NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.6648 0.0000 0.0000 62.3000 32.3847 176.3033 18 F 3.7604 9.1428 126.8672 60.7146 39.2672 174.5864 19 L 4.4523 8.0584 117.7800 54.0022 42.7585 177.3730 20 K 3.7952 7.9309 122.3333 59.2848 32.0751 178.0165 21 G 3.8196 7.9782 104.8432 46.6635 0.0000 173.6452 22 L 4.4688 8.1321 119.6067 54.0134 43.0548 176.8446 23 V 4.1007 7.3002 118.7357 64.1257 31.8552 174.8128 24 N 4.2052 8.5426 120.2829 54.3787 37.0136 173.7387 25 H 4.9438 7.8920 114.9128 53.9477 32.2532 173.6983 26 R 4.6552 8.4122 121.0378 56.1996 31.2397 175.6852 27 V 4.9697 9.2723 119.4043 59.4110 36.5594 174.4108 28 G 4.1374 9.5651 108.4963 44.8304 0.0000 172.1705 29 V 4.7840 9.6106 128.3610 61.1718 33.3615 174.2787 30 K 4.6179 8.7626 130.6739 54.6003 33.7053 175.7019 31 L 4.5274 7.8199 127.1570 53.9948 42.4070 177.4774 32 K 4.1489 8.1902 120.7517 59.3271 32.2740 178.1559 33 F 4.6114 7.2496 112.9801 56.6957 39.7143 177.0666 34 N 4.2397 8.7427 118.8861 53.5265 37.3106 173.9024 35 S 4.7002 8.1054 106.5310 58.5781 62.4842 173.6000 36 T 4.9685 7.3520 116.9751 62.6892 71.9475 175.1352 37 E 4.7632 8.8870 125.0579 55.0033 33.5751 173.2339 38 Y 5.2291 9.0983 124.6907 56.7455 40.2168 174.7554 39 R 4.9892 9.1435 122.9695 54.4220 33.8967 175.5683 40 G 4.2951 7.9602 108.2841 46.8088 0.0000 171.4618 41 T 4.8600 8.1541 116.7692 62.5102 70.4978 174.8584 42 L 4.5580 8.9324 129.4118 53.7873 41.3790 176.8943 43 V 3.7126 8.2478 124.8613 65.1912 31.6684 175.9250 44 S 4.7433 7.3152 111.7852 57.8786 66.9858 171.5100 45 T 5.2563 8.0510 113.2327 63.9152 71.8777 172.0905 46 D 5.0872 8.5714 122.6398 51.3914 42.0806 175.5091 47 N 4.4906 8.9181 114.5473 56.7381 38.5775 176.8467 48 Y 4.1045 7.8881 112.4038 58.4661 37.5336 177.0549 49 F 3.7320 8.1626 117.0143 57.8894 37.7455 174.9134 50 N 4.8948 7.8724 118.6706 53.2413 39.4809 174.1910 51 L 5.1487 8.6454 122.6834 54.2098 44.6341 174.6350 52 Q 4.5010 8.6121 122.4897 54.4062 30.9801 173.8135 53 L 4.8770 8.7638 128.6219 53.1900 45.0824 174.4404 54 N 5.0555 9.1774 124.4480 52.0233 42.1989 173.7480 55 E 3.9201 9.3112 121.3090 56.5267 28.0520 175.0809 56 A 4.3439 7.6066 118.5814 53.0072 19.9664 177.3952 57 E 4.9226 10.0415 122.9420 54.3763 33.1942 174.0129 58 E 4.8812 8.7412 128.8214 55.9063 31.2221 175.0943 59 F 5.1595 9.5630 125.2698 55.5878 43.1950 174.0966 60 V 4.5576 9.0081 122.8405 61.2663 34.1296 175.3363 61 A 3.8709 9.9056 132.1077 53.2702 16.6007 176.9444 62 G 3.9707 8.4862 103.6446 47.8718 0.0000 174.3451 63 V 4.4931 8.0957 118.9608 60.3973 34.1951 174.5668 64 S 4.0827 8.5561 121.3563 58.2221 62.7712 173.5582 65 H 4.7198 8.4614 125.8105 56.1269 29.2189 173.2035 66 G 3.6540 7.6371 105.4711 44.7504 0.0000 173.2638 67 T 4.7040 8.2152 114.8020 61.6832 70.5188 173.8559 68 L 4.7314 8.0610 126.4546 51.5485 44.1864 179.6566 69 G 4.2338 8.6453 106.5435 46.4525 0.0000 174.8585 70 E 4.9416 8.9579 125.7359 55.1791 30.3795 174.6920 71 I 4.7254 8.8426 117.5165 59.0321 41.3774 174.3603 72 F 5.1236 9.0075 122.3713 56.1551 40.6337 174.9888 73 I 4.4824 8.8613 125.4302 59.9900 39.9386 174.9554 74 R 4.7455 8.4812 125.6114 55.5509 31.7100 177.5430 75 S 4.2382 9.1835 121.8361 61.9786 62.6013 173.7865 76 N 4.0306 8.0994 117.0500 56.3417 38.7812 175.7287 77 N 4.7609 8.5737 113.4537 53.5966 39.0588 174.5012 78 V 4.2940 8.4122 120.8938 61.6835 32.5636 175.1763 79 L 4.2805 8.6946 130.7833 57.3788 42.5534 175.9498 80 Y 4.8981 6.9076 113.7049 56.5224 40.8552 172.5474 81 I 5.5157 8.9153 120.6622 59.6739 40.4894 175.1775 82 R 4.7030 9.0220 122.2059 54.1704 33.2831 174.3308 83 E 4.3609 8.7558 122.2353 55.4430 29.6503 176.1980 84 L 4.2890 8.5234 127.9813 53.5169 42.6475 175.4383 85 P 4.6537 0.0000 0.0000 63.3875 31.8768 175.8802 86 N 4.5728 8.0389 120.8636 54.0861 37.3595 174.1284 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 17 P 0.00 4.66 0.00 2.21 2.10 0.00 3.89 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 18 F 9.14 3.76 0.00 3.06 2.96 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 19 L 8.06 4.45 0.00 1.62 1.59 -0.04 1.03 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 20 K 7.93 3.80 0.00 1.87 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 21 G 7.98 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 22 L 8.13 4.47 0.00 1.73 1.65 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.30 4.10 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 0.88 0.00 0.00 0.96 0.00 0.00 24 N 8.54 4.21 0.00 2.89 2.81 0.00 0.00 6.84 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 25 H 7.89 4.94 0.00 3.38 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.41 4.66 0.00 1.91 1.82 0.00 3.12 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 27 V 9.27 4.97 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 0.70 0.00 0.00 1.04 0.00 0.00 28 G 9.57 4.14 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 0.00 29 V 9.61 4.78 2.23 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 1.00 0.00 0.00 1.02 0.00 0.00 30 K 