NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0183 8.3544 109.7368 45.1563 0.0000 174.3221 2 I 3.8949 7.3356 117.8233 60.5382 40.1714 171.6749 3 V 3.4850 7.6621 119.4919 65.9437 32.1944 176.9659 4 E 3.4494 8.0329 118.1658 58.7197 29.5447 177.9413 5 Q 4.1901 7.8406 118.2294 58.3388 29.7709 177.1276 6 C 4.7216 8.2970 116.4093 57.8418 41.2099 174.7465 7 C 4.2237 8.6605 119.4013 60.3505 31.2064 174.7664 8 T 4.2685 7.6110 110.1626 64.7194 69.3387 177.5431 9 S 4.4859 7.8353 116.8471 56.5081 64.1015 170.8335 10 I 3.3010 7.7305 127.7595 60.9476 37.5820 173.4733 11 C 4.7238 8.4285 121.0281 55.8021 37.0019 173.8188 12 S 4.6125 8.1738 116.6410 57.6452 64.5365 175.2673 13 L 3.8553 8.2439 124.4551 58.7490 42.0088 178.4714 14 Y 4.2081 7.6086 116.0772 61.1224 37.3979 178.0647 15 Q 4.0668 8.2779 118.5495 59.0513 28.8003 178.8341 16 L 4.4455 7.9148 119.9564 57.6571 41.5877 179.2276 17 E 4.0397 8.1572 118.8041 59.3487 29.0960 178.9464 18 N 4.2502 7.4974 114.8619 55.7053 38.4449 175.3148 19 Y 4.6239 6.9957 115.7840 57.8188 38.1655 175.2020 20 C 4.4372 8.0267 121.0356 58.7597 32.5648 173.0468 21 N 4.5222 8.5501 121.0365 53.7907 38.5688 174.7796 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 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 3.89 0.80 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.44 0.63 0.00 0.00 3 V 7.66 3.49 2.03 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 0.88 0.00 0.00 0.85 0.00 0.00 4 E 8.03 3.45 0.00 1.98 1.97 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 2.29 2.36 0.00 5 Q 7.84 4.19 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 C 8.30 4.72 0.00 2.94 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 7 C 8.66 4.22 0.00 2.88 2.97 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 8 T 7.61 4.27 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 1.25 0.00 0.00 9 S 7.84 4.49 0.00 3.84 3.85 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 10 I 7.73 3.30 1.88 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 1.30 0.22 0.92 0.00 0.00 11 C 8.43 4.72 0.00 3.02 3.12 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 12 S 8.17 4.61 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.86 0.00 1.43 1.12 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.61 4.21 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.07 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 16 L 7.91 4.45 0.00 1.82 1.80 0.93 1.21 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 17 E 8.16 4.04 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 18 N 7.50 4.25 0.00 1.88 2.43 0.00 0.00 6.75 7.26 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 19 Y 7.00 4.62 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.44 0.00 2.98 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 21 N 8.55 4.52 0.00 2.72 2.68 0.00 0.00 6.88 7.57 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