NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5116 8.1627 120.2772 55.1081 34.2845 173.4488 2 K 4.6567 8.5186 123.6196 54.2958 34.9776 173.1687 3 I 4.8804 8.1287 127.9817 59.7859 41.0355 174.7075 4 K 4.6102 7.9952 120.6318 56.1357 35.3374 174.1453 5 L 4.4195 9.5034 130.2675 54.6635 42.5238 176.7479 6 V 4.5649 8.0662 119.2229 60.8639 32.7688 176.3097 7 R 4.4413 7.8293 119.5266 54.8201 33.4946 174.6723 8 S 4.0094 8.3953 117.6488 57.6080 63.4726 173.6655 9 V 4.3662 7.9775 118.2193 61.9557 32.6086 174.8972 10 I 3.8954 8.0367 121.2385 63.0650 37.1987 176.0676 11 G 3.9156 9.1861 113.3843 45.4778 0.0000 172.6056 12 R 4.7073 7.4075 116.5763 52.7737 33.5866 173.8655 13 P 4.2545 0.0000 0.0000 63.1448 32.0492 177.6968 14 G 4.0651 8.9420 112.2367 49.0283 0.0000 174.5702 15 N 4.1837 8.0370 117.1868 56.1562 39.3296 177.2835 16 Q 3.8533 8.2226 115.2982 59.2265 28.9810 179.9095 17 V 3.5528 7.5119 118.9447 66.5073 30.9459 177.6671 18 K 3.7877 8.3879 117.7965 60.1434 31.9226 178.9029 19 T 4.0223 7.9422 114.7862 66.9898 68.4075 176.2662 20 V 3.5639 7.9205 119.7182 66.2478 31.5361 177.4978 21 Q 3.9046 8.4082 119.2701 59.0144 28.6760 177.7412 22 A 3.9379 9.0208 121.6705 55.5798 18.6354 179.3250 23 L 4.0267 8.2202 116.4193 56.5049 41.6898 178.8399 24 G 3.8734 8.3825 106.2053 45.3632 0.0000 173.3959 25 L 4.5287 7.6752 119.2720 53.8344 42.9185 176.7573 26 R 4.5338 8.3356 115.0098 56.9586 33.8483 175.8930 27 K 4.7336 7.6352 115.0159 53.8883 35.9147 175.6228 28 I 3.8902 8.0320 114.1978 61.8805 38.2030 176.4700 29 G 3.9888 9.4763 112.0697 45.1917 0.0000 173.6778 30 D 4.8070 7.5865 119.4458 54.1752 42.4100 175.9326 31 S 5.1250 8.3007 115.2067 57.8317 66.7610 172.8559 32 R 4.5536 7.9042 116.0912 56.0867 32.5304 173.3032 33 E 4.5662 8.8819 123.5724 55.9064 29.9196 176.3592 34 V 4.2134 8.0627 126.9778 60.4271 33.4378 175.9105 35 S 4.2718 8.4655 116.3609 58.3071 63.1285 174.4844 36 D 4.7139 8.3647 128.6648 52.9068 39.5724 175.4828 37 T 4.7615 7.2737 112.5982 57.7470 73.7261 172.4883 38 P 4.3473 0.0000 0.0000 66.6791 30.8125 178.2017 39 A 3.9490 8.0120 120.6343 54.4526 18.2584 179.6397 40 V 3.5711 7.3091 113.3298 66.0840 31.7276 178.3660 41 R 4.0448 8.7759 118.9949 59.3872 29.8064 179.2912 42 G 3.6149 8.4040 105.5877 47.7896 0.0000 175.4264 43 M 4.0813 7.6726 121.0795 58.6662 32.1576 179.1044 44 V 3.3937 7.9896 117.6268 65.1695 31.5893 177.6580 45 K 4.2341 7.8294 117.4371 58.4761 32.2108 178.8051 46 T 4.0170 8.3996 116.1095 65.7744 68.5179 175.0305 47 V 4.3534 7.2260 113.3335 61.3565 32.6143 177.8293 48 K 4.2071 7.4790 118.1677 59.8200 32.6953 177.6523 49 H 4.1707 7.8518 118.1758 58.0331 29.0171 175.9281 50 L 4.2392 8.5119 121.0256 55.9266 42.0686 176.3250 51 L 4.8387 7.9824 117.6694 53.2387 44.2383 177.0288 52 E 4.4470 8.8159 122.9602 54.0137 28.5914 173.2558 53 V 3.3296 7.9926 121.1386 63.2698 31.7837 174.3658 54 Q 3.9149 9.2432 131.5451 58.2226 28.3483 176.4457 55 E 4.2707 7.9255 123.4952 56.9543 30.5491 175.2202 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 4.51 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 K 8.52 4.66 0.00 2.11 1.65 0.00 1.73 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.59 7.81 3 I 8.13 4.88 1.98 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 1.28 0.98 0.90 0.00 0.00 4 K 8.00 4.61 0.00 1.77 1.88 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.36 7.81 5 L 9.50 4.42 0.00 1.73 1.61 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.07 4.56 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 7 R 7.83 4.44 0.00 1.97 1.81 0.00 3.43 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 8 S 8.40 4.01 0.00 3.83 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 9 V 7.98 4.37 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 0.91 0.00 0.00 0.93 0.00 0.00 10 I 8.04 3.90 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 