NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3481 8.2033 119.6867 55.6878 31.2980 177.1703 3 K 3.9017 7.9498 117.7509 58.7340 32.0980 177.6195 4 Q 4.0233 8.8268 119.3642 58.8999 29.1241 178.3025 5 I 3.7032 7.7271 120.0360 64.4937 37.2812 178.2823 6 A 4.1354 7.9718 121.5267 55.0071 18.1110 179.2194 7 N 4.2883 8.7764 116.0379 56.9868 39.1979 177.0215 8 Q 4.0039 8.0277 119.1919 58.9303 28.7004 178.7010 9 F 4.1289 8.7584 121.8722 61.5735 39.4939 176.8439 10 N 4.2024 8.8413 116.4081 56.1501 38.3373 177.3561 11 K 3.8469 8.3135 120.8268 59.3202 32.2597 178.5686 12 A 3.8850 7.7180 120.6635 55.4048 18.2290 179.6552 13 I 3.4121 7.5307 118.3786 64.3014 37.1370 178.5330 14 S 4.2669 7.7730 115.2481 60.9505 62.1753 176.2406 15 Q 3.9593 7.9105 120.5158 59.1002 28.3873 178.8416 16 I 3.7356 7.9094 122.4073 63.9041 36.8493 178.4932 17 Q 3.9414 8.2960 118.9500 58.8679 28.4637 178.4382 18 E 4.0008 8.1147 120.4320 59.1450 29.3072 178.8715 19 S 4.0935 8.2213 114.4338 61.4774 62.8414 176.2016 20 L 4.0140 8.0865 123.2475 57.9128 41.4953 179.8388 21 T 3.8684 7.8620 109.2712 65.0148 68.7179 176.5391 22 T 3.8359 8.2689 118.9852 66.7018 68.4257 176.5767 23 T 3.8470 8.2550 117.8631 66.8179 68.5269 176.6834 24 S 4.0793 8.2892 115.1179 61.5148 62.3496 176.3251 25 T 3.8160 7.9243 118.2164 66.6343 68.2408 176.4295 26 A 4.0206 8.0643 122.5962 55.2416 18.2713 179.7221 27 L 4.0715 8.2964 117.7975 57.7227 41.5826 179.8883 28 G 3.6145 8.0593 105.8189 47.7739 0.0000 175.9697 29 K 4.0007 8.1141 120.9760 59.0520 32.0836 179.5157 30 L 3.9778 7.8906 119.3041 57.8813 41.5705 179.2933 31 Q 3.9771 8.3535 119.7302 59.2327 28.9418 178.0139 32 D 4.2908 8.3305 120.0126 57.5743 40.8705 178.9834 33 V 3.8499 7.8289 119.8548 65.4067 31.5053 178.2700 34 V 3.5722 7.9503 118.0549 66.0345 31.3785 177.8156 35 N 4.3487 8.1556 116.2344 56.4943 37.9774 177.5283 36 Q 4.0097 8.2170 119.4338 58.9862 28.7972 178.3945 37 N 4.3883 8.5346 117.6676 56.3016 38.5586 177.2771 38 A 4.1095 8.0935 121.9605 54.6453 18.4345 179.8345 39 Q 3.8637 8.2763 116.8887 59.0739 28.8341 178.3164 40 A 3.9687 7.9761 121.7837 55.3232 18.3419 179.5222 41 L 3.8905 7.8988 118.4632 58.3666 42.2063 178.8876 42 N 4.3439 8.0942 116.7235 56.6087 38.3074 177.6058 43 T 3.9680 8.3068 110.1066 64.1711 69.0736 176.1104 44 L 4.0514 8.0325 123.6762 58.1641 41.9055 178.7281 45 V 3.5141 7.8134 116.5568 66.5240 31.4927 177.8706 46 K 4.3388 7.6598 117.9825 59.4864 32.4112 176.2670 47 Q 4.2899 7.7339 121.2834 56.1507 28.8906 175.7573 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 2 Q 8.20 4.35 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 3 K 7.95 3.90 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.59 7.81 4 Q 8.83 4.02 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 5 I 7.73 3.70 1.86 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 1.58 0.57 0.89 0.00 0.00 6 A 7.97 4.14 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 7 N 8.78 4.29 0.00 2.91 2.85 0.00 0.00 7.19 7.44 0.00 0.00 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 Q 8.03 4.00 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 9 F 8.76 4.13 0.00 3.12 3.28 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 0.00 10 N 8.84 4.20 0.00 2.96 2.87 0.00 0.00 6.76 7.03 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 11 K 8.31 3.85 0.00 1.81 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.44 7.81 12 A 7.72 3.89 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.53 3.41 1.52 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.23 0.77 0.00 0.00 14 S 7.77 4.27 0.00 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.96 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 16 I 7.91 3.74 1.91 0.00 0.00 0.79 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 1.13 0.87 0.00 0.00 17 Q 8.30 3.94 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 18 E 8.11 4.00 0.00 2.05 2.02 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 2.29 2.30 0.00 19 S 8.22 4.09 0.00 4.07 4.09 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 20 L 8.09 4.01 0.00 1.85 1.77 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.86 3.87 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 1.27 0.00 0.00 22 T 8.27 3.84 4.45 0.00 0.00 0.00 0.00 0.00 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 23 T 8.25 3.85 4.45 0.00 0.00 0.00 0.00 0.00 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 24 S 8.29 4.08 0.00 3.87 3.96 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 25 T 7.92 3.82 4.46 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 1.21 0.00 0.00 26 A 8.06 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.07 0.00 1.84 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.00 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 30 L 7.89 3.98 0.00 1.84 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.35 3.98 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.33 4.29 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.85 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 1.21 0.00 0.00 0.93 0.00 0.00 34 V 7.95 3.57 2.15 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 0.97 0.00 0.00 0.96 0.00 0.00 35 N 8.16 4.35 0.00 3.04 2.85 0.00 0.00 7.07 7.99 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 36 Q 8.22 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 37 N 8.53 4.39 0.00 2.87 2.87 0.00 0.00 6.92 8.30 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 38 A 8.09 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.28 3.86 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 40 A 7.98 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.90 3.89 0.00 1.88 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.09 4.34 0.00 2.99 2.85 0.00 0.00 6.83 7.17 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 43 T 8.31 3.97 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 44 L 8.03 4.05 0.00 1.89 1.91 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.81 3.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 46 K 7.66 4.34 0.00 1.95 1.94 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.58 7.81 47 Q 7.73 4.29 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.32 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00