NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4370 8.1185 122.4700 51.6411 20.6903 175.5556 2 A 4.4682 8.6709 124.0174 51.0759 19.1110 175.7883 3 C 4.8843 9.5341 123.5271 54.5019 47.3007 171.1299 4 K 4.7809 8.4594 125.8024 56.0775 33.0339 176.2199 5 C 4.7695 8.2459 124.1412 55.7556 39.6647 173.8236 6 D 4.4093 8.8201 123.9600 57.6545 41.1469 176.6075 7 D 4.8603 7.8909 119.9568 53.4088 39.0119 177.2304 8 E 4.2471 7.7808 125.5498 54.5120 28.5329 176.0204 9 G 3.7903 7.7510 111.7110 44.5139 0.0000 170.5445 10 P 4.3328 0.0000 0.0000 64.6494 31.8162 176.6199 11 D 4.6609 7.4021 119.4117 53.9209 40.2658 179.1388 12 I 4.0487 7.2612 120.1834 60.9138 35.9109 176.6011 13 R 4.0744 8.2690 124.8373 58.0588 30.1050 176.7889 14 T 4.3562 7.2472 103.4463 61.3610 71.3615 175.8611 15 A 4.5527 7.6072 126.6631 49.8235 22.6694 173.9369 16 P 4.7053 0.0000 0.0000 65.1817 31.3729 176.4520 17 L 4.6693 7.6999 117.8996 54.5518 39.6782 175.5648 18 T 4.4330 8.0231 111.2761 62.5991 71.5048 175.3989 19 G 3.8653 8.0776 108.3635 46.3279 0.0000 172.6973 20 T 5.1946 9.0586 118.4233 61.2090 71.8446 174.1070 21 V 4.1038 8.5276 125.7738 63.3718 31.6814 174.6221 22 D 4.8232 9.0686 129.2133 52.4613 43.0302 176.0797 23 L 3.9563 8.4568 123.4048 55.7973 41.9379 174.6373 24 G 3.8959 9.5166 115.1151 44.9379 0.0000 176.0341 25 S 5.2309 7.5102 117.2740 54.8316 65.9280 173.8355 26 C 4.9448 8.5228 115.5924 55.3230 43.7676 173.0108 27 N 4.6714 8.1007 119.9042 51.5326 40.1549 174.0398 28 A 4.1460 8.4086 124.2587 54.0475 18.5934 178.0940 29 G 3.8553 9.2953 111.1075 45.2493 0.0000 172.4129 30 W 4.8062 8.3617 119.9119 54.9341 29.7482 174.5369 31 E 4.6930 8.7788 125.4431 53.9901 31.4972 175.2163 32 K 4.4052 8.7175 125.0807 57.8849 32.2213 177.0217 33 C 4.5498 9.6288 123.3748 58.6095 42.5078 173.8505 34 A 4.9366 7.9281 124.6491 48.5732 20.2345 176.0203 35 S 4.0816 8.9986 116.3786 61.7786 62.9860 175.0167 36 Y 4.9482 7.8865 119.3587 55.4565 40.6305 172.0704 37 Y 4.6760 7.5521 124.1901 57.3639 42.3433 174.8831 38 T 4.2294 7.2808 107.7866 59.9539 71.5497 176.6935 39 I 3.1417 6.1849 110.7527 58.0821 41.0906 175.1578 40 I 4.7744 7.4330 112.1570 59.0326 38.8721 174.4926 41 A 5.2831 8.8327 124.2347 51.6833 22.7764 175.9467 42 D 5.2962 9.2844 121.4516 51.7121 43.4786 174.2856 43 C 5.0181 8.9225 117.8175 55.9343 39.0075 172.2121 44 C 5.6865 9.3174 121.6227 55.0635 44.3245 173.0925 45 R 4.7060 9.0351 123.7383 54.3889 31.6372 175.1751 46 K 3.8177 7.8741 128.6534 55.7329 31.4983 175.1983 47 K 4.4979 8.0088 125.8764 54.5441 34.8528 176.6891 48 K 4.0916 8.4463 121.5707 56.6799 32.1805 176.6299 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 A 8.12 4.44 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 2 A 8.67 4.47 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 3 C 9.53 4.88 0.00 2.62 2.71 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 0.00 0.00 0.00 0.00 4 K 8.46 4.78 0.00 1.80 1.67 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.46 7.81 5 C 8.25 4.77 0.00 3.04 3.11 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 6 D 8.82 4.41 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 7 D 7.89 4.86 0.00 2.69 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 8 E 7.78 4.25 0.00 2.04 1.84 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 2.36 2.35 0.00 9 G 7.75 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 0.00 0.00 0.00 10 P 0.00 4.33 0.00 2.03 2.12 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 11 D 7.40 4.66 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.26 4.05 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.32 0.94 0.00 0.00 13 R 8.27 4.07 0.00 1.77 1.96 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 14 T 7.25 4.36 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 1.20 0.00 0.00 15 A 7.61 4.55 1.24 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 0.00 0.00 0.00 16 P 0.00 4.71 0.00 2.18 2.26 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 17 L 7.70 4.67 0.00 1.63 1.64 0.93 0.74 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 18 T 8.02 4.43 4.20 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 0.00 0.00 0.00 1.26 0.00 0.00 19 G 8.08 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 20 T 9.06 5.19 4.49 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 1.26 0.00 0.00 21 V 8.53 4.10 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 0.85 0.00 0.00 1.03 0.00 0.00 22 D 9.07 4.82 0.00 2.88 2.54 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 23 L 8.46 3.96 0.00 1.49 1.58 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.52 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 0.00 0.00 0.00 0.00 25 S 7.51 5.23 0.00 3.80 3.75 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 0.00 0.00 0.00 26 C 8.52 4.94 0.00 3.01 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 27 N 8.10 4.67 0.00 2.47 2.19 0.00 0.00 6.63 7.84 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 28 A 8.41 4.15 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 29 G 9.30 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 30 W 8.36 4.81 0.00 3.43 3.18 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 0.00 0.00 0.00 0.00 31 E 8.78 4.69 0.00 2.05 1.80 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 2.25 2.30 0.00 32 K 8.72 4.41 0.00 1.71 1.80 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.53 7.81 33 C 9.63 4.55 0.00 2.96 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 34 A 7.93 4.94 1.17 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 0.00 0.00 0.00 0.00 0.00 35 S 9.00 4.08 0.00 4.06 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 36 Y 7.89 4.95 0.00 2.83 2.89 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 37 Y 7.55 4.68 0.00 2.55 2.84 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 38 T 7.28 4.23 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 0.67 0.00 0.00 39 I 6.18 3.14 1.93 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 1.47 0.57 0.96 0.00 0.00 40 I 7.43 4.77 1.90 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 1.30 1.14 0.95 0.00 0.00 41 A 8.83 5.28 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 42 D 9.28 5.30 0.00 2.94 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 43 C 8.92 5.02 0.00 2.92 2.89 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 44 C 9.32 5.69 0.00 3.12 3.32 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 45 R 9.04 4.71 0.00 1.81 1.92 0.00 3.05 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 46 K 7.87 3.82 0.00 0.79 0.88 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.91 0.47 7.81 47 K 8.01 4.50 0.00 1.65 1.64 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.35 7.81 48 K 8.45 4.09 0.00 1.68 1.71 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.43 7.81