NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1071 8.0093 120.7866 61.0905 39.0477 174.5648 2 T 4.4119 8.3697 117.7912 59.3141 70.8552 172.1243 3 A 4.8007 8.8565 126.4822 49.8834 23.0029 177.5817 4 K 4.2114 8.3797 119.4537 55.4338 32.8473 175.6620 5 P 4.2968 0.0000 0.0000 62.1569 31.8518 176.3868 6 A 3.9728 8.5990 123.1956 52.8980 18.4980 178.3958 7 K 4.1933 8.7227 122.6484 59.2377 32.6741 177.9130 8 T 4.6550 7.3458 107.4257 58.4995 68.6358 171.1112 9 P 4.1509 0.0000 0.0000 64.1926 32.2913 176.4075 10 T 4.9741 8.4032 118.0180 60.9066 69.2027 175.2337 11 S 4.3613 8.4288 122.0429 57.4078 65.0562 172.8831 12 P 4.1903 0.0000 0.0000 65.8892 30.8089 178.8067 13 K 3.9846 7.9232 117.7349 59.2743 32.4047 178.5668 14 E 3.9731 8.2780 118.9410 59.5998 29.3975 179.4043 15 Q 4.0114 8.3282 117.8728 58.7816 28.6961 178.6385 16 A 3.9692 7.7283 121.8636 55.0175 18.3325 179.8545 17 I 3.7495 7.6393 118.7604 64.3991 37.2309 178.7075 18 G 3.6897 8.0256 106.6564 47.7150 0.0000 175.5073 19 L 3.8270 7.9288 122.6127 57.9164 42.1573 178.8723 20 S 4.0384 7.7807 115.1599 61.8984 62.8247 177.1628 21 V 3.6633 8.2557 120.9559 66.1737 30.9165 178.1560 22 T 4.0392 8.0540 115.5347 66.9567 68.3445 176.7266 23 F 4.3754 8.9098 120.0149 60.5424 38.8375 177.8410 24 L 4.1684 8.3371 119.1594 57.5932 41.2181 179.4370 25 S 4.1924 8.1893 113.2858 60.6730 63.1589 176.3326 26 F 4.1658 8.0507 120.6870 60.4365 38.8451 177.8112 27 L 4.1711 8.2944 118.6079 57.3631 41.4306 179.4898 28 L 4.0502 8.2456 119.1890 57.4725 41.7851 177.8177 29 P 4.3291 0.0000 0.0000 65.5856 31.3955 178.6239 30 A 4.2477 7.6850 117.0555 55.0796 18.2175 179.8667 31 G 3.6834 8.5884 104.6565 47.5687 0.0000 175.4831 32 W 4.2521 8.7281 131.2057 60.5311 30.5422 178.2999 33 V 3.8439 7.8836 116.2001 65.9773 31.3984 177.7778 34 L 4.1396 8.2527 118.7430 57.9431 41.3322 178.4163 35 Y 3.9331 7.9790 118.5935 61.1643 38.6113 177.4570 36 H 4.1928 7.5928 114.2302 55.7589 28.5499 177.2428 37 L 4.0662 7.4736 124.1242 57.6589 41.1720 178.9771 38 D 4.2107 7.6241 117.7820 57.2885 41.0813 177.7887 39 N 4.2829 7.2123 114.2886 55.9614 38.4560 176.2458 40 Y 4.7250 6.9447 117.1729 59.9226 38.4448 176.3147 41 K 3.9849 7.9551 119.4412 58.3621 32.5113 178.1988 42 K 4.3712 8.1011 125.6038 55.3266 31.3572 177.0249 43 S 4.2356 7.4786 119.2822 59.3336 63.7055 175.4724 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 I 8.01 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.37 4.41 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 3 A 8.86 4.80 1.22 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 0.00 0.00 4 K 8.38 4.21 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.30 0.00 2.04 1.99 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.60 3.97 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 7 K 8.72 4.19 0.00 1.76 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.35 4.65 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 9 P 0.00 4.15 0.00 2.05 2.05 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 10 T 8.40 4.97 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 1.23 0.00 0.00 11 S 8.43 4.36 0.00 4.04 3.99 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 12 P 0.00 4.19 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 7.92 3.98 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.28 3.97 0.00 2.22 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 2.32 2.35 0.00 15 Q 8.33 4.01 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 16 A 7.73 3.97 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 17 I 7.64 3.75 2.03 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 1.44 0.64 0.91 0.00 0.00 18 G 8.03 3.69 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 0.00 0.00 0.00 19 L 7.93 3.83 0.00 1.75 1.48 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.78 4.04 0.00 4.06 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 21 V 8.26 3.66 2.17 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 1.07 0.00 0.00 1.01 0.00 0.00 22 T 8.05 4.04 4.65 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 1.49 0.00 0.00 23 F 8.91 4.38 0.00 3.24 3.16 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 24 L 8.34 4.17 0.00 2.00 1.78 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.19 4.19 0.00 3.99 4.03 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 26 F 8.05 4.17 0.00 3.28 3.08 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 0.00 0.00 0.00 0.00 27 L 8.29 4.17 0.00 1.78 1.77 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.25 4.05 0.00 1.80 1.76 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.33 0.00 2.18 2.09 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 30 A 7.69 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.73 4.25 0.00 3.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.84 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 1.07 0.00 0.00 1.31 0.00 0.00 34 L 8.25 4.14 0.00 2.04 1.74 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.98 3.93 0.00 2.95 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 36 H 7.59 4.19 0.00 2.56 2.30 0.00 5.87 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.47 4.07 0.00 1.74 1.65 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.62 4.21 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.21 4.28 0.00 2.39 2.74 0.00 0.00 7.07 7.34 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 40 Y 6.94 4.72 0.00 3.06 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 41 K 7.96 3.98 0.00 1.82 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.41 7.81 42 K 8.10 4.37 0.00 1.68 1.74 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 43 S 7.48 4.24 0.00 4.12 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