NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.4313 8.3293 118.8270 55.6043 29.9799 176.4930 0 P 4.5164 0.0000 0.0000 61.4469 31.7855 176.7749 1 Q 4.0555 9.2034 115.0239 56.8305 30.1205 177.6427 2 A 5.0080 7.3422 129.4810 52.1943 20.9689 174.7899 3 V 4.2555 7.5989 123.6406 62.5107 36.7597 173.7704 4 H 3.8930 7.9979 115.9953 57.5114 28.0157 175.5804 5 T 2.0000 7.4827 106.4272 61.9468 69.2089 168.7645 6 Y 4.8245 6.2139 115.8052 57.6822 41.2699 174.6399 7 C 4.3584 9.0042 117.5577 60.8183 30.8922 172.3543 8 G 3.9670 8.9312 116.7322 46.3937 0.0000 170.6628 9 R 3.8537 8.0156 121.7842 57.1496 30.2834 177.3961 10 H 3.7013 7.6029 114.7029 58.2406 29.2112 177.0278 11 L 4.5291 8.0891 117.4628 55.5342 42.3521 178.0780 12 A 4.1684 8.6730 119.9079 53.6424 18.5150 178.4537 13 R 4.2207 7.7370 116.2822 57.8470 30.5742 178.2836 14 T 3.8660 7.2364 115.1775 66.6049 68.1327 176.0631 15 L 4.4393 7.6407 117.2520 55.4352 41.2208 178.0357 16 A 4.3615 7.5506 120.9704 52.2934 20.5223 177.7587 17 D 4.6516 8.0955 115.6680 54.8818 42.2785 178.2896 18 L 4.1059 7.7525 119.1450 57.8248 41.9561 178.6095 19 C 4.1652 7.4714 114.1917 61.7806 28.4250 175.3761 20 W 4.1745 8.1529 129.9654 59.6563 30.4375 177.1962 21 E 4.4173 8.1258 116.1929 57.7004 29.3606 177.8704 22 A 4.4223 8.6589 120.4384 52.2364 19.9728 176.1665 23 G 3.4601 7.2118 111.6254 44.1547 0.0000 173.7213 24 V 2.9570 7.3468 125.6269 65.5211 31.9378 175.7512 25 D 4.4369 7.6590 123.3513 54.8635 40.5743 176.0621 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 Q 8.33 4.43 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 0 P 0.00 4.52 0.00 2.23 2.00 0.00 3.47 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 1 Q 9.20 4.06 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 2 A 7.34 5.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 4 H 8.00 3.89 0.00 3.23 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.48 2.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 6 Y 6.21 4.82 0.00 3.09 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 7 C 9.00 4.36 0.00 2.95 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 8 G 8.93 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.02 3.85 0.00 1.93 1.68 0.00 2.90 0.00 0.00 3.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 H 7.60 3.70 0.00 3.32 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.09 4.53 0.00 1.72 1.75 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.67 4.17 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 13 R 7.74 4.22 0.00 1.88 1.86 0.00 3.14 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 14 T 7.24 3.87 4.42 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 1.26 0.00 0.00 15 L 7.64 4.44 0.00 1.72 1.71 0.95 0.76 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 16 A 7.55 4.36 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.65 0.00 2.90 2.62 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 18 L 7.75 4.11 0.00 1.78 1.73 0.98 1.02 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 19 C 7.47 4.17 0.00 3.06 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 20 W 8.15 4.17 0.00 3.53 3.37 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 0.00 21 E 8.13 4.42 0.00 2.10 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 2.54 2.68 0.00 22 A 8.66 4.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.21 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 2.96 1.58 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 -0.16 0.00 0.00 -0.24 0.00 0.00 25 D 7.66 4.44 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00