NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4901 8.3049 120.5944 55.5000 33.5062 174.3371 2 Q 4.4225 8.6007 124.2814 53.5274 32.7483 172.9603 3 R 5.1437 8.2730 119.0285 55.0564 34.4199 174.7771 4 G 4.3332 8.8452 107.6494 45.9566 0.0000 171.6796 5 K 5.2318 8.7104 118.1765 54.1043 36.1957 176.5682 6 V 3.8223 8.6862 124.7641 63.2970 31.9349 176.5333 7 K 4.4274 9.3552 130.1999 57.9285 32.9665 176.7099 8 W 5.3779 7.7816 114.4742 55.6310 31.4624 173.5744 9 F 4.8424 8.8852 123.7077 57.2153 42.0492 173.1786 10 N 4.6360 8.8212 126.1954 52.2857 38.2384 174.9143 11 N 4.5750 8.7607 125.6768 56.6161 39.5621 176.0615 12 E 4.1382 8.2836 116.8566 59.2194 29.6774 178.2194 13 K 4.0584 8.3511 117.0512 56.9370 32.6118 177.4503 14 G 3.8611 9.4442 107.5979 45.7462 0.0000 172.1279 15 Y 4.7225 6.0456 115.4070 55.8042 41.6278 173.3782 16 G 3.0787 7.6339 104.9518 46.0536 0.0000 172.1772 17 F 4.8610 7.6677 119.0991 55.7108 43.8844 173.8933 18 I 4.8181 8.6258 123.5837 59.5008 39.2080 174.6212 19 E 5.0347 9.2123 125.8779 55.5893 31.4742 175.7113 20 V 4.6954 8.1998 121.2787 59.5164 35.1207 174.4082 21 E 3.9579 8.9492 125.2845 57.7272 29.7772 176.6270 22 G 3.9345 10.2025 114.0163 45.6215 0.0000 172.3446 23 G 4.2382 7.6047 106.8353 43.6951 0.0000 173.4113 24 S 4.3747 8.3868 115.3273 58.0395 63.4281 174.3993 25 D 4.8622 8.5775 122.3909 55.0116 41.7279 176.0377 26 V 4.5367 8.7930 121.4136 60.7319 34.4169 174.7185 27 F 3.6210 8.9501 130.5215 58.0807 40.7646 173.9298 28 V 4.2589 7.2643 124.4974 60.0455 34.1985 174.0541 29 H 4.8740 8.2716 124.7780 54.1037 31.7779 175.7206 30 F 4.2766 8.5960 118.8461 59.9689 37.7769 177.5129 31 T 3.7627 6.8867 109.6009 63.3644 68.8329 174.9654 32 A 4.1337 8.1090 125.3823 53.7060 18.9152 177.1449 33 I 4.3223 7.5014 117.6885 60.8716 37.8108 175.7817 34 Q 4.3275 8.7492 124.9722 55.4945 29.9151 174.4088 35 G 3.9649 8.5974 106.1281 43.6940 0.0000 174.0630 36 E 4.0383 8.7118 117.3351 58.8143 29.8543 177.7976 37 G 3.8621 7.7433 107.1491 44.1053 0.0000 172.4684 38 F 3.9017 8.7068 121.0494 58.6174 39.4177 175.5025 39 K 4.1892 7.5982 127.0004 55.9529 30.7415 175.8357 40 T 4.5094 7.6687 116.4314 60.6109 70.5503 172.7631 41 L 4.5192 6.8629 123.2536 52.9962 45.8790 175.7041 42 E 4.7110 8.2825 120.9151 54.0780 31.5558 175.5860 43 E 4.4129 8.5940 120.1704 58.1344 29.9788 177.2825 44 G 3.9968 9.2367 110.9595 45.1757 0.0000 173.6712 45 Q 4.0999 7.9579 122.1797 56.1844 30.1041 175.3563 46 E 4.7652 8.8109 126.0005 56.5363 31.0317 176.1343 47 V 4.8907 9.0201 116.3890 59.9819 36.5418 174.5457 48 S 5.4294 8.7745 119.8106 57.3612 65.7749 173.0907 49 F 5.2998 8.0820 115.3803 57.4228 41.4482 172.4401 50 E 4.8580 8.9853 119.0913 54.7975 32.6658 175.0080 51 I 4.9432 8.2215 122.2205 59.8819 39.2113 175.2028 52 V 4.4142 8.8098 127.4437 61.1296 33.6491 175.0771 53 Q 4.5840 8.8263 126.7329 55.9528 30.0804 175.1038 54 G 3.9673 7.9629 106.2628 44.9886 0.0000 174.0735 55 N 4.1334 8.9800 116.4041 55.4765 36.8340 175.7160 56 R 4.1706 7.7687 115.6217 55.5082 30.2240 174.9491 57 G 3.8491 8.0461 103.6926 43.7299 0.0000 171.1572 58 P 5.0042 0.0000 0.0000 63.0230 32.1588 175.6109 59 Q 4.8606 8.8791 118.5860 54.8039 32.5885 173.4712 60 A 4.9157 8.8442 122.1483 52.0353 19.1963 176.9339 61 A 4.6053 8.9759 121.4957 50.1824 23.4522 175.5982 62 N 4.1171 8.4697 113.9778 54.3197 36.3120 174.9334 63 V 4.1227 8.0651 118.6575 62.6326 33.2190 175.3768 64 V 4.6514 8.8302 128.1453 60.9477 34.4297 174.4854 65 K 4.8065 8.7072 127.7787 56.0513 32.4693 176.6179 66 E 4.4063 8.4865 123.1278 56.8688 29.2060 175.3895 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 8.30 4.49 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 2 Q 8.60 4.42 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.59 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 3 R 8.27 5.14 0.00 1.64 1.81 0.00 3.65 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 4 G 8.85 4.33 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 0.00 5 K 8.71 5.23 0.00 1.72 1.69 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 6 V 8.69 3.82 2.24 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 0.79 0.00 0.00 0.82 0.00 0.00 7 K 9.36 4.43 0.00 1.89 2.05 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.35 7.81 8 W 7.78 5.38 0.00 3.49 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 9 F 8.89 4.84 0.00 2.94 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 8.82 4.64 0.00 2.84 2.39 0.00 0.00 6.41 7.57 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 11 N 8.76 4.58 0.00 2.89 2.92 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 8.28 4.14 0.00 2.10 1.98 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 