NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3721 8.3049 120.3481 54.9570 33.7419 175.9005 2 L 3.8948 7.6323 117.8990 53.8267 42.6519 174.2803 3 S 4.1156 8.9244 108.3192 60.4591 59.9464 169.8271 4 V 3.3413 7.4451 123.3872 66.3848 31.8881 176.5052 5 A 3.8071 7.7146 119.8926 55.9840 18.7217 178.4575 6 A 4.1132 8.0414 115.9258 53.9848 18.8962 179.2765 7 R 3.8695 8.0629 114.7066 56.6016 30.0096 172.7388 8 S 3.7813 8.2959 118.7425 59.1082 63.7541 169.2658 9 G 4.0612 8.2630 118.0275 44.8512 0.0000 172.2056 10 P 4.6703 0.0000 0.0000 62.0141 32.6867 175.1141 11 F 4.4482 8.6599 123.0220 57.2370 40.5885 175.4066 12 A 4.6779 8.7789 125.7636 49.6635 21.0511 172.7397 13 P 4.8732 0.0000 0.0000 63.0098 32.6453 176.1930 14 V 4.5145 8.7803 123.5732 60.9544 34.6536 173.9151 15 L 5.1098 8.5491 127.9833 53.4697 44.8435 174.8808 16 S 4.6655 8.4407 116.9621 56.8065 66.0642 173.3756 17 A 4.3990 8.6249 124.6353 53.7267 19.5873 177.9680 18 T 4.4093 7.7947 107.5400 63.3311 69.6467 174.4470 19 S 4.6602 7.6802 118.4864 57.9350 64.4882 173.0487 20 R 4.6233 8.2559 120.6398 54.6237 33.3453 175.0780 21 G 3.7427 8.7721 108.1938 47.2853 0.0000 172.7396 22 V 4.6691 8.9521 126.0768 61.0441 35.0552 174.8874 23 A 4.7921 8.5740 126.2975 50.0302 20.8197 176.3525 24 G 4.2738 8.6802 112.0997 46.4256 0.0000 171.2597 25 A 4.4949 7.2034 128.2494 51.6177 21.0309 177.6698 26 L 4.6768 7.5007 113.6475 54.0388 45.1641 176.3416 27 R 4.4310 7.9851 119.6267 55.0873 34.2959 172.4856 28 P 4.5546 0.0000 0.0000 61.5498 32.4669 177.2877 29 L 5.5929 8.4445 131.2327 57.1015 41.2433 175.4488 30 V 3.6000 7.5006 118.3682 66.3553 31.2550 177.2583 31 Q 4.2829 8.0304 115.1018 56.1860 28.4152 176.3217 32 A 4.5694 8.4230 122.8437 52.5746 20.8670 178.8438 33 A 4.1071 7.6991 117.9371 54.5411 18.0871 178.2142 34 V 3.6669 7.0891 116.1127 64.5262 32.1699 173.7959 35 P 4.1960 0.0000 0.0000 62.6872 31.6850 175.9341 36 A 4.8057 8.1002 126.5536 50.2718 21.7759 175.2858 37 T 3.7156 8.4146 113.2832 64.8613 65.8641 174.2804 38 S 4.6608 7.7351 118.3607 56.6652 63.3220 176.6287 39 E 4.3579 7.9533 128.6883 54.7567 29.0272 178.4952 40 S 5.1919 8.7528 105.7650 55.0628 62.2939 170.3737 41 P 4.5106 0.0000 0.0000 62.1821 32.2889 176.1094 42 V 4.0912 7.4739 116.8300 61.6643 32.3414 172.7489 43 L 3.5080 8.2888 128.4823 55.3197 37.8958 174.3430 44 D 4.6716 7.9924 121.8985 52.5948 42.7941 175.0900 45 L 4.0542 7.9439 121.2156 54.9677 41.6728 177.3443 46 K 4.7389 7.3187 129.5943 54.8885 33.5303 176.6467 47 R 4.3341 7.8478 123.3851 55.4390 34.8101 177.1081 48 S 5.0806 8.4506 110.2963 58.1295 63.9419 176.3503 49 V 4.2667 7.9523 121.8316 62.0264 33.9696 174.8947 50 L 4.0413 8.7107 124.9273 54.0068 40.0073 175.6713 51 C 3.9411 7.8684 116.5870 59.2970 31.5782 171.3035 52 R 4.7274 8.6990 117.0722 54.7040 33.3863 173.1521 53 E 4.5107 7.9719 121.0361 56.0701 30.3553 176.6845 54 S 4.9242 7.4549 113.2092 56.6075 67.6385 175.4661 55 L 4.5788 7.5972 126.5153 54.7983 46.2845 177.1247 56 R 4.8119 7.9102 129.7326 57.0590 30.4215 173.3620 57 G 3.7402 8.2901 106.0788 45.3844 0.0000 171.7084 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 4.37 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.63 3.89 0.00 1.75 1.65 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.92 4.12 0.00 3.96 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 4 V 7.45 3.34 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 0.83 0.00 0.00 0.93 0.00 0.00 5 A 7.71 3.81 1.28 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 6 A 8.04 4.11 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 7 R 8.06 3.87 0.00 1.74 2.06 0.00 3.37 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 8 S 8.30 3.78 0.00 4.03 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 9 G 8.26 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.67 0.00 1.94 2.03 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 