8.76 4.62 0.00 1.24 0.74 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.54 0.99 7.81 31 L 7.82 4.53 0.00 1.04 0.99 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 4.15 0.00 1.79 1.89 0.00 1.92 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.56 7.81 33 F 7.25 4.61 0.00 3.17 3.05 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 0.00 0.00 0.00 34 N 8.74 4.24 0.00 2.89 2.90 0.00 0.00 6.72 7.57 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 35 S 8.11 4.70 0.00 3.78 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 36 T 7.35 4.97 3.90 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 0.70 0.00 0.00 37 E 8.89 4.76 0.00 1.80 1.62 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 2.13 2.17 0.00 38 Y 9.10 5.23 0.00 3.03 2.85 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 0.00 0.00 0.00 39 R 9.14 4.99 0.00 1.86 1.82 0.00 2.33 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 40 G 7.96 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.86 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 1.24 0.00 0.00 42 L 8.93 4.56 0.00 1.74 1.73 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.25 3.71 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 0.81 0.00 0.00 0.93 0.00 0.00 44 S 7.32 4.74 0.00 3.90 3.93 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 45 T 8.05 5.26 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 46 D 8.57 5.09 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.92 4.49 0.00 2.93 3.00 0.00 0.00 6.84 7.48 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 48 Y 7.89 4.10 0.00 3.37 3.07 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 49 F 8.16 3.73 0.00 3.18 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 50 N 7.87 4.89 0.00 3.14 2.85 0.00 0.00 6.48 6.62 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 51 L 8.65 5.15 0.00 1.65 1.70 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.61 4.50 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 53 L 8.76 4.88 0.00 1.64 1.35 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.18 5.06 0.00 2.78 2.57 0.00 0.00 7.01 7.67 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 55 E 9.31 3.92 0.00 2.09 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 2.26 2.24 0.00 56 A 7.61 4.34 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 57 E 10.04 4.92 0.00 2.05 2.16 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 1.85 2.25 0.00 58 E 8.74 4.88 0.00 2.33 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 2.25 2.20 0.00 59 F 9.56 5.16 0.00 2.98 2.83 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 0.00 0.00 0.00 0.00 60 V 9.01 4.56 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.69 0.00 0.00 61 A 9.91 3.87 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 62 G 8.49 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 0.00 0.00 0.00 63 V 8.10 4.49 2.23 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 1.00 0.00 0.00 0.98 0.00 0.00 64 S 8.56 4.08 0.00 3.07 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.46 4.72 0.00 3.05 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.64 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 0.00 0.00 0.00 67 T 8.22 4.70 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 1.29 0.00 0.00 68 L 8.06 4.73 0.00 1.48 1.56 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.65 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 0.00 0.00 0.00 0.00 70 E 8.96 4.94 0.00 1.92 1.75 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 2.25 2.27 0.00 71 I 8.84 4.73 1.78 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 1.09 0.73 0.83 0.00 0.00 72 F 9.01 5.12 0.00 2.79 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 73 I 8.86 4.48 2.02 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 1.11 0.68 0.99 0.00 0.00 74 R 8.48 4.75 0.00 1.80 1.92 0.00 3.59 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 75 S 9.18 4.24 0.00 3.60 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 76 N 8.10 4.03 0.00 2.77 2.96 0.00 0.00 6.91 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.57 4.76 0.00 2.99 3.04 0.00 0.00 6.60 7.28 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 78 V 8.41 4.29 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 0.82 0.00 0.00 1.08 0.00 0.00 79 L 8.69 4.28 0.00 1.50 1.52 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.91 4.90 0.00 3.05 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 81 I 8.92 5.52 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.00 0.00 0.00 82 R 9.02 4.70 0.00 1.82 1.88 0.00 2.78 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 83 E 8.76 4.36 0.00 1.96 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 2.27 2.32 0.00 84 L 8.52 4.29 0.00 1.59 1.56 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.65 0.00 2.16 2.10 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 86 N 8.04 4.57 0.00 2.81 2.79 0.00 0.00 6.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00