NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9741 8.3549 109.7384 45.6876 0.0000 173.0485 2 Y 4.6755 7.6488 115.2878 54.4079 40.5938 174.5015 3 I 4.2903 7.8904 115.2623 59.2129 40.2003 173.4859 4 P 4.7270 0.0000 0.0000 61.5147 32.5530 175.5606 5 E 3.9936 8.7460 120.3834 56.5928 30.0677 176.5388 6 A 4.2672 7.6244 127.5339 50.0884 19.8478 175.4492 7 P 4.3548 0.0000 0.0000 63.3177 32.3963 177.3425 8 R 4.6333 8.3084 118.7616 55.6509 29.6609 176.0850 9 D 4.7292 7.9908 112.7148 53.0286 40.1935 177.7371 10 G 3.8565 8.3135 105.9108 46.2995 0.0000 173.5655 11 Q 4.4528 7.8841 116.7960 53.7432 31.3008 174.4392 12 A 4.5499 7.8600 121.2432 50.7949 21.0138 175.7325 13 Y 5.3046 8.3545 118.6470 56.2354 41.4272 175.2297 14 V 4.5663 9.4474 122.0614 61.3239 35.0279 174.5838 15 R 4.4212 8.5888 125.2941 54.4923 30.9346 175.1676 16 K 4.4810 8.3289 127.5153 55.7146 35.5851 175.6247 17 D 4.3514 9.6863 123.5084 54.5963 38.1824 174.0398 18 G 3.8070 8.1467 101.8445 47.2108 0.0000 172.8868 19 E 4.5122 8.0017 118.1806 53.8797 34.4452 174.7596 20 W 5.1264 8.4147 121.1137 55.9940 30.0339 176.2402 21 V 4.7660 9.0304 119.3814 59.1695 33.9263 175.5927 22 L 4.0447 9.0519 124.7739 55.4753 41.9195 177.8364 23 L 3.9414 9.4094 126.9905 58.3450 42.0772 179.0500 24 S 3.8444 8.2596 113.5841 62.0399 62.2784 176.4263 25 T 3.9442 7.9238 117.9925 65.4906 68.2126 175.4468 26 F 4.5325 9.2663 118.9110 57.0179 39.4246 175.4931 27 L 4.3471 7.9791 126.6569 55.0783 42.0330 175.7128 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 8.35 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 2 Y 7.65 4.68 0.00 2.94 2.86 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 0.00 0.00 0.00 3 I 7.89 4.29 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.72 0.00 0.00 4 P 0.00 4.73 0.00 2.27 2.14 0.00 3.43 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 5 E 8.75 3.99 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 6 A 7.62 4.27 -0.03 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 0.00 0.00 7 P 0.00 4.35 0.00 2.41 2.07 0.00 2.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 8 R 8.31 4.63 0.00 1.75 1.87 0.00 3.21 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 9 D 7.99 4.73 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.88 4.45 0.00 2.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 12 A 7.86 4.55 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 5.30 0.00 2.66 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.45 4.57 1.85 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 0.77 0.00 0.00 0.77 0.00 0.00 15 R 8.59 4.42 0.00 1.84 1.66 0.00 2.70 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 16 K 8.33 4.48 0.00 1.83 1.60 0.00 2.09 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 17 D 9.69 4.35 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 4.51 0.00 2.03 1.73 0.00 0.00 0.00 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 2.31 0.00 20 W 8.41 5.13 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 4.77 2.45 0.00 0.00 0.00 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 1.23 0.00 0.00 22 L 9.05 4.04 0.00 1.71 1.67 1.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.41 3.94 0.00 1.66 1.61 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.26 3.84 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 3.94 4.57 0.00 0.00 0.00 0.00 0.00 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 26 F 9.27 4.53 0.00 2.93 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.98 4.35 0.00 1.60 1.52 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00