NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8760 8.3644 120.4876 54.1893 42.7226 174.1585 2 K 4.2394 8.8862 124.1094 54.0045 33.1332 173.6093 3 L 4.3306 8.4657 128.1301 53.1180 43.7443 176.1989 4 I 4.4745 7.5123 118.8699 59.1405 38.2469 174.7281 5 G 4.2035 7.2688 113.5610 46.3675 0.0000 172.3635 6 S 4.7984 8.1670 118.3944 57.4350 63.9511 175.0388 7 C 4.3847 9.1715 125.8712 58.6633 42.2887 174.4100 8 V 4.1234 7.6921 119.5722 60.3804 32.0078 175.0571 9 W 3.0641 8.5937 133.9867 57.5164 31.0793 174.4117 10 G 3.5270 8.4206 116.9063 46.0739 0.0000 174.4941 11 A 4.1459 7.1701 120.7134 51.0639 18.9861 177.5860 12 V 3.6192 8.0853 120.0783 63.0988 32.3563 175.7629 13 N 4.1737 8.8180 118.0300 54.4377 35.2759 173.9192 14 Y 4.6555 7.9171 118.1866 58.1691 39.7403 175.3802 15 T 3.8499 7.9885 122.3003 61.0154 68.6559 173.0963 16 S 3.9953 7.7259 124.4694 61.2605 63.4566 175.6120 17 N 4.6804 7.6330 118.4872 52.1847 34.7480 176.0389 18 C 4.0693 7.8045 124.4392 59.7849 40.7617 173.9674 19 N 4.3880 8.1154 117.5798 56.8718 38.6861 176.4820 20 A 3.9928 7.9147 121.5820 54.9234 18.4242 178.8559 21 E 3.8234 8.6866 118.1729 59.7836 29.6369 178.4873 22 C 4.3270 8.1219 116.3320 60.0039 40.0467 176.3066 23 K 4.7764 7.7731 120.1567 59.0943 31.7337 179.0596 24 R 4.0516 8.3022 118.1076 59.4278 30.0609 178.5524 25 R 4.2370 8.3533 117.2246 57.8228 30.5327 179.2828 26 G 4.7275 6.9528 121.1474 46.5704 0.0000 171.6869 27 Y 4.8138 7.3439 116.2002 55.1376 42.1677 176.9548 28 K 3.9353 9.0441 121.8654 60.0985 32.8424 176.4347 29 G 4.1616 7.7969 104.1027 46.0096 0.0000 171.9755 30 G 4.7956 8.5932 105.2970 45.5723 0.0000 172.4786 31 H 5.1266 9.2751 116.2907 54.0312 32.2625 172.1968 32 C 4.9158 8.9943 119.6524 57.2368 41.9146 173.4731 33 G 3.6408 10.0309 112.0135 46.4769 0.0000 171.5270 34 S 4.2400 8.8891 117.2516 58.0220 61.9461 170.2191 35 F 4.3659 8.9469 120.0229 59.5715 39.5477 175.8535 36 A 3.4856 8.9942 129.4166 52.6989 15.9704 175.8762 37 N 4.9742 8.0982 111.2652 55.0163 36.4371 176.2695 38 V 3.8993 7.9368 112.5075 63.0380 32.4047 175.8622 39 N 5.0354 8.0162 117.1426 51.3944 41.0743 174.3066 40 C 4.7062 8.4965 123.4858 55.2743 41.3426 172.0803 41 W 5.0469 8.8917 126.8383 55.0088 31.4207 174.3479 42 C 4.8274 9.2354 123.5857 56.2855 41.1753 172.9834 43 E 4.4923 8.9482 124.2166 56.1334 29.5311 177.3512 44 T 4.3576 8.6529 120.7639 64.0373 68.5268 174.3387 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 D 8.36 4.88 0.00 2.57 2.93 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 2 K 8.89 4.24 0.00 1.80 1.20 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.35 7.81 3 L 8.47 4.33 0.00 0.27 1.20 0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.51 4.47 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.29 0.85 0.00 0.00 5 G 7.27 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 0.00 0.00 0.00 0.00 6 S 8.17 4.80 0.00 3.95 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 7 C 9.17 4.38 0.00 2.87 3.31 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 8 V 7.69 4.12 2.13 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 0.85 0.00 0.00 0.97 0.00 0.00 9 W 8.59 3.06 0.00 2.78 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.17 4.15 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 12 V 8.09 3.62 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 0.83 0.00 0.00 0.92 0.00 0.00 13 N 8.82 4.17 0.00 3.00 2.92 0.00 0.00 6.73 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.92 4.66 0.00 3.05 2.98 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 15 T 7.99 3.85 4.09 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 0.00 0.00 0.00 1.12 0.00 0.00 16 S 7.73 4.00 0.00 3.79 3.72 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 17 N 7.63 4.68 0.00 2.70 2.72 0.00 0.00 6.67 7.63 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 18 C 7.80 4.07 0.00 2.92 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 19 N 8.12 4.39 0.00 2.81 2.79 0.00 0.00 7.05 8.51 0.00 0.00 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 A 7.91 3.99 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 21 E 8.69 3.82 0.00 2.06 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 0.00 2.24 2.37 0.00 22 C 8.12 4.33 0.00 3.16 3.22 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 0.00 23 K 7.77 4.78 0.00 1.94 1.90 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.55 7.81 24 R 8.30 4.05 0.00 1.87 2.14 0.00 3.44 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 25 R 8.35 4.24 0.00 2.18 2.15 0.00 3.37 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 26 G 6.95 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.34 4.81 0.00 3.13 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 28 K 9.04 3.94 0.00 1.90 2.00 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 29 G 7.80 4.16 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 0.00 0.00 0.00 30 G 8.59 4.80 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 31 H 9.28 5.13 0.00 3.23 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.99 4.92 0.00 2.94 3.27 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 33 G 10.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.24 0.00 4.83 4.26 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 35 F 8.95 4.37 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 3.49 0.71 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 0.00 0.00 37 N 8.10 4.97 0.00 2.84 2.93 0.00 0.00 7.36 7.72 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 38 V 7.94 3.90 2.13 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 0.73 0.00 0.00 1.07 0.00 0.00 39 N 8.02 5.04 0.00 2.73 1.95 0.00 0.00 6.98 7.76 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 40 C 8.50 4.71 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.89 5.05 0.00 3.09 2.97 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 42 C 9.24 4.83 0.00 2.22 2.41 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 0.00 43 E 8.95 4.49 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 44 T 8.65 4.36 4.34 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 1.36 0.00 0.00