NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2891 8.4444 120.2264 55.6521 32.1260 175.2018 2 L 4.2305 7.6644 122.2095 54.3350 42.6972 171.8208 3 V 4.3325 8.9506 124.9814 61.6020 35.5452 173.2263 4 M 4.9074 8.7449 128.2824 54.3893 33.3966 175.7515 5 T 4.5816 8.6811 120.9840 61.9150 71.2504 173.8516 6 Q 5.0803 8.5416 125.1898 55.4244 31.3181 175.2835 7 T 4.5128 8.0885 114.2434 62.3639 73.6479 172.2896 8 P 4.7018 0.0000 0.0000 61.8043 32.6784 175.9550 9 L 4.1136 8.2960 119.6932 56.9610 42.2309 176.2044 10 S 4.6818 7.5912 110.4521 56.4051 65.5719 173.1376 11 L 4.1579 8.1025 125.4736 53.8656 43.0507 172.9856 12 P 4.6666 0.0000 0.0000 61.3920 31.7522 176.0218 13 V 4.5192 8.0657 116.1670 59.3844 35.1414 175.4007 14 S 4.4724 8.3522 118.6835 56.9267 63.8642 173.4227 15 L 3.9193 8.4879 125.9067 57.3464 41.8412 176.4736 16 G 4.0526 8.9934 114.3043 45.7474 0.0000 173.2989 17 D 4.6309 8.1085 118.5432 53.7888 42.1119 174.6202 18 Q 4.6069 8.4711 119.6631 54.6594 31.1735 175.0135 19 A 4.8211 8.4133 126.6287 50.2819 21.6650 175.4625 20 S 4.7581 8.4133 114.9594 56.4748 65.5839 173.3385 21 I 4.7433 8.1223 125.7688 59.6931 41.3152 174.5555 22 S 4.8817 8.6615 118.9997 56.8982 66.4329 172.6570 23 C 5.0294 8.6918 122.1097 55.2315 46.3000 172.9687 24 R 4.8185 8.7721 126.5494 54.4510 31.9107 176.6732 25 S 4.9705 8.6259 119.0926 57.4962 64.5404 174.3246 26 S 4.5327 8.3664 114.7170 60.5696 64.3284 173.9944 27 Q 4.5922 7.6790 116.7383 54.7288 31.3852 173.0085 *271 S 4.3721 8.5202 111.7616 58.3759 63.1830 173.6875 272 I 4.4796 8.1134 120.3052 60.6674 38.2556 176.9599 273 V 3.9429 7.2798 119.2866 64.1254 29.8443 174.0888 274 H 3.7565 8.1570 118.5873 56.3773 30.2514 174.2552 275 S 4.2173 7.6981 121.1042 57.4581 63.2276 173.7163 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 E 8.44 4.29 0.00 1.97 1.97 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 2.21 2.31 0.00 2 L 7.66 4.23 0.00 1.66 1.60 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.95 4.33 2.08 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 0.96 0.00 0.00 0.98 0.00 0.00 4 M 8.74 4.91 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 5 T 8.68 4.58 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 6 Q 8.54 5.08 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 7 T 8.09 4.51 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 8 P 0.00 4.70 0.00 2.36 2.07 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 9 L 8.30 4.11 0.00 1.63 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.59 4.68 0.00 3.81 3.66 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 11 L 8.10 4.16 0.00 1.57 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.67 0.00 2.07 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 13 V 8.07 4.52 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 14 S 8.35 4.47 0.00 4.09 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 15 L 8.49 3.92 0.00 1.59 1.64 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.99 4.05 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 0.00 17 D 8.11 4.63 0.00 2.73 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 18 Q 8.47 4.61 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 19 A 8.41 4.82 1.21 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 0.00 0.00 20 S 8.41 4.76 0.00 3.78 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 21 I 8.12 4.74 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 1.41 0.78 0.91 0.00 0.00 22 S 8.66 4.88 0.00 3.75 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 23 C 8.69 5.03 0.00 2.92 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 24 R 8.77 4.82 0.00 1.77 1.81 0.00 3.33 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 25 S 8.63 4.97 0.00 3.90 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 26 S 8.37 4.53 0.00 4.00 4.22 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 27 Q 7.68 4.59 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 *271 S 8.52 4.37 0.00 3.88 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 0.00 272 I 8.11 4.48 1.88 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 1.30 0.83 0.99 0.00 0.00 273 V 7.28 3.94 2.08 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 0.77 0.00 0.00 0.94 0.00 0.00 274 H 8.16 3.76 0.00 3.18 3.18 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 7.70 4.22 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.