NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2306 8.3301 115.2901 57.8784 64.2995 172.5795 2 A 3.4735 8.1453 121.8879 52.0470 14.5378 171.3460 3 V 4.2187 7.6998 113.8543 61.1925 35.2485 174.8630 4 L 4.5810 7.6884 118.8813 53.5500 41.8851 175.4080 5 Q 4.1497 8.5840 125.2144 55.0832 29.2885 175.7185 6 K 4.4580 8.3782 125.7107 55.5912 34.2198 176.0024 7 K 4.7610 8.3312 117.3570 54.8878 35.7978 177.9946 8 I 3.8381 8.3511 122.5487 64.5293 37.2376 178.5648 9 T 4.2368 7.7247 108.5162 63.5208 68.7001 175.1047 10 D 4.3177 8.2959 122.1777 56.4140 41.0435 176.6100 11 Y 4.4353 7.8144 115.0642 58.3689 39.5408 175.8135 12 F 5.3215 8.2766 118.3791 56.1710 40.8979 174.5509 13 H 5.1157 8.4158 119.9971 52.8693 32.2760 171.4549 14 P 4.3193 0.0000 0.0000 62.3121 32.0723 176.6812 15 K 3.9308 8.4840 121.5581 57.7439 32.5130 176.8464 16 K 4.1993 8.0668 123.0687 56.5851 32.7304 175.4069 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 S 8.33 4.23 0.00 3.85 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 2 A 8.15 3.47 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 4.22 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 0.80 0.00 0.00 0.93 0.00 0.00 4 L 7.69 4.58 0.00 1.70 1.64 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.58 4.15 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 6 K 8.38 4.46 0.00 1.96 1.96 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.51 1.58 7.81 7 K 8.33 4.76 0.00 1.70 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 8 I 8.35 3.84 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.88 0.00 0.00 9 T 7.72 4.24 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 1.23 0.00 0.00 10 D 8.30 4.32 0.00 2.22 2.35 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 11 Y 7.81 4.44 0.00 2.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 5.32 0.00 3.05 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 13 H 8.42 5.12 0.00 3.11 3.20 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.32 0.00 2.06 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 15 K 8.48 3.93 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 16 K 8.07 4.20 0.00 1.92 1.90 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.35 7.81