NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0235 8.0093 121.4468 60.6369 38.4133 175.3824 4 P 4.5451 0.0000 0.0000 60.8969 32.6833 172.3787 5 E 4.0449 8.9018 119.8260 56.2617 30.7036 178.3683 6 A 3.3754 7.5760 124.0798 50.4581 19.1150 175.7473 7 P 4.1838 0.0000 0.0000 63.2261 31.9732 178.1169 8 R 4.2884 8.1255 122.0101 54.8510 27.9117 174.7020 9 D 4.5135 7.0413 117.7907 54.2158 43.6845 176.3561 *11 Q 4.0109 7.6208 119.6127 54.6007 30.3744 174.3476 12 A 4.6511 7.9609 121.1316 51.1989 20.6170 175.9494 13 Y 5.2091 8.5616 118.7297 56.2941 41.8870 175.1225 14 V 4.8643 9.1864 114.8299 59.8527 35.9000 174.7543 15 R 4.7542 8.5047 120.6544 54.7908 31.3864 176.6184 16 K 4.2311 8.6989 121.4573 56.8506 34.6793 176.1546 *19 E 4.0695 7.8164 116.4695 55.6911 30.5735 174.2622 20 W 5.2978 8.4864 121.2777 56.2733 30.2961 176.0395 21 V 4.8838 9.3696 123.7558 60.7000 35.2416 174.5953 22 L 3.7078 8.6806 126.1171 55.1373 42.1947 177.5821 23 L 4.1335 8.9568 126.3034 58.7099 41.9050 179.6788 24 S 4.2165 7.9707 112.7142 61.1925 62.6919 176.1349 25 T 3.6474 7.4779 118.7768 65.8159 68.1012 175.2253 26 F 4.6949 7.8928 117.0325 57.3956 39.8493 175.8160 27 L 4.2691 7.5241 123.6601 54.9057 41.5552 176.4541 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 3 I 8.01 4.02 1.88 0.00 0.00 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 1.28 0.98 0.84 0.00 0.00 4 P 0.00 4.55 0.00 2.38 2.13 0.00 3.72 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 2.25 2.12 0.00 5 E 8.90 4.04 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 6 A 7.58 3.38 0.11 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.18 0.00 1.96 1.90 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.85 0.00 8 R 8.13 4.29 0.00 1.77 1.87 0.00 3.14 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 9 D 7.04 4.51 0.00 2.76 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 *11 Q 7.62 4.01 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 12 A 7.96 4.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 5.21 0.00 2.54 3.09 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 0.00 14 V 9.19 4.86 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 0.92 0.00 0.00 1.04 0.00 0.00 15 R 8.50 4.75 0.00 1.59 1.55 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.96 0.00 16 K 8.70 4.23 0.00 1.69 1.84 0.00 2.19 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.40 7.81 *19 E 7.82 4.07 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 20 W 8.49 5.30 0.00 3.04 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 21 V 9.37 4.88 2.51 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 1.14 0.00 0.00 1.14 0.00 0.00 22 L 8.68 3.71 0.00 1.49 1.38 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.96 4.13 0.00 1.78 1.76 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.97 4.22 0.00 4.04 4.06 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 25 T 7.48 3.65 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 26 F 7.89 4.69 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.27 0.00 1.59 1.59 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.