NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2489 8.1749 117.3736 63.5492 69.8053 172.6463 3 S 4.6798 7.9277 120.1867 56.8307 67.0546 171.5688 4 Y 4.6404 8.9501 119.1031 57.3810 42.4744 174.5802 5 T 4.8466 8.3052 119.7490 61.9686 72.7644 172.9449 6 L 4.7531 8.1384 123.6938 53.8919 45.2401 174.8401 7 N 5.1471 8.2757 120.5031 52.1474 42.6412 173.2654 8 E 4.6769 8.2745 117.6880 55.8999 33.4488 174.8636 9 V 4.2265 8.1777 120.5799 61.5605 32.7003 176.5319 10 V 4.3802 7.9699 126.8253 60.0283 31.8221 172.1487 11 P 4.5360 0.0000 0.0000 62.1826 29.7671 176.9157 12 L 4.3233 8.5206 127.5320 58.4148 41.8226 179.3273 13 K 4.1290 7.9764 117.0305 57.8741 32.2186 176.7502 14 E 4.1000 8.0751 117.0902 57.6359 30.1641 176.8633 15 F 4.8887 7.7877 115.5831 57.7775 40.7367 176.0164 16 V 4.5269 7.5087 111.7951 58.4161 34.0837 173.4331 17 P 4.5685 0.0000 0.0000 62.2723 32.0084 176.7841 18 E 3.9922 8.8628 118.5462 58.7693 29.4389 177.8749 19 W 4.6968 7.9748 116.4402 55.0728 31.2344 175.2828 20 V 4.6628 8.1543 113.6767 60.3014 35.4424 174.2227 21 R 4.6798 8.3171 118.8880 54.4552 33.2580 175.2642 22 I 4.3682 7.7610 114.9099 59.4013 39.7927 175.2371 23 G 3.7101 7.3180 108.3986 45.7543 0.0000 172.1016 24 F 4.9047 8.3265 116.7434 55.6761 42.2081 174.4942 25 S 4.6288 8.1363 114.6901 57.1994 65.3893 172.6639 26 A 4.4221 7.9736 125.1778 52.1398 21.4819 175.6981 27 T 4.3852 7.6078 107.6574 61.2104 70.8688 172.4078 28 T 4.8888 8.2334 112.3190 60.4031 72.7431 173.7362 29 G 3.7676 8.4443 112.7691 44.6396 0.0000 176.1256 30 A 3.7947 8.9214 125.5285 54.1587 18.7399 177.0764 31 E 4.5959 7.6595 114.4672 54.5447 32.4563 174.7384 32 F 5.1695 6.7383 113.3790 55.8923 40.9403 173.4780 33 A 4.5626 8.1716 121.5150 51.1464 21.6164 176.2484 34 A 4.3424 8.3951 123.8905 52.0922 19.4058 177.0300 35 H 4.8319 8.5740 117.1692 53.9859 31.8979 173.2054 36 E 4.6181 8.5064 122.6916 54.5281 33.3791 174.8240 37 V 4.1692 8.0584 121.7174 61.2412 33.2820 175.3439 38 L 4.6084 8.0010 124.1702 55.0248 43.4142 176.1383 39 S 4.6786 7.5922 110.4102 57.8165 65.1058 174.3980 40 W 5.0534 8.4549 128.0050 56.9339 33.2537 172.7307 41 Y 4.6952 8.9669 126.3161 55.7196 41.0700 174.1381 42 F 4.5204 6.9275 126.4819 57.0041 42.5059 172.8504 43 H 4.4895 7.1466 125.5331 54.4927 32.6864 172.3669 44 S 4.4601 7.7065 119.5742 56.8780 66.1147 172.6326 45 E 4.5823 8.1099 116.9421 55.3220 31.8156 174.8292 46 L 4.1664 8.0240 122.2703 53.9956 44.2189 175.1858 47 A 4.2928 8.5233 129.3888 51.8508 19.3338 177.1816 48 G 3.7236 8.3259 107.2393 45.7770 0.0000 173.1525 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 2 T 8.17 4.25 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 1.21 0.00 0.00 3 S 7.93 4.68 0.00 3.80 3.73 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 4 Y 8.95 4.64 0.00 2.90 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 5 T 8.31 4.85 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 1.24 0.00 0.00 6 L 8.14 4.75 0.00 1.56 1.51 0.94 0.91 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 7 N 8.28 5.15 0.00 2.70 2.65 0.00 0.00 6.81 7.66 0.00 0.00 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 8.27 4.68 0.00 1.92 1.82 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 2.21 2.21 0.00 9 V 8.18 4.23 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 0.86 0.00 0.00 0.95 0.00 0.00 10 V 7.97 4.38 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 0.83 0.00 0.00 1.00 0.00 0.00 11 P 0.00 4.54 0.00 2.16 2.26 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 12 L 8.52 4.32 0.00 1.76 1.84 0.97 0.83 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 13 K 7.98 4.13 0.00 1.66 1.76 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 E 8.08 4.10 0.00 1.16 1.16 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 2.06 2.05 0.00 15 F 7.79 4.89 0.00 3.09 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 16 V 7.51 4.53 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 0.79 0.00 0.00 1.06 0.00 0.00 17 P 0.00 4.57 0.00 2.31 2.07 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 E 8.86 3.99 0.00 2.03 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 2.24 2.32 0.00 19 W 7.97 4.70 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.15 4.66 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 0.75 0.00 0.00 0.96 0.00 0.00 21 R 8.32 4.68 0.00 1.75 1.77 0.00 3.18 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 22 I 7.76 4.37 1.74 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.42 0.82 0.00 0.00 23 G 7.32 3.71 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 0.00 24 F 8.33 4.90 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.63 0.00 3.75 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 26 A 7.97 4.42 1.05 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 0.00 0.00 27 T 7.61 4.39 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 1.19 0.00 0.00 28 T 8.23 4.89 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 G 8.44 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 3.79 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 31 E 7.66 4.60 0.00 1.85 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 32 F 6.74 5.17 0.00 3.11 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 33 A 8.17 4.56 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 34 A 8.40 4.34 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 35 H 8.57 4.83 0.00 3.02 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.51 4.62 0.00 1.83 1.74 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 2.17 2.23 0.00 37 V 8.06 4.17 1.74 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 0.49 0.00 0.00 0.16 0.00 0.00 38 L 8.00 4.61 0.00 1.63 1.69 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.59 4.68 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.45 5.05 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.97 4.70 0.00 3.01 2.92 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 42 F 6.93 4.52 0.00 2.64 2.29 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 43 H 7.15 4.49 0.00 2.98 3.00 0.00 5.94 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.71 4.46 0.00 3.83 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.58 0.00 2.02 1.86 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 2.12 2.26 0.00 46 L 8.02 4.17 0.00 1.46 1.47 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.52 4.29 1.23 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 48 G 8.33 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 0.00 0.00 0.00