NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3606 8.2649 123.5394 52.0401 19.9571 175.5970 2 F 4.7670 8.4141 116.7402 55.7037 43.2304 172.8756 3 T 4.7245 9.4518 119.2633 62.0395 71.8968 173.4517 4 C 5.4172 8.6251 122.1090 55.5494 42.5951 173.0545 5 H 4.8732 8.7942 117.4957 54.4221 33.3613 172.4619 6 C 5.1909 8.9050 119.5978 56.5412 36.1100 173.0319 7 R 4.6693 8.6447 123.3091 53.8279 32.6167 177.6228 8 R 3.7076 8.3854 121.9541 58.9536 30.3737 177.0560 9 S 4.5949 7.4632 110.3577 56.4534 65.4387 174.0354 10 C 4.4965 8.6069 124.7070 56.7636 41.8706 173.2905 11 Y 4.6991 8.7962 121.1965 57.8213 38.0389 177.7243 12 S 4.1186 8.6973 117.0981 61.3420 63.0707 175.3533 13 T 4.1176 7.8879 108.7597 62.2313 69.1987 173.9383 14 E 4.7077 7.8653 121.8731 55.2712 32.0425 174.7934 15 Y 4.7309 8.4034 118.9169 56.5649 40.4921 175.0592 16 S 4.9664 8.4912 117.3864 58.2786 63.0604 173.2016 17 Y 4.6178 9.7554 122.6704 56.9955 39.9480 176.7340 18 G 4.0133 6.5371 106.4314 46.1915 0.0000 171.1788 19 T 5.1962 8.2230 110.0606 60.0974 72.6277 174.2123 20 C 5.0722 9.2888 119.6807 55.5658 43.1990 173.2899 21 T 5.1738 8.6208 120.2035 61.6421 71.3753 173.8490 22 V 4.2881 8.5174 125.2165 62.1768 34.8109 175.7448 23 M 3.1022 8.4322 128.4232 56.8515 31.7200 177.7772 24 G 3.9774 8.8698 116.0505 46.4745 0.0000 172.3222 25 I 4.3785 8.2931 121.9763 59.1832 38.8958 174.1939 26 N 5.2701 8.7817 122.3386 52.0849 40.5466 173.7848 27 H 5.0738 9.4819 121.4542 54.3564 32.2782 173.9849 28 R 4.9853 9.0112 118.6486 54.8654 32.8608 176.2322 29 F 4.9912 9.4005 125.6351 57.7947 40.0437 173.2760 30 C 5.5207 8.9613 124.8107 55.3268 43.3615 172.7094 31 C 5.6607 9.6097 120.5337 55.0318 44.4854 174.0146 32 L 4.4870 8.5737 122.8946 55.3613 41.6491 176.0401 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 A 8.26 4.36 1.23 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 0.00 0.00 0.00 2 F 8.41 4.77 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.45 4.72 4.27 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 1.19 0.00 0.00 4 C 8.63 5.42 0.00 2.38 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 0.00 0.00 0.00 5 H 8.79 4.87 0.00 2.87 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.91 5.19 0.00 2.94 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.64 4.67 0.00 1.64 1.72 0.00 2.81 0.00 0.00 2.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.35 0.00 8 R 8.39 3.71 0.00 1.59 1.88 0.00 3.22 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 9 S 7.46 4.59 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.61 4.50 0.00 2.99 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 11 Y 8.80 4.70 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.70 4.12 0.00 3.96 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 13 T 7.89 4.12 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 1.19 0.00 0.00 14 E 7.87 4.71 0.00 1.93 1.85 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 2.23 2.29 0.00 15 Y 8.40 4.73 0.00 2.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.97 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.76 4.62 0.00 3.15 3.02 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 18 G 6.54 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 0.00 0.00 0.00 19 T 8.22 5.20 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 1.25 0.00 0.00 20 C 9.29 5.07 0.00 2.90 3.06 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 0.00 0.00 0.00 21 T 8.62 5.17 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 1.21 0.00 0.00 22 V 8.52 4.29 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 0.87 0.00 0.00 0.91 0.00 0.00 23 M 8.43 3.10 0.00 2.12 1.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 24 G 8.87 3.98 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 0.00 0.00 0.00 25 I 8.29 4.38 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 1.31 0.99 0.90 0.00 0.00 26 N 8.78 5.27 0.00 2.60 2.76 0.00 0.00 6.98 8.16 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 27 H 9.48 5.07 0.00 3.18 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.01 4.99 0.00 1.72 1.87 0.00 3.13 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 29 F 9.40 4.99 0.00 3.11 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 30 C 8.96 5.52 0.00 2.71 2.94 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 31 C 9.61 5.66 0.00 3.16 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 32 L 8.57 4.49 0.00 1.64 1.52 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00