NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6053 8.2893 120.5934 55.9029 33.7538 173.9752 2 Q 4.2717 8.0000 121.9421 55.3384 32.4204 169.2260 3 E 5.2198 8.5246 117.9123 55.3098 33.1886 177.6694 4 G 4.3532 8.7757 107.4382 46.0780 0.0000 171.9135 5 K 5.2112 8.5640 117.9044 54.2599 36.9218 176.3660 6 V 3.8627 8.6457 124.2771 63.2994 31.9652 176.5164 7 K 4.2163 9.2194 131.0806 58.7850 32.5361 176.5984 8 W 5.3390 7.7367 114.7761 55.7631 31.5470 172.9070 9 F 4.9291 8.8953 122.9689 57.2153 42.0385 172.9560 10 N 4.6084 8.7987 126.5588 52.3752 38.8515 175.0950 11 N 4.5729 8.9763 126.2600 56.7402 39.6024 175.9957 12 E 4.1536 8.3160 116.6454 59.3903 29.6718 178.4235 13 K 4.0514 8.3372 117.0478 57.2317 32.4665 177.6879 14 G 3.9711 8.9234 107.2219 45.9288 0.0000 172.1750 15 Y 4.7577 6.1367 115.4571 55.7319 41.6155 173.5855 16 G 3.1411 7.7005 105.5683 46.0536 0.0000 172.1365 17 F 4.9413 7.6971 119.2366 55.6567 43.8313 174.0336 18 I 4.7175 8.7435 123.6563 59.9089 38.8794 174.8332 19 E 4.9559 9.2670 125.6964 55.2284 32.1844 175.1530 20 V 4.7905 8.0893 120.7709 60.8501 34.6238 174.5587 21 E 4.1844 8.9688 128.0340 57.8756 29.5766 177.4210 22 G 3.9485 9.4322 111.9745 45.5280 0.0000 172.2766 23 G 4.2353 7.8160 107.1155 43.7779 0.0000 172.4732 24 S 4.4793 8.4146 114.5682 57.7829 63.6074 174.3086 25 D 4.8200 8.5347 122.6428 54.8446 41.7637 175.9334 26 V 4.4967 8.7655 121.4930 60.7177 34.4102 174.6865 27 F 3.6800 8.9667 130.6280 58.0589 40.7063 173.9041 28 V 4.2879 7.3463 124.8081 60.0008 34.2181 174.0013 29 H 5.0908 8.2738 124.3341 53.8889 32.1804 175.3254 30 F 4.2640 8.5811 118.7549 59.9984 37.7515 177.5993 31 T 3.7297 6.8639 109.6930 63.4789 68.7941 174.7421 32 A 4.1981 8.0678 125.1145 53.4427 19.1414 177.2053 33 I 4.3066 7.3637 117.8861 61.2031 37.5742 176.0652 34 Q 4.2773 8.6070 125.1328 55.3252 29.9171 174.9005 35 G 3.7662 8.6090 105.1006 44.8535 0.0000 172.7730 36 E 4.3472 8.2039 117.7660 55.4910 30.9013 176.1576 37 G 3.9250 8.5869 106.3187 44.2701 0.0000 173.1301 38 F 3.9903 8.4727 120.7197 58.1834 39.5849 174.8564 39 K 4.1470 7.6320 127.5286 56.3749 31.2318 175.8202 40 T 4.3644 7.6855 116.5595 61.1591 70.1809 172.3544 41 L 4.5634 6.9095 123.0978 52.9404 45.8446 175.7355 42 E 4.7633 8.2222 119.9187 54.0910 31.9066 175.6001 43 E 4.2809 8.7087 121.0928 58.5571 29.8844 177.9730 44 G 3.9858 9.2336 112.0920 45.0306 0.0000 173.5948 45 Q 4.1016 8.0241 122.0712 56.2952 30.1375 175.4443 46 A 4.7044 8.6383 128.1961 52.1443 19.8650 176.5470 47 V 5.1101 9.0094 114.4804 59.8007 36.7783 174.4408 48 S 5.4449 8.7098 117.3217 57.0728 66.1522 172.7974 49 F 5.3235 8.1361 114.7331 57.4097 41.4769 172.0313 50 E 4.8891 9.1638 120.3918 54.5564 32.6018 174.2021 51 I 5.0857 8.2713 124.1409 59.8433 39.1751 175.4644 52 V 4.6142 8.8981 119.0968 59.6427 36.2331 174.4764 53 Q 4.8523 8.7625 121.2378 54.6036 30.6211 175.6328 54 G 4.1318 8.4223 114.6747 43.4913 0.0000 172.9929 55 N 4.2772 8.6206 116.4833 56.2036 38.9156 176.0196 56 R 4.1621 7.6246 114.5135 55.5551 30.9919 174.7698 57 G 3.7602 7.7471 104.5700 42.9811 0.0000 171.1587 58 P 5.1283 0.0000 0.0000 63.1930 32.1064 175.6328 59 Q 4.8665 9.1336 119.1769 55.0628 32.4690 173.3630 60 A 4.9318 8.8228 122.1339 51.8295 19.5080 176.7877 61 A 4.5843 8.8185 120.8274 49.9979 23.2891 175.3203 62 N 4.0222 8.4368 114.6029 54.5849 37.3899 174.8307 63 V 4.3239 7.9197 118.8115 62.6111 33.0753 175.2313 64 V 4.6587 8.6756 128.9948 60.7793 33.8294 174.8278 65 K 4.5088 8.7346 127.7078 56.4560 32.7568 176.8463 66 E 4.3486 8.9818 124.1621 56.4172 29.3715 175.9477 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 M 8.29 4.61 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 2 Q 8.00 4.27 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.57 0.00 0.00 0.00 0.00 0.00 1.24 1.86 0.00 3 E 8.52 5.22 0.00 1.84 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 2.19 2.23 0.00 4 G 8.78 4.35 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 0.00 5 K 8.56 5.21 0.00 1.72 1.67 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 6 V 8.65 3.86 2.23 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 0.89 0.00 0.00 0.88 0.00 0.00 7 K 9.22 4.22 0.00 1.86 1.99 0.00 1.98 0.00 0.00 1.94 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.52 7.81 8 W 7.74 5.34 0.00 3.46 3.14 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 9 F 8.90 4.93 0.00 2.96 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 10 N 8.80 4.61 0.00 2.83 2.29 0.00 0.00 6.40 6.68 0.00 0.00 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 8.98 4.57 0.00 2.91 2.93 0.00 0.00 7.26 7.65 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 12 E 8.32 4.15 0.00 2.14 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 