NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3020 8.2549 119.7020 55.0020 31.2726 177.0470 5 E 5.7235 9.9686 135.0000 60.7922 31.7198 177.2095 6 C 4.3976 9.0625 120.8127 58.4204 42.8888 170.9301 7 D 4.7149 8.1016 130.5918 55.3372 39.9677 174.0280 8 Y 4.5677 7.5686 115.0250 59.1845 43.6122 173.0882 9 C 4.4848 8.3478 124.7804 55.8999 43.2643 174.0923 10 G 3.7423 8.8934 112.8055 46.9062 0.0000 173.6333 11 T 4.3744 6.8456 112.2563 62.6897 67.7729 175.1192 12 D 5.3924 8.2583 130.5288 54.3934 42.1898 175.7010 13 I 3.9426 7.7209 118.7849 62.1924 40.9061 172.2875 14 E 3.8950 8.4140 126.0990 57.6341 27.9712 172.0662 15 P 4.3020 0.0000 0.0000 58.1984 35.0921 177.5753 16 G 4.1633 8.4477 108.6520 45.6785 0.0000 174.3138 17 T 4.4765 9.9335 108.8564 62.2435 72.6231 175.8093 18 G 4.0438 8.1799 112.0782 45.1301 0.0000 172.3739 19 T 3.9919 7.4905 116.1585 61.8071 69.8202 171.6705 20 M 4.8493 8.4454 121.6078 53.5760 33.3869 175.5671 21 F 4.9027 8.8622 124.3113 59.1137 40.4990 175.0682 22 V 4.4984 8.1658 109.3292 62.4226 34.8536 171.2526 23 H 4.9772 8.6291 118.2641 53.2165 31.6322 172.7737 24 K 4.1795 8.3488 119.8538 57.2769 32.3151 175.6819 25 D 4.6818 8.6318 121.2813 54.5320 37.6768 176.5134 26 G 3.8565 8.1752 104.1665 46.0032 0.0000 174.4407 27 A 4.3549 7.1883 122.0606 51.7065 20.0084 175.7072 28 T 4.4581 7.1775 106.3931 63.0485 70.9703 173.1917 29 T 4.7412 7.9187 115.6167 62.1874 68.1926 171.6252 30 H 4.2707 7.5316 123.6468 57.7810 30.2731 174.7910 31 F 5.2943 8.5075 117.5226 56.9499 43.5460 171.5462 32 C 4.8677 9.1575 119.0666 55.9156 40.0858 177.3373 33 S 4.6169 8.9341 115.2313 56.5590 63.4159 173.2172 34 S 4.4819 8.4357 115.1578 58.8296 62.1721 174.3151 35 K 4.2317 7.4491 117.6325 58.8260 32.5538 176.9025 36 C 4.4128 8.2592 115.7469 57.4296 37.6152 176.9203 37 E 3.3313 7.9033 119.7915 55.5105 32.8471 181.0299 38 N 3.2979 8.2171 105.8103 52.1874 41.2512 176.4418 39 N 3.7583 12.0000 114.6851 56.0937 38.9114 176.4754 40 A 4.0350 8.0949 125.4704 55.9420 19.0938 179.3833 41 D 4.4450 7.7623 115.2619 56.1574 41.0560 177.6467 42 L 4.5278 8.1016 118.5827 53.8778 42.9839 177.9711 *44 R 5.0311 8.1461 113.4958 54.8568 30.5910 175.4927 45 E 4.3945 8.7016 117.4481 53.3126 31.9266 174.1890 46 A 3.8207 8.3782 129.4455 55.4769 18.7210 176.6981 47 R 4.0025 7.6269 112.8629 57.6906 30.6314 175.2294 48 N 4.4789 9.5719 122.1920 53.2998 34.2811 175.1286 49 L 4.1181 9.0804 119.7198 55.5162 44.1598 173.1563 50 E 4.5449 9.1193 122.0566 56.9090 29.3548 178.8989 51 W 3.5417 9.4013 109.9903 59.0222 31.1316 174.6742 52 T 4.7186 10.7500 115.0408 61.7682 68.0282 175.4438 53 D 4.8235 8.8296 121.2000 54.6421 41.0788 176.6163 54 T 4.3585 7.4864 111.8764 62.8598 69.3965 175.6778 55 A 4.4382 6.3696 126.4038 52.0016 17.8381 178.7332 56 R 4.1922 7.7212 124.8672 56.7982 30.1294 177.5135 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 4 R 8.25 4.30 0.00 1.79 1.78 0.00 3.12 0.00 0.00 3.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 5 E 9.97 5.72 0.00 2.12 2.22 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 2.10 2.30 0.00 6 C 9.06 4.40 0.00 3.04 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 7 D 8.10 4.71 0.00 2.74 2.56 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 0.00 0.00 0.00 0.00 8 Y 7.57 4.57 0.00 2.84 2.91 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 9 C 8.35 4.48 0.00 3.23 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 11 T 6.85 4.37 4.35 0.00 0.00 0.00 0.00 0.00 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 12 D 8.26 5.39 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 13 I 7.72 3.94 