NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3455 8.1233 123.5888 53.2071 21.1936 177.9404 2 T 3.1632 7.7252 117.0622 65.2085 67.3574 171.7285 3 C 5.0541 8.9717 126.5184 57.5460 41.5180 172.4050 4 D 4.7097 7.9159 119.8750 54.0723 41.3535 175.7631 5 L 4.5376 8.3207 124.2198 54.1859 45.6075 178.3951 6 A 3.7052 7.8195 118.9149 53.3696 17.1371 178.1872 7 S 4.1846 9.2749 112.9962 63.4059 62.4406 172.8973 8 G 4.1398 7.3576 106.8836 44.2499 0.0000 171.1559 9 F 4.9357 6.8071 117.9087 55.4603 44.0591 176.0426 10 G 4.2624 5.8765 109.4173 46.1328 0.0000 173.8143 11 V 4.3950 8.0121 124.2722 59.1109 34.2416 177.6268 12 G 4.1636 8.2460 114.2005 45.9445 0.0000 174.7967 13 S 4.1639 9.3425 115.8714 60.1794 63.3169 176.1343 14 S 4.0093 8.3046 112.9680 59.2432 60.6457 173.0097 15 L 4.0270 7.5313 121.4985 57.7785 41.2882 178.4524 16 C 4.1390 8.1606 117.7829 59.6120 41.4857 175.3737 17 A 3.8572 7.9139 121.4549 55.1795 18.0534 179.2463 18 A 3.9395 8.0130 119.3160 55.5470 18.1997 179.2200 19 H 3.9683 8.4709 116.1680 59.6822 30.2911 176.5713 20 C 4.3109 8.0928 118.0558 59.9113 39.7485 176.1320 21 I 4.5904 7.7543 121.5538 63.6072 37.3274 178.1148 22 A 4.4498 8.2160 121.2270 51.3249 18.0333 177.3055 23 R 4.7934 7.1503 122.6824 56.7874 37.2775 174.6322 24 R 4.6140 7.6156 118.4876 56.8583 32.5456 174.6769 25 Y 4.1116 7.7403 116.4280 57.6175 38.5625 176.9460 26 R 3.9705 8.7766 124.5060 58.7553 31.1284 176.8585 27 G 4.0562 7.4225 105.6940 47.2472 0.0000 171.6675 28 G 4.0648 8.3911 106.5585 45.0947 0.0000 172.3484 29 Y 4.3450 7.6793 123.4936 56.3711 39.1928 175.6820 30 C 4.5578 8.6707 121.4487 55.6631 33.9630 173.2723 31 N 4.8653 8.3736 122.8541 52.2801 38.0367 176.4151 32 S 4.9108 8.3334 113.8251 57.9453 62.0607 175.3732 33 K 4.4516 7.8128 114.5829 57.1313 34.5825 176.5874 34 A 4.2450 7.7536 119.5405 53.1754 16.5853 179.3344 35 V 3.7405 7.4956 120.4109 64.6996 32.5749 173.4895 36 C 4.5226 7.9607 112.9933 54.5592 40.4713 174.3732 37 V 3.3394 7.1617 116.6426 64.1560 30.9347 175.8167 38 C 4.8300 8.1163 124.5615 56.6738 41.5763 173.3888 39 R 4.9501 9.1293 116.5966 54.7215 32.8400 174.9426 40 N 4.4806 8.7671 118.1948 53.5896 38.2434 174.9715 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 A 8.12 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 3 C 8.97 5.05 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.71 0.00 2.70 2.78 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 0.00 5 L 8.32 4.54 0.00 1.54 1.39 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.82 3.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.27 4.18 0.00 3.88 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 8 G 7.36 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.81 4.94 0.00 3.04 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 10 G 5.88 4.26 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 0.00 0.00 0.00 11 V 8.01 4.39 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 0.76 0.00 0.00 0.92 0.00 0.00 12 G 8.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.34 4.16 0.00 3.87 3.93 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 14 S 8.30 4.01 0.00 4.06 3.98 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 0.00 0.00 0.00 0.00 15 L 7.53 4.03 0.00 1.75 1.74 0.93 0.77 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 16 C 8.16 4.14 0.00 2.94 3.04 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 0.00 0.00 0.00 0.00 17 A 7.91 3.86 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 18 A 8.01 3.94 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 19 H 8.47 3.97 0.00 3.38 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.09 4.31 0.00 3.12 2.83 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 21 I 7.75 4.59 2.04 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 1.56 1.18 0.94 0.00 0.00 22 A 8.22 4.45 1.24 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 0.00 0.00 0.00 23 R 7.15 4.79 0.00 1.81 2.22 0.00 3.50 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 24 R 7.62 4.61 0.00 1.88 1.97 0.00 3.09 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.00 25 Y 7.74 4.11 0.00 3.09 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.78 3.97 0.00 1.80 2.12 0.00 3.40 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 27 G 7.42 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.68 4.34 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.67 4.56 0.00 3.00 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 31 N 8.37 4.87 0.00 2.98 3.22 0.00 0.00 5.98 7.24 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 32 S 8.33 4.91 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.81 4.45 0.00 1.79 1.77 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.45 7.81 34 A 7.75 4.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.50 3.74 2.28 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 0.77 0.00 0.00 0.97 0.00 0.00 36 C 7.96 4.52 0.00 3.13 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 37 V 7.16 3.34 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 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 38 C 8.12 4.83 0.00 2.49 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 39 R 9.13 4.95 0.00 1.89 2.07 0.00 2.94 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 40 N 8.77 4.48 0.00 2.48 2.59 0.00 0.00 6.45 6.81 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