NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4119 8.1585 120.3267 55.0019 33.8377 177.0654 2 A 3.8132 9.0522 125.9994 55.6862 19.2066 178.2285 3 Q 3.9790 8.8929 117.3912 59.3450 29.2256 177.3007 4 D 4.3800 8.0053 119.2698 57.2717 40.9925 178.6152 5 I 3.6927 8.2082 120.7244 64.4939 37.1606 178.5703 6 I 3.6890 8.2417 120.8335 64.4194 36.9177 178.5892 7 S 4.0738 8.4779 116.3291 61.9221 62.6814 176.9204 8 T 3.9694 8.3095 118.5319 66.8655 68.2674 176.5899 9 I 3.7874 8.2768 122.1031 64.3093 37.1027 178.5660 10 G 3.5364 8.5216 106.7035 47.9912 0.0000 175.3109 11 D 3.7306 8.2615 122.0892 56.6248 40.8274 178.8469 12 L 3.8461 8.0545 119.7071 57.8881 41.7064 179.5877 13 V 3.5091 8.0244 118.2064 65.9766 31.2989 177.9131 14 K 3.6344 7.8181 118.2968 59.3847 31.8268 179.3195 15 W 4.6035 6.9516 118.3617 59.8564 28.9580 178.5191 16 I 3.7703 8.2938 120.2143 64.6402 36.5546 178.5637 17 I 3.7072 8.2699 120.6353 64.4496 36.9495 177.9030 18 D 4.4511 8.5695 120.0964 58.0742 40.6868 179.1072 19 T 4.0693 8.6087 116.1404 66.7289 68.5009 176.8319 20 V 3.9294 8.3297 121.5566 65.8325 31.4504 177.9457 21 N 4.4048 8.6209 115.0414 56.3343 38.4463 176.7773 22 K 3.9472 8.6861 119.6656 56.9170 32.3941 177.5334 23 F 4.4290 7.7811 129.7587 57.0230 38.7731 175.5512 24 T 4.9772 7.9088 124.1497 62.2920 66.6034 173.5035 25 K 3.6832 8.3179 123.6507 57.0566 28.9565 176.4308 26 K 4.3129 8.3196 120.3989 56.7783 32.0390 175.6831 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 4.41 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 A 9.05 3.81 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 3 Q 8.89 3.98 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 4 D 8.01 4.38 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.69 1.99 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 1.52 0.64 0.91 0.00 0.00 6 I 8.24 3.69 1.91 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 1.51 0.63 0.89 0.00 0.00 7 S 8.48 4.07 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 3.97 4.38 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 1.24 0.00 0.00 9 I 8.28 3.79 1.95 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 1.44 0.71 0.87 0.00 0.00 10 G 8.52 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 3.73 0.00 2.75 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 L 8.05 3.85 0.00 1.74 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.02 3.51 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 14 K 7.82 3.63 0.00 0.79 1.37 0.00 0.97 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.25 7.81 15 W 6.95 4.60 0.00 3.38 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 3.77 1.98 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 1.57 0.91 0.93 0.00 0.00 17 I 8.27 3.71 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.96 0.00 0.00 18 D 8.57 4.45 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.07 4.37 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 1.34 0.00 0.00 20 V 8.33 3.93 2.32 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 21 N 8.62 4.40 0.00 2.71 2.86 0.00 0.00 7.18 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.69 3.95 0.00 1.87 1.18 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.57 7.81 23 F 7.78 4.43 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.98 4.26 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 1.23 0.00 0.00 25 K 8.32 3.68 0.00 1.95 1.91 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.48 7.81 26 K 8.32 4.31 0.00 1.95 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81