NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 5.5919 8.2048 117.5943 52.8385 33.6250 176.8207 0 Q 4.0243 9.0175 113.6424 51.7129 26.5399 174.3365 1 T 3.8968 8.7722 118.9946 62.5133 71.2300 173.6086 2 L 3.7607 8.2926 122.5591 58.2490 42.0342 178.8234 3 S 3.9919 7.9404 112.6891 61.2477 62.0268 175.2012 4 E 3.8826 8.1042 121.7489 59.7265 29.4711 179.2089 5 R 3.7458 7.7751 117.8370 59.1408 29.8036 178.2930 6 L 4.0922 7.8270 119.8089 58.3498 42.2553 178.2538 7 K 3.8992 9.0475 118.5766 57.5087 31.5998 181.0699 8 K 4.6609 7.2377 119.0893 58.9377 32.6254 177.9441 9 R 3.9817 7.7275 117.3984 59.5892 30.2883 178.0181 10 R 3.9362 9.8871 118.7445 59.2963 29.9086 178.1014 11 I 3.6689 7.7787 118.2237 64.7360 37.1877 178.2987 12 A 4.0989 8.0207 119.1883 54.3949 18.2323 178.7760 13 L 4.2820 8.0256 116.5037 53.5049 43.4323 175.9172 14 K 3.8253 8.1728 119.2012 57.1642 30.4574 173.7194 15 M 4.8155 7.6036 123.6129 54.2276 36.9741 174.2646 16 T 4.7203 7.6138 113.9809 60.4324 71.8986 172.6716 17 Q 3.7492 8.9211 119.2341 60.0537 28.7656 179.3933 18 T 3.9113 7.9812 118.6647 66.9742 68.7148 175.8627 19 E 4.2005 7.8440 119.1046 59.3490 29.9688 177.4465 20 L 3.9498 8.8575 120.9537 56.7708 41.8975 178.6732 21 A 3.9459 8.3316 120.6702 55.7544 18.5189 179.6935 22 T 3.3808 7.6081 112.7639 65.5895 68.3387 176.7916 23 K 4.0754 9.4522 120.4626 58.6407 32.7751 178.1539 24 A 4.1568 7.9009 119.5796 52.7083 18.9241 177.0321 25 G 3.8103 8.1459 103.9508 46.3840 0.0000 172.7351 26 V 4.4281 8.3293 115.2263 59.6900 34.5183 175.0693 27 K 4.4991 7.9360 120.3694 55.7508 33.9435 177.3166 28 Q 3.8213 8.6885 124.1199 59.6513 29.0605 179.6549 29 Q 3.9907 8.0675 118.4397 59.0747 28.6733 178.6454 30 S 4.1439 9.0469 117.2543 61.9023 62.9028 176.9880 31 I 3.7855 7.6816 121.8452 64.0389 36.8555 177.9541 32 Q 3.8863 7.9736 120.6195 59.3093 28.8902 178.0666 33 L 4.0029 7.9012 119.8445 58.3943 41.5819 179.6194 34 I 3.7251 7.5172 119.6064 64.3342 36.9014 178.1119 35 E 3.5927 8.1167 119.1002 59.5267 29.5020 179.0321 36 A 4.1511 8.3087 119.2703 52.1488 19.5107 176.6463 37 G 3.6675 8.6864 105.6573 46.4902 0.0000 174.3058 38 V 4.2577 8.3776 114.3839 61.8915 33.6874 174.8579 39 T 4.4518 7.7920 115.1442 62.0864 69.1966 173.9221 40 K 4.1610 8.4973 125.9195 57.7319 33.1540 178.1147 41 R 4.5453 7.6839 116.4653 55.2015 31.0109 171.5997 42 P 4.2422 0.0000 0.0000 61.7388 33.1748 176.2701 43 R 4.1797 8.4199 119.1974 57.3496 30.7308 177.4164 44 F 5.2658 7.9528 116.0304 56.6293 39.1254 176.6732 45 L 4.4092 7.9780 122.5033 58.7054 41.3639 178.8546 46 F 4.1637 8.2858 115.7866 59.6597 39.2974 177.3160 47 E 4.3102 8.1695 118.1739 59.7120 29.5171 177.9550 48 I 3.7168 9.7359 118.8797 63.5248 36.8713 177.9833 49 A 3.9690 7.0981 126.1405 55.1026 18.8493 178.5533 50 M 4.2837 7.6445 114.1418 56.1747 32.4426 177.4100 51 A 4.2765 9.4341 120.9700 55.5739 19.0825 179.5074 52 L 3.6235 7.8794 115.2360 55.4683 43.0362 175.8444 53 N 4.2576 8.2694 115.9375 53.3199 37.3586 172.3907 54 C 4.2527 8.5306 119.6809 56.5622 32.4277 175.0169 55 D 4.9237 8.8523 118.4738 51.7901 42.6372 174.6054 56 P 4.0698 0.0000 0.0000 65.8197 31.2931 178.3663 57 V 3.6946 7.8328 116.0635 65.8708 31.3657 177.3385 58 W 4.1357 9.5560 127.9077 60.4353 30.5344 177.4818 59 L 3.0418 9.8942 118.5175 57.9765 41.6889 178.0967 60 Q 3.6056 8.5621 118.5228 59.0950 29.3503 176.3344 61 Y 4.6662 8.5613 119.4629 57.3379 38.7043 176.2455 62 G 3.7983 8.7547 116.9137 47.2697 0.0000 172.3161 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 8.20 5.59 0.00 2.20 2.21 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 2.42 2.53 0.00 0 Q 9.02 4.02 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 1 T 8.77 3.90 4.19 0.00 0.00 0.00 0.00 0.00 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 2 L 8.29 3.76 0.00 1.61 1.59 0.67 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.94 3.99 0.00 4.08 3.79 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 0.00 0.00 0.00 4 E 8.10 3.88 0.00 2.04 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 2.32 2.54 0.00 5 R 7.78 3.75 0.00 1.87 1.59 0.00 2.21 0.00 0.00 2.