2.32 2.28 0.00 13 K 8.34 4.05 0.00 1.20 1.73 0.00 1.49 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.40 7.81 14 G 8.92 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 15 Y 6.14 4.76 0.00 2.61 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 G 7.70 3.14 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 17 F 7.70 4.94 0.00 2.54 2.76 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 0.00 0.00 0.00 18 I 8.74 4.72 1.38 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.58 0.00 0.00 19 E 9.27 4.96 0.00 2.04 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 0.00 2.48 2.29 0.00 20 V 8.09 4.79 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 1.10 0.00 0.00 1.16 0.00 0.00 21 E 8.97 4.18 0.00 2.03 1.92 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 2.35 2.28 0.00 22 G 9.43 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 23 G 7.82 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 0.00 0.00 0.00 0.00 24 S 8.41 4.48 0.00 3.93 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 25 D 8.53 4.82 0.00 2.60 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 26 V 8.77 4.50 1.77 0.00 0.00 0.00 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 1.10 0.00 0.00 27 F 8.97 3.68 0.00 2.85 2.73 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 0.00 0.00 0.00 28 V 7.35 4.29 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.78 0.00 0.00 29 H 8.27 5.09 0.00 3.13 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.58 4.26 0.00 3.26 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.86 3.73 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 0.58 0.00 0.00 32 A 8.07 4.20 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 33 I 7.36 4.31 1.95 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 1.18 0.53 0.85 0.00 0.00 34 Q 8.61 4.28 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 35 G 8.61 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.35 0.00 1.97 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 2.26 2.24 0.00 37 G 8.59 3.93 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 0.00 0.00 0.00 38 F 8.47 3.99 0.00 2.95 2.94 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 0.00 0.00 0.00 39 K 7.63 4.15 0.00 1.57 1.81 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.42 7.81 40 T 7.69 4.36 4.59 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 1.41 0.00 0.00 41 L 6.91 4.56 0.00 0.62 1.16 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.22 4.76 0.00 1.96 1.84 0.00 0.00 0.00 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 2.24 0.00 43 E 8.71 4.28 0.00 2.00 2.01 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 2.39 2.50 0.00 44 G 9.23 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 0.00 0.00 0.00 45 Q 8.02 4.10 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 46 A 8.64 4.70 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 47 V 9.01 5.11 2.15 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 0.73 0.00 0.00 1.01 0.00 0.00 48 S 8.71 5.44 0.00 3.81 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 49 F 8.14 5.32 0.00 3.17 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 50 E 9.16 4.89 0.00 2.02 2.02 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 2.23 2.25 0.00 51 I 8.27 5.09 1.95 0.00 0.00 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 1.66 0.97 1.04 0.00 0.00 52 V 8.90 4.61 2.09 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 0.79 0.00 0.00 1.01 0.00 0.00 53 Q 8.76 4.85 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 54 G 8.42 4.13 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 0.00 0.00 0.00 55 N 8.62 4.28 0.00 2.64 2.82 0.00 0.00 6.84 7.65 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 56 R 7.62 4.16 0.00 1.67 1.76 0.00 3.30 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 57 G 7.75 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 5.13 0.00 2.15 2.11 0.00 3.79 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 2.04 2.00 0.00 59 Q 9.13 4.87 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 60 A 8.82 4.93 1.06 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 0.00 0.00 61 A 8.82 4.58 1.21 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 62 N 8.44 4.02 0.00 2.92 2.83 0.00 0.00 6.59 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 63 V 7.92 4.32 2.05 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 0.86 0.00 0.00 0.91 0.00 0.00 64 V 8.68 4.66 2.09 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 1.00 0.00 0.00 0.99 0.00 0.00 65 K 8.73 4.51 0.00 1.67 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 E 8.98 4.35 0.00 1.81 1.83 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 2.45 2.39 0.00