NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4381 8.1627 118.3245 55.0746 33.3587 173.8456 2 Q 4.4377 8.3389 122.9494 54.0411 30.5224 173.0396 3 I 4.6561 9.2346 120.1288 59.0063 42.3483 173.3721 4 F 5.4537 9.2646 120.8080 55.6731 42.2019 174.9606 5 V 4.8228 9.0927 122.4724 61.0497 34.5944 173.9613 6 K 4.8609 9.0977 130.8067 55.4549 33.5773 176.4846 7 T 4.7110 8.8256 118.9209 59.7486 70.5957 175.3446 8 L 3.9462 8.7050 123.0522 58.5602 41.8486 177.7012 9 T 4.1079 7.5115 104.5010 61.8864 68.9057 175.5020 10 G 3.8935 8.4064 111.3752 45.0646 0.0000 173.6948 11 K 4.0516 7.7324 122.7678 56.7738 33.2676 175.6074 12 T 5.1951 8.6116 124.4622 62.0179 70.3380 173.6190 13 I 4.6446 8.7908 121.1992 59.5331 40.5522 174.6779 14 T 4.9852 8.3874 113.2046 60.4849 70.6756 173.8883 15 L 4.7928 8.4252 123.0705 52.8579 45.9738 175.1939 16 E 4.6349 8.7248 123.9990 55.7715 30.1281 175.6135 17 V 4.6379 8.9912 119.6704 59.8673 36.3702 174.4568 18 E 4.7280 9.5220 120.5602 53.9202 32.3237 176.0424 19 P 4.1807 0.0000 0.0000 65.6178 31.5325 178.0453 20 S 4.5586 7.8730 109.6834 58.2354 63.7525 173.9701 21 D 4.4180 8.2225 123.7809 54.6804 41.2636 176.4191 22 T 4.6713 8.3395 114.5924 61.1149 71.1255 176.0330 23 I 3.6642 8.4495 122.9083 64.5859 37.2474 178.1147 24 E 3.9294 8.0567 119.7721 59.7116 29.3523 178.7778 25 N 4.3366 7.9741 115.6845 56.3743 38.6270 177.5780 26 V 3.6040 7.7778 119.5456 65.8093 31.5050 178.2175 27 K 4.1995 8.4821 119.4177 58.9025 31.8761 179.1304 28 A 4.0025 7.9038 120.6197 55.1634 18.3197 179.8391 29 K 3.9253 8.1985 116.9658 59.5408 32.0354 179.7201 30 I 3.7080 7.7840 120.1915 64.2684 37.0481 178.0679 31 Q 4.2326 8.2853 122.1169 58.9111 28.6577 178.3532 32 D 4.4490 8.0445 118.5031 56.9951 40.8640 178.4080 33 K 4.1184 7.7936 118.9098 58.8127 32.5050 177.9036 34 E 4.5791 8.4996 115.7520 55.1434 30.5455 177.0102 35 G 3.8760 8.2818 107.1790 45.7949 0.0000 173.2518 36 I 4.1891 7.3626 121.1137 59.0109 38.2431 173.6920 37 P 4.4713 0.0000 0.0000 61.8027 32.1006 175.4095 38 P 4.2478 0.0000 0.0000 65.9168 31.4667 178.1293 39 D 4.3419 8.1863 116.2452 57.3440 40.9084 177.3789 40 Q 4.5237 8.1829 115.4988 55.7513 29.8890 175.2528 41 Q 4.6548 8.2555 120.7252 54.8686 30.7010 174.9301 42 R 4.6824 9.0184 123.9114 54.5024 32.3164 174.9651 43 L 4.9370 8.3506 124.6467 53.8527 43.8263 176.1481 44 I 5.0483 8.7790 123.1523 59.6324 41.6351 174.1121 45 F 5.1666 8.7919 127.8105 56.9007 42.9917 174.3472 46 A 3.4802 9.1752 127.5866 53.1476 15.8191 177.8916 47 G 3.9309 8.5581 105.8081 46.5155 0.0000 174.1351 48 K 4.6025 7.9535 118.3949 54.0205 35.8826 175.2466 49 Q 4.6086 8.5412 123.9839 56.1131 29.5545 175.4791 50 L 4.1870 8.5541 126.9195 54.3335 43.0478 176.1458 51 E 4.4814 9.3244 122.2895 55.3460 31.1578 176.9289 52 D 4.3883 9.1725 124.5851 57.7779 40.9605 178.8794 53 G 3.8961 8.0285 103.4966 45.7502 0.0000 173.5036 54 R 4.4516 8.0319 120.4133 55.1960 31.3521 175.2284 55 T 5.1448 8.1907 109.0095 59.5241 71.4836 175.5515 56 L 3.9799 8.3812 121.5736 57.9194 42.0496 180.0645 57 S 4.0597 8.4733 113.4896 61.4432 62.4948 175.6136 58 D 4.2269 7.6939 118.8003 57.5197 40.5377 177.3917 59 Y 4.5618 7.3319 113.1968 56.9602 37.9402 174.7469 60 N 4.2047 8.2958 117.3836 54.3677 38.0651 174.1098 61 I 3.5896 7.6803 117.0140 60.6402 37.6591 175.7086 62 Q 4.6244 8.1816 123.3448 53.0122 32.0777 174.4098 63 K 3.9671 8.3415 118.3719 58.1046 32.2627 175.4838 64 E 3.7013 9.6236 125.0088 57.1194 27.9062 174.7783 65 S 4.5006 8.0144 115.5815 59.4431 64.1651 173.3056 66 T 5.2116 8.7166 118.6522 62.0163 70.5748 173.7204 67 L 5.1049 9.1873 126.0769 53.4898 45.0748 174.9315 68 H 5.2074 9.3218 119.3969 54.3000 31.0144 173.7090 69 L 4.9468 9.1319 126.0099 53.6785 43.5486 175.0274 70 V 4.5590 8.6295 126.8074 61.1677 34.1167 174.2825 71 L 5.1842 8.3221 126.1778 53.0364 43.8508 175.9888 72 R 4.1696 8.5783 123.6330 56.0205 30.7363 175.6222 73 L 4.7111 8.5697 126.1717 53.0013 43.7942 175.9614 74 R 4.7373 8.1569 122.0537 54.6905 33.1945 176.1734 75 G 3.7535 8.3132 107.5824 46.4478 0.0000 173.4270 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 8.16 4.44 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.34 4.44 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 1.73 2.11 0.00 3 I 9.23 4.66 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.81 0.00 0.00 4 F 9.26 5.45 0.00 3.08 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 5 V 9.09 4.82 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 1.10 0.00 0.00 0.93 0.00 0.00 6 K 9.10 4.86 0.00 1.78 1.49 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 7 T 8.83 4.71 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 L 8.70 3.95 0.00 1.61 1.77 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.51 4.11 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 10 G 8.41 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 11 K 7.73 4.05 0.00 1.83 1.71 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.61 5.20 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 1.19 0.00 0.00 13 I 8.79 4.64 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.97 0.00 0.00 14 T 8.39 4.