NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5216 8.3244 122.8267 58.1780 40.5391 172.8808 2 V 4.1864 6.8803 121.5100 58.8789 34.0823 173.2197 3 N 4.8677 9.0589 120.4521 51.6942 39.0668 172.7328 4 Q 4.5055 8.3570 121.0169 54.8755 32.8950 173.7143 5 H 4.1466 8.6241 115.2710 57.1774 29.1047 175.3538 6 L 4.4442 8.4323 121.7834 55.7761 43.1913 174.7131 7 C 4.6169 8.0404 118.8626 58.9676 30.2186 173.4895 8 S 4.7966 7.5509 119.3606 58.6945 68.3662 178.1042 9 S 4.4109 8.1514 112.4585 61.2113 63.1032 176.0795 10 D 4.2638 8.0768 120.8338 57.2118 40.6255 177.5090 11 L 3.9353 7.9195 120.5872 58.8110 41.8918 179.4926 12 V 2.8860 6.9924 110.3139 64.2093 31.2461 178.7243 13 E 4.2543 7.7016 116.8435 60.1164 29.4187 178.2805 14 A 3.8250 8.8550 120.6667 55.7010 18.1790 179.1194 15 L 3.6953 7.5317 114.6525 57.9427 41.9249 179.5788 16 Y 4.8885 7.7001 116.2039 61.6261 37.5077 177.9030 17 L 4.3627 8.9460 120.4589 56.7675 42.0168 178.9986 18 V 3.8042 7.5968 113.2864 64.1089 33.0823 177.5021 19 C 4.9298 8.3017 114.3794 58.8878 27.8068 174.8546 20 G 4.4967 8.0244 109.2590 47.4630 0.0000 173.6029 21 E 4.5472 8.1249 117.3813 56.5545 30.9199 177.3965 22 R 3.9112 8.2204 116.2076 55.9876 30.4498 175.9301 23 G 3.6728 7.3935 107.2619 45.5761 0.0000 173.2519 24 F 4.6133 7.1437 118.9171 56.8267 39.5460 176.7006 25 F 4.3756 8.8872 121.8783 57.0730 38.0202 175.4002 26 Y 4.6762 7.9013 116.9703 57.9866 39.4326 174.8638 27 T 4.1694 7.4758 110.4253 60.4205 71.2540 174.0069 28 K 3.8657 8.2973 120.3902 56.6323 32.9373 175.7505 29 P 4.5786 0.0000 0.0000 62.2416 30.6053 176.3755 30 T 4.0089 7.5698 111.9329 62.8055 68.5643 174.4970 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 F 8.32 4.52 0.00 2.97 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 2 V 6.88 4.19 1.76 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 0.87 0.00 0.00 0.78 0.00 0.00 3 N 9.06 4.87 0.00 2.84 2.84 0.00 0.00 5.87 7.40 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 4 Q 8.36 4.51 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 5 H 8.62 4.15 0.00 3.12 3.28 0.00 5.69 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 6 L 8.43 4.44 0.00 1.69 1.65 0.97 0.82 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 7 C 8.04 4.62 0.00 2.97 2.96 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 8 S 7.55 4.80 0.00 3.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.41 0.00 3.95 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 10 D 8.08 4.26 0.00 2.81 2.67 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 11 L 7.92 3.94 0.00 1.60 0.97 -0.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 V 6.99 2.89 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 0.87 0.00 0.00 1.10 0.00 0.00 13 E 7.70 4.25 0.00 2.16 2.07 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 2.49 2.64 0.00 14 A 8.86 3.82 1.17 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 0.00 0.00 15 L 7.53 3.70 0.00 0.27 0.67 0.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.70 4.89 0.00 3.28 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 17 L 8.95 4.36 0.00 1.71 1.66 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.60 3.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 19 C 8.30 4.93 0.00 3.18 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 20 G 8.02 4.50 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 0.00 0.00 0.00 21 E 8.12 4.55 0.00 2.07 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 2.36 2.35 0.00 22 R 8.22 3.91 0.00 1.91 2.04 0.00 3.41 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 23 G 7.39 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 0.00 0.00 0.00 24 F 7.14 4.61 0.00 3.24 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 25 F 8.89 4.38 0.00 3.03 3.20 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 26 Y 7.90 4.68 0.00 3.07 3.46 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 27 T 7.48 4.17 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 1.07 0.00 0.00 28 K 8.30 3.87 0.00 1.69 1.74 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.44 7.81 29 P 0.00 4.58 0.00 2.16 2.07 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 30 T 7.57 4.01 4.23 0.00 0.00 0.00 0.00 0.00 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