NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4007 8.1627 120.6092 55.6076 33.5219 172.0238 2 Q 4.7708 8.1476 125.6556 52.1791 30.9190 172.3370 3 L 4.8518 9.4228 127.2672 53.9914 45.3221 174.6128 4 F 5.2321 8.8840 118.1846 56.0554 41.7229 175.5367 5 V 4.8383 8.9792 122.3598 61.2172 34.1981 174.8157 6 R 4.2103 9.3117 130.6330 56.1282 29.8790 175.5005 7 A 5.0746 8.1261 128.2196 49.8891 20.9601 176.1611 8 Q 4.0116 8.7850 114.6522 58.9148 28.0556 177.5779 9 E 4.5968 8.0273 117.5392 53.6790 31.6478 174.7164 10 L 4.4708 8.3806 125.6750 55.5387 42.6735 175.6140 11 H 5.0389 9.0719 122.3200 54.2743 32.9634 172.5515 12 T 4.9567 8.1299 116.3949 61.9071 71.3714 173.8461 13 F 4.8479 8.9455 123.3206 55.6372 43.2988 173.5539 14 E 4.8620 8.9553 122.1944 55.6223 30.2081 175.9421 15 V 4.8947 8.3934 117.9412 58.8770 34.3635 176.5340 16 T 4.0595 8.8466 118.3088 64.4014 69.3297 175.3583 17 G 4.3479 8.4563 114.4307 45.8040 0.0000 175.1064 18 Q 4.1620 7.7241 114.1706 55.6385 28.9464 175.3178 19 E 3.8858 8.1339 121.4203 56.8903 30.0695 176.6377 20 T 4.3942 8.2546 116.9603 61.0930 71.3878 175.6610 21 V 3.5774 8.3353 120.4384 65.9012 31.3879 177.9717 22 A 3.9534 8.2192 120.9380 55.1071 18.0783 179.6793 23 Q 3.8175 7.9654 116.6769 58.9556 28.8957 178.7690 24 I 3.4706 7.6762 120.8474 64.2221 37.0511 178.5262 25 K 4.1656 8.3594 120.3026 58.9129 31.9547 179.1612 26 A 3.9360 7.9762 120.8877 55.4170 18.1276 179.2937 27 H 4.1633 8.1950 115.0280 59.2076 28.8408 178.5062 28 V 3.9523 7.5698 120.0106 64.4805 31.3745 178.2308 29 A 4.0043 8.3334 122.1650 54.9811 18.3259 179.5434 30 S 4.0696 8.2514 111.7925 61.3288 62.2392 176.3633 31 L 4.0924 7.5614 120.5665 57.8211 41.5983 178.7693 32 E 4.3907 8.2398 114.8999 55.8328 29.7265 177.3329 33 G 3.8690 7.3237 105.9192 46.0022 0.0000 173.6856 34 I 4.2212 7.4979 113.2304 58.7181 39.9044 174.5977 35 A 4.4123 8.1274 123.1977 50.5231 19.2381 176.8293 36 P 4.4022 0.0000 0.0000 65.0632 31.6601 177.5382 37 E 4.0767 8.0986 117.6784 58.4244 29.6654 176.6007 38 D 5.1174 7.9374 116.8528 52.8643 41.2033 175.0261 39 Q 4.9742 7.4882 114.7610 54.8718 32.3939 173.1548 40 V 4.5433 8.7282 118.1546 60.1559 35.4932 174.0201 41 V 4.7659 8.3322 121.9571 61.4078 33.8265 174.2094 42 L 5.0566 8.8656 127.9839 52.8500 44.3948 175.7702 43 L 4.3343 9.0553 127.9921 54.2307 42.1671 176.0957 44 A 3.9145 9.1757 126.0946 53.3021 16.7500 178.0529 45 G 3.9751 8.5666 107.9036 46.9778 0.0000 174.6576 46 A 4.1426 8.1524 124.3057 50.4680 18.6091 174.4658 47 P 4.5391 0.0000 0.0000 63.4418 31.6363 176.1743 48 L 4.3799 8.4838 125.6168 54.0906 42.9693 176.8499 49 E 4.1777 8.6715 122.5680 56.0640 30.5185 177.0285 50 D 4.3865 9.1826 125.1719 57.6076 41.0056 178.9335 51 E 3.9952 8.0554 113.7458 57.9205 30.5093 176.8567 52 A 4.4336 8.0176 123.2662 51.4901 19.1345 177.3407 53 T 4.6340 8.3184 112.6852 60.7959 71.7863 176.1111 54 L 4.0994 8.6009 121.0934 57.5719 41.3061 180.2036 55 G 3.5953 8.1674 106.0602 47.9504 0.0000 175.9338 56 Q 4.0587 8.0443 120.2480 58.7369 28.4560 178.5325 57 C 4.2392 8.1726 117.4518 60.5825 28.1217 174.7679 58 G 3.8764 7.6867 107.7408 45.6388 0.0000 173.0393 59 V 4.2044 7.6310 118.6520 59.9387 32.9021 175.5033 60 E 4.6358 8.2844 122.8091 54.5080 31.2695 174.8147 61 A 4.1940 8.2240 122.4316 52.7721 19.2688 177.4348 62 L 3.9181 8.3625 115.6132 56.2868 39.8653 175.0013 63 T 4.8003 7.2486 114.4514 62.1813 71.9789 173.8103 64 T 5.1086 8.4712 120.2357 62.1858 70.7930 173.4262 65 L 4.8499 8.8204 127.2270 53.6190 44.0176 175.6325 66 E 5.0967 9.0413 122.3889 54.4589 33.0570 174.5447 67 V 4.7512 8.6482 126.5552 61.6414 32.6777 174.8277 68 A 4.7242 8.8178 129.5063 50.1120 22.4307 175.6494 69 G 4.2607 8.6947 108.1613 45.0005 0.0000 173.3482 70 R 4.7284 8.3234 121.8564 55.5920 31.8229 175.0925 71 M 4.9105 7.5986 117.0238 54.2218 35.7465 174.3916 72 L 4.5654 8.6490 120.7011 57.2519 49.1073 173.7936 73 G 4.0839 7.7480 104.7670 44.3771 0.0000 173.5323 74 G 3.7260 8.8729 115.6902 45.3996 0.0000 173.2455 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 M 8.16 4.40 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 2 Q 8.15 4.77 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 3 L 9.42 4.85 0.00 1.98 1.64 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.88 5.23 0.00 3.01 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 5 V 8.98 4.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 6 R 9.31 4.21 0.00 1.97 1.88 0.00 3.13 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 7 A 8.13 5.