NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3326 8.3044 120.3265 55.4616 32.1512 170.8372 2 K 3.5103 9.8609 130.7943 55.4820 32.5931 173.2729 3 I 4.8215 8.2818 126.3656 59.4442 42.0990 174.7166 4 K 4.6542 8.1902 122.1971 55.2973 34.6456 174.8611 5 L 4.9668 8.1093 115.4318 52.9974 46.5444 179.3019 6 V 4.2019 7.9771 112.7924 60.2045 30.7615 179.4663 7 R 4.5018 7.8728 115.1288 56.0030 31.1698 173.3338 8 S 4.6501 7.6669 114.1012 57.3171 66.7351 175.5299 9 V 4.4357 8.6591 122.2386 63.5846 32.0952 177.1143 10 I 3.8475 8.7404 115.4810 62.2585 38.3824 176.0346 11 G 3.8891 9.0223 108.2843 45.5070 0.0000 173.0614 12 R 4.4579 7.5153 118.4755 53.2189 32.0998 173.4123 13 P 4.4655 0.0000 0.0000 62.3726 31.8536 177.1525 14 G 3.7169 8.5140 106.9565 47.9088 0.0000 175.7888 15 N 4.3055 8.3097 117.9788 56.0585 37.1052 177.0459 16 Q 4.0040 7.6460 120.1915 58.1365 28.9859 177.8291 17 V 3.6900 7.4339 119.2100 65.3192 31.2766 176.4895 18 K 4.6301 7.5335 117.9180 57.4034 33.1682 177.5257 19 T 4.5535 7.6421 114.6513 63.2496 70.7366 176.8807 20 V 3.6319 8.1622 122.2397 65.6014 31.7184 177.6088 21 Q 4.1070 8.0471 117.1937 57.5636 28.8406 176.0323 22 A 4.2861 7.2886 118.6700 53.4584 19.8298 177.6715 23 L 4.4517 7.9151 124.6219 53.0459 40.4466 176.1132 24 G 3.6306 8.4196 113.9372 46.0076 0.0000 171.1734 25 L 4.4328 8.2656 126.7678 53.8661 44.9922 174.5213 26 R 4.4769 8.4827 125.0080 55.3376 32.0919 177.7975 27 K 3.9517 8.5417 121.6793 56.0304 31.3837 174.5787 28 I 4.4668 7.8708 115.6129 62.1858 39.7095 178.1083 29 G 4.0117 8.1992 108.4513 48.0458 0.0000 173.2191 30 D 4.6967 7.6964 118.1983 52.4499 43.4887 175.2630 31 S 4.7756 8.5394 119.6410 56.7611 65.5143 172.6866 32 R 4.6804 7.8930 120.7019 54.3597 33.6552 174.9356 33 E 4.3729 8.4342 119.0895 56.9364 29.8545 175.5557 34 V 4.4526 8.2616 114.1300 60.9231 35.1961 174.1528 35 S 3.8565 8.4226 109.6412 60.5021 62.5750 176.1340 36 D 4.6728 8.3739 109.6922 54.6146 43.0245 177.8502 37 T 4.4953 6.8949 116.5506 60.4150 69.8747 173.3706 38 P 4.2233 0.0000 0.0000 64.9575 31.8258 176.8732 39 A 4.6635 7.3486 120.9039 52.0028 18.1143 178.2156 40 V 4.4342 7.4824 116.5073 63.9412 34.8814 175.6576 41 R 4.0026 8.1585 119.2580 58.9212 30.4498 176.2167 42 G 4.2814 7.5230 104.9220 45.2468 0.0000 172.7418 43 M 4.8808 7.7570 110.8453 55.0912 34.2035 175.3413 44 V 4.4705 7.6830 109.1675 61.2719 36.0599 175.0914 45 K 4.5900 7.8923 118.8180 56.9480 29.6765 175.3768 46 T 4.6803 8.0031 116.3027 64.4494 75.1084 175.3385 47 V 4.5135 7.1589 116.4420 61.2765 31.8738 175.3927 48 K 3.9703 8.1605 123.9789 60.0414 32.6752 175.7189 49 H 4.9708 7.9837 118.5033 54.4649 27.0953 172.1204 50 L 4.2655 7.4612 128.2084 54.6159 46.8579 173.5122 51 L 4.8762 7.6843 120.5308 53.8192 44.1449 173.0168 52 E 4.8247 8.1686 116.5806 55.1501 32.8763 175.0875 53 V 3.7491 8.5189 118.2912 63.8445 31.5564 176.2328 54 Q 4.5111 7.5339 118.2402 55.1500 31.7294 173.2436 55 E 4.0727 8.5056 124.5658 56.7016 29.5556 176.1169 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 4.33 0.00 2.00 2.13 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 2.50 2.60 0.00 2 K 9.86 3.51 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.78 7.81 3 I 8.28 4.82 1.97 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 1.30 1.06 0.91 0.00 0.00 4 K 8.19 4.65 0.00 1.65 1.81 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 L 8.11 4.97 0.00 1.58 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.98 4.20 2.07 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 0.92 0.00 0.00 0.93 0.00 0.00 7 R 7.87 4.50 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 8 S 7.67 4.65 0.00 3.80 3.65 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 9 V 8.66 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 10 I 