NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 2.5400 8.4449 120.1606 55.8465 30.7030 175.4235 2 Q 4.0792 7.4851 120.3442 55.3825 29.7833 171.6305 3 C 4.7186 7.8316 111.0521 55.4219 43.5412 173.7080 4 G 3.9395 8.6086 108.0991 44.8245 0.0000 173.8809 5 R 3.8847 8.9065 117.2378 59.5941 30.1926 179.2045 6 Q 3.9516 8.1195 114.6483 58.1848 28.8367 177.0656 7 A 4.5647 7.7217 119.8975 51.5012 19.4632 176.5235 8 G 3.8036 8.8726 105.6410 48.1999 0.0000 175.8563 9 G 3.9203 8.5100 107.2251 44.3916 0.0000 174.9564 10 K 3.9336 7.6149 119.8204 56.7402 32.6250 176.2529 11 L 4.7841 8.0732 121.8541 53.4296 43.3720 177.3411 12 C 4.5876 8.3730 118.4320 55.9225 36.1585 172.0263 13 P 4.5206 0.0000 0.0000 62.8484 31.9073 175.0436 14 D 4.3256 9.2302 114.7879 55.6817 39.4316 173.1729 15 N 4.2714 8.4685 109.2417 53.7679 36.4189 174.6245 16 L 4.2852 7.5600 117.2819 54.7772 42.5229 176.4934 17 C 4.7225 8.9568 120.0285 57.1735 39.2819 172.0404 18 C 5.2555 9.0706 124.1277 55.0509 45.2947 173.6811 19 S 4.9580 9.6947 122.0349 57.0135 63.5058 175.1462 20 Q 3.8513 8.4867 118.1489 58.6142 27.9685 177.5130 21 W 4.5670 7.8867 116.1823 56.7907 29.7385 176.6323 22 G 3.9097 8.6241 107.5387 45.7352 0.0000 172.8785 23 W 5.3849 8.0745 117.2891 54.7180 33.2966 175.1116 24 C 5.3748 9.4981 120.2732 56.3013 42.6466 173.5389 25 G 2.8349 8.4066 108.9755 45.6923 0.0000 173.7852 26 S 4.7179 8.1208 112.0540 57.6716 64.3870 173.3827 27 T 4.5642 7.4577 111.6841 59.8840 71.2502 174.5001 28 D 4.4437 8.7591 119.7320 57.8874 40.6360 177.9840 29 E 3.7342 8.3002 117.5227 59.0481 29.7089 177.9706 30 Y 4.4364 8.5108 116.2427 59.6581 38.5642 176.5357 31 C 4.7612 8.2144 115.4695 56.4452 42.4593 173.3638 32 S 4.8003 7.7817 116.3848 56.6178 63.0340 173.2428 33 P 4.2800 0.0000 0.0000 65.5308 31.2967 178.1319 34 D 4.4533 8.1911 117.0983 56.4902 40.7509 176.6680 35 H 4.7584 8.0707 115.0472 54.8029 29.2904 173.7455 36 N 4.1242 7.9712 115.1569 53.7952 36.1986 174.1039 37 C 4.2806 8.2486 116.2543 57.4543 44.4224 172.8945 38 Q 4.1986 8.8942 125.1208 57.5314 29.5312 176.0851 39 S 4.5391 7.9397 109.3117 58.1940 65.2756 173.6694 40 N 4.3125 8.6813 115.7836 54.5877 35.9149 175.5662 41 C 4.6467 8.0608 113.1962 56.2627 41.3790 173.6986 42 K 4.1533 8.5182 126.3688 56.9615 33.0431 177.3913 43 D 4.9530 8.5769 118.3679 53.3983 39.5019 171.8596 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 E 8.44 2.54 0.00 1.62 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.47 0.00 2 Q 7.49 4.08 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 3 C 7.83 4.72 0.00 3.21 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 4 G 8.61 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.91 3.88 0.00 1.79 1.96 0.00 3.08 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 6 Q 8.12 3.95 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.51 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 7 A 7.72 4.56 1.20 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 0.00 0.00 8 G 8.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 3.93 0.00 1.75 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.59 7.81 11 L 8.07 4.78 0.00 1.63 1.58 0.92 0.93 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 12 C 8.37 4.59 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.22 2.19 0.00 3.87 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 2.08 1.97 0.00 14 D 9.23 4.33 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.27 0.00 2.90 2.87 0.00 0.00 7.20 7.85 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 16 L 7.56 4.29 0.00 1.65 1.57 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.96 4.72 0.00 3.12 3.24 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 0.00 18 C 9.07 5.26 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.69 4.96 0.00 4.01 4.02 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 0.00 0.00 0.00 0.00 20 Q 8.49 3.85 0.00 1.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 21 W 7.89 4.57 0.00 3.61 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 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 23 W 8.07 5.38 0.00 3.48 3.25 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 0.00 24 C 9.50 5.37 0.00 3.04 3.04 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 25 G 8.41 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.72 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 4.56 4.34 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 1.24 0.00 0.00 28 D 8.76 4.44 0.00 2.87 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 29 E 8.30 3.73 0.00 1.88 1.80 0.00 0.00 0.00 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 2.27 0.00 30 Y 8.51 4.44 0.00 3.19 3.04 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 31 C 8.21 4.76 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.78 4.80 0.00 4.15 3.90 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 33 P 0.00 4.28 0.00 2.21 2.08 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 34 D 8.19 4.45 0.00 2.59 2.62 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 0.00 0.00 0.00 0.00 35 H 8.07 4.76 0.00 3.14 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.97 4.12 0.00 2.91 2.80 0.00 0.00 6.80 7.46 0.00 0.00 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 C 8.25 4.28 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 4.20 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 39 S 7.94 4.54 0.00 3.96 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 40 N 8.68 4.31 0.00 3.02 3.04 0.00 0.00 6.99 7.66 0.00 0.00 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 C 8.06 4.65 0.00 2.98 3.18 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 42 K 8.52 4.15 0.00 1.74 1.76 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.39 7.81 43 D 8.58 4.95 0.00 2.89 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