NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4782 8.1627 120.3289 55.4264 35.0157 177.0808 2 L 3.7626 7.7481 119.6986 57.8695 42.4879 177.3673 3 A 3.9966 8.9395 121.4697 55.5705 18.6344 178.7787 4 I 3.6891 7.7581 116.6740 64.5598 37.3116 178.5450 5 V 3.5890 8.1485 118.7902 66.1395 31.3665 177.7482 6 A 4.0591 8.5640 120.6937 55.5246 18.2281 178.5521 7 Y 4.1257 8.5153 118.1815 61.0930 38.8781 178.2339 8 I 3.7606 8.2377 120.4835 64.5668 37.3778 178.7012 9 G 3.6246 8.6015 106.6154 47.7386 0.0000 175.4921 10 F 4.3516 8.6892 123.7830 61.0973 39.4234 177.2865 11 L 3.9547 8.0560 118.3808 57.5724 41.3194 178.9923 12 A 3.9804 8.4762 121.1187 55.3344 18.2602 179.1416 13 L 3.8307 8.4267 118.7724 58.7258 42.0379 179.3580 14 F 4.0130 8.4886 117.2824 60.4500 38.8234 178.0521 15 T 4.0278 8.8325 116.1695 66.3997 68.2216 176.4260 16 G 3.8164 8.8275 108.1708 48.4088 0.0000 175.7135 17 I 3.7873 8.0101 122.6883 63.4319 36.9661 178.3902 18 A 3.9550 8.4582 121.9061 55.2562 18.2708 179.1870 19 A 3.9089 8.4833 119.3420 55.2381 18.4634 179.6948 20 G 3.9370 8.7378 103.8602 48.3204 0.0000 175.4139 21 L 3.9897 8.2349 122.7933 57.8070 41.9689 177.9648 22 L 3.7966 8.0187 120.7466 58.2250 41.7931 178.8850 23 F 4.3731 8.1353 117.2625 60.4571 38.9750 177.8828 24 G 3.7638 8.4435 105.5729 48.1583 0.0000 175.6242 25 L 4.1592 8.0788 121.2110 56.9425 41.6376 179.7548 26 R 4.0706 8.2952 118.7033 59.1772 29.7945 178.6578 27 S 4.1328 8.5910 111.9325 61.5114 62.4386 175.5908 28 A 4.2928 7.5414 118.9120 51.2414 18.2302 177.0151 29 K 3.9012 8.1262 116.9608 58.1793 30.4593 176.9038 30 I 4.0365 8.2960 120.6653 63.0719 37.8989 176.5274 31 L 4.2647 7.7548 123.2937 54.7821 41.6758 176.2004 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 4.48 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 2 L 7.75 3.76 0.00 1.85 1.68 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.94 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.69 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.97 0.00 0.00 5 V 8.15 3.59 2.12 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 1.04 0.00 0.00 0.98 0.00 0.00 6 A 8.56 4.06 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.52 4.13 0.00 3.16 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 8 I 8.24 3.76 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.77 0.95 0.00 0.00 9 G 8.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 4.35 0.00 3.32 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.95 0.00 1.53 1.57 0.17 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.48 3.98 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.43 3.83 0.00 1.72 2.07 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.49 4.01 0.00 3.39 3.08 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 0.00 15 T 8.83 4.03 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 16 G 8.83 3.82 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 0.00 0.00 0.00 17 I 8.01 3.79 1.66 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.82 0.00 0.00 18 A 8.46 3.95 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.48 3.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 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 21 L 8.23 3.99 0.00 2.13 1.65 0.92 0.78 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 22 L 8.02 3.80 0.00 1.64 1.34 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.14 4.37 0.00 3.24 3.03 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 0.00 0.00 0.00 24 G 8.44 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.08 4.16 0.00 1.93 1.71 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.30 4.07 0.00 2.11 2.05 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 27 S 8.59 4.13 0.00 4.05 4.06 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 28 A 7.54 4.29 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 29 K 8.13 3.90 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.40 7.81 30 I 8.30 4.04 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.91 0.00 0.00 31 L 7.75 4.26 0.00 1.61 1.54 0.86 0.79 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