NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5308 8.3049 120.6208 55.4017 32.5632 172.8601 2 E 4.3995 9.0604 119.5767 52.2175 33.6054 173.9554 3 Q 3.9698 9.6119 125.6761 55.4402 28.5582 174.6975 4 K 4.5441 8.7015 126.8518 55.1677 36.8027 174.9062 5 T 5.3042 8.0183 116.4862 60.9978 70.3987 174.2015 6 L 4.3648 8.4885 129.0233 53.4416 39.7425 174.8347 7 Q 3.7931 8.6420 121.1907 55.2976 30.0132 176.1386 8 V 4.6435 8.3529 126.9286 61.6113 33.1648 174.3874 9 E 4.3776 8.7010 128.6121 54.7103 30.7676 176.6559 10 G 3.8160 8.7933 116.7625 45.1145 0.0000 171.3144 11 M 4.7365 8.1756 123.4620 53.7067 34.3084 175.7166 12 S 4.7025 7.6083 125.5250 58.7327 67.1529 176.3273 13 C 4.7289 9.0169 113.5874 60.3285 34.9220 172.9165 14 Q 4.7171 7.8664 116.5094 57.6718 35.7970 174.5752 15 H 4.4576 7.9690 118.8583 55.5979 28.1746 172.6396 16 C 4.6676 8.0683 121.2496 59.5758 36.8384 176.0150 17 V 3.5991 8.1526 113.0800 64.6551 31.0688 178.6342 18 K 3.9391 7.9052 117.3509 59.7015 32.5674 178.6030 19 A 3.9204 7.8008 121.5784 55.1761 18.1204 179.6773 20 V 3.5675 7.8485 115.2319 66.3605 31.7259 176.9409 21 E 4.1297 7.9294 119.5981 58.1816 29.5788 178.1552 22 T 3.8820 8.7127 115.5242 67.0742 68.6244 176.2191 23 S 4.0968 7.7359 115.4541 62.0167 63.1937 176.9476 24 V 3.8160 7.7922 120.0493 65.8479 31.2782 177.9014 25 G 3.7951 8.3904 104.4402 47.3007 0.0000 174.7017 26 E 4.3186 7.7945 119.5122 57.2918 29.9000 176.9417 27 L 4.0999 7.7486 120.6801 54.2326 41.9512 177.1395 28 D 4.3647 9.0473 124.3526 57.4150 41.1957 177.4210 29 G 3.8722 8.0077 105.5398 45.9234 0.0000 173.5299 30 V 4.2437 7.8071 120.3012 62.2028 31.8466 176.1288 31 S 4.6681 9.3628 115.4909 59.6530 66.0305 174.6216 32 A 4.7269 7.8149 118.9886 49.7959 22.5829 176.3530 33 V 4.7746 7.7330 111.5709 60.3838 31.4944 177.5431 34 H 4.7338 8.8032 122.4540 54.5509 27.2978 176.6281 35 V 3.9452 7.5644 118.6696 61.9618 32.7675 178.1804 36 N 5.0406 8.8997 123.7185 51.5874 40.0894 175.5955 37 L 3.9776 7.8932 120.7192 58.7807 41.2268 180.0036 38 E 3.8436 8.2686 117.7427 59.0645 29.4256 177.5511 39 A 4.2156 8.0930 119.3550 51.9800 19.0221 177.1725 40 G 3.8597 8.9380 103.9105 45.6422 0.0000 173.4929 41 K 4.7014 7.6027 118.1301 54.9322 36.3361 175.1556 42 V 4.7007 8.1574 123.8333 60.5196 34.0159 173.8275 43 D 4.8418 9.1505 127.9369 53.5296 40.9301 175.0697 44 V 4.5916 8.6126 117.4171 59.5396 33.8507 174.7565 45 S 4.9419 8.4534 121.9932 56.5034 63.9097 172.9222 46 F 5.2632 8.3913 120.7985 55.7517 41.9181 173.3554 47 D 5.1705 9.2056 121.1501 52.4015 38.9168 176.4607 48 A 4.3318 8.3884 125.8053 54.7162 19.1382 179.4431 49 D 4.3711 8.2978 113.9683 57.4753 41.3456 177.5003 50 K 4.0871 8.0302 117.8818 58.0988 32.7317 176.9228 51 V 4.2815 7.7749 113.2000 58.5575 33.9879 175.4673 52 S 4.5816 8.3783 121.6952 57.4567 65.0508 175.2733 53 V 3.3090 8.3545 116.6171 64.7154 31.3423 178.5367 54 K 3.8083 8.0393 118.5458 59.6057 32.0388 177.7025 55 D 4.3023 8.0936 117.5573 57.7176 41.0952 178.6005 56 I 3.4657 7.5218 119.5586 64.1647 37.0168 178.3173 57 A 3.9825 8.2393 121.9727 55.3658 18.1669 179.3993 58 D 4.3157 8.6842 117.4985 57.4729 40.6204 178.8941 59 A 3.9568 8.0961 120.8740 55.0007 18.4795 179.5511 60 I 3.7846 7.5381 118.0140 64.7486 37.0344 178.5234 61 E 4.3438 7.8797 119.0619 58.8437 29.2753 178.7954 62 D 4.5235 8.2525 118.5881 56.6293 40.8072 175.8524 63 Q 4.4494 8.3158 117.0247 56.6453 31.8953 176.3217 64 G 3.9060 7.2836 109.5787 45.3509 0.0000 173.2185 65 Y 4.8658 7.2991 112.1131 56.3192 39.2244 175.3526 66 D 4.9301 7.6862 117.0831 53.2785 41.8265 178.8127 67 V 4.3822 7.3112 117.0731 59.6542 31.8358 175.0565 68 A 3.8598 8.1760 129.1732 53.9343 19.0603 179.8856 69 K 4.2751 7.2220 110.2517 56.0424 37.0713 172.9282 70 I 4.2754 8.1495 122.2075 62.1689 37.2011 176.4760 71 E 4.1687 9.2506 131.1519 56.6045 29.1131 177.0987 72 G 4.1132 8.7506 110.8569 45.3011 0.0000 172.0581 73 R 4.0832 8.2379 116.9929 56.3547 30.0583 176.9555 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 4.53 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 E 9.06 4.40 0.00 1.94 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 2.22 2.36 0.00 3 Q 9.61 3.97 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 4 K 8.70 4.54 0.00 1.31 1.66 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.23 1.28 7.81 5 T 8.02 5.30 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 1.23 0.00 0.00 6 L 8.49 4.36 0.00 1.64 1.72 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.64 3.79 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 8 V 8.35 4.64 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 1.04 0.00 0.00 9 E 8.70 4.38 0.00 2.02 1.87 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 2.25 2.40 0.00 10 G 8.79 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 0.00 0.00 0.00 11 M 8.18 4.74 0.00 2.10 2.08 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 2.56 2.49 0.00 12 S 7.61 4.70 0.00 3.75 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.02 4.73 0.00 2.93 2.86 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 14 Q 7.87 4.72 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.20 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 15 H 7.97 4.46 0.00 3.14 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.07 4.67 0.00 2.90 2.76 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 0.00 0.00 0.00 17 V 8.15 3.60 2.05 0.00 0.00 0.00 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 0.88 0.00 0.00 18 K 7.91 3.94 0.00 1.89 2.00 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.28 7.81 19 A 7.80 3.92 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 20 V 7.85 3.