NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4657 8.1627 120.6148 55.2966 34.2214 173.6795 2 K 4.6156 8.5937 127.9889 55.5295 33.6500 170.4258 3 V 4.9574 9.0932 120.5243 59.4856 36.5568 173.7392 4 I 5.0491 8.4911 123.4914 59.1715 40.4986 174.6744 5 F 4.6175 9.3442 128.8999 57.7053 39.5008 176.0543 6 L 4.5597 9.0754 122.7796 55.2955 42.5422 176.5708 7 K 4.8143 7.9457 116.3277 54.5890 36.5324 175.5383 8 D 4.8426 8.6872 122.1115 54.4869 41.9564 176.6006 9 V 4.5155 8.8320 116.0741 59.3656 36.3147 174.6631 10 K 4.0444 8.9196 127.1428 57.8345 32.3649 176.6744 11 G 3.9401 8.9466 113.2394 46.3349 0.0000 172.6351 12 M 4.5615 7.7344 116.4210 54.9240 34.2613 175.9631 13 G 2.7156 6.6540 104.0499 44.8595 0.0000 171.8418 14 K 4.8770 7.6912 117.9057 53.4787 35.3757 176.2180 15 K 4.0848 8.9960 122.9487 58.7059 32.2500 177.2112 16 G 4.0705 9.2257 115.3098 45.2381 0.0000 173.5353 17 E 4.3234 8.3166 119.7473 56.4317 30.8925 175.9518 18 I 5.1378 8.3547 122.5939 59.6683 39.9834 175.1322 19 K 4.7840 9.0570 125.5119 54.5958 36.7166 175.2896 20 N 5.0993 8.8544 121.0342 52.9428 39.0229 174.8496 21 V 4.7667 8.8340 116.7457 58.8378 35.9987 175.7839 22 A 4.2103 8.6701 124.5453 52.3273 19.1509 178.7546 23 D 4.4120 8.8301 121.3187 57.2944 40.8662 179.6049 24 G 3.5975 8.0312 105.8595 47.8623 0.0000 174.8438 25 Y 4.2952 8.0913 121.4463 60.4305 38.8188 177.9335 26 A 3.1403 7.8287 121.4369 55.0943 17.8133 179.4689 27 N 4.2778 8.2568 115.0862 55.8556 38.5322 176.6963 28 N 4.8327 8.2543 114.9682 53.3479 39.4788 174.5527 29 F 4.5425 7.7335 120.5128 59.1591 41.8501 176.5372 30 L 3.9400 8.3145 120.0372 57.9086 41.4302 179.8007 31 F 4.5710 8.1884 118.0752 60.4895 38.6458 177.6499 32 K 3.9149 7.3227 114.9611 59.2304 32.0226 177.8136 33 Q 4.2929 7.8253 115.2262 54.7886 28.9421 175.9420 34 G 3.8935 7.6994 107.9787 46.6308 0.0000 174.8627 35 L 4.5478 8.2320 121.6776 55.7969 43.1530 176.3136 36 A 4.9892 7.6854 118.1130 50.8054 22.3788 174.8573 37 I 4.2915 8.3302 111.9162 58.5121 41.7100 174.3639 38 E 4.4812 8.2202 123.3312 55.6272 30.0454 176.9770 39 A 4.4303 8.3410 131.3464 51.7501 18.2329 178.2642 40 T 4.1559 7.2918 113.6618 60.7892 71.5708 173.2848 41 P 4.1898 0.0000 0.0000 65.7762 31.3903 178.8085 42 A 3.9693 7.9154 118.9811 55.3714 18.2875 179.3486 43 N 4.2961 8.2499 114.9420 56.2887 38.5143 177.7460 44 L 3.9605 8.2286 120.8297 57.5308 41.6876 179.4274 45 K 3.8745 8.2514 119.4145 59.5525 32.2750 178.7534 46 A 4.0044 7.9312 120.9494 55.0986 18.2819 179.6593 47 L 3.9497 8.2280 117.8651 57.8783 41.7265 179.2648 48 E 3.9470 8.5050 119.3081 59.1971 29.2891 178.8073 49 A 4.0228 7.8200 120.1635 55.0452 18.4976 179.3789 50 Q 4.0638 7.7165 115.2276 58.8761 28.9017 178.4726 51 K 4.0402 7.7916 119.1544 59.6934 32.3873 176.9819 52 Q 4.2981 7.9126 120.9643 56.3101 28.8052 176.2823 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 M 8.16 4.47 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 2 K 8.59 4.62 0.00 1.98 1.68 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.73 7.81 3 V 9.09 4.96 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 0.71 0.00 0.00 0.66 0.00 0.00 4 I 8.49 5.05 1.89 0.00 0.00 0.89 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 1.76 0.89 0.00 0.00 5 F 9.34 4.62 0.00 3.28 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 6 L 9.08 4.56 0.00 1.50 1.73 0.89 0.84 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 7 K 7.95 4.81 0.00 1.69 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 8 D 8.69 4.84 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.83 4.52 2.23 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 0.91 0.00 0.00 1.18 0.00 0.00 10 K 8.92 4.04 0.00 1.72 1.74 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 G 8.95 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 0.00 0.00 0.00 12 M 7.73 4.56 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 13 G 6.65 2.72 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 0.00 0.00 0.00 14 K 7.69 4.88 0.00 1.74 1.69 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.22 7.81 15 K 9.00 4.08 0.00 1.71 1.79 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 16 G 9.23 4.07 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 0.00 0.00 0.00 17 E 8.32 4.32 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 18 I 8.35 5.14 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.99 0.00 0.00 19 K 9.06 4.78 0.00 1.92 1.77 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 20 N 8.85 5.10 0.00 2.62 2.80 0.00 0.00 6.75 7.68 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 21 V 8.83 4.77 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 0.76 0.00 0.00 0.65 0.00 0.00 22 A 8.67 4.21 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.83 4.41 0.00 2.70 2.72 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 24 G 8.03 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.09 4.30 0.00 2.94 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 26 A 7.83 3.14 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.28 0.00 2.79 2.90 0.00 0.00 7.06 6.48 0.00 0.00 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 N 8.25 4.83 0.00 2.88 2.91 0.00 0.00 6.76 7.41 0.00 0.00 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 F 7.73 4.54 0.00 3.18 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 3.94 0.00 1.35 1.46 0.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.19 4.57 0.00 2.90 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 32 K 7.32 3.91 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.47 7.81 33 Q 7.83 4.29 0.00 1.71 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 1.74 1.38 0.00 34 G 7.70 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.23 4.55 0.00 1.63 1.87 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.69 4.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.33 4.29 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.22 0.73 0.00 0.00 38 E 8.22 4.48 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 39 A 8.34 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.29 4.16 4.22 0.00 0.00 0.00 0.00 0.00 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 41 P 0.00 4.19 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 42 A 7.92 3.97 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 43 N 8.25 4.30 0.00 2.91 2.82 0.00 0.00 7.08 6.10 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 44 L 8.23 3.96 0.00 1.67 1.71 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.25 3.87 0.00 1.92 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.93 4.00 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 47 L 8.23 3.95 0.00 1.68 1.73 0.91 1.08 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 48 E 8.51 3.95 0.00 2.11 2.18 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 2.31 2.33 0.00 49 A 7.82 4.02 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 50 Q 7.72 4.06 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 51 K 7.79 4.04 0.00 1.88 2.00 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 52 Q 7.91 4.30 0.00 2.27 2.01 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 2.40 2.50 0.00