8.74 3.85 1.87 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 0.52 0.91 0.00 0.00 11 G 9.02 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 12 R 7.52 4.46 0.00 1.71 1.78 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 13 P 0.00 4.47 0.00 2.52 2.00 0.00 3.65 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 2.11 2.09 0.00 14 G 8.51 3.72 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 0.00 0.00 0.00 15 N 8.31 4.31 0.00 2.88 3.09 0.00 0.00 5.93 7.05 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 16 Q 7.65 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 17 V 7.43 3.69 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 1.05 0.00 0.00 0.98 0.00 0.00 18 K 7.53 4.63 0.00 1.94 1.81 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 T 7.64 4.55 4.32 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 1.27 0.00 0.00 20 V 8.16 3.63 2.20 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 0.92 0.00 0.00 0.95 0.00 0.00 21 Q 8.05 4.11 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 A 7.29 4.29 1.33 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 23 L 7.92 4.45 0.00 1.74 1.70 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.42 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.43 0.00 1.56 1.51 0.94 0.97 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 26 R 8.48 4.48 0.00 1.82 1.81 0.00 3.56 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.54 3.95 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 28 I 7.87 4.47 1.87 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 1.34 0.99 0.94 0.00 0.00 29 G 8.20 4.01 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 0.00 30 D 7.70 4.70 0.00 2.72 2.55 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 0.00 0.00 0.00 0.00 31 S 8.54 4.78 0.00 3.82 3.73 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 32 R 7.89 4.68 0.00 1.70 1.76 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 33 E 8.43 4.37 0.00 1.96 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 2.29 2.44 0.00 34 V 8.26 4.45 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 0.72 0.00 0.00 0.93 0.00 0.00 35 S 8.42 3.86 0.00 4.00 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 36 D 8.37 4.67 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 6.89 4.50 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 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 A 7.35 4.66 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 4.43 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 0.94 0.00 0.00 0.99 0.00 0.00 41 R 8.16 4.00 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.52 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 0.00 0.00 0.00 0.00 43 M 7.76 4.88 0.00 1.92 2.03 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 2.47 2.48 0.00 44 V 7.68 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 45 K 7.89 4.59 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 T 8.00 4.68 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 47 V 7.16 4.51 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 0.77 0.00 0.00 0.94 0.00 0.00 48 K 8.16 3.97 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 H 7.98 4.97 0.00 3.11 3.25 0.00 6.02 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.46 4.27 0.00 1.83 1.53 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.68 4.88 0.00 1.66 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.17 4.82 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 2.19 2.30 0.00 53 V 8.52 3.75 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 0.74 0.00 0.00 0.93 0.00 0.00 54 Q 7.53 4.51 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 55 E 8.51 4.07 0.00 1.94 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 2.29 2.32 0.00