NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.8547 8.1293 121.6801 57.8971 39.1509 174.1730 2 D 4.2583 8.2339 124.7445 51.6816 40.3930 175.0663 3 G 3.9696 7.8855 107.1790 46.3570 0.0000 176.0801 4 T 4.1162 7.9476 109.7965 62.5590 69.3718 174.9650 5 K 4.5300 8.0035 121.1516 54.9063 34.3604 175.7464 6 C 5.0685 8.6075 120.9032 54.7225 41.9221 173.7610 7 K 3.7855 8.8537 124.6517 59.6438 31.9613 176.3197 8 A 4.3477 7.7804 118.8139 50.7486 22.4124 175.0554 9 A 4.0732 8.6002 122.6369 54.1882 18.4149 178.3750 10 G 3.8696 9.1527 110.5642 45.6219 0.0000 173.0125 11 N 4.8547 8.6119 118.4248 52.0730 39.8017 173.1291 12 C 5.1691 8.6730 119.9939 55.8910 41.8284 174.2773 13 W 4.1047 7.7949 131.2003 57.1447 30.7718 175.3544 14 E 3.8656 5.9000 123.6519 53.0900 32.6865 173.7776 15 P 3.7500 0.0000 0.0000 61.9584 32.4776 176.4642 16 K 4.1344 8.1621 119.4368 55.1519 32.8031 174.4875 17 P 4.2793 0.0000 0.0000 65.3917 31.1415 176.5757 18 G 3.9515 9.3547 111.6043 44.9603 0.0000 172.3531 19 F 4.9358 8.0207 117.8478 54.3340 41.6956 173.7255 20 P 4.5434 0.0000 0.0000 62.9035 31.6660 176.1363 21 E 4.3582 8.7162 119.7162 57.8981 29.8578 176.7402 22 K 4.5889 7.8616 117.9987 54.6652 35.2522 176.6261 23 I 3.9006 8.4924 116.8566 61.5730 38.2026 175.7850 24 A 4.2685 7.3664 125.2931 53.7534 18.4893 177.7841 25 G 3.8612 9.9935 111.1951 45.9766 0.0000 173.6430 26 S 4.5898 7.8136 115.2975 55.9021 64.9909 174.8601 27 K 3.6930 8.2910 120.8301 59.1529 31.6091 176.5262 28 Y 4.8626 7.3544 114.5283 57.5739 38.0107 174.8040 29 D 4.5182 8.0331 121.0574 53.3291 41.4873 174.3997 30 P 4.2327 0.0000 0.0000 64.0775 31.7154 176.7870 31 K 3.8457 8.2934 115.3658 57.5893 29.6841 175.8914 32 H 4.3228 7.9665 114.8434 55.8283 29.7531 175.3638 33 D 4.6103 8.6351 123.8567 52.5542 40.9967 174.8629 34 P 4.5077 0.0000 0.0000 65.9269 30.5991 177.9989 35 K 3.8906 8.2628 118.3090 59.4764 32.3798 178.1183 36 E 4.1146 8.6019 119.0544 59.4141 29.3795 179.1303 37 L 4.0458 7.9687 116.7861 57.0914 41.5986 178.0949 38 N 4.7773 7.7200 114.9032 52.9869 39.0236 176.8602 39 K 3.9631 8.0302 121.7213 59.5735 32.1899 178.8461 40 Q 3.9844 8.1384 117.4866 59.0373 28.6278 178.8025 41 A 3.9813 7.9569 120.9883 55.3352 18.3805 179.2540 42 D 4.2592 7.8085 116.9605 57.4843 40.8899 178.6243 43 S 4.0776 8.1097 113.6501 61.7549 62.1865 176.5990 44 I 3.7393 7.7442 122.2904 64.2089 37.0079 178.4541 45 K 4.1232 8.2719 118.9978 59.1904 32.4251 179.2825 46 Q 3.9697 8.3706 120.4718 59.2651 28.5587 178.2645 47 M 4.0390 7.9972 119.6903 58.5499 31.9378 178.7269 48 E 3.9640 8.5881 119.0932 59.1446 29.6842 179.0444 49 E 3.8917 8.1543 119.3879 59.3281 29.6761 179.1140 50 R 3.8506 8.1135 118.1149 59.4223 30.1656 178.7374 51 N 4.3046 8.3859 116.5056 56.1139 38.4497 177.1018 52 K 3.8491 8.2356 121.0959 59.6265 32.2108 178.8463 53 K 3.9152 7.8324 117.8840 59.5053 31.9904 179.4685 54 R 3.6514 8.0869 118.4442 59.1762 29.9232 179.3287 55 V 3.8132 8.2581 118.2179 66.0160 31.5451 177.4576 56 E 3.9127 8.3424 119.1651 59.4578 29.4634 178.1123 57 N 4.2322 8.2613 116.9767 56.7632 38.9444 176.4252 58 F 4.7278 8.1593 123.1415 60.7769 39.3026 177.0872 59 K 3.6284 8.0525 116.9105 59.8520 31.9839 178.4806 60 K 3.8065 8.0255 118.3274 60.2383 32.0761 178.1716 61 T 4.1677 8.6940 111.8105 62.3033 69.4226 176.1558 62 G 3.8456 8.5528 109.2963 45.1018 0.0000 172.9713 63 K 4.6924 7.9569 121.4052 54.3419 33.9692 174.5127 64 F 4.2392 8.7949 128.5567 56.9999 40.2030 174.0636 65 E 4.5396 7.5470 127.7568 54.4543 31.6913 174.6210 66 Y 4.0816 8.7781 127.6448 60.1091 39.5920 174.5149 67 D 4.3264 8.2184 120.1985 53.7433 40.8803 176.5107 68 V 3.4640 8.2255 127.8788 65.6789 31.8456 177.9121 69 A 3.9848 7.9601 122.1657 54.9939 18.1746 178.3677 70 K 4.2417 7.7540 112.3491 57.1820 32.5765 177.2395 71 I 4.1118 7.3723 120.7060 60.6486 38.0022 176.1368 72 S 4.3524 8.4610 118.8795 58.7241 63.0896 174.0910 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 Y 8.13 4.85 0.00 2.65 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 2 D 8.23 4.26 0.00 2.74 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 3 G 7.89 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 4 T 7.95 4.12 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 1.24 0.00 0.00 5 K 8.00 4.53 0.00 1.86 1.83 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.60 7.81 6 C 8.61 5.07 0.00 2.99 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 3.79 0.00 1.79 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 8 A 7.78 4.35 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 9 A 8.60 4.07 1.27 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 0.00 0.00 10 G 9.15 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 0.00 0.00 0.00 11 N 8.61 4.85 0.00 2.69 2.83 0.00 0.00 6.95 7.38 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 12 C 8.67 5.17 0.00 3.09 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 13 W 7.79 4.10 0.00 3.39 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 14 E 5.90 3.87 0.00 1.32 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 