NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8778 8.2133 109.7255 45.1349 0.0000 175.0430 2 I 3.7246 7.0596 120.4355 60.6801 38.0289 171.6306 3 V 4.1059 7.4796 119.6798 62.5215 32.7118 174.2880 4 E 4.7739 7.7676 122.7371 56.6880 35.4695 177.4457 5 Q 4.0395 8.1740 118.5735 58.2486 29.4223 175.7132 6 C 5.4453 7.9646 112.2358 56.0530 42.4581 174.9742 7 C 4.0542 7.4501 115.8625 60.9630 31.2911 173.8634 8 T 4.4910 7.0554 107.8044 60.7233 69.1444 174.2201 9 S 4.4761 7.4628 111.9395 57.6839 66.0804 176.2372 10 I 3.9656 8.6100 125.8118 62.0493 37.5656 175.8860 11 C 5.2246 8.3343 119.4083 55.3588 39.2925 173.8139 12 S 4.7225 7.7930 114.5801 57.0361 66.3854 175.0196 13 L 3.8875 7.6498 124.0223 58.3007 41.5233 178.7770 14 Y 4.3082 6.6457 115.6538 61.3056 38.2165 178.0030 15 Q 4.0587 8.0327 118.4340 58.9202 28.5305 178.5936 16 L 4.2916 7.9291 119.4977 57.1166 41.7442 178.7069 17 E 4.0811 8.0094 119.0763 58.4916 29.3802 178.0209 18 N 4.3925 7.4550 115.0850 55.5254 38.6275 175.7539 19 Y 4.6901 6.9091 115.8308 57.4030 38.5489 175.2899 20 C 4.3902 7.0980 120.4895 58.9286 32.4397 173.0737 21 N 4.5601 8.6078 119.9348 53.6985 38.0977 175.2095 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 G 8.21 3.88 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 0.00 0.00 0.00 2 I 7.06 3.72 1.62 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.09 0.81 0.00 0.00 3 V 7.48 4.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 4 E 7.77 4.77 0.00 1.96 1.82 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 2.20 2.20 0.00 5 Q 8.17 4.04 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 6 C 7.96 5.45 0.00 2.99 3.07 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 7 C 7.45 4.05 0.00 2.94 2.94 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 8 T 7.06 4.49 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 1.26 0.00 0.00 9 S 7.46 4.48 0.00 4.02 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 10 I 8.61 3.97 1.86 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 1.40 0.40 0.89 0.00 0.00 11 C 8.33 5.22 0.00 2.93 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 12 S 7.79 4.72 0.00 3.63 3.49 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 13 L 7.65 3.89 0.00 1.48 1.27 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.65 4.31 0.00 3.03 2.90 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 15 Q 8.03 4.06 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 7.93 4.29 0.00 1.85 1.79 0.97 0.95 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 17 E 8.01 4.08 0.00 2.27 2.05 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 2.31 2.37 0.00 18 N 7.45 4.39 0.00 2.28 2.59 0.00 0.00 6.78 8.35 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 19 Y 6.91 4.69 0.00 3.16 2.93 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 0.00 0.00 0.00 20 C 7.10 4.39 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.61 4.56 0.00 2.75 2.74 0.00 0.00 6.81 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00