NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4248 0.0000 0.0000 61.6540 32.7398 174.9653 3 E 4.7031 7.3036 115.0813 54.7542 33.1345 173.7794 4 T 5.1112 9.1304 110.8336 59.9901 72.3716 174.1388 5 L 4.8630 8.5627 121.1961 53.3300 45.9577 175.3668 6 C 4.8335 8.1971 118.4914 55.8822 40.2093 174.8874 7 G 3.5848 8.5415 108.6301 46.5569 0.0000 176.2233 8 A 4.0496 8.6134 120.9076 55.2892 18.3418 179.3499 9 E 3.8988 8.0906 116.6788 59.3201 29.4951 179.1342 10 L 3.8498 7.7079 120.0741 58.1100 42.1307 179.1724 11 V 3.2675 7.6480 117.9187 65.9914 31.4406 177.5675 12 D 4.3284 8.4851 118.8044 57.4382 40.6831 178.8014 13 A 4.0047 8.0556 121.0986 55.1126 18.2901 179.6172 14 L 3.8034 7.9207 117.6601 58.0469 41.4784 179.8631 15 Q 4.0211 8.1635 118.0942 58.8729 28.4106 178.5146 16 F 4.1941 8.1341 121.0103 60.9734 39.4065 177.1675 17 V 3.5093 7.7118 117.2864 65.9552 31.6867 177.0160 18 C 4.4786 8.6592 116.0178 57.5577 35.0378 175.0619 19 G 3.6413 8.7343 110.4111 46.8634 0.0000 175.7502 20 D 4.5763 8.7090 122.0792 55.8342 41.1191 177.4495 21 R 3.8206 7.5971 118.8471 57.1976 30.2867 178.0109 22 G 3.8559 8.5696 106.6639 44.7669 0.0000 171.5851 23 F 5.4039 7.4108 112.2120 55.7642 40.8159 172.8693 24 Y 4.8006 8.6983 118.2602 56.2096 40.6959 176.6302 25 F 4.5931 9.0542 120.8938 59.9117 39.6501 175.1992 26 N 5.9713 8.2606 115.4929 51.6534 42.9562 174.2128 27 K 4.7266 9.1665 120.4773 53.8455 36.2085 174.3583 28 P 4.9731 0.0000 0.0000 62.9008 31.5802 176.9453 29 T 3.9589 8.6032 112.3567 63.2156 68.9842 175.9207 30 G 3.8164 8.5666 109.5281 45.0183 0.0000 172.2357 31 Y 4.6485 7.4930 115.9849 55.5125 41.2049 175.7094 32 G 3.8459 8.4784 110.2055 44.9907 0.0000 173.6360 33 S 4.3655 8.5007 115.5511 58.1150 63.1793 173.5870 34 S 4.8427 8.7970 122.1183 56.1716 64.4443 174.6978 35 S 4.1201 8.7637 120.7654 61.4676 62.5755 175.8095 36 R 4.4061 7.9661 115.6898 56.2384 29.7396 176.8818 37 R 4.4214 8.0655 117.6637 55.2320 33.1730 179.0972 38 A 4.5093 8.5604 126.9400 50.7469 19.2162 175.3473 39 P 4.6319 0.0000 0.0000 63.6997 32.2969 175.5320 40 Q 5.2614 7.8306 116.9416 54.3653 32.8389 174.4148 41 T 4.7965 8.7884 111.4194 60.0167 72.0528 173.3348 42 G 4.5514 8.4933 109.6061 44.1558 0.0000 173.8432 43 I 3.2846 8.3333 123.1901 63.3291 37.7498 178.7891 44 V 3.5639 7.7660 118.9275 66.0598 31.2292 177.2303 45 D 4.5801 8.2176 117.2573 57.6198 41.1067 177.8367 46 E 3.9742 8.4414 118.7926 58.5555 29.6122 177.7414 47 C 4.6981 8.4049 115.7550 57.8063 41.2368 174.9791 48 C 4.1305 8.2034 119.1407 57.1783 43.6350 174.0948 49 F 4.4528 7.4126 114.9213 57.2626 39.4258 175.6841 50 R 4.4973 7.4897 116.4313 55.5532 32.8466 175.4953 51 S 4.7515 7.1747 113.0482 57.8686 66.8246 174.1752 52 C 5.1693 8.8864 124.3771 55.0857 42.9921 172.1048 53 D 4.6612 8.2409 122.6702 51.2741 42.4390 175.9953 54 L 4.0314 8.6993 118.2846 57.7689 41.3137 179.6549 55 R 3.8951 8.0359 118.2554 59.5270 29.8467 178.4397 56 R 3.9997 8.3319 117.2382 59.3620 30.3678 178.0137 57 L 4.1517 7.9430 118.8734 57.9759 41.7857 179.2036 58 E 3.9756 8.3523 119.0051 59.4692 29.3013 178.6185 59 M 4.2014 7.8937 117.7706 57.3843 32.2082 176.5039 60 Y 4.4687 8.0404 115.6194 57.7575 38.8349 174.7735 61 C 5.0277 7.9623 117.9467 56.8142 40.8580 173.6994 62 A 4.5011 8.6344 124.7423 50.7330 19.2794 175.9412 63 P 4.4637 0.0000 0.0000 63.1705 31.1084 176.6431 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 2 P 0.00 4.42 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 E 7.30 4.70 0.00 2.07 2.01 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 2.25 2.35 0.00 4 T 9.13 5.11 4.27 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 1.19 0.00 0.00 5 L 8.56 4.86 0.00 1.50 1.46 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.20 4.83 0.00 2.82 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 7 G 8.54 3.58 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 0.00 0.00 0.00 8 A 8.61 4.05 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 9 E 8.09 3.90 0.00 2.19 1.96 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 2.36 2.33 0.00 10 L 7.71 3.85 0.00 1.77 1.86 0.80 1.31 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 11 V 7.65 3.27 2.26 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 1.16 0.00 0.00 1.10 0.00 0.00 12 D 8.49 4.33 0.00 2.81 2.67 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 13 A 8.06 4.00 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 14 L 7.92 3.80 0.00 1.30 0.85 0.19 0.97 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 15 Q 8.16 4.02 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 16 F 8.13 4.19 0.00 2.92 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.71 3.51 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 0.86 0.00 0.00 1.06 0.00 0.00 18 C 8.66 4.48 0.00 3.11 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 19 G 8.