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 15 L 8.43 4.79 0.00 1.50 1.49 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.63 0.00 1.91 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 2.23 2.36 0.00 17 V 8.99 4.64 2.03 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 0.69 0.00 0.00 0.90 0.00 0.00 18 E 9.52 4.73 0.00 1.85 1.79 0.00 0.00 0.00 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 2.27 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.87 4.56 0.00 3.96 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 21 D 8.22 4.42 0.00 2.86 2.62 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 0.00 22 T 8.34 4.67 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.45 3.66 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.28 0.92 0.00 0.00 24 E 8.06 3.93 0.00 2.08 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 2.32 2.38 0.00 25 N 7.97 4.34 0.00 3.04 2.84 0.00 0.00 6.69 7.01 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 26 V 7.78 3.60 2.18 0.00 0.00 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 0.97 0.00 0.00 27 K 8.48 4.20 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.46 7.81 28 A 7.90 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.93 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 30 I 7.78 3.71 2.13 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 1.41 0.69 0.91 0.00 0.00 31 Q 8.29 4.23 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 8.04 4.45 0.00 2.68 2.71 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 33 K 7.79 4.12 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 8.50 4.58 0.00 2.05 1.96 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 2.26 2.44 0.00 35 G 8.28 3.88 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 0.00 0.00 0.00 36 I 7.36 4.19 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.12 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.19 4.34 0.00 2.66 2.77 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 40 Q 8.18 4.52 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 8.26 4.65 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 42 R 9.02 4.68 0.00 1.81 1.96 0.00 3.11 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.35 4.94 0.00 1.58 1.55 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.78 5.05 2.03 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 1.10 0.67 0.90 0.00 0.00 45 F 8.79 5.17 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.18 3.48 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.56 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 48 K 7.95 4.60 0.00 1.73 1.65 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.51 7.81 49 Q 8.54 4.61 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 50 L 8.55 4.19 0.00 1.44 1.30 0.75 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.32 4.48 0.00 2.05 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 2.34 2.39 0.00 52 D 9.17 4.39 0.00 2.75 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 53 G 8.03 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 0.00 0.00 0.00 54 R 8.03 4.45 0.00 2.20 1.81 0.00 2.96 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 55 T 8.19 5.14 4.47 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 1.20 0.00 0.00 56 L 8.38 3.98 0.00 1.89 1.71 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.47 4.06 0.00 4.04 3.82 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 58 D 7.69 4.23 0.00 2.55 2.28 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 59 Y 7.33 4.56 0.00 2.96 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 60 N 8.30 4.20 0.00 2.84 2.99 0.00 0.00 7.12 7.54 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 61 I 7.68 3.59 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.57 0.00 0.00 62 Q 8.18 4.62 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 63 K 8.34 3.97 0.00 1.69 1.74 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 9.62 3.70 0.00 2.13 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 0.00 2.38 2.26 0.00 65 S 8.01 4.50 0.00 3.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.72 5.21 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 67 L 9.19 5.10 0.00 1.56 1.59 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.32 5.21 0.00 3.10 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.13 4.95 0.00 1.72 1.55 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.63 4.56 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 1.01 0.00 0.00 0.95 0.00 0.00 71 L 8.32 5.18 0.00 1.56 1.56 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.58 4.17 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.57 4.71 0.00 1.64 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.16 4.74 0.00 1.76 1.81 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 75 G 8.31 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 0.00 0.00 0.00