2.01 2.23 0.00 15 P 0.00 3.75 0.00 2.33 2.07 0.00 3.26 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 16 K 8.16 4.13 0.00 1.70 1.80 0.00 1.45 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.36 7.81 17 P 0.00 4.28 0.00 2.11 2.11 0.00 3.72 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 2.08 2.16 0.00 18 G 9.35 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 19 F 8.02 4.94 0.00 3.15 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 20 P 0.00 4.54 0.00 2.52 2.16 0.00 4.20 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 2.27 2.19 0.00 21 E 8.72 4.36 0.00 2.02 2.10 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 2.46 2.47 0.00 22 K 7.86 4.59 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 23 I 8.49 3.90 2.15 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 1.35 0.65 1.07 0.00 0.00 24 A 7.37 4.27 1.27 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 0.00 0.00 25 G 9.99 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 26 S 7.81 4.59 0.00 3.99 4.06 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 27 K 8.29 3.69 0.00 1.41 1.16 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.01 1.23 7.81 28 Y 7.35 4.86 0.00 3.15 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 29 D 8.03 4.52 0.00 2.96 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 30 P 0.00 4.23 0.00 1.67 1.77 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 31 K 8.29 3.85 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.62 7.81 32 H 7.97 4.32 0.00 3.13 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.64 4.61 0.00 2.76 2.57 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 34 P 0.00 4.51 0.00 2.30 2.32 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 35 K 8.26 3.89 0.00 2.05 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.54 7.81 36 E 8.60 4.11 0.00 2.14 1.95 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 2.51 2.49 0.00 37 L 7.97 4.05 0.00 1.60 1.73 0.93 0.87 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 38 N 7.72 4.78 0.00 2.68 2.82 0.00 0.00 6.83 7.22 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 39 K 8.03 3.96 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.75 7.81 40 Q 8.14 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 41 A 7.96 3.98 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 42 D 7.81 4.26 0.00 2.82 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 43 S 8.11 4.08 0.00 3.99 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 44 I 7.74 3.74 2.01 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 1.58 0.72 0.91 0.00 0.00 45 K 8.27 4.12 0.00 1.98 2.06 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 Q 8.37 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 47 M 8.00 4.04 0.00 2.09 2.23 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 2.78 2.59 0.00 48 E 8.59 3.96 0.00 2.12 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 0.00 2.34 2.60 0.00 49 E 8.15 3.89 0.00 2.29 1.93 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 2.30 2.49 0.00 50 R 8.11 3.85 0.00 1.95 1.84 0.00 3.09 0.00 0.00 3.06 7.55 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 N 8.39 4.30 0.00 2.74 2.93 0.00 0.00 6.70 8.30 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 52 K 8.24 3.85 0.00 2.05 2.01 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 53 K 7.83 3.92 0.00 2.02 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 R 8.09 3.65 0.00 1.97 1.62 0.00 3.17 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 55 V 8.26 3.81 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 1.20 0.00 0.00 1.16 0.00 0.00 56 E 8.34 3.91 0.00 2.31 1.94 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 2.31 2.34 0.00 57 N 8.26 4.23 0.00 2.87 2.95 0.00 0.00 6.92 7.22 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 58 F 8.16 4.73 0.00 3.27 3.39 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 59 K 8.05 3.63 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 60 K 8.03 3.81 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 61 T 8.69 4.17 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 1.29 0.00 0.00 62 G 8.55 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 63 K 7.96 4.69 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 F 8.79 4.24 0.00 2.12 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 65 E 7.55 4.54 0.00 1.81 1.59 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 2.11 2.33 0.00 66 Y 8.78 4.08 0.00 3.11 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 67 D 8.22 4.33 0.00 2.78 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 68 V 8.23 3.46 1.97 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 0.84 0.00 0.00 0.75 0.00 0.00 69 A 7.96 3.98 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 70 K 7.75 4.24 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 I 7.37 4.11 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.89 0.00 0.00 72 S 8.46 4.35 0.00 3.81 3.71 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 0.00 0.00 0.00 0.00