NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4643 8.1633 118.3249 55.1979 33.5145 173.8963 2 Q 4.7106 8.2580 119.2328 53.3070 30.6256 173.3134 3 I 4.3877 8.9870 116.9007 58.9191 42.2331 173.5960 4 F 5.3778 8.6101 120.7355 55.6597 42.4183 174.9237 5 V 4.8061 9.1121 122.5298 61.1176 33.9882 174.0128 6 K 4.9285 9.1222 131.0220 55.5875 33.7452 176.4491 7 T 4.7304 8.6546 118.4139 60.4634 70.8707 174.2109 8 L 4.6095 8.2886 118.7206 54.9885 41.6010 177.3879 9 T 4.4678 8.1520 106.4112 61.2194 69.1899 174.3659 10 G 3.8812 8.6272 108.8307 45.6164 0.0000 172.9496 11 K 4.7037 7.9057 119.6160 54.4349 35.3989 174.6970 12 T 5.0885 8.4890 122.0668 61.8737 71.5682 173.1756 13 I 4.6375 8.9140 127.4234 59.8308 39.5702 174.6372 14 T 5.1814 8.5987 116.2561 59.9707 71.1173 173.4411 15 L 4.8309 8.6886 123.7641 52.8932 45.8184 174.8909 16 E 4.9151 8.6511 122.8282 55.0900 30.6532 175.2122 17 V 4.7571 8.7421 119.6926 59.9876 36.4882 174.1910 18 E 4.7563 9.0559 119.6230 53.9209 33.0504 176.0140 19 P 4.1680 0.0000 0.0000 65.6409 31.5298 178.4573 20 S 4.3819 7.8920 110.2857 59.2298 63.7339 174.2076 21 D 4.4112 8.0524 123.5123 54.6129 41.2586 176.3195 22 T 4.7438 8.2241 113.9661 61.0699 71.3581 175.9184 23 I 3.7156 8.3118 122.6831 64.5767 36.9858 178.5556 24 E 3.9742 8.1101 119.0249 59.5921 29.2962 179.1659 25 N 4.2936 8.0360 116.3046 56.3249 38.6300 177.6389 26 V 3.5512 7.8319 119.4929 65.9653 31.5596 178.1537 27 K 4.3795 8.7024 119.7613 58.9034 31.8439 179.0678 28 A 3.9875 8.2481 121.1300 55.1943 18.1981 179.8685 29 K 3.9386 8.1052 116.9636 59.6345 32.1098 179.7027 30 I 3.7393 7.9204 120.1953 64.2634 37.0891 178.2041 31 Q 4.1859 8.3277 122.1496 58.8169 28.6584 178.0939 32 D 4.4689 8.0884 118.8848 57.1025 40.8885 178.3468 33 K 4.2478 7.7588 117.3853 57.9629 32.6158 178.0462 34 E 4.5970 8.7858 116.7186 55.2695 31.1233 177.3109 35 G 3.8674 8.2103 106.5136 45.3262 0.0000 173.0661 36 I 4.1926 7.3728 121.5756 58.8309 37.9890 173.7585 37 P 4.7909 0.0000 0.0000 61.3951 32.0957 175.5757 38 P 4.2518 0.0000 0.0000 65.7594 31.3934 178.3193 39 D 4.4835 8.0738 115.9826 55.4182 39.6435 176.7025 40 Q 4.3836 8.1931 118.3380 56.0175 29.5448 174.5985 41 Q 4.9096 7.8520 118.5966 54.4150 31.0847 174.8778 42 R 4.8554 8.8868 121.5802 54.3490 34.0404 174.4025 43 L 5.2928 8.5023 122.1384 53.0023 45.2037 175.2394 44 I 5.0760 8.7877 123.1584 59.5343 40.7163 174.4100 45 F 5.0095 8.8482 127.6314 56.9058 42.8946 174.3926 46 A 3.4893 8.7772 128.0747 53.1521 15.8396 177.8582 47 G 3.9078 8.0970 106.4112 46.2275 0.0000 173.7812 48 K 4.5737 7.5910 119.6782 54.1969 34.2711 175.1509 49 Q 4.6278 8.4772 124.4957 56.0313 29.6419 175.2740 50 L 4.1371 8.6906 127.2449 54.2635 43.0720 176.0699 51 E 4.5472 9.2718 122.7773 55.0874 31.3169 176.8829 52 D 4.3626 9.1508 124.2691 57.6835 40.9898 178.7039 53 G 3.9145 7.9846 103.7799 46.0630 0.0000 173.7445 54 R 4.3761 7.8853 119.8950 55.6051 31.1442 175.7936 55 T 4.9298 8.2428 109.9408 60.0889 71.0497 175.8956 56 L 4.1602 8.6841 122.9745 58.1254 41.5138 180.0804 57 S 4.1261 8.1871 114.0563 61.6660 62.5323 176.2049 58 D 4.2711 7.7167 121.4221 56.7791 40.5548 177.4719 59 Y 4.5670 7.0585 114.1565 56.7493 38.3243 175.1909 60 N 4.2420 8.0265 116.1263 54.2206 36.7524 174.2630 61 I 3.5331 7.5724 119.7387 60.7621 37.7267 175.5161 62 Q 4.5863 8.5892 123.7283 53.7388 31.5434 173.9622 63 R 3.9247 8.5017 117.2002 58.5550 30.0473 176.1864 64 E 3.6752 9.2073 123.2552 57.1108 27.7788 174.7929 65 S 4.5477 7.8605 115.4258 59.1054 64.2745 173.3304 66 T 5.1033 8.7345 118.7367 62.1267 70.4924 174.0298 67 L 4.9628 9.0848 126.9912 53.8338 44.7163 175.1165 68 H 5.3627 9.0737 117.1214 54.0513 32.1541 172.6197 69 L 4.9976 8.7629 125.4908 53.5571 43.4537 175.6364 70 V 4.5021 8.7746 126.2687 60.9886 34.4127 174.6502 71 L 4.7296 8.5437 127.3043 54.0371 42.5419 176.7313 72 R 4.0768 8.6588 123.2138 56.7939 31.0584 175.8466 73 L 4.6331 8.2671 123.5392 53.2474 44.1943 175.8434 74 R 4.6092 8.4885 125.8257 54.9114 33.0288 174.0406 75 G 4.2397 8.1952 112.6381 43.8994 0.0000 172.6140 76 G 3.7510 8.4494 107.9744 46.3628 0.0000 172.9696 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 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 2 Q 8.26 4.71 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 3 I 8.99 4.39 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.73 0.00 0.00 4 F 8.61 5.38 0.00 3.09 2.95 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 5 V 9.11 4.81 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 1.03 0.00 0.00 0.92 0.00 0.00 6 K 9.12 4.93 0.00 1.83 1.62 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.39 7.81 7 T 8.65 4.73 4.26 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 1.23 0.00 0.00 8 L 8.29 4.61 0.00 1.66 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.15 4.47 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 1.22 0.00 0.00 10 G 8.63 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 11 K 7.91 4.70 0.00 1.81 1.63 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 T 8.49 5.