NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2861 8.1127 119.7056 55.9799 31.5807 173.6854 5 E 4.6739 8.2882 120.3707 53.0650 32.2535 173.5189 6 C 4.0549 9.6169 127.7543 59.9320 32.4608 173.4231 7 D 4.4225 8.5090 125.7890 55.8041 39.6549 175.8280 8 Y 4.4720 7.2795 118.0433 58.8048 41.5984 176.3514 9 C 3.9669 8.0333 114.3445 59.2321 30.7327 175.5260 10 G 4.1232 8.3469 107.5944 45.0306 0.0000 173.5517 11 T 4.3478 7.6785 109.6652 61.3373 70.4862 173.4519 12 D 4.8762 8.5192 122.4185 54.4616 41.7215 176.3725 13 I 4.1365 8.4796 124.9968 59.9252 37.3838 175.4962 14 E 3.8339 9.0159 128.8899 55.6667 29.6650 174.5732 15 P 4.3734 0.0000 0.0000 64.5103 31.4665 175.7607 16 G 3.9037 9.2970 106.9005 46.6674 0.0000 173.2866 17 T 4.5123 7.4897 113.6692 62.6253 72.7849 174.4562 18 G 4.1025 9.1238 108.9719 45.5901 0.0000 172.4894 19 T 4.8316 8.4592 113.6091 61.7614 72.9986 173.2978 20 M 4.9868 8.6913 123.3839 53.8845 34.5445 174.3909 21 F 4.7132 9.4492 130.0811 57.2312 41.2433 174.4014 22 V 4.3361 7.5340 126.3552 61.5147 32.3133 175.4062 23 H 4.2324 8.9690 126.0111 54.9133 29.5660 176.4531 24 K 3.8160 8.8956 122.5609 59.8682 31.7562 177.9166 25 D 4.4186 7.9906 115.4475 54.1731 39.4690 176.5165 26 G 3.9531 8.0774 106.9810 45.2419 0.0000 174.1942 27 A 4.2343 9.4404 123.2854 52.8177 19.6401 176.5994 28 T 5.1054 8.3851 115.0046 62.0843 72.2476 173.9696 29 T 4.6742 8.9068 121.3360 62.1993 72.3844 172.6650 30 H 5.0363 10.0568 125.3607 55.0730 30.4145 174.6915 31 F 5.2374 9.8080 122.7311 55.9277 41.3050 176.5672 32 C 4.3632 9.0886 116.6242 60.3310 30.5385 173.5962 33 S 4.6013 7.5784 114.1039 56.3182 66.3240 175.5849 34 S 4.7428 8.3774 117.8488 60.8688 62.7784 175.8568 35 K 3.7155 8.1138 123.0870 59.6351 31.6741 178.1444 36 C 4.2679 7.9047 116.4131 62.8642 28.1293 175.5930 37 E 2.6576 7.5905 119.6297 59.3876 28.8766 179.3729 38 N 4.1769 8.4590 116.2714 56.4526 38.4206 177.3195 39 N 4.3903 8.3031 117.6068 56.0059 38.4571 177.4723 40 A 4.0661 7.8031 122.3832 55.3745 18.3611 179.4032 41 D 3.7148 7.8458 115.8322 57.0693 40.9049 178.2940 42 L 4.3236 7.3473 117.5985 54.7841 41.8448 177.7005 43 G 3.9621 8.8479 108.6151 45.5719 0.0000 174.0990 44 R 4.2972 7.5280 118.0911 55.4972 31.1440 175.6960 45 E 4.5739 8.4850 119.9235 54.3670 31.4239 176.9182 46 A 3.4906 8.1539 126.9621 55.2999 18.4512 179.6602 47 R 3.7985 7.6980 113.3690 59.1122 30.1700 177.2309 48 N 4.5130 8.3681 113.1045 53.2599 39.0934 174.6883 49 L 4.4666 7.3187 120.3712 52.6684 42.2436 177.2562 50 E 3.9642 8.7856 124.6130 58.4718 29.5454 178.3038 51 W 4.5240 7.5806 114.0075 57.6826 29.2487 176.6673 52 T 3.8351 7.1450 118.0573 62.9798 68.4170 175.1013 53 D 4.3551 8.8245 126.2537 57.8838 40.5651 177.6963 54 T 3.6442 7.5922 114.2063 66.7405 68.9588 174.7881 55 A 3.9911 7.8100 125.0130 55.5236 18.7200 177.6886 56 R 4.0828 8.1859 118.2623 56.5760 30.0457 176.4456 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 R 8.11 4.29 0.00 1.89 1.89 0.00 3.02 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.29 4.67 0.00 1.94 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 2.17 2.40 0.00 6 C 9.62 4.05 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.42 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.28 4.47 0.00 2.82 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 9 C 8.03 3.97 0.00 3.12 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 11 T 7.68 4.35 4.30 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 1.33 0.00 0.00 12 D 8.52 4.88 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.14 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.97 0.00 0.00 14 E 9.02 3.83 0.00 2.06 1.90 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 2.40 2.41 0.00 15 P 0.00 4.37 0.00 2.22 2.08 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.30 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 17 T 7.49 4.51 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 9.12 4.10 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 0.00 0.00 0.00 19 T 8.46 4.83 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.69 4.99 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.40 0.00 21 F 9.45 4.71 0.00 3.35 3.22 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 22 V 7.53 4.34 1.82 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.97 4.23 0.00 3.33 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.90 3.82 0.00 1.75 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 D 7.99 4.42 0.00 2.83 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 26 G 8.08 3.95 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 0.00 0.00 0.00 27 A 9.44 4.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 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 1.21 0.00 0.00 29 T 8.91 4.67 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 30 H 10.06 5.04 0.00 3.06 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.81 5.24 0.00 3.01 3.08 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 32 C 9.09 4.36 0.00 3.17 3.16 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 0.00 0.00 0.00 0.00 33 S 7.58 4.60 0.00 4.05 4.04 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 34 S 8.38 4.74 0.00 3.99 4.10 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 35 K 8.11 3.72 0.00 1.75 1.86 0.00 1.38 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.39 1.37 7.81 36 C 7.90 4.27 0.00 3.36 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 37 E 7.59 2.66 0.00 1.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.21 0.00 38 N 8.46 4.18 0.00 2.78 2.79 0.00 0.00 7.13 7.20 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 39 N 8.30 4.39 0.00 3.08 3.14 0.00 0.00 6.93 7.15 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 40 A 7.80 4.07 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.85 3.71 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 4.32 0.00 1.80 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.85 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 0.00 0.00 0.00 44 R 7.53 4.30 0.00 2.13 1.98 0.00 3.26 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 45 E 8.49 4.57 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 46 A 8.15 3.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.80 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.37 4.51 0.00 2.70 2.82 0.00 0.00 6.92 7.89 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 49 L 7.32 4.47 0.00 1.16 0.83 1.07 1.04 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 50 E 8.79 3.96 0.00 2.02 2.06 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 2.30 2.30 0.00 51 W 7.58 4.52 0.00 3.58 3.23 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 52 T 7.14 3.84 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 0.98 0.00 0.00 53 D 8.82 4.36 0.00 2.80 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 54 T 7.59 3.64 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 1.06 0.00 0.00 55 A 7.81 3.99 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 56 R 8.19 4.08 0.00 1.95 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00