NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7879 8.3493 119.5641 53.4525 41.4217 174.1325 9 D 4.3747 8.3963 123.8419 51.8373 42.9495 173.9764 10 I 4.3834 8.6147 122.2702 59.5079 39.8475 176.5475 11 Q 4.3677 8.5617 126.2866 55.9141 29.8051 175.3911 12 F 4.9524 9.7424 123.3263 55.9376 42.5052 174.5132 13 Q 5.1400 9.2563 119.2965 54.0523 31.9789 175.3852 14 V 4.3727 8.9487 124.2057 63.0308 32.7745 175.2924 15 V 5.2697 9.2349 120.9615 59.6245 35.8125 174.9302 16 V 4.8528 8.9583 121.9068 60.2568 35.2173 174.9046 17 N 4.5227 7.3171 120.7274 50.6337 39.7365 174.9395 18 H 4.2650 8.1197 114.2398 58.0614 29.0849 175.9993 19 E 4.2052 7.8914 118.4546 55.2076 29.6126 175.5593 20 E 3.3769 7.2736 118.1784 57.2003 28.7040 174.1311 21 Q 3.3947 7.4812 115.4176 53.7953 31.1405 174.6855 22 Y 5.2383 6.2546 117.6915 56.5590 41.2310 174.5475 23 S 4.8965 9.3513 116.4391 57.2811 66.8961 172.0327 24 I 5.1401 8.2957 114.2554 58.9905 39.9650 174.9919 25 W 5.2874 9.2079 133.3370 55.1412 34.5850 172.3144 26 P 3.6551 0.0000 0.0000 62.2036 31.0108 176.7461 27 E 4.0210 8.5361 126.3757 59.5093 29.5494 177.8470 28 Y 4.2649 7.7292 115.6948 58.3473 38.5238 175.5630 29 K 4.5241 6.7930 120.3151 54.2051 33.7544 176.1916 30 E 4.1113 8.7932 122.0539 56.6210 29.9269 177.1708 31 I 3.5781 8.3329 124.4604 60.5196 37.8987 174.4913 32 P 4.3126 0.0000 0.0000 61.7662 31.9092 175.5907 33 Q 4.0208 8.4633 121.8696 58.3281 29.2217 177.2584 34 G 3.8679 9.3669 112.5539 44.7719 0.0000 172.7082 35 W 4.9562 7.5114 117.9646 54.7846 32.6822 174.3993 36 R 4.8492 8.5963 115.6840 54.2779 33.0532 174.0439 37 A 4.5172 8.6887 121.6922 52.5301 18.5951 177.3231 38 A 4.3679 9.1557 123.9440 51.2986 19.8448 177.7757 39 G 3.9022 9.7396 103.5439 44.9026 0.0000 173.7791 40 K 4.1502 7.7183 119.6196 54.8382 34.9014 174.6391 41 S 5.1694 9.5259 121.7602 55.9701 66.1863 174.1782 42 G 4.1280 8.0529 109.8135 44.4569 0.0000 172.0164 43 L 4.7217 7.7174 118.8058 54.0812 43.4453 177.9144 44 K 3.5935 8.9005 122.0293 59.8552 31.8929 178.9864 45 K 3.9459 8.0506 118.2097 60.2744 32.4161 178.6169 46 D 4.3696 8.0560 119.5295 57.1784 40.8589 178.3209 47 C 4.2266 8.2617 117.3319 62.8484 28.1192 176.1915 48 L 4.0433 8.3836 120.7937 57.5531 41.1773 179.3326 49 A 3.9997 8.3324 121.0747 55.2626 18.3362 178.8993 50 Y 3.9869 8.1467 117.9142 61.0133 38.8349 178.3649 51 I 3.4901 7.9778 120.5539 64.4838 37.0457 177.9284 52 E 3.9447 8.1029 118.6943 59.2791 29.4490 178.2337 53 E 3.9851 7.9618 118.4317 59.0686 29.8227 178.5162 54 V 3.9687 7.3878 110.3806 61.1244 33.2727 176.5323 55 W 4.9529 8.0175 130.2244 56.0124 28.9400 174.8491 56 T 4.1869 8.1577 111.7328 61.1545 69.9142 174.8934 57 D 4.7035 8.0944 120.9309 52.9656 41.1231 174.7787 58 M 4.4074 8.2690 124.9140 55.0620 32.2290 177.1809 59 R 4.1340 7.8024 118.9642 55.2990 30.9777 175.6382 60 P 4.5773 0.0000 0.0000 62.3444 33.3381 177.1840 61 L 3.9603 8.6223 123.4129 58.7814 41.9978 180.0238 62 S 4.4523 8.9368 115.4930 60.6594 62.8470 176.3244 63 L 3.9251 7.8449 123.5614 58.0403 41.9127 178.6784 64 R 3.9584 7.9974 118.0455 59.6981 29.7652 179.0029 65 Q 3.9915 8.2763 117.5405 59.4001 28.4490 178.7258 66 H 4.1887 8.0421 116.2238 58.5566 28.8242 177.0805 67 M 4.2787 8.0354 119.4591 56.6662 32.3140 176.0076 68 D 4.5353 8.2766 123.0465 54.3199 41.2306 176.0682 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 8 D 8.35 4.79 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.37 0.00 2.78 2.74 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 0.00 0.00 0.00 10 I 8.61 4.38 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.40 0.00 0.00 11 Q 8.56 4.37 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 12 F 9.74 4.95 0.00 3.03 2.96 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 13 Q 9.26 5.14 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 14 V 8.95 4.37 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 1.31 0.00 0.00 1.05 0.00 0.00 15 V 9.23 5.27 2.24 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 0.80 0.00 0.00 0.74 0.00 0.00 16 V 8.96 4.85 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 0.84 0.00 0.00 0.26 0.00 0.00 17 N 7.32 4.52 0.00 1.73 1.42 0.00 0.00 6.89 8.05 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 18 H 8.12 4.26 0.00 2.97 