NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3814 8.3044 120.3279 55.2160 32.9658 175.1787 2 K 4.1889 8.3308 122.7136 54.9210 33.2280 175.4708 3 R 4.2219 8.2032 125.1580 55.9104 31.8910 178.0202 4 T 4.4586 8.1059 110.4250 60.8491 67.9452 172.9955 5 F 4.2535 8.3930 135.0000 58.0999 45.8621 172.9072 6 Q 3.7127 10.0609 129.9214 54.8700 26.7284 170.6773 7 P 5.0281 0.0000 0.0000 61.4068 33.4035 175.3866 8 S 4.7044 8.0861 113.4629 56.2118 65.7319 174.6890 9 V 4.0254 8.1753 116.7993 63.8008 31.4795 178.3121 10 L 3.9687 7.8309 119.4662 57.7360 40.2856 177.7853 11 K 4.2079 7.5666 119.8887 58.1436 33.4025 177.6740 12 R 3.7803 7.7693 117.1097 56.4132 30.1987 178.0692 13 N 2.0000 7.8306 115.9601 53.1322 37.5896 177.0637 14 R 3.8327 8.8729 117.8895 58.9914 30.8285 176.2567 15 S 4.1510 7.1353 111.6304 61.4022 62.7493 173.6925 16 H 4.6261 10.4464 114.5168 55.5410 32.7657 176.8291 17 G 3.6672 9.3674 107.0980 44.8094 0.0000 179.0126 18 F 3.5722 7.2254 114.9323 56.2913 41.6689 177.6454 19 R 3.9001 8.5207 131.7286 55.6800 30.1742 179.8507 20 A 3.3835 8.2640 115.9985 54.1670 20.3101 179.4651 21 R 3.8429 7.1696 117.0631 59.5378 30.2452 177.9624 22 M 4.4322 8.4431 114.8484 55.0572 32.4285 176.3851 23 A 4.8093 7.7115 121.4044 50.6834 19.2377 175.9156 24 T 4.4744 7.0606 117.0204 62.8065 72.6091 174.8378 25 K 4.1228 8.0411 122.0809 59.2684 32.7389 179.3563 26 N 4.0615 8.2031 117.6295 56.4516 38.3662 176.4252 27 G 3.5314 7.6252 106.1131 46.8380 0.0000 175.3500 28 R 3.6822 8.0840 116.7310 58.9056 30.2335 179.1841 29 Q 3.8405 9.3592 118.6486 59.2406 28.9579 179.6162 30 V 3.4985 8.6379 120.1617 65.6102 31.5317 177.6420 31 L 3.9230 8.2773 118.0046 58.5021 41.6257 179.1276 32 A 3.9868 7.6644 120.1288 55.4658 18.1020 179.4924 33 R 3.9863 8.0829 113.9337 58.6455 29.6494 177.6274 34 R 4.1381 8.3936 118.8574 56.3861 30.2327 179.7081 35 R 3.4472 7.5789 121.3501 59.1898 33.5276 178.9014 36 A 4.5039 8.4075 126.6374 51.3107 17.0876 183.3964 37 K 3.7304 7.6456 114.9514 58.3367 34.0098 174.2282 38 G 4.0386 6.7445 113.4882 44.3568 0.0000 173.8624 39 R 3.6813 9.2362 122.3169 59.1783 30.3099 179.1030 40 A 3.5145 7.4917 115.5027 52.3096 17.1405 176.4972 41 R 3.8975 8.5245 126.2884 58.5568 30.5092 175.2028 42 L 4.0127 8.8936 121.4915 55.6387 42.8893 173.4892 43 T 4.2982 7.8301 117.1829 61.4297 68.6111 174.6740 44 V 3.7075 8.3472 114.3877 63.1438 32.3289 176.9346 45 S 4.4116 7.6123 116.5957 57.1723 62.2579 174.0730 46 K 3.9389 7.1363 124.5412 56.3367 32.0079 175.3648 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 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.33 4.19 0.00 1.74 1.68 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.75 7.81 3 R 8.20 4.22 0.00 1.90 1.90 0.00 3.44 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 4 T 8.11 4.46 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 1.24 0.00 0.00 5 F 8.39 4.25 0.00 3.00 2.44 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 6 Q 10.06 3.71 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 7 P 0.00 5.03 0.00 2.43 2.93 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 8 S 8.09 4.70 0.00 3.97 3.96 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 9 V 8.18 4.03 2.28 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 0.99 0.00 0.00 1.00 0.00 0.00 10 L 7.83 3.97 0.00 1.75 1.82 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.57 4.21 0.00 1.76 1.89 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.41 7.81 12 R 7.77 3.78 0.00 2.23 2.39 0.00 3.40 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 13 N 7.83 2.00 0.00 1.86 1.85 0.00 0.00 6.64 8.45 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 14 R 8.87 3.83 0.00 1.70 1.85 0.00 3.26 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 15 S 7.14 4.15 0.00 4.00 3.81 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 16 H 10.45 4.63 0.00 3.29 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.23 3.57 0.00 3.06 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.90 0.00 2.07 2.05 0.00 3.03 0.00 0.00 3.37 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 20 A 8.26 3.38 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.17 3.84 0.00 2.31 2.07 0.00 3.31 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 22 M 8.44 4.43 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 23 A 7.71 4.81 1.23 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 0.00 0.00 0.00 24 T 7.06 4.47 4.35 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 1.23 0.00 0.00 25 K 8.04 4.12 0.00 1.86 1.77 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 26 N 8.20 4.06 0.00 2.71 2.90 0.00 0.00 6.84 7.65 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 27 G 7.63 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.08 3.68 0.00 2.19 1.97 0.00 3.30 0.00 0.00 3.17 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 29 Q 9.36 3.84 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 30 V 8.64 3.50 2.28 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 1.05 0.00 0.00 0.95 0.00 0.00 31 L 8.28 3.92 0.00 1.81 1.75 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.66 3.99 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 33 R 8.08 3.99 0.00 2.02 2.08 0.00 3.06 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 34 R 8.39 4.14 0.00 1.87 1.82 0.00 3.16 0.00 0.00 3.28 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 35 R 7.58 3.45 0.00 2.10 1.82 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 A 8.41 4.50 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.73 0.00 1.97 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 38 G 6.74 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 0.00 0.00 0.00 39 R 9.24 3.68 0.00 1.79 2.03 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 40 A 7.49 3.51 1.44 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 0.00 0.00 41 R 8.52 3.90 0.00 1.81 1.99 0.00 3.41 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 42 L 8.89 4.01 0.00 1.76 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.83 4.30 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 1.19 0.00 0.00 44 V 8.35 3.71 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 45 S 7.61 4.41 0.00 3.74 3.72 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 46 K 7.14 3.94 0.00 1.55 1.50 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.31 7.81