NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7381 8.4249 119.2262 54.3161 40.2227 173.5294 8 S 3.7456 9.7079 116.1532 56.7289 62.0035 165.5732 9 V 3.7497 8.2479 121.2817 63.3376 32.9637 175.5533 10 F 4.7700 7.8096 118.3080 55.8427 39.6949 172.9677 11 F 4.5607 9.1623 125.5794 59.9169 39.5395 175.6720 12 G 3.6750 8.3859 115.6945 44.8676 0.0000 173.5204 13 K 3.6404 7.0675 120.6470 56.1293 32.4203 176.2640 14 K 4.0622 8.3049 127.0599 55.9185 32.8473 176.7373 15 K 4.1806 8.2378 124.6729 56.1159 32.7457 176.9323 16 K 4.3464 8.2142 120.0721 56.0809 33.0459 176.9086 17 V 4.4284 7.7754 113.3928 59.0978 34.1663 175.9967 18 S 4.0904 8.6201 118.0298 58.3372 62.6247 173.0660 19 L 4.6370 8.4775 129.1835 53.3546 43.7420 174.7497 20 H 4.9282 8.7484 125.2387 54.2901 32.0926 171.9770 21 L 4.5962 8.2321 125.3088 54.3676 43.1437 174.7726 22 L 4.4434 8.1980 119.8730 54.0450 42.6532 176.7206 23 V 4.5771 7.8628 114.7504 58.5551 35.9703 175.5865 24 D 4.5735 8.3209 120.5965 53.5312 42.6520 175.9492 25 P 4.2176 0.0000 0.0000 66.0381 31.4588 178.5793 26 D 4.3940 8.1623 117.0454 57.7313 40.8296 178.6440 27 M 4.2193 7.8905 119.1613 58.1519 32.3803 178.0674 28 K 3.9856 8.0778 119.6888 59.3895 32.1929 178.2796 29 D 4.3472 8.2857 118.6500 57.1889 40.7675 178.0255 30 E 3.9878 8.2135 119.2385 59.5323 29.4678 179.4300 31 I 3.8418 7.7474 119.6177 64.3000 37.0965 178.6636 32 I 3.7942 7.7695 120.8205 64.1738 37.0996 178.5297 33 K 3.9456 8.3275 119.5981 59.7417 31.9447 178.6445 34 Y 4.2270 8.5508 120.8876 60.1406 38.5480 178.1675 35 A 4.0813 8.1233 121.6848 55.1693 18.2475 179.6874 36 Q 3.9944 7.9786 116.2778 58.7750 28.9712 178.1071 37 E 4.0908 8.0680 118.0424 57.8825 29.7881 178.1635 38 K 4.2939 7.7112 116.6509 55.6329 33.9824 176.3808 39 D 4.7874 7.1628 117.8005 53.4789 41.8342 175.6815 40 F 3.5448 8.2839 114.8662 58.9536 36.2092 175.3578 41 D 4.3065 8.3596 116.0306 55.1469 40.5611 173.5933 42 N 4.6442 7.9250 116.9724 52.5475 38.6608 175.3997 43 V 3.6730 8.2604 128.6453 65.9480 31.9314 177.7145 44 S 4.1422 8.1411 113.6047 61.3643 63.0079 176.1459 45 Q 3.9776 8.6285 123.0740 58.9877 28.8248 178.0113 46 A 4.5460 7.5363 123.1744 54.6042 18.3424 179.8766 47 G 3.5478 8.4327 104.7778 47.8541 0.0000 176.3131 48 R 3.9207 7.9614 120.0707 59.0860 30.1595 178.8292 49 E 3.9829 8.0232 117.9044 59.6565 29.4394 179.6539 50 I 3.5698 7.5921 119.6389 64.1799 37.0268 178.4883 51 L 3.9286 8.0689 120.0349 57.6634 41.5714 179.4379 52 K 3.9129 8.5298 119.9048 59.5688 31.8926 179.0345 53 K 4.1342 7.9172 117.9230 59.2505 31.7994 179.3351 54 G 3.7020 8.2334 106.3953 47.5809 0.0000 175.9275 55 L 4.0534 8.2345 122.0039 57.4687 40.6701 179.2024 56 E 4.1014 8.1701 116.7399 58.6265 29.3762 178.2960 57 Q 4.1795 7.5898 118.9722 57.7896 29.2422 177.1725 58 I 3.9894 7.7995 119.9564 62.5343 37.6343 175.4804 59 A 4.0990 6.8557 122.6464 52.4762 20.5113 176.2055 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 7 N 8.42 4.74 0.00 2.78 2.92 0.00 0.00 7.06 6.75 0.00 0.00 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 S 9.71 3.75 0.00 4.20 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 9 V 8.25 3.75 2.14 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 0.84 0.00 0.00 0.95 0.00 0.00 10 F 7.81 4.77 0.00 3.29 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 11 F 9.16 4.56 0.00 2.92 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 G 8.39 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.07 3.64 0.00 0.79 1.14 0.00 0.97 0.00 0.00 1.22 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 0.78 7.81 14 K 8.30 4.06 0.00 1.73 1.66 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 15 K 8.24 4.18 0.00 1.75 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.40 7.81 16 K 8.21 4.35 0.00 1.73 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 V 7.78 4.43 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 0.70 0.00 0.00 0.93 0.00 0.00 18 S 8.62 4.09 0.00 3.82 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 0.00 19 L 8.48 4.64 0.00 1.58 1.52 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.75 4.93 0.00 3.05 3.11 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.23 4.60 0.00 1.72 1.56 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.20 4.44 0.00 1.64 1.62 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.86 4.58 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 0.74 0.00 0.00 0.93 0.00 0.00 24 D 8.32 4.57 0.00 2.68 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 25 P 0.00 4.22 0.00 2.15 2.10 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 26 D 8.16 4.39 0.00 2.68 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 27 M 7.89 4.22 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 28 K 8.08 3.99 0.00 1.89 1.92 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 29 D 8.29 4.35 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.99 0.00 2.22 1.99 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 2.34 2.57 0.00 31 I 7.75 3.84 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.92 0.00 0.00 32 I 7.77 3.79 2.03 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 0.70 0.93 0.00 0.00 33 K 8.33 3.95 0.00 1.99 1.89 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 Y 8.55 4.23 0.00 3.18 3.14 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 35 A 8.12 4.08 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.98 3.99 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 37 E 8.07 4.09 0.00 2.08 2.09 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 2.44 2.10 0.00 38 K 7.71 4.29 0.00 1.07 1.48 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.75 0.78 7.81 39 D 7.16 4.79 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.28 3.54 0.00 3.22 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 41 D 8.36 4.31 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.93 4.64 0.00 2.90 2.88 0.00 0.00 6.84 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.26 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.96 0.00 0.00 44 S 8.14 4.14 0.00 4.10 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 45 Q 8.63 3.98 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 46 A 7.54 4.55 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.96 3.92 0.00 2.05 2.00 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 49 E 8.02 3.98 0.00 2.09 2.07 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 2.40 2.74 0.00 50 I 7.59 3.57 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.13 0.76 0.00 0.00 51 L 8.07 3.93 0.00 1.89 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.53 3.91 0.00 1.88 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 53 K 7.92 4.13 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 54 G 8.23 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.23 4.05 0.00 1.83 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.17 4.10 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 57 Q 7.59 4.18 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 58 I 7.80 3.99 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.93 0.91 0.00 0.00 59 A 6.86 4.10 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