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.27 0.93 0.00 0.00 14 E 8.41 3.90 0.00 2.20 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 0.00 2.24 2.35 0.00 15 P 0.00 4.30 0.00 2.20 1.99 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 16 G 8.45 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 17 T 9.93 4.48 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 18 G 8.18 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 3.99 4.21 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 1.14 0.00 0.00 20 M 8.45 4.85 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 21 F 8.86 4.90 0.00 3.46 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 22 V 8.17 4.50 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 0.90 0.00 0.00 1.05 0.00 0.00 23 H 8.63 4.98 0.00 3.14 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.35 4.18 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 D 8.63 4.68 0.00 2.93 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 26 G 8.18 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 27 A 7.19 4.35 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.18 4.46 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 1.15 0.00 0.00 29 T 7.92 4.74 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 30 H 7.53 4.27 0.00 3.20 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.51 5.29 0.00 3.12 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 32 C 9.16 4.87 0.00 3.14 2.27 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 S 8.93 4.62 0.00 3.92 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 34 S 8.44 4.48 0.00 3.85 3.83 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 35 K 7.45 4.23 0.00 1.87 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 C 8.26 4.41 0.00 3.12 3.24 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 37 E 7.90 3.33 0.00 1.70 1.57 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 0.00 2.19 2.25 0.00 38 N 8.22 3.30 0.00 3.05 3.17 0.00 0.00 7.37 6.84 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 39 N 12.00 3.76 0.00 3.00 2.76 0.00 0.00 7.08 7.81 0.00 0.00 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 A 8.09 4.03 1.47 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 0.00 0.00 41 D 7.76 4.45 0.00 2.57 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 42 L 8.10 4.53 0.00 1.68 1.61 0.88 0.56 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 *44 R 8.15 5.03 0.00 1.92 1.84 0.00 2.57 0.00 0.00 3.79 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 45 E 8.70 4.39 0.00 1.85 1.83 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 2.11 2.48 0.00 46 A 8.38 3.82 1.02 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 0.00 0.00 47 R 7.63 4.00 0.00 2.05 1.93 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 48 N 9.57 4.48 0.00 2.89 3.28 0.00 0.00 6.18 7.79 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 49 L 9.08 4.12 0.00 1.65 1.95 1.24 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.12 4.54 0.00 2.12 1.54 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 2.38 2.38 0.00 51 W 9.40 3.54 0.00 3.46 3.55 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 0.00 0.00 0.00 52 T 10.75 4.72 4.47 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 1.41 0.00 0.00 53 D 8.83 4.82 0.00 2.93 2.64 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 54 T 7.49 4.36 4.91 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 1.54 0.00 0.00 55 A 6.37 4.44 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.72 4.19 0.00 1.80 1.84 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.