NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5528 8.0433 122.7626 54.8806 43.9840 175.0350 2 K 5.0567 8.9905 125.4409 54.5353 34.9586 173.2939 3 C 5.4448 9.8404 122.1199 54.9940 45.0363 173.1329 4 N 5.4605 9.3070 119.0554 53.6719 38.8083 174.2692 5 Q 4.8707 8.6701 118.3262 54.2651 32.3525 175.7506 6 L 4.2228 8.6381 118.8733 57.0921 42.2523 178.0249 7 I 4.1120 7.5104 119.1705 59.3475 38.1349 173.4687 8 P 3.2722 0.0000 0.0000 62.2364 31.5031 174.3228 9 P 4.1762 0.0000 0.0000 63.0071 31.3076 176.8491 10 F 4.4239 9.2857 115.9707 58.5409 36.8950 173.8957 11 W 5.9208 7.3008 116.2448 55.3910 31.2480 173.7377 12 K 4.3451 9.1108 118.6664 55.8525 35.9670 174.8944 13 T 4.9306 8.3404 118.1534 63.0599 69.3924 175.5940 14 C 4.6917 9.0027 124.8932 56.1706 35.4191 172.1862 15 P 4.5396 0.0000 0.0000 61.2983 32.2433 175.3189 16 K 3.9956 8.3693 119.7621 58.3101 32.1094 176.6634 17 G 3.8908 9.1861 114.6483 44.8817 0.0000 173.0548 18 K 4.4320 7.5269 118.4466 55.3232 32.1196 175.3200 19 N 4.9768 8.6587 120.0516 52.6411 39.2655 174.6906 20 L 5.1118 7.6426 117.2968 53.3199 46.4634 174.8312 21 C 5.5568 9.0823 118.9745 55.9727 37.1626 172.4322 22 Y 5.4955 8.6578 118.8211 55.8138 42.0411 173.4988 23 K 4.7366 8.9373 119.8400 54.8844 36.3305 174.3062 24 M 5.1923 8.8499 126.5641 53.9901 34.9922 174.4462 25 T 4.9118 8.5122 114.8653 60.2656 73.4144 172.0698 26 M 4.7525 8.2833 121.2666 53.6838 34.2975 175.2549 27 R 3.9461 8.4070 125.3871 58.1207 30.5555 176.3229 28 A 3.7173 8.9651 125.4544 52.6541 16.8123 177.5608 29 A 4.7750 7.8097 118.8864 51.1646 18.9208 176.5998 30 P 4.3449 0.0000 0.0000 65.1776 32.0921 177.8665 31 M 4.2276 7.9300 114.6296 56.0970 31.6881 176.6866 32 V 4.2374 7.1136 119.9938 59.8657 31.2816 171.7211 33 P 4.4929 0.0000 0.0000 62.3648 31.9753 177.6921 34 V 4.1402 8.2152 114.9462 61.8925 32.7339 176.3873 35 K 4.6433 7.5003 118.3567 54.9734 35.7180 175.1874 36 R 4.4779 7.4663 120.9354 55.0765 33.5980 173.9225 37 G 4.5380 7.1718 113.0515 46.8559 0.0000 170.7020 38 C 5.2764 8.8251 119.3282 55.9893 40.8821 172.5493 39 I 4.5532 8.4100 121.5457 59.8858 40.4496 174.3857 40 D 4.5170 8.0931 122.8239 54.1220 40.2696 176.2396 41 V 4.2049 7.0960 113.6433 58.2975 33.5604 176.3519 42 C 4.2455 8.5343 125.0167 55.5175 43.9675 171.5845 43 P 4.2922 0.0000 0.0000 61.8438 31.5797 175.8101 44 K 4.1924 8.0909 121.5980 56.1317 32.8468 177.0954 45 S 4.8469 8.5107 121.8600 58.2196 63.8854 173.0768 46 S 4.7643 8.2555 115.5861 56.6937 65.8533 173.3496 47 L 4.0527 8.7555 120.8748 58.3255 41.9590 178.1228 48 L 4.2551 7.9038 119.1140 55.9380 43.0137 175.4230 49 I 4.7104 7.3796 118.9387 59.2797 39.4695 174.9608 50 K 4.9171 8.6972 126.3861 54.7097 34.8050 174.8277 51 Y 5.5478 8.6931 122.3117 56.3588 41.1683 175.0872 52 M 5.0259 8.9074 118.7136 53.8412 34.6953 173.6385 53 C 5.7715 8.8729 117.9160 55.6839 45.3080 171.8191 54 C 5.0398 9.1359 115.7689 54.1634 45.4643 173.6395 55 N 5.3021 8.6746 113.8125 52.4279 37.4963 173.9288 56 T 4.6899 7.6767 107.0553 59.6946 71.7120 173.1684 57 D 4.4725 8.7922 121.7085 56.5324 41.2841 177.2423 58 K 3.8735 8.5764 124.2559 57.5942 30.1918 173.3816 59 C 4.5464 8.2453 111.3012 55.8960 42.8978 173.2849 60 N 4.5382 7.9920 122.8432 52.9976 37.1696 174.5758 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 L 8.04 4.55 0.00 1.82 1.65 1.00 0.50 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 2 K 8.99 5.06 0.00 1.74 1.78 0.00 1.51 0.00 0.00 1.22 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.55 7.81 3 C 9.84 5.44 0.00 2.93 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 4 N 9.31 5.46 0.00 2.74 2.81 0.00 0.00 6.71 8.55 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 5 Q 8.67 4.87 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 6 L 8.64 4.22 0.00 1.70 1.83 0.93 0.83 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 7 I 7.51 4.11 1.80 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 1.41 0.98 0.80 0.00 0.00 8 P 0.00 3.27 0.00 1.73 1.50 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 9 P 0.00 4.18 0.00 2.18 2.00 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.00 10 F 9.29 4.42 0.00 3.42 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 11 W 7.30 5.92 0.00 3.53 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.11 