1.23 0.65 0.91 0.00 0.00 11 G 9.19 3.92 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 0.00 0.00 0.00 12 R 7.41 4.71 0.00 1.79 1.84 0.00 3.42 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 13 P 0.00 4.25 0.00 2.18 2.00 0.00 3.65 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 2.13 2.11 0.00 14 G 8.94 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 0.00 0.00 0.00 15 N 8.04 4.18 0.00 2.77 2.82 0.00 0.00 7.03 7.74 0.00 0.00 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 8.22 3.85 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 17 V 7.51 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 1.08 0.00 0.00 1.01 0.00 0.00 18 K 8.39 3.79 0.00 1.83 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.66 7.81 19 T 7.94 4.02 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 1.24 0.00 0.00 20 V 7.92 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 21 Q 8.41 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 22 A 9.02 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.03 0.00 1.87 1.78 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.38 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 25 L 7.68 4.53 0.00 1.76 1.61 0.91 0.74 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 26 R 8.34 4.53 0.00 1.72 1.88 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 27 K 7.64 4.73 0.00 1.92 1.64 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 28 I 8.03 3.89 1.95 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 29 G 9.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.59 4.81 0.00 2.91 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 5.12 0.00 3.94 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 32 R 7.90 4.55 0.00 1.93 2.06 0.00 2.76 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.35 0.00 33 E 8.88 4.57 0.00 1.98 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 0.00 2.28 2.36 0.00 34 V 8.06 4.21 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 8.47 4.27 0.00 3.85 3.80 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 36 D 8.36 4.71 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 37 T 7.27 4.76 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 4.35 0.00 2.28 2.38 0.00 3.71 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 2.08 2.07 0.00 39 A 8.01 3.95 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.31 3.57 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 1.09 0.00 0.00 0.93 0.00 0.00 41 R 8.78 4.04 0.00 2.01 1.97 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 42 G 8.40 3.61 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 0.00 0.00 0.00 43 M 7.67 4.08 0.00 1.99 2.29 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 2.62 2.96 0.00 44 V 7.99 3.39 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 1.02 0.00 0.00 0.92 0.00 0.00 45 K 7.83 4.23 0.00 2.14 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.51 7.81 46 T 8.40 4.02 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 1.21 0.00 0.00 47 V 7.23 4.35 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 48 K 7.48 4.21 0.00 1.88 1.71 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.39 7.81 49 H 7.85 4.17 0.00 3.28 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.51 4.24 0.00 1.75 1.71 0.99 -0.08 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 51 L 7.98 4.84 0.00 1.45 1.57 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.82 4.45 0.00 1.90 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 2.22 2.22 0.00 53 V 7.99 3.33 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 0.79 0.00 0.00 0.92 0.00 0.00 54 Q 9.24 3.91 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.45 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 55 E 7.93 4.27 0.00 1.95 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 2.22 2.30 0.00