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 21 E 7.93 4.13 0.00 2.18 1.98 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 0.00 2.31 2.51 0.00 22 T 8.71 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 23 S 7.74 4.10 0.00 3.84 3.97 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 0.00 0.00 0.00 24 V 7.79 3.82 2.28 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 1.26 0.00 0.00 1.05 0.00 0.00 25 G 8.39 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 26 E 7.79 4.32 0.00 2.14 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 2.42 2.52 0.00 27 L 7.75 4.10 0.00 1.79 1.57 0.81 0.70 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 28 D 9.05 4.36 0.00 2.61 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 29 G 8.01 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 30 V 7.81 4.24 2.37 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 0.75 0.00 0.00 1.11 0.00 0.00 31 S 9.36 4.67 0.00 3.80 3.89 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 32 A 7.81 4.73 1.14 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 0.00 0.00 0.00 0.00 0.00 33 V 7.73 4.77 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 34 H 8.80 4.73 0.00 3.20 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.56 3.95 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 0.98 0.00 0.00 36 N 8.90 5.04 0.00 2.91 2.73 0.00 0.00 6.29 6.12 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 37 L 7.89 3.98 0.00 1.86 1.94 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.27 3.84 0.00 1.97 2.05 0.00 0.00 0.00 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 2.31 0.00 39 A 8.09 4.22 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 40 G 8.94 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 0.00 0.00 0.00 41 K 7.60 4.70 0.00 1.80 1.59 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.43 7.81 42 V 8.16 4.70 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 0.76 0.00 0.00 0.96 0.00 0.00 43 D 9.15 4.84 0.00 2.70 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 44 V 8.61 4.59 1.94 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 0.78 0.00 0.00 0.94 0.00 0.00 45 S 8.45 4.94 0.00 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 5.26 0.00 2.87 3.06 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 47 D 9.21 5.17 0.00 2.94 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 48 A 8.39 4.33 1.43 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 0.00 0.00 0.00 49 D 8.30 4.37 0.00 2.66 2.74 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 50 K 8.03 4.09 0.00 1.76 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 51 V 7.77 4.28 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 0.90 0.00 0.00 0.86 0.00 0.00 52 S 8.38 4.58 0.00 4.03 3.98 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 0.00 0.00 0.00 0.00 53 V 8.35 3.31 2.28 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 0.98 0.00 0.00 0.98 0.00 0.00 54 K 8.04 3.81 0.00 1.81 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.81 1.50 7.81 55 D 8.09 4.30 0.00 2.68 2.76 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 0.00 0.00 0.00 56 I 7.52 3.47 1.26 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.48 0.00 0.00 57 A 8.24 3.98 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 58 D 8.68 4.32 0.00 2.75 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 59 A 8.10 3.96 1.32 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 0.00 0.00 0.00 60 I 7.54 3.78 2.03 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 1.52 0.56 0.88 0.00 0.00 61 E 7.88 4.34 0.00 2.11 2.06 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 2.41 2.24 0.00 62 D 8.25 4.52 0.00 2.73 2.74 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 63 Q 8.32 4.45 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 64 G 7.28 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 65 Y 7.30 4.87 0.00 3.01 3.01 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 66 D 7.69 4.93 0.00 2.54 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 67 V 7.31 4.38 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 0.78 0.00 0.00 0.96 0.00 0.00 68 A 8.18 3.86 1.32 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 0.00 0.00 0.00 69 K 7.22 4.28 0.00 1.84 1.85 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.23 7.81 70 I 8.15 4.28 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.97 0.00 0.00 71 E 9.25 4.17 0.00 1.94 1.90 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 2.28 2.30 0.00 72 G 8.75 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 0.00 0.00 0.00 73 R 8.24 4.08 0.00 1.81 1.85 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00