NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3449 8.2549 119.7063 56.6928 32.6277 177.3752 2 M 3.9859 8.0112 117.0765 57.3709 31.9990 176.5745 3 K 3.7594 8.3149 119.5671 59.8463 32.5563 177.3164 4 Q 3.9482 8.2072 118.8857 59.7025 28.7198 178.9903 5 L 4.0197 7.8798 118.9314 57.1020 41.4957 178.4461 6 E 4.4387 8.6411 117.4174 57.2590 29.8860 177.4607 7 D 4.4421 8.4156 120.6318 56.6132 40.8763 178.4203 8 K 4.0303 7.6660 118.4929 59.8650 32.5987 178.4485 9 V 3.5871 7.5235 118.7224 65.8725 31.8170 177.6798 10 E 4.0431 8.0152 119.3160 59.2556 29.5289 178.0232 11 E 3.8937 8.0520 117.6163 60.1167 29.2207 179.1854 12 L 3.9899 8.0396 120.5568 56.7714 41.2410 179.0602 13 L 4.1393 8.3248 120.2342 56.8717 41.8565 178.4639 14 S 4.3939 8.4370 113.8445 60.8937 63.6725 176.1379 15 K 4.0938 8.3125 121.5146 59.3366 31.7725 179.0222 16 A 3.9571 7.8461 120.8939 55.4376 18.6570 179.0449 17 Y 4.2118 7.8828 117.4748 61.2590 38.7526 177.7341 18 H 4.1606 8.4624 119.1744 59.1518 30.0381 177.2404 19 L 3.9225 7.8007 120.4509 57.3450 41.3553 179.0049 20 E 3.9569 7.6767 117.7645 60.0441 29.5847 178.3136 21 N 4.1468 8.3872 115.6821 56.3731 38.6008 178.2961 22 E 3.7970 8.1758 119.0957 58.8618 29.7359 179.5711 23 V 3.8596 7.8352 116.1625 63.8987 31.6748 177.0974 24 A 4.2758 8.7446 121.0804 54.9115 19.7204 178.9494 25 R 3.8313 7.8621 116.6790 59.5878 29.8521 178.4697 26 L 3.9365 7.5464 117.1217 57.9370 41.7783 179.2274 27 K 3.9842 7.4608 117.1925 59.1741 32.1032 179.0440 28 K 4.2364 8.0872 118.8580 59.5785 32.7427 179.5600 29 L 4.4505 7.5517 117.0003 54.0740 41.5501 177.2971 30 V 3.9532 7.9676 125.4430 63.5788 31.8702 172.9361 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 R 8.25 4.34 0.00 1.82 2.05 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 2 M 8.01 3.99 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 3 K 8.31 3.76 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 4 Q 8.21 3.95 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 5 L 7.88 4.02 0.00 1.90 1.71 0.92 0.87 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 6 E 8.64 4.44 0.00 1.95 1.96 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 2.26 2.69 0.00 7 D 8.42 4.44 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.03 0.00 2.11 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.62 7.81 9 V 7.52 3.59 2.24 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 0.85 0.00 0.00 0.95 0.00 0.00 10 E 8.02 4.04 0.00 2.17 1.97 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 2.29 2.34 0.00 11 E 8.05 3.89 0.00 2.26 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 0.00 2.44 2.37 0.00 12 L 8.04 3.99 0.00 1.92 1.80 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.32 4.14 0.00 1.88 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 4.39 0.00 4.09 3.99 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 0.00 0.00 0.00 0.00 15 K 8.31 4.09 0.00 1.86 1.92 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.57 1.54 7.81 16 A 7.85 3.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.21 0.00 3.12 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 18 H 8.46 4.16 0.00 3.25 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.80 3.92 0.00 1.90 1.65 0.91 0.90 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 20 E 7.68 3.96 0.00 2.07 2.01 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 2.36 2.56 0.00 21 N 8.39 4.15 0.00 2.86 2.70 0.00 0.00 7.10 7.01 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 22 E 8.18 3.80 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 23 V 7.84 3.86 2.16 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 1.00 0.00 0.00 0.91 0.00 0.00 24 A 8.74 4.28 1.27 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 0.00 0.00 0.00 25 R 7.86 3.83 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 26 L 7.55 3.94 0.00 1.68 1.70 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.46 3.98 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.58 7.81 28 K 8.09 4.24 0.00 1.99 2.04 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.42 7.81 29 L 7.55 4.45 0.00 1.65 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.97 3.95 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 0.62 0.00 0.00 0.99 0.00 0.00