NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9674 8.3393 109.7334 45.3652 0.0000 173.2034 5 S 4.0898 8.6039 113.0630 60.7777 63.5563 173.4110 6 D 4.7649 8.2699 119.8728 52.4647 42.7500 174.1590 7 P 4.5387 0.0000 0.0000 61.1129 32.8081 175.3043 8 P 4.4477 0.0000 0.0000 63.0761 31.9109 176.0303 9 T 4.4873 8.1174 116.7663 61.5850 70.4559 174.3670 10 A 4.2897 8.4688 128.7092 51.9932 18.9539 177.6146 11 C 4.8998 8.4685 119.8287 55.2617 43.9267 174.1173 12 C 4.6668 8.2606 120.0685 55.4785 41.3274 173.5831 13 F 4.6030 8.5159 122.5204 57.4856 40.6341 176.0450 14 S 4.5843 7.7812 113.4152 56.4296 65.0435 173.1331 15 Y 4.8805 8.0303 120.5612 56.6308 39.6882 174.9784 16 T 4.2284 8.4390 116.2311 61.9918 67.8790 174.5195 17 A 4.4271 8.6093 129.9099 52.9335 19.4551 177.3382 18 R 4.2766 7.2730 114.0037 54.3459 31.3853 176.1374 19 K 2.4800 7.8973 123.2609 54.6754 32.3695 176.6776 20 L 3.9239 6.7758 126.5851 53.7007 42.4289 175.2998 21 P 4.0028 0.0000 0.0000 62.4327 31.5675 177.2631 22 R 3.4992 8.8235 124.2149 59.2882 29.8776 177.2847 23 N 4.6842 7.8474 112.1462 53.8313 38.0810 175.7562 24 F 4.5353 8.6396 119.3536 59.6433 39.4673 175.5330 25 V 4.5344 7.4775 121.1072 62.2327 31.6801 175.6779 26 V 4.4620 8.2944 119.6226 61.2871 33.3898 174.5995 27 D 4.8307 7.8988 118.8981 54.0858 44.5824 173.1800 28 Y 5.6289 8.5118 119.0910 56.1757 41.6158 173.2429 29 Y 4.5015 8.3631 116.1032 56.0107 41.6618 172.9540 30 E 5.1348 8.7470 121.6205 54.6721 31.5896 175.5741 31 T 4.3661 8.3354 116.4656 61.1392 69.9849 174.1186 32 S 4.0346 8.8232 117.4781 58.3845 62.9612 175.6680 33 S 4.1677 8.6410 120.9821 60.9552 62.8977 175.5814 34 L 4.1254 8.0394 120.9110 57.2619 41.5528 177.1058 35 C 4.5439 7.9715 116.5182 56.3544 40.6721 173.8974 36 S 4.2150 8.8124 117.9264 60.8739 62.6715 174.4971 37 Q 4.6454 7.4691 115.7070 53.2878 31.5449 172.6653 38 P 4.4931 0.0000 0.0000 62.6199 32.5581 175.6758 39 A 4.7019 8.1462 120.7111 50.8069 23.2096 175.1310 40 V 4.2670 8.1322 120.5376 61.3662 33.7600 174.8613 41 V 4.4309 8.0787 128.0304 61.1176 33.2062 174.7059 42 F 5.2514 8.9946 127.4828 57.0681 41.0139 174.8426 43 Q 5.3020 9.2031 120.7272 54.4431 31.6835 175.8251 44 T 4.8440 8.7134 115.0190 60.5255 70.3946 175.6032 45 K 3.8153 8.9102 123.7346 59.7586 32.0460 177.4684 46 R 4.2189 7.8598 114.3775 55.9967 30.0551 176.9113 47 S 4.0164 8.4671 113.2736 58.7777 61.1398 170.7957 48 K 4.3780 7.7831 120.3480 56.6596 33.3205 175.8967 49 Q 5.0666 8.5861 119.9685 54.2850 31.9303 175.1083 50 V 4.4497 8.9519 124.3930 60.9605 34.5489 173.9903 51 C 4.9138 9.0194 126.2377 57.0675 37.0332 172.6379 52 A 5.1273 9.4941 126.1777 49.8443 22.3668 174.9498 53 D 3.3700 8.0329 120.4772 52.3421 40.8194 175.3582 54 P 4.0439 0.0000 0.0000 65.2359 31.4578 178.2208 55 S 4.1510 8.5824 113.8588 60.4256 63.2307 174.8103 56 E 4.3967 8.0037 121.5419 55.0989 31.5506 177.4987 57 S 4.0801 8.4849 118.4948 61.1538 63.3727 176.7159 58 W 4.2990 8.1205 120.0246 59.2195 27.7660 178.2128 59 V 2.7826 6.3185 118.4119 65.4874 30.8343 177.8170 60 Q 3.9843 7.6179 117.2833 59.0773 28.5326 178.7334 61 E 3.9527 8.5555 119.9104 59.5716 29.4961 178.9641 62 Y 4.1571 8.7563 117.1619 61.1344 37.8980 178.8788 63 V 3.2619 7.9885 118.9672 66.2499 31.5543 177.4632 64 Y 3.8602 8.4014 116.4367 61.3127 37.5043 178.4570 65 D 4.3760 8.2533 117.7194 57.1500 41.3723 177.9872 66 L 4.1772 7.9105 118.9131 57.6955 41.7367 178.7657 67 E 4.1443 8.3039 118.3994 58.2539 31.0340 177.5000 68 L 4.6796 7.4126 118.0364 53.0369 39.7711 176.0865 69 N 4.2562 7.6708 119.6976 54.7534 39.4483 175.1324 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 4 G 8.34 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 0.00 0.00 0.00 5 S 8.60 4.09 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.27 4.76 0.00 2.63 2.59 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 0.00 0.00 0.00 0.00 7 P 0.00 4.54 0.00 2.02 1.96 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 8 P 0.00 4.45 0.00 2.05 2.00 0.00 3.64 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 2.03 2.11 0.00 9 T 8.12 4.49 4.25 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 1.21 0.00 0.00 10 A 8.47 4.29 1.35 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 11 C 8.47 4.90 0.00 2.58 2.39 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 12 C 8.26 4.67 0.00 2.79 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 13 F 8.52 4.60 0.00 2.98 2.95 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 0.00 0.00 0.00 14 S 7.78 4.58 0.00 3.93 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 15 Y 8.03 4.88 0.00 3.06 2.90 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 16 T 8.44 4.23 