NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3621 8.3349 115.2897 58.2773 63.5032 172.6597 2 S 4.6138 8.1209 120.0692 56.1720 65.2568 173.2303 3 D 4.5711 8.1164 121.8428 53.5462 43.4064 175.7117 4 P 4.2508 0.0000 0.0000 66.1147 31.4201 178.6254 5 L 3.9265 7.9267 119.5219 57.5302 41.9144 179.1287 6 V 3.5617 7.5379 117.9811 65.9785 31.8446 178.0769 7 V 3.6257 7.8545 117.7146 65.6890 31.1573 177.8067 8 A 3.9285 8.2606 120.6408 55.1980 18.1061 179.3368 9 A 3.9407 7.9540 118.8322 55.4085 18.3321 180.1909 10 S 4.1069 8.1252 113.6871 61.7972 63.0509 176.7069 11 I 3.7383 7.5230 122.0591 64.5780 36.3923 178.4343 12 I 3.7290 8.1794 120.6756 64.4099 36.9311 178.3714 13 A 4.0593 7.6868 121.4282 55.1836 18.4210 179.8054 14 I 3.7909 8.4340 118.6718 64.1394 37.2232 178.3007 15 L 4.3034 8.1024 119.4529 56.8585 41.5765 178.8010 16 H 4.1758 7.8132 118.2323 59.3263 29.8707 176.8197 17 L 3.9963 7.8180 121.6085 58.3325 41.5702 179.2665 18 I 3.7679 7.3674 118.4896 64.4396 37.1706 178.4149 19 L 4.0551 7.8385 118.9030 56.8830 41.3278 179.4612 20 W 3.8359 8.0745 128.9719 60.3818 30.9899 177.8609 21 I 3.9804 8.3992 118.2540 62.8733 36.2145 177.3692 22 L 4.3573 7.1212 119.8344 56.0695 42.9263 177.7071 23 D 4.3066 7.5691 117.1412 57.1921 41.2011 178.1548 24 R 3.5892 7.4761 117.9869 59.1367 30.1784 176.4033 25 L 4.1332 6.9322 122.1965 55.6800 42.2070 176.3739 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 4.36 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.61 0.00 3.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.57 0.00 2.76 2.58 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 0.00 0.00 0.00 0.00 4 P 0.00 4.25 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 5 L 7.93 3.93 0.00 1.77 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.54 3.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 7 V 7.85 3.63 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 0.96 0.00 0.00 0.99 0.00 0.00 8 A 8.26 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.11 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.74 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.17 0.92 0.00 0.00 12 I 8.18 3.73 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 0.92 0.00 0.00 13 A 7.69 4.06 1.38 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 0.00 0.00 0.00 14 I 8.43 3.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.10 0.93 0.00 0.00 15 L 8.10 4.30 0.00 1.74 1.74 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.81 4.18 0.00 3.40 3.56 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.82 4.00 0.00 1.81 1.84 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.37 3.77 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.64 0.93 0.00 0.00 19 L 7.84 4.06 0.00 1.74 1.73 0.95 0.90 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 20 W 8.07 3.84 0.00 3.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.98 2.18 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.12 0.98 0.00 0.00 22 L 7.12 4.36 0.00 1.50 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.57 4.31 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 3.59 0.00 0.67 1.29 0.00 3.22 0.00 0.00 2.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 25 L 6.93 4.13 0.00 1.95 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00