NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.2184 8.4444 118.7854 56.3747 31.5043 176.9148 20 I 3.5803 7.6867 118.6978 62.0624 38.2309 173.8579 21 D 4.9640 7.4329 117.7350 52.4053 45.3127 174.3815 22 Y 4.3770 8.1749 118.8389 58.7744 38.7448 177.1603 23 K 3.8534 6.6132 117.3477 57.6519 33.5326 176.1560 24 D 4.6457 7.2922 121.4378 53.9864 40.8595 177.4098 25 I 3.8920 7.6345 113.4829 62.8213 37.4970 176.6965 26 A 3.9795 7.2122 120.0026 55.4140 18.5771 178.9567 27 T 4.3221 8.1218 106.7748 63.0124 69.5565 177.1052 28 L 4.1976 7.9676 122.3873 57.7213 41.5293 178.9681 29 K 4.0144 7.7418 117.2696 60.1264 32.1537 178.1719 30 N 4.3507 7.9060 117.6951 56.0116 38.9571 174.7151 31 Y 4.7547 8.5255 117.8446 57.3707 38.5796 174.9080 32 I 4.7752 7.5308 112.2932 58.9957 40.7407 174.7092 33 T 3.9791 8.6402 114.5842 62.2453 68.8514 174.5914 34 E 4.5268 8.7222 120.4306 57.0781 28.8084 177.6451 35 S 5.0229 7.4717 110.8221 56.5538 64.1125 173.7655 36 G 4.1359 8.2608 109.9263 45.8933 0.0000 174.8896 37 K 4.2843 7.7116 118.6851 56.1146 33.2841 177.1760 38 I 4.2790 8.2391 123.0242 61.3660 38.1759 175.3448 39 V 4.4383 7.7768 124.7354 60.3787 33.3594 174.0301 40 P 4.4361 0.0000 0.0000 62.2584 32.0149 177.5155 41 S 4.2240 8.9174 117.4442 61.4765 62.7856 176.2328 42 R 4.2611 8.0392 113.7670 57.2336 29.1792 175.9373 43 I 4.3563 8.0049 118.0656 63.5903 39.1011 177.1289 44 T 4.0018 8.0545 107.1211 62.0997 68.9809 174.9163 45 G 3.9256 8.3482 110.2251 46.5232 0.0000 173.5117 46 T 4.0422 7.6039 114.7322 60.9027 68.0489 174.7159 47 R 4.0196 8.4027 124.5876 56.2884 29.8440 177.5752 48 A 3.9232 8.5523 119.8628 55.2137 18.3900 179.4903 49 K 3.8332 8.1864 117.6952 60.1975 32.0773 178.0203 50 Y 4.0436 8.2425 115.9666 61.3349 37.8309 178.1299 51 Q 4.0958 8.0130 119.7967 59.1522 28.9106 179.3013 52 R 3.9688 7.7196 118.2008 59.1252 30.3096 178.3344 53 Q 3.9279 7.5888 117.8796 59.6208 28.7385 179.0469 54 L 3.8615 8.4261 121.1430 57.6218 41.9866 178.4280 55 A 3.9678 7.9790 120.3083 56.2553 18.4042 178.9181 56 R 3.7331 8.2685 114.7676 59.7693 29.9630 178.5790 57 A 3.9474 8.2022 119.1773 56.0413 18.7941 179.4547 58 I 3.4800 8.1214 116.7506 64.6221 37.1914 178.9076 59 K 3.8984 8.2356 118.9750 59.4413 31.7539 179.3403 60 R 3.9316 8.1376 117.1349 59.2783 30.3283 178.3643 61 A 4.3017 8.7211 120.8549 55.5241 18.4092 179.4708 62 R 4.1672 7.6207 117.4129 59.3832 29.9178 178.8564 63 Y 4.3292 7.5231 114.3876 60.5934 37.8254 177.4268 64 L 4.5160 8.0744 119.2244 54.1887 42.0182 177.1200 65 S 3.7550 7.9525 112.9624 59.5820 61.1708 173.8345 66 L 4.2862 7.7107 122.2456 56.4686 41.9866 177.5844 67 L 4.8846 7.6184 116.8016 51.9005 44.7673 173.5505 68 P 4.6693 0.0000 0.0000 62.3463 31.8681 175.4914 69 Y 3.9846 8.2688 119.8816 60.2267 38.9236 178.5824 70 T 4.4926 7.4903 120.4981 61.7050 69.4436 172.1029 71 D 4.7289 8.4412 113.9661 56.2071 43.3885 178.8708 72 R 3.8670 7.9684 114.1987 59.2444 29.4326 175.7347 73 H 4.4762 8.0788 118.9428 55.1887 28.9490 174.7925 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 19 E 8.44 4.22 0.00 1.85 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 1.90 1.75 0.00 20 I 7.69 3.58 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.87 0.00 0.00 21 D 7.43 4.96 0.00 2.50 2.17 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 22 Y 8.17 4.38 0.00 3.26 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 23 K 6.61 3.85 0.00 1.63 1.37 0.00 1.33 0.00 0.00 0.99 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.70 1.12 7.81 24 D 7.29 4.65 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.89 1.91 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 1.58 0.56 1.03 0.00 0.00 26 A 7.21 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.32 4.39 0.00 0.00 0.00 0.00 0.00 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 28 L 7.97 4.20 0.00 1.82 1.83 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.74 