NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8071 8.3501 109.7363 45.5528 0.0000 173.6663 0 A 4.2334 8.0686 121.4578 49.5883 19.9152 174.1006 1 M 4.1312 8.3867 121.8749 55.3009 33.4357 173.6400 2 P 4.2774 0.0000 0.0000 62.9407 32.1349 176.8927 3 S 4.7002 8.3355 119.0159 56.4865 66.3210 174.9889 4 K 3.9707 8.4794 121.4685 60.3679 31.8780 178.8324 5 L 3.9774 7.8425 120.8561 57.7950 42.1545 178.2591 6 A 4.0483 8.0708 120.3316 55.2347 18.1104 179.5508 7 L 3.9223 7.8951 117.4616 58.0136 41.6074 179.7195 8 I 3.6944 7.9095 111.9915 64.2253 37.4201 177.9129 9 Q 4.1478 8.3894 119.7094 58.4783 28.8952 177.9014 10 E 4.1485 8.3928 118.3165 58.4071 29.7342 178.7440 11 L 3.9135 8.0588 121.0806 57.7048 41.7040 177.4852 12 P 4.2295 0.0000 0.0000 65.8487 31.1893 178.1605 13 D 4.3425 7.9270 116.1264 57.1763 41.2697 178.1148 14 R 3.8929 8.5921 119.0353 59.4853 30.1124 178.8659 15 I 3.8837 8.1725 118.5731 63.8324 38.0470 177.5777 16 Q 3.9968 8.4731 121.0321 59.3098 28.5443 178.4366 17 T 4.0026 7.9137 116.0512 66.1438 68.7722 176.5077 18 A 4.1170 8.2891 122.1439 54.3215 18.5936 178.7177 19 V 4.2426 7.7582 114.6771 62.7797 32.9412 177.2132 20 E 3.9182 8.0236 117.1811 59.7628 28.9835 178.8371 21 A 3.9557 7.9827 120.1050 55.1875 18.6039 179.0886 22 A 4.1386 7.9359 118.5523 55.3103 18.3070 179.6786 23 M 3.9722 8.1363 117.0715 58.2828 32.1910 178.4588 24 G 3.8765 8.3586 103.0782 44.4559 0.0000 173.5844 25 M 4.1417 7.1799 121.6829 55.9560 33.1002 176.8478 26 S 4.4015 8.4840 121.5725 57.4749 61.1123 173.4290 27 Y 4.4709 7.8012 121.8516 57.4602 38.7888 178.1255 28 Q 3.8746 7.1587 118.0254 58.1437 28.8434 177.0225 29 D 4.3359 7.5040 117.3250 56.2705 41.0182 176.1754 30 A 4.7102 7.6440 121.6380 49.4625 21.1322 175.2916 31 P 4.4153 0.0000 0.0000 62.5326 33.2322 177.4492 32 N 4.3318 8.7531 116.8403 56.7893 38.5264 177.3814 33 N 4.3766 8.0708 117.4981 56.2937 37.3772 177.4821 34 V 4.4988 7.9807 116.1708 63.3653 31.7050 178.6214 35 R 4.1164 8.4798 116.3479 59.2380 29.3932 179.0415 36 R 3.9549 8.9397 120.0917 59.2734 29.9862 178.5879 37 D 4.4585 8.1384 118.6722 57.3725 40.7926 178.7875 38 L 3.9595 7.6644 119.2013 57.2239 41.5635 178.8825 39 D 4.1037 8.0243 118.8687 57.2435 41.1294 178.0436 40 N 4.3739 8.6114 117.4466 56.0380 38.4465 177.0185 41 L 3.9492 7.7896 121.8182 58.4679 42.0158 178.8588 42 H 4.0763 8.4805 116.0259 58.7704 28.6972 177.5746 43 A 3.9670 8.3878 122.7132 55.6668 18.2317 179.5853 44 C 4.2610 8.5927 115.3989 62.4702 28.1266 176.1640 45 L 4.0862 8.2733 121.0216 57.0858 41.5877 178.6745 46 N 4.2351 8.4271 117.4973 56.4713 38.9028 176.5878 47 K 3.8162 8.3468 121.2593 59.7137 32.2040 178.4336 48 A 4.2090 8.0120 122.4136 54.5272 18.1768 179.6834 49 K 3.8809 8.4462 117.4373 59.6722 32.1677 179.3206 50 L 4.0115 7.8122 120.3134 57.9333 41.8464 178.9150 51 T 3.9303 8.5734 110.4781 64.8104 68.5091 176.6792 52 V 3.7278 7.8324 120.7767 65.3044 31.4973 178.1382 53 G 3.6865 8.1657 106.1117 48.1119 0.0000 175.8346 54 R 4.0909 8.6408 120.7181 58.4825 30.0401 178.8033 55 M 4.0689 8.0405 118.5631 58.5029 32.1965 178.4173 56 V 3.6064 8.1960 118.8969 66.3365 31.5797 178.1592 57 T 3.8671 7.9142 115.5565 66.4278 67.9774 176.4588 58 S 4.0802 8.1725 114.7432 61.6190 62.5296 176.1450 59 L 4.1567 7.5330 119.6694 57.5229 41.4325 178.9676 60 L 4.2880 7.9472 117.6838 55.9653 41.6709 177.6807 61 E 4.7347 7.6202 117.4206 54.4594 31.1791 175.7311 62 K 4.5879 7.3341 118.5177 54.6533 35.7328 174.8656 63 P 4.2603 0.0000 0.0000 65.8907 31.4571 178.8441 64 S 4.1953 8.0517 114.4905 61.3190 62.9125 176.5664 65 V 3.6354 7.8044 120.2717 66.0524 31.3492 177.8832 66 V 3.5799 7.9668 117.6375 66.1192 31.3394 177.7348 67 A 4.3134 8.3449 122.1117 54.9580 17.7810 179.2602 68 Y 3.7411 8.0686 114.8524 60.8887 37.6608 178.6137 69 L 4.1191 7.7056 119.0556 57.8663 41.9808 179.0897 70 E 4.1972 8.2631 117.5708 57.2509 29.7046 177.6250 71 G 3.9234 7.5596 107.8296 45.6053 0.0000 173.4676 72 K 4.0688 8.1989 124.4681 56.1705 32.1248 177.0838 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 G 8.35 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 0 A 8.07 4.23 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 1 M 8.39 4.13 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 2 P 0.00 4.28 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 3 S 8.34 4.70 0.00 3.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 3.97 0.00 2.00 2.10 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.74 7.81 5 L 7.84 3.98 0.00 1.77 1.74 0.96 1.19 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 6 A 8.07 4.05 1.39 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 0.00 0.00 0.00 7 L 7.90 3.92 0.00 1.92 1.73 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.91 3.69 1.88 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 1.54 0.60 0.96 0.00 0.00 9 Q 8.39 4.15 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.06 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 10 E 8.39 4.15 0.00 2.21 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 0.00 2.52 2.34 0.00 11 L 8.06 3.91 0.00 1.81 1.79 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.23 0.00 2.15 2.11 0.00 3.66 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 