NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5722 8.2893 120.3264 55.1863 34.2185 175.1557 2 K 4.3754 8.0940 121.5811 55.7172 33.9030 173.8341 3 A 3.5304 8.8152 120.5886 53.4282 17.7010 179.3285 4 K 4.5454 8.4968 117.6560 57.3102 33.2485 177.8485 5 E 3.9936 8.3362 117.4396 57.8389 29.1472 179.1183 6 L 4.3657 8.4459 123.9577 55.0426 41.1038 178.3038 7 R 4.4787 7.5660 121.6389 54.7071 29.5464 176.9736 8 E 5.4369 7.5981 119.5459 55.8248 29.7141 176.5652 9 K 3.8146 7.6375 122.6623 57.1892 32.1345 177.5806 10 S 4.3508 8.6694 123.5301 61.1939 63.0062 175.7702 11 V 3.9339 6.8632 119.9946 61.2490 29.6099 176.3034 12 E 4.3011 8.1320 134.7760 56.9232 29.2776 177.8539 13 E 5.2042 7.5751 117.1947 55.2994 29.3619 177.5942 14 L 4.7650 7.7962 114.8063 53.8715 42.8065 178.4051 15 N 4.4204 7.5959 116.7941 55.3636 36.9848 175.0512 16 T 3.2011 8.7074 106.8876 66.9635 68.6071 174.7511 17 E 4.1981 9.8191 119.3456 56.9986 29.0778 178.0203 18 L 4.4923 7.7238 119.4749 57.0721 42.7757 178.7316 19 L 3.7303 7.9150 119.1617 57.3627 41.5061 178.6027 20 N 4.3085 8.8290 117.5598 56.6912 38.4121 176.6995 21 L 4.3861 7.0877 115.6524 55.2299 42.0597 178.3724 22 L 3.7037 8.5369 123.2167 58.4566 41.9690 179.8935 23 R 4.0233 7.6411 119.0111 58.9045 30.6653 177.4891 24 E 4.1940 8.2580 116.9662 58.3881 30.0636 177.6980 25 Q 3.9726 8.0278 119.6969 58.2651 30.9705 179.0867 26 F 3.7039 7.3560 108.4554 58.0621 41.6105 177.8591 27 N 4.7732 5.8993 129.0855 53.8035 38.1533 179.1716 28 L 4.1613 8.7403 122.8005 59.4756 42.3743 176.1093 29 R 3.9115 8.1659 120.3439 59.4533 29.9241 176.2167 30 M 4.2269 8.2046 114.3307 54.5873 31.6798 175.5017 31 Q 3.7672 8.9006 116.9025 57.3449 28.8556 181.0831 32 A 3.2409 8.2895 117.4582 53.5514 20.4138 175.5339 33 A 3.9494 7.8504 126.5623 50.5644 18.2267 174.9648 34 S 5.6822 9.0026 122.3348 58.7420 64.7121 177.5583 35 G 3.9958 8.9351 120.5549 44.8642 0.0000 172.4579 36 Q 3.4796 7.2840 112.7103 58.8699 29.3952 178.1657 37 L 4.4217 8.9180 120.5761 55.4927 43.3215 177.9188 38 Q 3.5244 7.7929 110.7167 60.0596 27.8866 177.6882 39 Q 4.4578 7.9071 122.1687 54.0299 32.0605 174.6328 40 S 4.7560 7.9181 125.3813 57.9732 60.9734 178.2505 41 H 4.0059 8.2001 105.5324 57.1783 25.5358 174.8961 42 L 4.7101 7.4660 134.1008 52.0936 42.5128 179.3683 43 L 3.5753 8.7316 127.2891 57.0531 40.6404 176.3926 44 K 4.5738 9.1898 121.0264 57.8822 32.2358 177.7416 45 Q 4.4896 8.0903 118.6362 56.8863 31.4360 176.1622 46 V 4.4865 7.3000 115.3796 64.3176 37.3069 175.8304 47 R 4.0708 8.0618 115.9946 57.0944 29.6986 177.0898 48 R 3.5540 8.5776 115.7801 59.9944 29.9978 175.6064 49 D 4.4317 6.9228 115.4806 54.1721 41.1829 180.3451 50 V 3.5433 11.1300 119.9418 67.6622 30.7716 176.3694 51 A 3.9056 8.1692 119.0556 56.0270 18.1193 179.1621 52 R 3.7078 8.0490 113.9153 59.5216 30.3623 178.7125 53 V 3.5493 7.7572 117.4421 66.3221 31.5400 178.4601 54 K 3.9252 8.1117 118.7687 60.1987 31.8359 178.1860 55 T 3.7936 9.2307 115.7038 67.2315 68.2397 175.8640 56 L 3.6722 8.2364 119.5422 58.4031 41.3244 179.4403 57 L 3.9334 7.9973 119.2467 58.5412 41.7682 178.8552 58 N 4.5553 8.2101 116.1458 55.9247 39.2670 175.7168 59 E 4.5833 7.7287 118.1149 56.2410 30.5837 176.9402 60 K 4.4750 7.6272 118.4417 56.3631 32.1267 176.2431 61 A 4.6974 7.3120 119.6143 51.7835 19.7913 178.3060 62 G 4.2054 7.7512 103.8002 45.6159 0.0000 174.0252 63 A 4.1887 7.5151 124.1439 52.4632 19.3062 176.3544 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 8.29 4.57 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 K 8.09 4.38 0.00 2.06 1.60 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.56 7.81 3 A 8.82 3.53 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 4 K 8.50 4.55 0.00 1.72 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 5 E 8.34 3.99 0.00 1.97 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 2.31 2.39 0.00 6 L 8.45 4.37 0.00 1.71 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.57 4.48 0.00 1.80 1.92 0.00 3.46 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 8 E 7.60 5.44 0.00 2.07 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 2.02 2.07 0.00 9 K 7.64 3.81 0.00 1.81 1.77 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.43 7.81 10 S 8.67 4.35 0.00 3.90 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 11 V 6.86 3.93 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 0.68 0.00 0.00 0.93 0.00 0.00 12 E 8.13 4.30 0.00 1.96 