NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9756 8.3544 109.7368 44.6662 0.0000 176.7291 2 K 4.0783 8.4822 126.3917 56.1181 35.9473 167.6322 3 E 4.5160 9.2023 118.0190 56.3537 33.2345 176.7969 4 C 5.1035 8.7641 111.9186 56.6407 39.8691 172.3277 5 D 4.3316 8.5378 124.7348 56.2666 41.0814 174.9124 6 C 5.3506 7.9046 110.8502 53.4690 44.6021 173.0625 7 S 4.3605 8.4864 111.9790 58.2131 64.7140 174.2685 8 S 4.6592 7.7788 118.2022 56.5041 63.7657 173.0314 9 P 4.5430 0.0000 0.0000 64.3287 31.6505 176.7893 10 E 4.2491 7.9104 117.4489 57.3497 30.1098 176.0157 11 N 4.3273 7.6840 117.8492 53.1586 39.1252 173.4974 12 P 4.3262 0.0000 0.0000 64.5249 32.3562 177.8477 13 C 4.6868 7.7521 117.5029 57.1427 40.0627 170.7248 14 C 5.2776 7.7446 113.7875 54.3923 37.5931 173.1418 15 D 4.2726 8.9554 124.3804 54.6317 40.7207 177.0964 16 A 4.1201 8.6280 128.9605 53.9723 18.7105 177.4308 17 A 4.4112 7.9227 117.4579 53.0524 19.1779 178.0544 18 T 4.4863 7.6021 102.8496 60.1878 70.9073 173.6087 19 C 4.2678 8.2082 119.8249 56.4612 42.1743 170.5456 20 K 4.8183 6.9953 120.0720 55.1908 36.8043 175.5721 21 L 4.8714 8.5237 121.0623 54.7951 42.3364 176.9580 22 R 4.3277 8.2966 122.1751 54.2361 31.0109 175.9865 23 P 4.6455 0.0000 0.0000 61.1536 28.5760 175.7560 24 G 4.5106 7.3858 114.6532 46.1258 0.0000 170.4563 25 A 4.3604 7.6259 122.5155 52.3589 21.9704 177.9117 26 Q 4.1845 7.4782 119.3633 55.3984 30.2903 172.9891 27 C 4.7693 7.4607 107.6812 54.5494 43.3224 174.2270 28 G 4.1380 8.8473 111.7892 44.6062 0.0000 173.3349 29 E 4.8545 7.3629 114.8237 55.7742 31.4299 176.4897 30 G 4.0437 7.8902 107.8768 46.4120 0.0000 171.4533 31 L 4.5291 8.7860 118.9295 55.2608 44.5047 178.1781 32 C 5.0283 8.4454 116.3806 56.1464 40.2285 173.8240 33 C 4.9723 7.7968 117.8694 54.4318 45.6349 173.1036 34 E 4.0623 8.6578 129.8727 55.8319 29.5660 176.5001 35 Q 4.0775 8.4573 116.1157 57.7663 26.8223 176.5911 36 C 4.4264 8.3786 127.5180 56.6562 39.1877 174.4693 37 K 4.2568 7.6682 117.6382 55.3203 34.9724 175.3579 38 F 4.5849 8.5691 122.8202 58.4263 39.1762 177.1725 39 S 4.5371 8.5110 120.9608 58.8135 63.5425 173.3376 40 R 4.5439 8.4874 119.1802 55.5082 31.4432 177.8588 41 A 4.8037 8.0138 124.7990 53.3581 18.5068 177.8407 42 G 4.2081 8.5950 105.4390 46.4167 0.0000 172.8557 43 K 4.5805 7.4379 119.3466 54.2099 35.1149 175.7022 44 I 4.3198 8.2718 125.6879 61.3142 36.8432 176.2476 45 C 4.5858 8.8096 127.3966 56.4654 44.1312 172.5213 46 R 4.3478 7.0171 116.2574 57.1995 32.7666 171.8958 47 I 5.0517 8.5341 119.3809 59.2024 41.5395 173.6192 48 A 4.9529 8.4732 126.5490 50.6752 21.8243 176.4153 49 R 5.2597 8.1806 114.1164 56.0610 32.4157 175.9586 50 G 2.4846 5.5735 105.0465 46.3405 0.0000 174.1200 51 D 4.0519 6.9626 120.4182 56.4167 41.3540 175.7492 52 W 3.6294 8.5389 118.2998 56.6306 24.9158 174.3183 53 N 4.9416 7.4456 116.1499 51.4140 40.4598 173.7881 54 D 4.5327 8.1182 120.1918 54.8489 42.4312 177.1418 55 D 4.7089 8.8696 121.9358 53.5729 40.4092 174.2538 56 R 5.2661 8.6603 120.3741 56.1788 29.2471 175.6938 57 C 3.8726 8.2937 120.1861 55.5763 42.0459 174.4955 58 T 4.5757 8.3077 113.6341 60.6960 69.9260 174.5884 59 G 3.8141 8.3180 108.5682 46.7792 0.0000 174.1798 60 Q 3.9362 7.7475 116.9462 54.9458 30.2320 174.8015 61 S 4.1852 7.2015 111.7437 56.2986 64.7974 173.2876 62 A 4.9561 8.4079 123.5562 52.8544 21.2204 175.8850 63 D 4.9672 7.7878 114.9851 53.3628 43.4016 175.2256 64 C 4.9443 8.3383 116.5394 55.3762 43.8360 172.1173 65 P 4.5334 0.0000 0.0000 61.8741 31.8900 176.3154 66 R 4.2849 8.1696 117.7214 56.3758 30.5426 174.8873 67 Y 4.4728 8.2699 116.2208 59.2008 41.3914 174.0820 68 H 4.4946 8.2985 121.8399 56.1986 29.9595 174.4504 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 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.08 0.00 1.72 1.59 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.55 7.81 3 E 9.20 4.52 0.00 1.89 1.73 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 2.15 2.34 0.00 4 C 8.76 5.10 0.00 3.00 3.27 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 0.00 5 D 8.54 4.33 0.00 2.68 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 6 C 7.90 5.35 0.00 3.06 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 7 S 8.49 4.36 0.00 3.96 3.99 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 8 S 7.78 4.66 0.00 3.90 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 9 P 0.00 4.54 0.00 2.17 2.16 0.00 3.75 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 1.98 1.98 0.00 10 E 7.91 4.25 0.00 1.95 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 2.26 2.34 0.00 11 N 7.68 4.33 0.00 2.85 2.69 0.00 0.00 6.84 7.59 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 12 P 