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.89 4.21 0.00 2.04 1.86 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 2.22 2.14 0.00 20 E 7.27 3.38 0.00 1.95 1.83 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 2.05 2.08 0.00 21 Q 7.48 3.39 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 22 Y 6.25 5.24 0.00 2.67 2.85 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 23 S 9.35 4.90 0.00 3.72 3.28 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 0.00 24 I 8.30 5.14 1.77 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.89 0.00 0.00 25 W 9.21 5.29 0.00 3.23 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 26 P 0.00 3.66 0.00 0.49 0.75 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.56 0.00 27 E 8.54 4.02 0.00 2.00 1.93 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 2.32 2.27 0.00 28 Y 7.73 4.26 0.00 2.98 2.96 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 29 K 6.79 4.52 0.00 1.12 1.71 0.00 1.21 0.00 0.00 0.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 0.25 7.81 30 E 8.79 4.11 0.00 2.06 1.98 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 2.39 2.35 0.00 31 I 8.33 3.58 1.87 0.00 0.00 0.91 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 0.56 0.87 0.00 0.00 32 P 0.00 4.31 0.00 1.94 1.71 0.00 2.76 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.95 0.00 33 Q 8.46 4.02 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 34 G 9.37 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 35 W 7.51 4.96 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.85 0.00 1.85 1.95 0.00 2.77 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 37 A 8.69 4.52 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 38 A 9.16 4.37 1.60 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 39 G 9.74 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 4.15 0.00 0.79 0.75 0.00 1.32 0.00 0.00 1.41 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.85 1.25 7.81 41 S 9.53 5.17 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 0.00 0.00 0.00 0.00 43 L 7.72 4.72 0.00 1.75 1.68 0.95 0.79 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 44 K 8.90 3.59 0.00 1.72 1.78 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 0.92 7.81 45 K 8.05 3.95 0.00 2.02 2.06 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.56 7.81 46 D 8.06 4.37 0.00 2.86 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 47 C 8.26 4.23 0.00 3.11 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 48 L 8.38 4.04 0.00 1.79 1.72 0.87 0.58 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 49 A 8.33 4.00 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 50 Y 8.15 3.99 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.49 2.11 0.00 0.00 1.01 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 0.79 1.21 0.00 0.00 52 E 8.10 3.94 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 53 E 7.96 3.99 0.00 2.04 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 2.21 2.29 0.00 54 V 7.39 3.97 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 0.02 0.00 0.00 0.16 0.00 0.00 55 W 8.02 4.95 0.00 2.95 3.11 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 0.00 0.00 0.00 0.00 56 T 8.16 4.19 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 1.23 0.00 0.00 57 D 8.09 4.70 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 58 M 8.27 4.41 0.00 1.51 1.75 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.81 0.00 59 R 7.80 4.13 0.00 1.92 1.91 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 60 P 0.00 4.58 0.00 2.17 1.99 0.00 3.67 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 2.14 2.21 0.00 61 L 8.62 3.96 0.00 1.79 1.79 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.94 4.45 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.84 3.93 0.00 1.79 1.92 0.93 1.01 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 64 R 8.00 3.96 0.00 2.11 2.00 0.00 3.23 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 65 Q 8.28 3.99 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 66 H 8.04 4.19 0.00 3.33 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.04 4.28 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 68 D 8.28 4.54 0.00 2.76 2.57 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 0.00