2.18 2.15 0.00 13 D 7.93 4.34 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 3.89 0.00 2.04 1.97 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 15 I 8.17 3.88 2.01 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 1.40 1.62 1.04 0.00 0.00 16 Q 8.47 4.00 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 T 7.91 4.00 4.43 0.00 0.00 0.00 0.00 0.00 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 18 A 8.29 4.12 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 V 7.76 4.24 2.16 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 1.27 0.00 0.00 0.96 0.00 0.00 20 E 8.02 3.92 0.00 2.31 2.34 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 2.29 2.54 0.00 21 A 7.98 3.96 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 22 A 7.94 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.14 3.97 0.00 1.93 2.22 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 2.56 2.82 0.00 24 G 8.36 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 25 M 7.18 4.14 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 26 S 8.48 4.40 0.00 3.88 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 27 Y 7.80 4.47 0.00 3.17 3.15 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 28 Q 7.16 3.87 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.02 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 29 D 7.50 4.34 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.71 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 31 P 0.00 4.42 0.00 2.36 2.01 0.00 3.63 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 2.13 2.20 0.00 32 N 8.75 4.33 0.00 2.74 2.90 0.00 0.00 6.58 6.92 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 33 N 8.07 4.38 0.00 2.92 3.08 0.00 0.00 6.16 7.68 0.00 0.00 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 V 7.98 4.50 2.10 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 0.84 0.00 0.00 0.99 0.00 0.00 35 R 8.48 4.12 0.00 2.48 2.39 0.00 2.77 0.00 0.00 3.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 36 R 8.94 3.95 0.00 1.93 2.03 0.00 3.31 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 37 D 8.14 4.46 0.00 2.91 2.70 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 38 L 7.66 3.96 0.00 1.50 1.15 0.88 1.39 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 39 D 8.02 4.10 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.61 4.37 0.00 2.87 2.82 0.00 0.00 6.81 6.59 0.00 0.00 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 L 7.79 3.95 0.00 1.81 1.71 0.90 1.01 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 42 H 8.48 4.08 0.00 3.14 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.39 3.97 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 44 C 8.59 4.26 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.09 0.00 1.92 1.67 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.43 4.24 0.00 2.71 3.06 0.00 0.00 6.77 5.71 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 47 K 8.35 3.82 0.00 1.88 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 A 8.01 4.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.45 3.88 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.65 7.81 50 L 7.81 4.01 0.00 1.99 1.65 0.92 0.55 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 T 8.57 3.93 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 1.26 0.00 0.00 52 V 7.83 3.73 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 1.16 0.00 0.00 1.02 0.00 0.00 53 G 8.17 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.09 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 55 M 8.04 4.07 0.00 2.23 2.18 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 2.59 2.58 0.00 56 V 8.20 3.61 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 0.96 0.00 0.00 1.02 0.00 0.00 57 T 7.91 3.87 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 1.21 0.00 0.00 58 S 8.17 4.08 0.00 3.91 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 59 L 7.53 4.16 0.00 1.79 1.73 1.01 1.45 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 60 L 7.95 4.29 0.00 1.76 1.73 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.62 4.73 0.00 2.04 2.02 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 2.23 2.58 0.00 62 K 7.33 4.59 0.00 1.92 1.91 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.44 7.81 63 P 0.00 4.26 0.00 2.30 2.36 0.00 3.72 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 2.06 0.00 64 S 8.05 4.20 0.00 3.95 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 65 V 7.80 3.64 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 66 V 7.97 3.58 2.10 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 1.12 0.00 0.00 1.09 0.00 0.00 67 A 8.34 4.31 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 68 Y 8.07 3.74 0.00 3.18 3.05 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 0.00 0.00 0.00 0.00 69 L 7.71 4.12 0.00 1.84 1.86 0.95 1.10 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 70 E 8.26 4.20 0.00 2.19 2.19 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 2.47 2.38 0.00 71 G 7.56 3.92 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 0.00 0.00 0.00 72 K 8.20 4.07 0.00 1.60 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81