11 F 8.66 4.45 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.68 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 13 P 0.00 4.87 0.00 1.96 1.98 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 14 V 8.78 4.51 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 0.98 0.00 0.00 0.96 0.00 0.00 15 L 8.55 5.11 0.00 1.66 1.49 0.92 0.83 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 16 S 8.44 4.67 0.00 3.80 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 17 A 8.62 4.40 1.28 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 18 T 7.79 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 19 S 7.68 4.66 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.62 0.00 1.75 1.78 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 21 G 8.77 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.95 4.67 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 1.08 0.00 0.00 0.99 0.00 0.00 23 A 8.57 4.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.68 4.27 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 0.00 25 A 7.20 4.49 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.50 4.68 0.00 1.66 1.44 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.99 4.43 0.00 1.62 1.79 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 28 P 0.00 4.55 0.00 2.04 1.99 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 29 L 8.44 5.59 0.00 1.84 1.71 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.50 3.60 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 0.94 0.00 0.00 0.92 0.00 0.00 31 Q 8.03 4.28 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 A 8.42 4.57 1.29 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 0.00 0.00 33 A 7.70 4.11 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 34 V 7.09 3.67 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 0.83 0.00 0.00 0.99 0.00 0.00 35 P 0.00 4.20 0.00 2.08 2.00 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 36 A 8.10 4.81 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 37 T 8.41 3.72 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 1.21 0.00 0.00 38 S 7.74 4.66 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.36 0.00 1.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 40 S 8.75 5.19 0.00 4.10 4.11 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 0.00 0.00 0.00 0.00 41 P 0.00 4.51 0.00 2.24 2.57 0.00 3.45 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 1.98 2.06 0.00 42 V 7.47 4.09 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 0.86 0.00 0.00 0.93 0.00 0.00 43 L 8.29 3.51 0.00 1.84 1.69 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.99 4.67 0.00 2.66 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 45 L 7.94 4.05 0.00 1.63 1.67 0.92 0.74 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 46 K 7.32 4.74 0.00 1.88 0.87 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.39 7.81 47 R 7.85 4.33 0.00 1.74 1.02 0.00 3.41 0.00 0.00 3.28 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 48 S 8.45 5.08 0.00 4.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.95 4.27 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 0.87 0.00 0.00 0.94 0.00 0.00 50 L 8.71 4.04 0.00 1.86 1.86 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.87 3.94 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 4.73 0.00 1.78 1.75 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 53 E 7.97 4.51 0.00 2.05 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 0.00 2.11 2.04 0.00 54 S 7.45 4.92 0.00 3.91 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 55 L 7.60 4.58 0.00 1.63 0.76 0.92 0.87 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 56 R 7.91 4.81 0.00 1.87 1.43 0.00 3.17 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 57 G 8.29 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00