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.71 4.58 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 21 R 7.60 3.82 0.00 1.90 2.18 0.00 3.23 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 22 G 8.57 3.86 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 0.00 0.00 0.00 23 F 7.41 5.40 0.00 3.16 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 24 Y 8.70 4.80 0.00 3.06 3.13 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 25 F 9.05 4.59 0.00 3.32 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 26 N 8.26 5.97 0.00 2.68 2.79 0.00 0.00 6.67 7.61 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 27 K 9.17 4.73 0.00 1.63 1.54 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.23 7.81 28 P 0.00 4.97 0.00 2.04 2.03 0.00 3.67 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 1.92 1.90 0.00 29 T 8.60 3.96 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 1.27 0.00 0.00 30 G 8.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 4.65 0.00 2.96 2.87 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 32 G 8.48 3.85 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 0.00 0.00 0.00 33 S 8.50 4.37 0.00 3.86 3.80 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 34 S 8.80 4.84 0.00 3.86 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 35 S 8.76 4.12 0.00 3.90 3.94 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 0.00 0.00 0.00 36 R 7.97 4.41 0.00 1.91 2.02 0.00 3.05 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 37 R 8.07 4.42 0.00 1.72 1.79 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 38 A 8.56 4.51 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 39 P 0.00 4.63 0.00 2.25 2.33 0.00 3.67 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 2.06 1.99 0.00 40 Q 7.83 5.26 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 41 T 8.79 4.80 4.57 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 1.29 0.00 0.00 42 G 8.49 4.55 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 43 I 8.33 3.28 0.56 0.00 0.00 0.51 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 1.16 0.85 0.00 0.00 44 V 7.77 3.56 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 1.26 0.00 0.00 1.05 0.00 0.00 45 D 8.22 4.58 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.44 3.97 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 47 C 8.40 4.70 0.00 3.08 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 C 8.20 4.13 0.00 2.79 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 49 F 7.41 4.45 0.00 3.34 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 50 R 7.49 4.50 0.00 2.02 1.75 0.00 3.30 0.00 0.00 3.32 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 51 S 7.17 4.75 0.00 3.85 3.80 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 52 C 8.89 5.17 0.00 3.15 2.94 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 0.00 0.00 0.00 53 D 8.24 4.66 0.00 2.80 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 54 L 8.70 4.03 0.00 1.74 1.79 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.04 3.90 0.00 1.86 2.17 0.00 3.39 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 56 R 8.33 4.00 0.00 1.98 2.12 0.00 3.73 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 57 L 7.94 4.15 0.00 1.92 1.70 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.35 3.98 0.00 2.18 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 2.31 2.41 0.00 59 M 7.89 4.20 0.00 1.84 2.40 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 2.86 2.57 0.00 60 Y 8.04 4.47 0.00 3.20 3.26 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 61 C 7.96 5.03 0.00 2.94 3.06 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 62 A 8.63 4.50 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 63 P 0.00 4.46 0.00 1.98 2.03 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00