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 1.61 0.00 0.00 17 A 8.61 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 18 R 7.27 4.28 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 19 K 7.90 2.48 0.00 0.85 1.13 0.00 1.37 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.50 0.21 7.81 20 L 6.78 3.92 0.00 1.65 1.61 1.18 1.27 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 21 P 0.00 4.00 0.00 0.56 1.28 0.00 3.23 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.51 0.00 22 R 8.82 3.50 0.00 1.50 1.77 0.00 2.32 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 23 N 7.85 4.68 0.00 2.95 2.92 0.00 0.00 6.05 7.43 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 24 F 8.64 4.54 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 25 V 7.48 4.53 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 0.87 0.00 0.00 0.97 0.00 0.00 26 V 8.29 4.46 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 0.75 0.00 0.00 1.09 0.00 0.00 27 D 7.90 4.83 0.00 2.77 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 28 Y 8.51 5.63 0.00 2.75 3.03 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 0.00 0.00 0.00 29 Y 8.36 4.50 0.00 2.88 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 30 E 8.75 5.13 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 31 T 8.34 4.37 4.31 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 1.28 0.00 0.00 32 S 8.82 4.03 0.00 3.87 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 33 S 8.64 4.17 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.13 0.00 1.65 1.79 0.92 0.99 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 35 C 7.97 4.54 0.00 3.00 2.90 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 36 S 8.81 4.21 0.00 4.08 4.19 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 37 Q 7.47 4.65 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 38 P 0.00 4.49 0.00 2.06 2.01 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 A 8.15 4.70 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 40 V 8.13 4.27 1.54 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 -0.09 0.00 0.00 0.69 0.00 0.00 41 V 8.08 4.43 0.67 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 0.68 0.00 0.00 0.61 0.00 0.00 42 F 8.99 5.25 0.00 3.19 3.04 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 0.00 0.00 0.00 43 Q 9.20 5.30 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 44 T 8.71 4.84 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 1.36 0.00 0.00 45 K 8.91 3.82 0.00 1.67 1.84 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.44 7.81 46 R 7.86 4.22 0.00 1.80 1.92 0.00 3.22 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 47 S 8.47 4.02 0.00 4.03 4.05 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 48 K 7.78 4.38 0.00 1.81 1.80 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.45 7.81 49 Q 8.59 5.07 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 50 V 8.95 4.45 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 1.29 0.00 0.00 1.10 0.00 0.00 51 C 9.02 4.91 0.00 3.10 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 52 A 9.49 5.13 1.02 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 0.00 0.00 53 D 8.03 3.37 0.00 1.58 2.30 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 54 P 0.00 4.04 0.00 1.95 1.97 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 55 S 8.58 4.15 0.00 3.75 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 56 E 8.00 4.40 0.00 1.79 1.70 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 2.33 2.22 0.00 57 S 8.48 4.08 0.00 4.01 4.09 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 0.00 0.00 0.00 0.00 58 W 8.12 4.30 0.00 3.23 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 59 V 6.32 2.78 1.70 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 0.65 0.00 0.00 -0.41 0.00 0.00 60 Q 7.62 3.98 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 61 E 8.56 3.95 0.00 2.29 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 0.00 2.28 2.35 0.00 62 Y 8.76 4.16 0.00 3.15 2.90 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 63 V 7.99 3.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.60 0.00 0.00 64 Y 8.40 3.86 0.00 3.20 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 65 D 8.25 4.38 0.00 2.77 2.82 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 66 L 7.91 4.18 0.00 1.91 1.91 1.22 0.90 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 67 E 8.30 4.14 0.00 2.07 1.99 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 2.28 2.35 0.00 68 L 7.41 4.68 0.00 1.77 1.68 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.67 4.26 0.00 3.04 2.69 0.00 0.00 7.07 7.56 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