NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3421 8.3149 120.1343 56.7205 33.5411 174.6556 5 E 4.5588 8.1274 117.0403 55.5723 33.1479 173.6190 6 T 4.6232 9.2979 119.8928 61.6256 71.7890 173.5605 7 K 4.6458 8.4011 124.9968 54.9042 34.6912 175.3984 8 H 4.6343 8.5596 121.7116 55.0029 32.6205 172.2718 9 L 4.6162 8.3140 127.5917 53.7410 42.0378 175.6739 10 L 4.7589 8.2488 122.2930 53.7148 42.9932 175.7122 11 K 4.5780 8.3134 117.9483 54.7082 35.3704 175.8822 12 I 4.4997 8.4245 124.1155 59.3197 39.6524 175.0090 13 K 4.5339 8.8795 124.7234 55.3732 33.3969 177.3952 14 K 3.3803 8.6724 125.9329 59.4046 32.5475 177.7681 15 E 3.8348 8.0755 117.5644 59.3782 29.8538 177.5336 16 D 4.2590 8.0652 116.8402 57.0063 41.4261 176.4558 17 Y 4.7374 8.0171 116.9674 54.0416 38.6269 173.4236 18 P 4.6012 0.0000 0.0000 65.3010 31.2175 178.0917 19 Q 4.0615 8.1540 117.9529 58.5140 29.0869 179.4313 20 I 3.8848 7.9851 119.6982 65.1135 37.2728 177.5102 21 F 3.6864 8.3975 119.2012 61.8406 38.9619 176.5374 22 D 4.6207 9.2595 119.8842 58.5637 41.4100 178.3220 23 F 4.2979 8.6183 121.2347 60.3429 39.0266 176.5435 24 L 3.2223 7.9690 120.8405 57.9418 41.8837 178.5329 25 E 3.9753 7.8540 117.0799 57.8196 29.7726 176.0811 26 N 4.9860 8.5669 117.1935 53.1974 39.7923 174.2372 27 V 4.1487 7.2993 116.1851 60.0610 33.8738 173.2853 28 P 4.3077 0.0000 0.0000 62.3171 31.7929 176.1236 29 R 3.7538 8.4108 119.6745 58.4030 30.1110 176.9675 30 G 3.8788 9.0199 110.8349 46.8941 0.0000 174.2081 31 T 4.4578 7.4955 115.7699 62.6968 70.0020 176.0561 32 K 4.0835 7.9862 120.9025 59.9703 32.0668 178.7560 33 T 3.8417 7.8812 114.7321 66.6036 68.4087 176.0672 34 A 3.9648 7.9999 121.9623 55.7123 18.3680 178.8446 35 H 4.1231 8.9306 115.3077 59.3904 28.8422 177.8817 36 I 3.7226 7.9050 121.0812 64.5872 36.9955 178.3313 37 R 3.9041 8.3715 119.7683 59.4257 29.8122 178.1702 38 E 3.8629 8.5971 119.0876 59.2513 29.6730 178.2739 39 A 4.0206 8.5807 121.1724 55.4212 18.3258 179.6941 40 L 3.9752 8.3806 117.4329 57.9662 41.6871 179.2834 41 R 3.9188 7.9049 118.7551 59.8926 29.6920 178.4986 42 R 4.0092 7.8272 115.9011 59.7617 30.4509 177.7708 43 Y 4.9162 8.5306 120.6651 61.1360 38.6749 178.4601 44 I 3.0274 9.1445 115.7388 64.5759 37.1980 177.1454 45 E 4.1113 7.5468 124.3086 59.9836 30.0388 179.0810 46 E 4.0430 8.0921 119.4564 57.5709 29.3645 178.8728 47 I 3.5863 8.3190 119.3315 62.8596 35.5333 176.1924 48 G 3.6972 9.0479 117.1415 46.3961 0.0000 173.8605 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 4 K 8.31 4.34 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 5 E 8.13 4.56 0.00 1.98 1.79 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 2.18 2.39 0.00 6 T 9.30 4.62 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 1.22 0.00 0.00 7 K 8.40 4.65 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 8 H 8.56 4.63 0.00 3.03 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.31 4.62 0.00 1.74 1.60 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.25 4.76 0.00 1.74 1.72 0.90 0.45 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 11 K 8.31 4.58 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.43 7.81 12 I 8.42 4.50 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.30 1.11 0.00 0.00 13 K 8.88 4.53 0.00 1.96 1.80 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.50 7.81 14 K 8.67 3.38 0.00 0.82 1.46 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.08 1.19 7.81 15 E 8.08 3.83 0.00 1.89 1.90 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 2.22 2.26 0.00 16 D 8.07 4.26 0.00 2.59 1.93 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 17 Y 8.02 4.74 0.00 3.03 2.85 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 0.00 0.00 0.00 18 P 0.00 4.60 0.00 2.29 2.28 0.00 3.93 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 2.12 1.94 0.00 19 Q 8.15 4.06 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 20 I 7.99 3.88 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 0.91 0.00 0.00 21 F 8.40 3.69 0.00 3.30 3.32 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 22 D 9.26 4.62 0.00 2.89 3.11 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 23 F 8.62 4.30 0.00 3.26 3.20 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 24 L 7.97 3.22 0.00 1.62 1.58 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.85 3.98 0.00 1.50 1.81 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 2.18 2.20 0.00 26 N 8.57 4.99 0.00 2.65 2.68 0.00 0.00 6.78 7.56 0.00 0.00 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 V 7.30 4.15 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 0.76 0.00 0.00 -0.04 0.00 0.00 28 P 0.00 4.31 0.00 2.19 1.95 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 29 R 8.41 3.75 0.00 1.77 1.89 0.00 3.38 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 30 G 9.02 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 0.00 0.00 0.00 31 T 7.50 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 1.02 0.00 0.00 32 K 7.99 4.08 0.00 1.75 1.83 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 33 T 7.88 3.84 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 34 A 8.00 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 35 H 8.93 4.12 0.00 3.40 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.90 3.72 1.89 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 1.46 0.93 0.91 0.00 0.00 37 R 8.37 3.90 0.00 2.03 2.20 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 38 E 8.60 3.86 0.00 2.18 2.22 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 2.35 2.41 0.00 39 A 8.58 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 40 L 8.38 3.98 0.00 1.71 1.78 0.92 0.62 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 41 R 7.90 3.92 0.00 1.91 2.33 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 42 R 7.83 4.01 0.00 2.04 2.01 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 43 Y 8.53 4.92 0.00 3.00 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 44 I 9.14 3.03 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.89 0.00 0.00 45 E 7.55 4.11 0.00 2.14 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 0.00 2.46 2.35 0.00 46 E 8.09 4.04 0.00 2.19 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 2.32 2.54 0.00 47 I 8.32 3.59 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.10 0.77 0.00 0.00 48 G 9.05 3.70 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 0.00 0.00 0.00