NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4595 8.1633 118.3246 55.2277 33.5462 173.8126 2 Q 4.7689 8.2184 118.8106 53.1739 30.7181 173.3350 3 I 4.4694 9.1537 116.8746 58.9983 42.3096 173.5523 4 F 5.3838 8.6035 120.7751 55.6887 42.4842 174.7684 5 V 4.7457 9.2377 122.6922 61.2744 33.8815 174.1786 6 K 5.1683 9.1488 128.5209 54.8704 34.7588 177.0509 7 T 4.8256 8.7329 115.0772 60.5641 70.0262 175.7141 8 L 4.0553 8.3900 121.2672 57.6680 41.5942 178.5129 9 T 4.1729 7.7581 106.2587 61.6083 69.2602 175.3545 10 G 4.0071 7.8382 110.5370 44.8453 0.0000 173.9562 11 K 4.1465 8.0553 122.2607 56.7309 33.2945 175.5336 12 T 5.0394 8.4947 123.5558 61.9323 70.9462 173.6372 13 I 4.4693 8.9378 127.1927 59.9729 39.4491 174.6879 14 T 5.0383 8.6131 124.1590 62.4455 69.8301 174.3268 15 L 4.8401 8.7919 125.3413 52.8289 46.0160 174.9912 16 E 4.8271 8.6784 122.8854 55.1344 30.6602 175.2117 17 V 4.7098 8.8380 119.7297 60.0957 36.5899 174.1202 18 E 4.7281 9.2759 119.8884 54.0027 32.8386 176.0985 19 P 4.1854 0.0000 0.0000 65.7031 31.5570 178.4987 20 S 4.3654 7.8831 110.3033 59.4808 63.7880 174.2584 21 D 4.5749 8.0123 122.9025 54.5665 41.3293 176.0241 22 T 4.7814 8.3348 113.1287 60.8417 71.5948 176.2261 23 I 3.7222 8.3600 122.6727 64.3937 37.0039 178.3983 24 E 3.9156 8.3747 120.2883 59.4106 29.4553 178.6375 25 N 4.3083 7.9544 116.0170 56.3808 38.6060 177.5918 26 V 3.5841 7.8429 119.5615 65.9694 31.5573 178.2792 27 K 4.2590 8.6516 119.5917 58.8031 31.8196 179.2335 28 A 3.9921 7.9742 121.2936 54.9838 18.2555 179.8377 29 K 3.9576 8.1662 117.1730 59.5768 32.0753 179.6953 30 I 3.7142 7.6879 120.2365 64.2718 36.9951 178.1008 31 Q 4.2650 8.1986 121.9352 58.7866 28.6276 178.2465 32 D 4.3508 8.0501 118.9128 57.0747 40.9701 178.3594 33 K 4.2500 7.9300 117.6006 58.3281 33.2077 177.7977 34 E 4.6158 8.8437 117.3961 55.1771 31.1038 177.0051 35 G 3.8993 8.1144 106.7388 45.3807 0.0000 173.0549 36 I 4.2109 7.3587 121.0123 58.9921 38.3053 173.6781 37 P 4.3966 0.0000 0.0000 61.8546 32.0694 175.4886 38 P 4.2306 0.0000 0.0000 65.9832 31.3689 178.2488 39 D 4.4228 8.0799 115.7575 56.4381 40.9913 176.7497 40 Q 4.4387 8.3395 117.8144 55.7188 29.3101 174.5075 41 Q 4.9245 8.0651 118.7766 54.1914 31.4266 174.7469 42 R 4.7119 8.7193 122.0756 54.4111 33.3135 174.4480 43 L 5.1282 8.5030 123.8613 53.1550 44.1573 175.4751 44 I 5.0126 9.0118 124.2915 59.5195 40.9072 174.4245 45 F 5.0827 8.9523 127.2455 57.0559 43.0540 174.2652 46 A 3.2290 8.9021 127.8820 53.2318 15.8722 177.7868 47 G 3.9280 8.2519 105.5299 46.4681 0.0000 173.9727 48 K 4.6241 7.7571 118.7649 54.0168 35.4993 175.2485 49 Q 4.5095 8.4957 123.7212 56.0846 29.7673 175.1838 50 L 4.0832 8.4376 126.4585 53.9440 43.1401 176.0950 51 E 4.4117 9.3377 123.0566 55.4697 30.8100 177.0543 52 D 4.4762 9.1986 124.6535 57.7450 40.9947 179.1127 53 G 3.8123 7.9884 104.0770 46.4694 0.0000 173.7422 54 R 4.3751 8.0242 120.0712 55.4699 31.6634 175.7730 55 T 4.9432 8.6757 110.4358 59.9667 71.0048 176.0695 56 L 4.1094 8.4386 121.9433 57.9466 41.9911 179.9163 57 S 4.0922 8.2286 113.3516 61.3827 62.4527 175.8800 58 D 4.1864 7.7131 118.9199 57.0979 40.5289 176.8585 59 Y 4.6780 7.2763 112.9771 57.1492 37.9476 175.0722 60 N 4.2232 8.0284 115.9300 54.3085 36.6662 174.2450 61 I 3.7618 7.5766 119.1629 60.4054 37.9892 175.4655 62 Q 4.6735 8.5512 125.2393 53.3277 32.1266 174.0725 63 K 3.8314 8.6207 118.8127 58.9164 32.1348 176.3848 64 E 3.4274 9.0965 124.1053 57.1927 27.8900 174.8196 65 S 4.5523 7.8146 115.1792 59.0037 64.2526 173.2052 66 T 5.2204 8.7303 118.8101 62.0717 70.5607 173.9049 67 L 4.9891 9.2948 126.1279 53.4777 45.4074 174.8762 68 H 5.3549 9.0488 116.8875 54.0211 32.2214 172.7657 69 L 5.0469 8.7691 125.0431 53.4332 43.6593 175.5186 70 V 4.4095 8.8282 127.0666 61.0863 33.7158 174.6364 71 L 4.8359 8.5112 127.7859 54.1420 43.0647 177.2444 72 R 4.2141 8.6419 121.8916 56.2625 29.5960 176.4868 73 L 4.6074 8.4165 122.9612 54.2312 43.3879 177.2733 74 R 4.0988 7.9515 122.6670 56.4867 29.9534 176.3246 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 4.46 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 2 Q 8.22 4.77 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 3 I 9.15 4.47 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.89 0.78 0.00 0.00 4 F 8.60 5.38 0.00 3.08 2.89 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 5 V 9.24 4.75 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 9.15 5.17 0.00 1.66 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 7 T 8.73 4.83 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 1.27 0.00 0.00 8 L 8.39 4.06 0.00 1.66 1.78 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.76 4.17 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 10 G 7.84 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.06 4.15 0.00 1.91 1.70 0.00 1.49 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 