NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1368 8.1185 123.5821 52.1258 20.5257 178.4100 *3 A 4.2647 7.9669 124.5122 53.8771 20.7577 179.8411 4 E 3.9472 8.2021 114.6461 59.5330 29.5882 179.1963 5 A 3.9608 8.2742 120.7779 55.1590 18.4228 179.5991 6 A 3.9604 7.9160 118.8111 55.1461 18.4655 179.2375 7 E 3.8803 8.6194 118.3717 59.2422 29.7150 178.9802 8 K 3.9150 8.3130 119.5185 59.4287 32.2093 178.6372 9 A 3.9958 8.1161 120.7501 55.1797 18.2627 179.4308 10 A 3.9802 8.1527 119.3050 55.3759 18.4649 180.0639 11 K 3.9509 8.4327 117.2618 59.5481 32.0409 179.0578 12 Y 3.9419 8.2549 119.7139 60.5625 38.7098 177.6932 13 A 4.0068 8.5390 121.9014 55.2479 18.4124 179.4268 14 A 3.9026 8.3087 119.4147 55.3518 18.4772 179.6502 15 E 3.8114 8.2141 116.8074 59.5088 29.5293 179.5307 16 A 3.8095 7.8856 120.5144 54.9669 18.4154 179.5864 17 A 3.8893 8.1341 119.4510 55.2150 18.4863 179.2657 18 E 3.8788 8.4580 118.2606 59.5811 29.5716 179.3569 19 K 3.9597 8.1671 118.1174 59.2399 31.8576 179.2796 20 A 3.9260 7.8311 119.9706 55.0872 18.4115 179.0468 21 A 4.0730 8.1964 118.4879 55.4969 18.4906 179.7730 22 K 4.1370 7.9424 115.5926 58.9864 32.1749 179.5228 23 A 4.1527 7.8031 119.4036 52.2241 18.4992 177.1968 *25 A 4.0520 8.0615 129.5096 54.0793 19.0372 177.6218 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 A 8.12 4.14 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 *3 A 7.97 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.95 0.00 2.14 2.01 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 2.40 2.32 0.00 5 A 8.27 3.96 1.35 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 0.00 0.00 0.00 6 A 7.92 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 3.88 0.00 2.09 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 0.00 2.32 2.33 0.00 8 K 8.31 3.92 0.00 1.95 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 A 8.12 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 3.95 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 Y 8.25 3.94 0.00 3.10 3.11 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 13 A 8.54 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.81 0.00 1.91 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 2.46 2.42 0.00 16 A 7.89 3.81 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 0.00 0.00 0.00 0.00 0.00 17 A 8.13 3.89 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.46 3.88 0.00 2.05 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 0.00 2.28 2.34 0.00 19 K 8.17 3.96 0.00 1.93 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.58 7.81 20 A 7.83 3.93 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.20 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.14 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.60 7.81 23 A 7.80 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.05 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.