261 174.0193 2 K 4.5086 8.7240 118.5013 55.2517 35.0890 174.2645 3 K 5.2957 9.1604 121.2702 54.6397 36.5050 175.0222 4 W 5.4839 9.4890 122.3818 54.9421 33.3930 174.4623 5 V 4.8625 8.8947 124.0357 59.8899 33.6423 174.5875 6 C 3.4162 9.0984 125.8349 59.3028 31.8683 173.8274 7 T 4.0860 8.5095 116.9532 63.1823 68.5241 175.9909 8 V 3.9026 7.7725 122.1575 65.0209 32.0253 176.1264 9 C 4.6329 8.0383 109.9295 57.2870 30.7152 174.6322 10 G 3.9346 8.4558 109.1916 45.0793 0.0000 173.1730 11 Y 4.2578 7.8881 121.3259 58.3737 39.9802 174.9206 12 I 4.7636 7.5563 126.7923 59.9114 38.6107 174.6562 13 Y 4.3933 9.3394 130.4641 57.2316 39.9810 173.6499 14 D 4.7407 7.9529 127.4660 52.4830 42.4241 176.2761 15 E 3.9196 9.0087 127.3960 59.7695 30.0157 179.7577 16 D 4.2358 8.3879 118.3615 56.8589 41.0713 177.4360 17 A 4.1713 7.8847 121.2527 52.0859 19.8392 179.3056 18 G 3.9137 7.6389 104.2738 46.2986 0.0000 174.8766 19 D 4.9754 8.5871 111.6441 53.0694 42.9128 174.8901 20 P 4.4723 0.0000 0.0000 65.6596 32.1724 179.2859 21 D 4.4743 8.2526 117.7063 56.4793 40.8300 176.5573 22 N 4.8669 8.3536 115.5876 52.9351 38.8981 175.4945 23 G 3.8868 8.4592 105.5305 45.3697 0.0000 173.8988 24 I 4.3493 7.4495 121.0436 58.8366 38.3457 175.4621 25 S 4.4856 8.4163 120.5595 57.1599 63.6121 172.0353 26 P 4.1905 0.0000 0.0000 64.7411 31.4481 176.8690 27 G 3.8886 9.0112 110.1706 45.6526 0.0000 173.4695 28 T 4.1402 7.3567 117.0633 62.3506 68.7723 175.0589 29 K 4.3326 8.5105 126.4022 56.2050 33.1434 177.6581 30 F 3.2163 9.4875 124.8817 61.4047 38.7597 177.4268 31 E 3.8072 8.1178 116.9550 58.5565 29.4614 177.4289 32 E 4.2738 7.6447 116.1929 54.9528 30.3372 176.2907 33 L 3.6703 6.5378 119.9876 53.6688 42.2974 175.4625 34 P 4.2956 0.0000 0.0000 62.7316 31.8741 177.2509 35 D 4.2835 8.6949 120.9529 56.8771 40.8454 177.3087 36 D 4.8440 7.8012 115.8619 52.3896 39.7278 176.0420 37 W 4.1022 7.9919 129.8242 58.0147 31.0806 175.4435 38 V 4.2548 6.5081 116.3003 58.6868 35.3125 174.9085 39 C 3.7787 8.6811 122.0072 59.2789 31.5084 172.8799 40 P 4.1723 0.0000 0.0000 64.2063 31.4312 176.7711 41 L 4.3743 7.5284 118.3002 55.7210 42.8441 176.7763 42 C 4.5436 7.8704 109.5752 57.0462 31.0608 174.7819 43 G 3.7763 8.1618 108.5852 45.5029 0.0000 174.1114 44 V 3.8628 7.3628 119.4020 60.8663 32.6302 175.8956 45 G 4.2662 8.2813 109.9993 44.0940 0.0000 174.8024 46 K 4.3229 8.7545 117.7349 59.7104 32.0198 179.3858 47 D 4.6351 8.3086 117.0841 56.8005 41.0001 176.8197 48 Q 4.5001 8.5947 117.4176 55.8749 29.0716 174.7346 49 F 5.2324 8.5135 117.5185 56.2497 40.8301 175.1526 50 E 4.8317 9.1227 121.7200 54.1237 32.7174 175.4175 51 K 3.1270 7.9816 125.5417 55.6750 32.7319 176.4751 52 L 4.1037 8.2380 127.9806 54.6416 42.4807 177.1670 53 E 4.1393 8.3922 120.7233 56.5606 30.1475 175.9099 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 M 8.30 4.45 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 2 K 8.72 4.51 0.00 2.16 1.65 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.70 7.81 3 K 9.16 5.30 0.00 1.63 1.67 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 W 9.49 5.48 0.00 3.34 3.08 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 5 V 8.89 4.86 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 0.83 0.00 0.00 0.97 0.00 0.00 6 C 9.10 3.42 0.00 2.60 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 7 T 8.51 4.09 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 1.23 0.00 0.00 8 V 7.77 3.90 2.04 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 0.92 0.00 0.00 0.91 0.00 0.00 9 C 8.04 4.63 0.00 3.11 2.99 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 10 G 8.46 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.26 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.76 1.69 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 1.30 0.94 0.87 0.00 0.00 13 Y 9.34 4.39 0.00 3.52 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 14 D 7.95 4.74 0.00 2.62 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 3.92 0.00 2.08 2.05 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 2.80 2.69 0.00 16 D 8.39 4.24 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.88 4.17 1.26 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 18 G 7.64 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 19 D 8.59 4.98 0.00 3.17 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 20 P 0.00 4.47 0.00 2.29 2.33 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 21 D 8.25 4.47 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 4.87 0.00 3.01 2.82 0.00 0.00 7.67 7.02 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 23 G 8.46 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 0.00 0.00 0.00 24 I 7.45 4.35 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.92 0.89 0.00 0.00 25 S 8.42 4.49 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.06 2.21 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 27 G 9.01 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 0.00 0.00 0.00 28 T 7.36 4.14 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 1.07 0.00 0.00 29 K 8.51 4.33 0.00 1.80 1.78 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.46 7.81 30 F 9.49 3.22 0.00 2.05 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 0.00 0.00 0.00 31 E 8.12 3.81 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 32 E 7.64 4.27 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 33 L 6.54 3.67 0.00 0.76 0.79 -1.76 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.28 1.95 0.00 3.48 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 2.11 2.06 0.00 35 D 8.69 4.28 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.84 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 37 W 7.99 4.10 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.51 4.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.61 0.00 0.00 39 C 8.68 3.78 0.00 3.21 2.89 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 40 P 0.00 4.17 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.74 0.00 41 L 7.53 4.37 0.00 1.61 1.72 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.87 4.54 0.00 3.02 2.99 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 43 G 8.16 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.36 3.86 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 0.99 0.00 0.00 0.96 0.00 0.00 45 G 8.28 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.32 0.00 1.86 1.92 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.50 7.81 47 D 8.31 4.64 0.00 2.77 2.84 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 0.00 0.00 0.00 48 Q 8.59 4.50 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 49 F 8.51 5.23 0.00 3.24 3.09 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 50 E 9.12 4.83 0.00 1.83 1.75 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 2.25 2.36 0.00 51 K 7.98 3.13 0.00 0.79 0.97 0.00 1.30 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.73 0.21 7.81 52 L 8.24 4.10 0.00 1.51 1.47 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.39 4.14 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00