NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4555 8.3044 118.1943 54.8055 32.5999 175.1662 2 V 3.4474 8.4416 120.2706 64.7233 31.7658 174.5602 3 I 4.2994 7.9715 121.5483 59.4671 39.9930 174.2107 4 A 4.6428 8.4188 128.4451 50.5176 21.2923 177.7339 5 T 3.8839 8.4450 115.3941 67.2087 68.1748 176.5255 6 D 4.9054 7.9062 119.2814 55.7825 41.0548 177.2921 7 D 4.6193 7.8110 118.2061 55.1863 41.5561 176.5587 8 L 4.7492 7.8630 119.5767 55.6768 44.3665 176.0061 9 E 5.3030 7.7954 114.6261 55.5952 33.1479 174.1735 10 T 4.8174 8.7277 109.3228 59.8298 72.7592 173.3944 11 T 4.0858 8.6245 119.6782 64.1941 69.4023 173.4976 12 C 4.2396 8.6894 127.3922 58.9921 31.9115 172.8747 13 P 4.3462 0.0000 0.0000 65.7228 31.4083 177.5140 14 N 4.4838 8.2554 115.8268 55.3265 38.7037 175.1868 15 C 4.6689 7.8319 109.7906 56.9033 30.5156 173.9691 16 N 4.2384 9.3411 115.3183 54.3286 36.4519 174.6712 17 G 4.1040 8.3361 105.0244 45.6144 0.0000 175.7683 18 S 4.1025 8.2682 115.0935 59.6539 63.2780 175.5159 19 G 3.9100 8.4222 107.5842 45.8281 0.0000 172.6195 20 R 4.9269 7.6430 116.0543 54.5299 34.5444 175.2928 21 E 4.6886 8.8607 118.6876 59.3003 30.1103 175.0586 22 E 3.6193 6.9135 117.3602 54.0994 30.3700 175.8355 23 P 4.6522 0.0000 0.0000 62.6271 31.8619 175.0152 24 E 4.5625 7.7152 119.6595 54.2917 31.7638 172.7490 25 P 4.7191 0.0000 0.0000 61.6927 32.6516 175.2916 26 C 3.9948 8.6225 120.8997 59.4801 31.3735 172.4864 27 P 4.4709 0.0000 0.0000 64.0830 31.3611 177.6124 28 K 4.1213 8.0953 119.6598 58.5905 32.6168 176.9398 29 C 4.4968 7.9513 110.6917 56.9071 30.2740 173.2606 30 L 3.6942 8.7949 121.1029 56.3423 40.4577 175.3063 31 G 4.5013 8.4969 103.8844 45.0195 0.0000 175.3612 32 K 3.9952 7.9035 118.7603 57.2852 32.6557 178.3828 33 G 3.9605 9.2442 106.1917 45.5447 0.0000 172.6960 34 V 5.1477 7.3001 110.5513 59.8209 36.0525 173.6903 35 I 4.7109 8.6330 115.4182 59.0003 40.8900 174.8330 36 L 4.8419 8.4862 123.3443 54.9640 42.8797 176.8565 37 T 4.4147 8.2340 112.3296 60.4443 71.2529 175.5679 38 A 4.0185 8.5351 122.2708 55.2295 18.3415 179.5355 39 Q 4.0022 8.0635 117.9470 59.2334 29.2512 178.3663 40 G 3.6274 8.0782 106.8544 47.8626 0.0000 175.6702 41 S 4.1595 8.2458 115.5311 61.3283 62.2401 176.4384 42 T 3.9262 7.9160 118.5027 66.5633 68.1289 176.7747 43 L 4.0957 7.8942 120.6329 57.6779 41.7232 179.1953 44 L 3.9757 8.1367 120.3896 58.4993 42.0357 178.5061 45 H 4.1408 8.4133 118.1826 59.1092 29.9129 177.0463 46 F 4.2553 8.2178 122.3674 61.3339 39.1449 177.0957 47 I 3.3950 8.0705 119.4904 64.3145 36.4002 178.2891 48 K 3.7926 8.0307 119.1926 59.5180 31.7020 179.0514 49 K 4.0220 7.6089 118.1853 59.7220 32.2166 177.7087 50 H 4.5031 7.4335 112.1643 56.1112 29.2853 175.6746 51 I 4.2229 7.3457 120.2585 61.1717 39.2407 176.2886 52 H 4.1472 9.1741 115.9085 56.0177 27.8862 174.4205 53 E 4.4410 7.8620 128.7456 58.4131 31.1130 176.0214 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 4.46 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 V 8.44 3.45 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.97 4.30 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 4 A 8.42 4.64 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 5 T 8.45 3.88 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 6 D 7.91 4.91 0.00 2.63 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 7 D 7.81 4.62 0.00 2.83 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 8 L 7.86 4.75 0.00 1.76 1.68 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.80 5.30 0.00 2.12 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 2.44 2.31 0.00 10 T 8.73 4.82 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 1.21 0.00 0.00 11 T 8.62 4.09 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 1.25 0.00 0.00 12 C 8.69 4.24 0.00 3.05 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 13 P 0.00 4.35 0.00 2.22 2.17 0.00 3.82 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 1.99 1.99 0.00 14 N 8.26 4.48 0.00 2.72 2.92 0.00 0.00 6.68 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 15 C 7.83 4.67 0.00 3.05 3.10 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 0.00 0.00 0.00 16 N 9.34 4.24 0.00 2.90 2.93 0.00 0.00 7.10 6.98 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 17 G 8.34 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.27 4.10 0.00 3.98 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 19 G 8.42 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.64 4.93 0.00 1.75 1.78 0.00 3.37 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 1.69 1.52 0.00 21 E 8.86 4.69 0.00 1.89 1.81 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 2.22 2.28 0.00 22 E 6.91 3.62 0.00 2.02 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 0.00 2.31 2.30 0.00 23 P 0.00 4.65 0.00 2.17 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 24 E 7.72 4.56 0.00 2.00 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 2.31 2.21 0.00 25 P 0.00 4.72 0.00 2.17 2.04 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 26 C 8.62 3.99 0.00 2.98 2.89 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 27 P 0.00 4.47 0.00 2.08 2.09 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 2.02 2.07 0.00 28 K 8.10 4.12 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 C 7.95 4.50 0.00 3.29 3.17 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 0.00 0.00 0.00 0.00 30 L 8.79 3.69 0.00 1.78 1.75 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.50 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.00 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.39 7.81 33 G 9.24 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 34 V 7.30 5.15 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 0.74 0.00 0.00 0.98 0.00 0.00 35 I 8.63 4.71 1.88 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 1.37 0.94 0.91 0.00 0.00 36 L 8.49 4.84 0.00 1.57 1.65 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.23 4.41 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 A 8.54 4.02 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 39 Q 8.06 4.00 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.08 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 41 S 8.25 4.16 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 42 T 7.92 3.93 4.42 0.00 0.00 0.00 0.00 0.00 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 43 L 7.89 4.10 0.00 1.78 1.78 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.14 3.98 0.00 1.91 1.71 0.94 0.83 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 45 H 8.41 4.14 0.00 3.39 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.22 4.26 0.00 3.09 3.33 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 47 I 8.07 3.40 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.87 0.00 0.00 48 K 8.03 3.79 0.00 1.88 1.83 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 49 K 7.61 4.02 0.00 1.72 1.89 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.38 7.81 50 H 7.43 4.50 0.00 2.79 3.12 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.35 4.22 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 0.87 0.00 0.00 52 H 9.17 4.15 0.00 3.32 3.71 0.00 5.59 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.86 4.44 0.00 2.10 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 2.15 2.15 0.00