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.78 4.01 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 9 E 8.03 4.60 0.00 2.07 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 10 L 8.38 4.47 0.00 1.63 1.54 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 H 9.07 5.04 0.00 3.13 2.65 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.13 4.96 4.13 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 0.95 0.00 0.00 13 F 8.95 4.85 0.00 2.84 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 14 E 8.96 4.86 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 15 V 8.39 4.89 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 1.06 0.00 0.00 0.99 0.00 0.00 16 T 8.85 4.06 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 1.21 0.00 0.00 17 G 8.46 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.72 4.16 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 19 E 8.13 3.89 0.00 2.15 1.87 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 0.00 2.37 2.36 0.00 20 T 8.25 4.39 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 21 V 8.34 3.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 22 A 8.22 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 3.82 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 24 I 7.68 3.47 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.34 0.74 0.00 0.00 25 K 8.36 4.17 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 A 7.98 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 4.16 0.00 2.89 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.57 3.95 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 0.91 0.00 0.00 1.12 0.00 0.00 29 A 8.33 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.07 0.00 4.03 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 31 L 7.56 4.09 0.00 1.78 1.60 0.77 1.34 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 32 E 8.24 4.39 0.00 1.98 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 0.00 2.66 2.53 0.00 33 G 7.32 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.50 4.22 1.88 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 1.25 0.71 0.96 0.00 0.00 35 A 8.13 4.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.16 2.17 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 37 E 8.10 4.08 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 38 D 7.94 5.12 0.00 2.64 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 39 Q 7.49 4.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 40 V 8.73 4.54 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 41 V 8.33 4.77 2.06 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 0.94 0.00 0.00 0.90 0.00 0.00 42 L 8.87 5.06 0.00 1.65 1.54 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.06 4.33 0.00 1.73 1.59 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.18 3.91 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 45 G 8.57 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 0.00 0.00 0.00 46 A 8.15 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.08 2.12 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 48 L 8.48 4.38 0.00 1.66 1.62 0.92 0.83 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 49 E 8.67 4.18 0.00 1.96 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 2.39 2.33 0.00 50 D 9.18 4.39 0.00 2.76 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 51 E 8.06 4.00 0.00 2.04 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 2.26 2.35 0.00 52 A 8.02 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.32 4.63 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 54 L 8.60 4.10 0.00 1.90 1.75 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.17 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.04 4.06 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 57 C 8.17 4.24 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 58 G 7.69 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.63 4.20 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 0.88 0.00 0.00 0.95 0.00 0.00 60 E 8.28 4.64 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 61 A 8.22 4.19 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.36 3.92 0.00 1.83 1.84 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.25 4.80 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 64 T 8.47 5.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 65 L 8.82 4.85 0.00 1.70 1.59 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.04 5.10 0.00 2.02 1.76 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 2.20 2.41 0.00 67 V 8.65 4.75 2.12 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 0.76 0.00 0.00 0.95 0.00 0.00 68 A 8.82 4.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.69 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 70 R 8.32 4.73 0.00 1.76 1.90 0.00 3.16 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 71 M 7.60 4.91 0.00 2.28 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 72 L 8.65 4.57 0.00 1.58 1.58 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.75 4.08 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 0.00 0.00 0.00 74 G 8.87 3.73 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 0.00 0.00 0.00