2.31 2.39 0.00 13 K 8.35 4.06 0.00 1.15 1.53 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 14 G 9.44 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 15 Y 6.05 4.72 0.00 2.55 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 7.63 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 0.00 0.00 0.00 17 F 7.67 4.86 0.00 2.47 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 18 I 8.63 4.82 1.44 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.48 0.70 0.00 0.00 19 E 9.21 5.03 0.00 2.07 2.14 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 2.57 2.30 0.00 20 V 8.20 4.70 2.34 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 1.01 0.00 0.00 1.12 0.00 0.00 21 E 8.95 3.96 0.00 1.98 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 2.33 0.00 22 G 10.20 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 23 G 7.60 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 8.39 4.37 0.00 3.94 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 25 D 8.58 4.86 0.00 2.63 2.82 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 0.00 0.00 0.00 0.00 26 V 8.79 4.54 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.18 0.00 0.00 27 F 8.95 3.62 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 4.26 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 0.36 0.00 0.00 0.74 0.00 0.00 29 H 8.27 4.87 0.00 3.16 3.06 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 8.60 4.28 0.00 3.35 3.48 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 31 T 6.89 3.76 4.05 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 0.00 0.00 0.00 0.61 0.00 0.00 32 A 8.11 4.13 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 33 I 7.50 4.32 1.94 0.00 0.00 0.69 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 0.52 0.84 0.00 0.00 34 Q 8.75 4.33 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 35 G 8.60 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 36 E 8.71 4.04 0.00 2.08 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 2.28 2.37 0.00 37 G 7.74 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 38 F 8.71 3.90 0.00 2.94 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 39 K 7.60 4.19 0.00 1.55 1.94 0.00 1.87 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.36 7.81 40 T 7.67 4.51 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 41 L 6.86 4.52 0.00 0.62 1.15 0.56 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.28 4.71 0.00 1.97 1.85 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 2.31 2.22 0.00 43 E 8.59 4.41 0.00 2.16 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 2.34 2.33 0.00 44 G 9.24 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 0.00 0.00 0.00 0.00 45 Q 7.96 4.10 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 46 E 8.81 4.77 0.00 1.98 1.87 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 2.42 2.35 0.00 47 V 9.02 4.89 2.14 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 0.67 0.00 0.00 0.97 0.00 0.00 48 S 8.77 5.43 0.00 3.78 3.75 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 0.00 0.00 0.00 0.00 49 F 8.08 5.30 0.00 3.15 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 50 E 8.99 4.86 0.00 1.94 1.87 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 2.18 2.23 0.00 51 I 8.22 4.94 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.99 0.00 0.00 52 V 8.81 4.41 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 0.98 0.00 0.00 0.95 0.00 0.00 53 Q 8.83 4.58 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 54 G 7.96 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 55 N 8.98 4.13 0.00 2.81 2.97 0.00 0.00 5.81 7.66 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 56 R 7.77 4.17 0.00 1.70 1.85 0.00 3.10 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 57 G 8.05 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 58 P 0.00 5.00 0.00 2.15 2.27 0.00 3.78 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 2.05 2.01 0.00 59 Q 8.88 4.86 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 60 A 8.84 4.92 1.01 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 0.00 0.00 0.00 61 A 8.98 4.61 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 8.47 4.12 0.00 2.93 2.88 0.00 0.00 6.57 7.68 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 63 V 8.07 4.12 2.12 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 0.80 0.00 0.00 0.86 0.00 0.00 64 V 8.83 4.65 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 1.11 0.00 0.00 0.94 0.00 0.00 65 K 8.71 4.81 0.00 1.66 1.86 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.37 7.81 66 E 8.49 4.41 0.00 1.87 1.85 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 2.36 2.23 0.00