4.01 0.00 1.89 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.78 1.47 7.81 30 N 7.91 4.35 0.00 2.56 2.65 0.00 0.00 7.14 7.67 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 31 Y 8.53 4.75 0.00 3.08 2.93 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 32 I 7.53 4.78 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.45 1.01 0.00 0.00 33 T 8.64 3.98 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 34 E 8.72 4.53 0.00 1.98 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 2.31 2.23 0.00 35 S 7.47 5.02 0.00 3.93 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 36 G 8.26 4.14 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 0.00 0.00 0.00 37 K 7.71 4.28 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 38 I 8.24 4.28 1.87 0.00 0.00 0.84 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 0.44 0.93 0.00 0.00 39 V 7.78 4.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 40 P 0.00 4.44 0.00 2.23 1.97 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 41 S 8.92 4.22 0.00 4.24 4.17 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 42 R 8.04 4.26 0.00 1.95 2.10 0.00 2.98 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 43 I 8.00 4.36 2.06 0.00 0.00 0.87 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 0.97 0.92 0.00 0.00 44 T 8.05 4.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 45 G 8.35 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 0.00 0.00 0.00 46 T 7.60 4.04 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 1.32 0.00 0.00 47 R 8.40 4.02 0.00 1.92 1.94 0.00 2.28 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.00 48 A 8.55 3.92 1.34 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 0.00 0.00 0.00 49 K 8.19 3.83 0.00 1.90 2.04 0.00 1.99 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.63 7.81 50 Y 8.24 4.04 0.00 3.07 2.92 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 51 Q 8.01 4.10 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 52 R 7.72 3.97 0.00 2.05 1.94 0.00 3.22 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 1.63 1.86 0.00 53 Q 7.59 3.93 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 54 L 8.43 3.86 0.00 1.70 1.63 0.62 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.98 3.97 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 56 R 8.27 3.73 0.00 2.12 1.91 0.00 3.31 0.00 0.00 3.15 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 57 A 8.20 3.95 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 58 I 8.12 3.48 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.33 0.88 0.00 0.00 59 K 8.24 3.90 0.00 2.05 2.09 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.67 7.81 60 R 8.14 3.93 0.00 1.72 1.49 0.00 3.12 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 61 A 8.72 4.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 4.17 0.00 1.52 1.12 0.00 2.65 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.00 63 Y 7.52 4.33 0.00 3.04 3.09 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 64 L 8.07 4.52 0.00 1.97 1.76 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.95 3.76 0.00 3.98 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 66 L 7.71 4.29 0.00 1.70 1.78 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.62 4.88 0.00 1.66 1.53 0.95 1.04 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 68 P 0.00 4.67 0.00 2.44 2.08 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 69 Y 8.27 3.98 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.49 4.49 4.30 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 1.26 0.00 0.00 71 D 8.44 4.73 0.00 2.86 2.56 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 0.00 0.00 0.00 0.00 72 R 7.97 3.87 0.00 1.81 2.04 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 73 H 8.08 4.48 0.00 3.12 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00