NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3631 8.2493 123.5874 52.0867 20.2022 177.0137 2 T 4.0028 7.9333 110.5270 62.7531 69.6366 173.2977 3 C 4.6558 8.7714 121.6758 57.8697 40.0236 174.2851 4 D 4.9259 7.9800 115.7063 54.1852 41.8682 174.9243 5 L 4.8872 7.1656 118.4823 54.1894 44.4477 175.8459 6 A 3.4699 8.7483 118.4247 54.4323 16.4543 179.1289 7 S 4.7922 7.8606 113.6323 58.9876 62.3456 174.3949 8 F 4.0245 7.5113 131.2131 60.1262 38.8475 175.7549 9 S 5.6283 8.1271 109.3816 58.0481 62.9683 175.6545 10 S 4.2901 7.9816 116.4409 61.2849 62.2269 175.2588 11 Q 4.6755 8.0687 114.4760 54.9740 30.5978 174.7263 12 W 5.0460 7.7268 117.9267 55.0117 33.1607 175.7372 13 V 4.1606 8.2689 120.1896 62.0684 31.1789 176.8133 14 T 4.0025 7.8752 117.7977 64.3583 68.9600 173.0057 15 P 4.3827 0.0000 0.0000 65.4650 31.9673 175.3111 16 N 5.0920 8.1354 116.2579 54.0106 44.8768 174.3973 17 D 4.3668 8.5210 117.8636 54.6629 40.5184 175.9932 18 S 4.0518 8.1392 120.0559 57.9269 63.7914 176.0349 19 L 4.0382 8.4951 124.2624 54.5364 40.6712 176.3994 20 C 5.1551 7.4069 113.3835 54.8821 44.0526 173.6876 21 A 4.7176 8.0226 123.7473 51.0961 26.0653 179.4765 22 A 3.7481 8.6263 120.3688 54.0453 19.3896 179.5888 23 H 4.1313 7.9515 112.7458 59.4009 29.1794 178.3887 24 C 4.3648 8.1178 117.6767 59.9226 39.8838 175.8467 25 L 4.0604 8.4071 120.3216 57.6898 41.1884 179.3704 26 V 3.7474 7.2102 117.1800 66.1991 31.5227 177.9835 27 K 4.2365 7.8098 116.1296 59.2956 32.6665 177.2721 28 G 3.5337 8.2864 109.2829 46.3581 0.0000 172.8759 29 Y 4.7997 7.7666 115.8643 55.9829 40.8819 176.1191 30 R 4.8447 8.4943 117.2228 53.8622 30.0073 175.3646 31 G 4.5297 7.3384 111.3981 46.9128 0.0000 172.6929 32 G 4.3764 8.1967 109.9524 45.2967 0.0000 172.3144 33 Y 4.5167 6.8304 119.1624 57.1390 38.7842 174.5989 34 C 5.0823 8.8948 118.6838 54.8441 43.5299 173.3142 35 K 4.4556 8.5445 120.0103 55.8956 34.6758 174.5627 36 N 4.6680 9.8125 126.6592 53.5438 38.4645 173.8369 37 K 4.6975 7.5435 113.1428 57.4575 40.3500 176.6244 38 I 4.3639 7.5698 119.9501 60.7614 38.4851 174.2413 39 C 4.6726 8.8536 122.3813 55.3921 38.4223 173.7627 40 H 4.6053 9.2896 121.1059 53.9505 28.2959 173.0477 41 C 4.3263 8.4873 119.5417 56.9732 40.8987 173.9681 42 R 4.6758 8.6461 119.8338 55.1471 30.0157 175.0214 43 D 4.3133 8.2449 117.6523 54.2989 43.7144 173.8969 44 K 3.8966 7.9091 126.3298 55.0427 34.3005 176.4809 45 F 4.4581 7.7976 115.5361 57.0886 38.0072 175.5816 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 A 8.25 4.36 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 2 T 7.93 4.00 4.28 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 1.25 0.00 0.00 3 C 8.77 4.66 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.93 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.17 4.89 0.00 1.64 1.59 1.02 0.92 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 6 A 8.75 3.47 0.94 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 7 S 7.86 4.79 0.00 4.00 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 8 F 7.51 4.02 0.00 3.19 2.50 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 0.00 0.00 0.00 9 S 8.13 5.63 0.00 3.63 3.64 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 10 S 7.98 4.29 0.00 4.03 3.98 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 0.00 0.00 0.00 11 Q 8.07 4.68 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 12 W 7.73 5.05 0.00 3.50 3.05 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 0.00 0.00 0.00 13 V 8.27 4.16 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 0.76 0.00 0.00 0.91 0.00 0.00 14 T 7.88 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 15 P 0.00 4.38 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 16 N 8.14 5.09 0.00 2.76 2.88 0.00 0.00 6.98 8.47 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 17 D 8.52 4.37 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 18 S 8.14 4.05 0.00 3.96 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 19 L 8.50 4.04 0.00 1.83 1.76 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.41 5.16 0.00 2.83 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.72 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 22 A 8.63 3.75 1.09 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 0.00 0.00 23 H 7.95 4.13 0.00 3.09 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.12 4.36 0.00 3.20 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 25 L 8.41 4.06 0.00 1.71 1.82 0.79 1.31 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 26 V 7.21 3.75 2.19 0.00 0.00 0.00 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 0.98 0.00 0.00 27 K 7.81 4.24 0.00 1.81 1.98 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.39 7.81 28 G 8.29 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 29 Y 7.77 4.80 0.00 2.71 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 30 R 8.49 4.84 0.00 2.03 2.24 0.00 3.37 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 31 G 7.34 4.53 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 32 G 8.20 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.83 4.52 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 5.08 0.00 3.00 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 35 K 8.54 4.46 0.00 1.79 1.78 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 36 N 9.81 4.67 0.00 2.87 2.94 0.00 0.00 7.04 6.68 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 37 K 7.54 4.70 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.44 7.81 38 I 7.57 4.36 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.83 0.00 0.00 39 C 8.85 4.67 0.00 3.13 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 40 H 9.29 4.61 0.00 3.26 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.49 4.33 0.00 2.77 3.22 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 0.00 42 R 8.65 4.68 0.00 1.82 1.66 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.25 0.00 43 D 8.24 4.31 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.90 0.00 1.23 0.74 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.81 1.05 7.81 45 F 7.80 4.46 0.00 2.96 3.05 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 0.00 0.00 0.00