12 T 8.49 5.04 4.20 0.00 0.00 0.00 0.00 0.00 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 13 I 8.94 4.47 1.98 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 1.41 0.71 0.99 0.00 0.00 14 T 8.61 5.04 4.33 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 1.27 0.00 0.00 15 L 8.79 4.84 0.00 1.48 1.47 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.83 0.00 1.92 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 2.19 2.35 0.00 17 V 8.84 4.71 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.28 4.73 0.00 1.79 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 2.18 2.37 0.00 19 P 0.00 4.19 0.00 2.14 2.08 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.88 4.37 0.00 3.96 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 21 D 8.01 4.57 0.00 2.82 2.61 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 22 T 8.33 4.78 4.47 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 1.21 0.00 0.00 23 I 8.36 3.72 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.04 0.90 0.00 0.00 24 E 8.37 3.92 0.00 2.11 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 2.31 2.36 0.00 25 N 7.95 4.31 0.00 3.04 2.84 0.00 0.00 6.70 6.96 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 26 V 7.84 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.65 4.26 0.00 1.97 1.84 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.44 7.81 28 A 7.97 3.99 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 29 K 8.17 3.96 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 I 7.69 3.71 2.15 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 0.91 0.00 0.00 31 Q 8.20 4.27 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 8.05 4.35 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.25 0.00 1.93 1.93 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.47 7.81 34 E 8.84 4.62 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 35 G 8.11 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 36 I 7.36 4.21 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.08 4.42 0.00 2.67 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 40 Q 8.34 4.44 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 Q 8.07 4.92 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 42 R 8.72 4.71 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 43 L 8.50 5.13 0.00 1.55 1.53 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.01 5.01 1.93 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 1.13 1.01 0.91 0.00 0.00 45 F 8.95 5.08 0.00 2.92 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 46 A 8.90 3.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 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 0.00 0.00 0.00 48 K 7.76 4.62 0.00 1.81 1.67 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 49 Q 8.50 4.51 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 50 L 8.44 4.08 0.00 1.38 1.15 0.69 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.34 4.41 0.00 2.06 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 2.36 2.43 0.00 52 D 9.20 4.48 0.00 2.75 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 53 G 7.99 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.02 4.38 0.00 2.18 1.72 0.00 3.26 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 55 T 8.68 4.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 L 8.44 4.11 0.00 1.85 1.68 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.09 0.00 3.94 3.83 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 58 D 7.71 4.19 0.00 2.58 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 0.00 0.00 0.00 59 Y 7.28 4.68 0.00 3.13 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 60 N 8.03 4.22 0.00 3.08 3.02 0.00 0.00 6.88 7.05 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 61 I 7.58 3.76 1.78 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 62 Q 8.55 4.67 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 63 K 8.62 3.83 0.00 1.67 1.74 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 9.10 3.43 0.00 2.17 2.27 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 2.16 2.22 0.00 65 S 7.81 4.55 0.00 3.78 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 66 T 8.73 5.22 4.38 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 1.22 0.00 0.00 67 L 9.29 4.99 0.00 1.58 1.58 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.35 0.00 3.07 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.77 5.05 0.00 1.62 1.57 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.83 4.41 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.51 4.84 0.00 1.57 1.58 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.64 4.21 0.00 1.87 1.91 0.00 3.30 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 73 L 8.42 4.61 0.00 1.60 1.67 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.95 4.10 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00