0.00 4.33 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 13 C 7.75 4.69 0.00 3.09 3.34 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 14 C 7.74 5.28 0.00 3.13 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 15 D 8.96 4.27 0.00 2.68 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 16 A 8.63 4.12 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 17 A 7.92 4.41 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 18 T 7.60 4.49 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 19 C 8.21 4.27 0.00 3.05 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 20 K 7.00 4.82 0.00 1.79 1.63 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.50 1.52 7.81 21 L 8.52 4.87 0.00 1.50 1.56 0.85 0.99 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 22 R 8.30 4.33 0.00 1.79 1.79 0.00 3.37 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 23 P 0.00 4.65 0.00 2.20 2.07 0.00 3.88 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 1.97 1.95 0.00 24 G 7.39 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.63 4.36 1.12 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 26 Q 7.48 4.18 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 27 C 7.46 4.77 0.00 3.03 2.48 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 0.00 28 G 8.85 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.36 4.85 0.00 2.03 1.89 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 2.18 2.20 0.00 30 G 7.89 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 0.00 0.00 0.00 31 L 8.79 4.53 0.00 1.61 1.69 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.45 5.03 0.00 3.01 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 33 C 7.80 4.97 0.00 2.99 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 34 E 8.66 4.06 0.00 2.04 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 2.33 2.27 0.00 35 Q 8.46 4.08 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 36 C 8.38 4.43 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 37 K 7.67 4.26 0.00 1.71 1.68 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 38 F 8.57 4.58 0.00 2.99 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 39 S 8.51 4.54 0.00 3.84 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 40 R 8.49 4.54 0.00 1.71 1.86 0.00 3.40 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 41 A 8.01 4.80 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 42 G 8.59 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.44 4.58 0.00 1.92 1.72 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.46 7.81 44 I 8.27 4.32 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 1.02 0.00 0.00 45 C 8.81 4.59 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 46 R 7.02 4.35 0.00 1.90 1.93 0.00 3.57 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 47 I 8.53 5.05 1.93 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 1.42 1.16 0.98 0.00 0.00 48 A 8.47 4.95 1.26 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 0.00 0.00 49 R 8.18 5.26 0.00 1.82 2.05 0.00 3.28 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 50 G 5.57 2.48 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 0.00 0.00 0.00 0.00 51 D 6.96 4.05 0.00 2.43 2.47 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 0.00 52 W 8.54 3.63 0.00 3.76 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.45 4.94 0.00 1.94 1.94 0.00 0.00 6.92 7.94 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 54 D 8.12 4.53 0.00 2.61 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 55 D 8.87 4.71 0.00 2.65 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 56 R 8.66 5.27 0.00 1.73 1.94 0.00 3.48 0.00 0.00 4.01 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 57 C 8.29 3.87 0.00 2.89 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 58 T 8.31 4.58 4.15 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 1.14 0.00 0.00 59 G 8.32 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 60 Q 7.75 3.94 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 61 S 7.20 4.19 0.00 3.60 3.63 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 62 A 8.41 4.96 1.57 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 0.00 0.00 0.00 63 D 7.79 4.97 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.34 4.94 0.00 2.87 2.93 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 65 P 0.00 4.53 0.00 2.02 1.96 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 66 R 8.17 4.28 0.00 1.94 1.98 0.00 2.95 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Y 8.27 4.47 0.00 3.13 2.83 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 68 H 8.30 4.49 0.00 2.94 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00