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 13 I 8.91 4.64 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.93 0.00 0.00 14 T 8.60 5.18 4.48 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 1.47 0.00 0.00 15 L 8.69 4.83 0.00 1.48 1.50 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.92 0.00 1.92 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 2.19 2.35 0.00 17 V 8.74 4.76 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.06 4.76 0.00 1.82 1.76 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 2.18 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.89 4.38 0.00 3.96 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 21 D 8.05 4.41 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.74 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 1.21 0.00 0.00 23 I 8.31 3.72 2.15 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 1.88 1.06 0.90 0.00 0.00 24 E 8.11 3.97 0.00 2.05 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 2.34 2.45 0.00 25 N 8.04 4.29 0.00 3.05 2.85 0.00 0.00 6.69 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 26 V 7.83 3.55 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 8.70 4.38 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.49 7.81 28 A 8.25 3.99 1.36 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 0.00 0.00 0.00 29 K 8.11 3.94 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.92 3.74 2.14 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 1.40 0.67 0.91 0.00 0.00 31 Q 8.33 4.19 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.09 4.47 0.00 2.86 2.72 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 33 K 7.76 4.25 0.00 1.70 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.63 7.81 34 E 8.79 4.60 0.00 1.93 1.97 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 2.35 2.43 0.00 35 G 8.21 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 0.00 0.00 0.00 36 I 7.37 4.19 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 1.47 1.44 0.91 0.00 0.00 37 P 0.00 4.79 0.00 2.39 2.18 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.25 0.00 2.20 2.15 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.07 4.48 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.19 4.38 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.85 4.91 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 42 R 8.89 4.86 0.00 1.79 1.77 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.50 5.29 0.00 1.52 1.50 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.79 5.08 1.92 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 1.12 1.06 0.90 0.00 0.00 45 F 8.85 5.01 0.00 2.98 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 46 A 8.78 3.49 0.93 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 47 G 8.10 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 48 K 7.59 4.57 0.00 1.95 1.76 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.55 7.81 49 Q 8.48 4.63 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.69 4.14 0.00 1.38 1.20 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.27 4.55 0.00 2.06 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 2.42 0.00 52 D 9.15 4.36 0.00 2.72 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 53 G 7.98 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 54 R 7.89 4.38 0.00 2.27 1.87 0.00 3.09 0.00 0.00 2.84 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 55 T 8.24 4.93 4.41 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 1.20 0.00 0.00 56 L 8.68 4.16 0.00 1.82 1.69 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.19 4.13 0.00 4.03 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 58 D 7.72 4.27 0.00 2.63 2.29 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 59 Y 7.06 4.57 0.00 3.02 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 60 N 8.03 4.24 0.00 3.04 3.01 0.00 0.00 6.95 7.04 0.00 0.00 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 7.57 3.53 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.36 0.62 0.00 0.00 62 Q 8.59 4.59 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 63 R 8.50 3.92 0.00 1.76 1.90 0.00 3.35 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 64 E 9.21 3.68 0.00 2.20 2.32 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 2.28 2.29 0.00 65 S 7.86 4.55 0.00 3.75 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 66 T 8.73 5.10 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 1.21 0.00 0.00 67 L 9.08 4.96 0.00 1.56 1.61 0.83 0.68 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 68 H 9.07 5.36 0.00 3.05 3.18 0.00 5.60 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 8.76 5.00 0.00 1.63 1.58 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.50 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.54 4.73 0.00 1.58 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.66 4.08 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 73 L 8.27 4.63 0.00 1.56 1.50 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.49 4.61 0.00 1.75 1.73 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 75 G 8.20 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 76 G 8.45 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