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 2.31 2.50 0.00 13 E 7.58 5.20 0.00 1.99 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 2.33 2.22 0.00 14 L 7.80 4.77 0.00 1.61 1.68 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.60 4.42 0.00 2.87 3.03 0.00 0.00 7.20 7.10 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 16 T 8.71 3.20 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 1.26 0.00 0.00 17 E 9.82 4.20 0.00 2.17 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 2.33 2.30 0.00 18 L 7.72 4.49 0.00 1.68 1.81 0.90 0.25 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 19 L 7.92 3.73 0.00 1.73 1.81 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.83 4.31 0.00 2.93 2.91 0.00 0.00 7.13 6.62 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 21 L 7.09 4.39 0.00 1.46 1.66 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.54 3.70 0.00 1.35 0.13 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.64 4.02 0.00 2.22 1.90 0.00 3.27 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 24 E 8.26 4.19 0.00 2.19 2.18 0.00 0.00 0.00 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 2.19 0.00 25 Q 8.03 3.97 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 26 F 7.36 3.70 0.00 3.25 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 27 N 5.90 4.77 0.00 2.98 2.00 0.00 0.00 7.45 6.62 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 28 L 8.74 4.16 0.00 1.89 2.07 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.17 3.91 0.00 1.84 2.23 0.00 3.28 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 30 M 8.20 4.23 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 31 Q 8.90 3.77 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 32 A 8.29 3.24 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 33 A 7.85 3.95 1.30 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 0.00 0.00 34 S 9.00 5.68 0.00 3.92 3.88 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 35 G 8.94 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 0.00 0.00 0.00 36 Q 7.28 3.48 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 37 L 8.92 4.42 0.00 1.55 1.74 0.92 0.95 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 38 Q 7.79 3.52 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.06 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 39 Q 7.91 4.46 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 40 S 7.92 4.76 0.00 4.19 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 41 H 8.20 4.01 0.00 3.22 3.80 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.47 4.71 0.00 1.87 1.19 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.73 3.58 0.00 1.85 1.14 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.19 4.57 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.40 7.81 45 Q 8.09 4.49 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 46 V 7.30 4.49 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 0.92 0.00 0.00 0.93 0.00 0.00 47 R 8.06 4.07 0.00 1.78 1.93 0.00 3.38 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 48 R 8.58 3.55 0.00 1.86 1.85 0.00 3.18 0.00 0.00 3.21 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 49 D 6.92 4.43 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 11.13 3.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 51 A 8.17 3.91 1.32 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 0.00 0.00 0.00 52 R 8.05 3.71 0.00 1.97 1.98 0.00 3.17 0.00 0.00 3.26 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 53 V 7.76 3.55 2.31 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 1.06 0.00 0.00 0.92 0.00 0.00 54 K 8.11 3.93 0.00 1.91 1.89 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.52 7.81 55 T 9.23 3.79 4.36 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 1.28 0.00 0.00 56 L 8.24 3.67 0.00 1.95 1.72 0.93 0.30 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 57 L 8.00 3.93 0.00 2.04 1.68 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.21 4.56 0.00 3.00 2.83 0.00 0.00 7.12 8.24 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 59 E 7.73 4.58 0.00 2.12 1.94 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 2.23 2.32 0.00 60 K 7.63 4.47 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 61 A 7.31 4.70 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 62 G 7.75 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.52 4.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00