NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6957 8.3244 122.8222 59.0071 40.7544 173.6041 2 V 3.1383 6.9408 124.8020 61.4237 30.4353 169.8184 3 N 4.5656 7.4294 118.7573 52.5165 41.5172 172.0294 4 Q 4.3731 7.8300 124.8514 55.8295 31.8809 172.4377 5 H 4.6162 8.5445 117.2823 55.3371 29.4923 175.3476 6 L 4.7660 8.0941 121.8254 53.5053 45.6646 175.1987 7 C 4.7447 8.4514 121.3966 58.9278 35.8555 174.1059 8 G 3.9373 8.4774 114.3117 46.4439 0.0000 175.8333 9 S 4.1200 8.9615 118.6619 61.8584 62.2228 175.7281 10 H 4.2198 7.8628 119.6198 58.4791 28.3657 177.6024 11 L 3.9096 7.8761 121.6998 57.9824 42.0467 178.9426 12 V 3.2208 7.9461 118.3531 66.0257 31.4118 177.9295 13 E 4.2327 8.7676 118.5645 59.3613 29.2153 179.1687 14 A 4.2164 8.3287 120.9778 55.1262 18.4387 179.5937 15 L 3.8055 8.0160 117.6845 58.3269 41.7882 179.4812 16 Y 4.5855 8.1103 116.4620 61.0737 37.5165 178.7461 17 L 4.1061 8.2546 119.7081 57.7148 41.8252 179.4419 18 V 3.8063 7.9873 117.3517 66.2193 31.6964 177.5085 19 C 4.3909 8.6087 114.7586 61.6832 28.9856 175.6365 20 G 3.9178 8.4736 109.0060 45.1876 0.0000 173.9705 21 E 4.0707 8.8803 119.1029 58.9322 29.9226 179.4582 22 R 3.9465 8.1094 117.0146 57.1788 30.4730 177.8278 23 G 4.0230 8.0293 106.3674 44.3873 0.0000 172.2782 24 F 5.0020 7.5487 112.5839 54.8064 40.3373 175.1628 25 F 4.5514 8.4428 116.5845 58.2949 38.5729 175.5735 26 Y 4.3816 7.7165 122.3959 57.7741 38.9597 174.7962 27 T 4.2896 7.0247 113.4887 58.5172 71.5023 171.2054 28 P 3.9863 0.0000 0.0000 63.1991 30.4023 175.2444 29 K 4.0738 8.2396 122.9989 56.7366 32.1064 175.6893 30 T 4.1797 7.0789 116.3082 63.4486 67.7057 174.2717 31 K 4.3214 8.7516 132.3720 57.0996 31.9584 176.0460 32 R 4.2230 7.6591 121.0804 56.5275 30.0387 176.2722 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 4.70 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 6.94 3.14 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 0.63 0.00 0.00 0.99 0.00 0.00 3 N 7.43 4.57 0.00 2.53 2.56 0.00 0.00 6.67 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 4 Q 7.83 4.37 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 5 H 8.54 4.62 0.00 3.16 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.09 4.77 0.00 1.53 1.51 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.45 4.74 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 9 S 8.96 4.12 0.00 4.01 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 10 H 7.86 4.22 0.00 3.35 3.44 0.00 5.81 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 11 L 7.88 3.91 0.00 1.81 1.79 0.77 0.82 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 12 V 7.95 3.22 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 1.23 0.00 0.00 1.00 0.00 0.00 13 E 8.77 4.23 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 14 A 8.33 4.22 1.50 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 15 L 8.02 3.81 0.00 1.21 1.28 -0.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.11 4.59 0.00 3.29 2.98 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 17 L 8.25 4.11 0.00 1.96 1.86 0.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.99 3.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 19 C 8.61 4.39 0.00 3.12 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 20 G 8.47 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 21 E 8.88 4.07 0.00 1.96 2.03 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 2.30 2.33 0.00 22 R 8.11 3.95 0.00 2.07 2.05 0.00 3.39 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 23 G 8.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 5.00 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.55 0.00 3.15 3.27 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 0.00 0.00 0.00 0.00 26 Y 7.72 4.38 0.00 2.57 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.02 4.29 4.08 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 0.00 0.00 0.00 1.18 0.00 0.00 28 P 0.00 3.99 0.00 2.18 2.17 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 29 K 8.24 4.07 0.00 2.01 2.01 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.36 7.81 30 T 7.08 4.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 31 K 8.75 4.32 0.00 1.87 1.96 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.53 7.81 32 R 7.66 4.22 0.00 1.94 2.09 0.00 3.38 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00