4.35 0.00 1.71 1.86 0.00 1.30 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 13 T 8.34 4.93 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 1.29 0.00 0.00 14 C 9.00 4.69 0.00 2.90 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 15 P 0.00 4.54 0.00 2.23 2.20 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 16 K 8.37 4.00 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.52 7.81 17 G 9.19 3.89 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 0.00 0.00 0.00 18 K 7.53 4.43 0.00 1.79 1.89 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 19 N 8.66 4.98 0.00 2.67 2.81 0.00 0.00 6.93 7.85 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 20 L 7.64 5.11 0.00 1.72 1.54 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.08 5.56 0.00 2.93 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 22 Y 8.66 5.50 0.00 3.21 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 23 K 8.94 4.74 0.00 1.77 1.61 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.30 7.81 24 M 8.85 5.19 0.00 2.17 2.06 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 1.90 2.28 0.00 25 T 8.51 4.91 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 26 M 8.28 4.75 0.00 2.09 1.91 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 2.57 2.50 0.00 27 R 8.41 3.95 0.00 1.78 1.82 0.00 3.52 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 28 A 8.97 3.72 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 29 A 7.81 4.77 1.22 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 0.00 0.00 30 P 0.00 4.34 0.00 2.17 2.18 0.00 3.75 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 1.97 1.94 0.00 31 M 7.93 4.23 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 32 V 7.11 4.24 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 0.83 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.49 0.00 2.17 2.00 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 34 V 8.22 4.14 2.08 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 0.69 0.00 0.00 0.97 0.00 0.00 35 K 7.50 4.64 0.00 1.86 1.72 0.00 1.93 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 36 R 7.47 4.48 0.00 1.69 1.65 0.00 3.24 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 37 G 7.17 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.83 5.28 0.00 3.05 3.09 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 39 I 8.41 4.55 1.36 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.76 0.00 0.00 40 D 8.09 4.52 0.00 2.76 2.81 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 41 V 7.10 4.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.83 0.00 0.00 42 C 8.53 4.25 0.00 2.89 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 43 P 0.00 4.29 0.00 0.52 1.43 0.00 3.19 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.58 0.00 44 K 8.09 4.19 0.00 1.69 1.72 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 45 S 8.51 4.85 0.00 3.98 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 46 S 8.26 4.76 0.00 3.95 3.87 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 47 L 8.76 4.05 0.00 1.63 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.90 4.26 0.00 1.75 1.62 0.91 0.97 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 49 I 7.38 4.71 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.53 0.00 0.00 50 K 8.70 4.92 0.00 1.57 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.50 7.81 51 Y 8.69 5.55 0.00 2.88 2.88 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 52 M 8.91 5.03 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 53 C 8.87 5.77 0.00 2.86 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 54 C 9.14 5.04 0.00 2.98 3.17 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 55 N 8.67 5.30 0.00 2.81 2.89 0.00 0.00 5.80 7.71 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 56 T 7.68 4.69 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 1.22 0.00 0.00 57 D 8.79 4.47 0.00 2.66 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 58 K 8.58 3.87 0.00 1.83 1.85 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.54 1.33 7.81 59 C 8.25 4.55 0.00 3.09 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 60 N 7.99 4.54 0.00 2.82 2.85 0.00 0.00 5.93 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