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.61 0.00 6 L 7.83 4.09 0.00 1.72 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.05 3.90 0.00 1.86 1.66 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.68 7.81 8 K 7.24 4.66 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.29 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.90 7.81 9 R 7.73 3.98 0.00 2.04 2.28 0.00 3.28 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 10 R 9.89 3.94 0.00 2.27 1.88 0.00 3.36 0.00 0.00 3.06 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 11 I 7.78 3.67 2.12 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 1.58 0.70 0.92 0.00 0.00 12 A 8.02 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.28 0.00 1.95 1.71 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.17 3.83 0.00 2.00 1.93 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 15 M 7.60 4.82 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 16 T 7.61 4.72 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 1.27 0.00 0.00 17 Q 8.92 3.75 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 18 T 7.98 3.91 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 1.20 0.00 0.00 19 E 7.84 4.20 0.00 2.09 2.00 0.00 0.00 0.00 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 2.35 0.00 20 L 8.86 3.95 0.00 1.78 1.73 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.33 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 22 T 7.61 3.38 4.33 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 1.20 0.00 0.00 23 K 9.45 4.08 0.00 1.74 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 24 A 7.90 4.16 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 25 G 8.15 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.33 4.43 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 0.57 0.00 0.00 0.90 0.00 0.00 27 K 7.94 4.50 0.00 1.75 1.67 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.45 7.81 28 Q 8.69 3.82 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 29 Q 8.07 3.99 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 30 S 9.05 4.14 0.00 3.73 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 31 I 7.68 3.79 2.05 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 1.53 0.84 0.91 0.00 0.00 32 Q 7.97 3.89 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 33 L 7.90 4.00 0.00 1.95 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.52 3.73 1.86 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 1.66 0.91 0.86 0.00 0.00 35 E 8.12 3.59 0.00 1.95 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 0.00 2.34 2.45 0.00 36 A 8.31 4.15 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 37 G 8.69 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.38 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 39 T 7.79 4.45 4.23 0.00 0.00 0.00 0.00 0.00 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 40 K 8.50 4.16 0.00 1.72 1.82 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 41 R 7.68 4.55 0.00 1.68 1.75 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 42 P 0.00 4.24 0.00 2.15 2.01 0.00 3.86 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 R 8.42 4.18 0.00 1.61 1.74 0.00 3.12 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 44 F 7.95 5.27 0.00 3.20 3.28 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 45 L 7.98 4.41 0.00 1.65 1.55 0.75 0.68 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 46 F 8.29 4.16 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.31 0.00 2.44 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 0.00 2.55 2.61 0.00 48 I 9.74 3.72 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.93 0.00 0.00 49 A 7.10 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.64 4.28 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 51 A 9.43 4.28 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.88 3.62 0.00 1.72 1.84 0.99 1.04 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 53 N 8.27 4.26 0.00 2.97 2.89 0.00 0.00 6.97 7.53 0.00 0.00 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 C 8.53 4.25 0.00 3.26 2.63 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 55 D 8.85 4.92 0.00 2.77 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 56 P 0.00 4.07 0.00 1.88 1.41 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 57 V 7.83 3.69 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 1.17 0.00 0.00 1.08 0.00 0.00 58 W 9.56 4.14 0.00 3.26 3.55 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 59 L 9.89 3.04 0.00 1.87 1.61 0.90 0.47 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 60 Q 8.56 3.61 0.00 1.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.41 0.00 0.00 0.00 0.00 0.00 1.91 1.42 0.00 61 Y 8.56 4.67 0.00 2.77 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.75 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 0.00 0.00 0.00