NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4568 8.1814 115.4126 58.3673 65.2937 175.7623 2 G 3.5560 7.9703 107.8179 46.9101 0.0000 174.1397 3 I 3.7739 7.8447 121.9462 64.2737 37.6874 176.8714 4 V 3.8327 7.6260 118.6730 65.7305 31.3700 177.8732 5 Q 3.9826 8.6883 118.3751 59.1512 28.5557 178.7640 6 Q 4.1033 8.0854 120.3987 59.2087 28.9611 178.1010 7 Q 3.9760 8.0935 119.2433 58.9416 28.6457 178.4297 8 N 4.2789 7.9579 117.4879 56.7079 39.0746 176.5383 9 N 4.3004 8.3255 117.9868 56.4087 38.5988 177.4270 10 L 3.9459 8.1114 120.2593 57.6059 41.7513 179.0141 11 L 3.9176 8.1204 120.6028 58.5229 41.9698 179.2234 12 R 4.2477 8.4973 119.0091 58.7136 29.8947 178.9972 13 A 4.0156 7.9908 120.3584 55.0834 18.3828 179.7095 14 I 3.6319 7.9780 118.5031 64.4907 36.9092 178.3258 15 E 3.8821 8.6126 119.5442 59.5141 29.3636 179.4398 16 A 4.0608 8.0011 120.5400 55.3094 18.4722 179.5819 17 Q 3.9753 8.3861 116.9161 59.1670 28.7146 179.0518 18 Q 3.9437 8.1424 120.4996 59.4879 29.1030 177.8601 19 H 4.2003 8.0907 117.2619 58.8230 28.7492 177.5167 20 L 3.9425 7.9466 121.9512 58.2241 41.9537 178.8282 21 L 4.0307 8.4915 119.2232 58.2281 41.5820 179.6955 22 Q 4.0901 8.4054 117.7942 58.6258 28.6381 178.5878 23 L 4.1117 8.0318 120.6349 58.0164 41.6585 179.6322 24 T 3.9831 8.1154 109.8240 64.7050 68.7347 176.7267 25 V 3.5919 8.0678 121.2287 65.5386 31.5290 177.6640 26 W 4.2360 8.4876 128.1531 60.4715 30.5983 178.1881 27 G 3.5655 8.3666 105.4908 47.9038 0.0000 175.6813 28 I 3.6901 7.8485 122.6776 64.0549 37.1156 178.7119 29 K 3.8503 8.0440 119.1897 59.3860 31.9364 179.3856 30 Q 3.6510 7.4856 118.3291 58.8958 28.5495 178.9766 31 L 4.0478 7.6068 119.4673 57.4211 41.6179 179.3035 32 Q 3.8463 8.2466 119.6097 59.2253 28.8456 177.9530 33 A 3.9520 7.5930 120.3182 55.3064 18.3369 179.4091 34 R 3.9518 7.2385 115.0918 59.5309 30.3194 178.4647 35 I 3.8319 7.5035 111.6436 63.8909 37.6062 176.3861 36 L 4.2627 7.7585 124.1542 54.7559 41.5981 176.7026 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 S 8.18 4.46 0.00 4.02 4.19 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 0.00 0.00 0.00 0.00 2 G 7.97 3.56 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 0.00 0.00 0.00 3 I 7.84 3.77 1.87 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 1.52 0.88 0.91 0.00 0.00 4 V 7.63 3.83 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 1.07 0.00 0.00 0.93 0.00 0.00 5 Q 8.69 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 6 Q 8.09 4.10 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 7 Q 8.09 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 8 N 7.96 4.28 0.00 2.76 2.99 0.00 0.00 7.22 7.25 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 9 N 8.33 4.30 0.00 2.98 2.86 0.00 0.00 7.08 6.67 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 10 L 8.11 3.95 0.00 1.83 1.71 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.12 3.92 0.00 1.83 1.91 0.93 1.15 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 12 R 8.50 4.25 0.00 2.12 1.97 0.00 3.28 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 13 A 7.99 4.02 1.40 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 0.00 0.00 0.00 14 I 7.98 3.63 2.03 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 1.52 0.74 0.90 0.00 0.00 15 E 8.61 3.88 0.00 2.17 1.99 0.00 0.00 0.00 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 2.42 0.00 16 A 8.00 4.06 1.38 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 17 Q 8.39 3.98 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 18 Q 8.14 3.94 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 19 H 8.09 4.20 0.00 3.43 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.95 3.94 0.00 1.97 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.49 4.03 0.00 1.96 1.74 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.41 4.09 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 23 L 8.03 4.11 0.00 1.95 1.76 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.12 3.98 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 1.32 0.00 0.00 25 V 8.07 3.59 2.30 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 1.02 0.00 0.00 1.03 0.00 0.00 26 W 8.49 4.24 0.00 3.45 3.40 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 0.00 27 G 8.37 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.69 1.97 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 1.51 0.71 0.88 0.00 0.00 29 K 8.04 3.85 0.00 1.85 1.67 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 30 Q 7.49 3.65 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 31 L 7.61 4.05 0.00 1.79 1.66 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.25 3.85 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 33 A 7.59 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.24 3.95 0.00 1.98 2.01 0.00 3.41 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 35 I 7.50 3.83 1.85 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 1.49 0.81 0.95 0.00 0.00 36 L 7.76 4.26 0.00 1.63 1.61 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00