NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7269 8.1700 119.7101 53.1467 41.1306 175.7388 2 H 3.7315 8.7952 117.5559 58.7456 29.4793 174.5777 3 Y 3.9185 9.0304 122.1594 61.2087 38.9966 177.6131 4 N 4.4214 8.7093 118.3177 55.6554 38.6473 176.6385 5 C 4.1161 8.3311 120.1665 59.7765 37.9418 175.9561 6 V 3.6124 7.7666 120.1270 65.9314 30.8933 178.1280 7 S 4.0395 8.0922 114.4894 60.5841 62.3288 175.5548 8 S 4.7261 7.4387 115.5140 58.0501 63.2142 174.9109 9 G 3.9191 7.9746 110.5592 45.3481 0.0000 174.2516 10 G 4.1616 8.0332 107.3348 45.1020 0.0000 172.9606 11 Q 4.7138 8.6465 116.2426 54.5317 32.3524 173.6176 12 C 5.0311 8.6993 118.8386 56.1651 37.9280 173.0939 13 L 4.9109 8.6631 123.4193 53.2590 44.9859 177.6263 14 Y 4.2135 9.2479 121.4520 59.9451 39.8522 176.8002 15 S 4.3369 8.5972 109.5211 58.2286 63.3955 175.7623 16 A 4.2854 9.0536 116.7808 51.2411 19.9005 179.1697 17 C 4.5301 8.5080 119.9395 55.6030 39.5691 172.2803 18 P 4.4808 0.0000 0.0000 61.8207 31.8410 175.3425 19 I 3.4058 7.9392 118.7012 62.9067 37.9100 175.4008 20 F 4.1153 8.2695 123.4079 58.2897 36.1640 174.3634 21 T 5.0047 7.7913 109.9508 59.7914 71.9102 173.0728 22 K 4.7166 8.2466 119.6975 54.8436 36.6829 175.3898 23 I 4.0889 8.3956 122.5286 61.9810 37.3812 176.3243 24 E 4.4295 9.2528 127.8787 53.0315 29.8337 175.8901 25 G 3.7617 8.9715 109.0675 44.1382 0.0000 169.5061 26 T 4.9312 7.9692 107.0465 60.2834 72.2287 172.7554 27 C 4.6240 8.1668 117.9083 56.2300 42.6503 173.1151 28 Y 3.7968 8.6453 114.9168 60.0312 33.9864 170.3000 29 R 3.6088 8.7909 110.6831 57.5076 28.1557 178.1569 30 G 3.9231 8.3213 102.5115 46.0520 0.0000 175.0767 31 K 4.1833 7.9566 118.7328 57.2096 32.7237 176.3775 32 A 4.6150 7.8306 120.1865 49.7050 22.5683 175.1856 33 K 4.6845 8.8088 118.6457 55.2699 34.6754 175.2400 34 C 4.8491 8.5960 124.1830 55.7533 46.3902 171.4629 35 C 5.3878 9.2276 124.8073 55.2084 42.1263 174.3002 36 K 4.2481 8.7176 122.9386 56.4875 32.0989 176.2473 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 D 8.17 4.73 0.00 2.89 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 2 H 8.80 3.73 0.00 3.28 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.03 3.92 0.00 3.19 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 N 8.71 4.42 0.00 2.97 2.87 0.00 0.00 6.22 7.01 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 5 C 8.33 4.12 0.00 2.94 3.13 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 0.00 0.00 0.00 0.00 6 V 7.77 3.61 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.77 0.00 0.00 7 S 8.09 4.04 0.00 3.82 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 8 S 7.44 4.73 0.00 4.04 4.01 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 0.00 0.00 0.00 9 G 7.97 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 G 8.03 4.16 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 0.00 0.00 0.00 11 Q 8.65 4.71 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 12 C 8.70 5.03 0.00 2.70 2.39 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 0.00 13 L 8.66 4.91 0.00 1.52 1.53 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.25 4.21 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.34 0.00 3.97 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 16 A 9.05 4.29 1.25 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 0.00 0.00 17 C 8.51 4.53 0.00 2.95 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 18 P 0.00 4.48 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 19 I 7.94 3.41 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.72 0.00 0.00 20 F 8.27 4.12 0.00 3.30 3.13 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 0.00 0.00 0.00 0.00 21 T 7.79 5.00 4.24 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 1.24 0.00 0.00 22 K 8.25 4.72 0.00 1.78 1.88 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.48 7.81 23 I 8.40 4.09 1.85 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 1.32 0.51 0.88 0.00 0.00 24 E 9.25 4.43 0.00 1.73 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 2.22 2.37 0.00 25 G 8.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.93 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 1.20 0.00 0.00 27 C 8.17 4.62 0.00 1.90 1.94 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 28 Y 8.65 3.80 0.00 3.05 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 29 R 8.79 3.61 0.00 2.01 2.04 0.00 3.50 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.32 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 31 K 7.96 4.18 0.00 2.06 2.10 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.71 7.81 32 A 7.83 4.62 0.46 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.81 4.68 0.00 1.60 1.66 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.47 7.81 34 C 8.60 4.85 0.00 2.90 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 35 C 9.23 5.39 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 36 K 8.72 4.25 0.00 1.66 1.63 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81