NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6333 8.2185 120.5383 54.0431 42.6069 176.1121 2 A 3.9596 8.6905 126.2517 54.5718 18.4334 177.7316 3 Y 3.8252 8.4978 119.5268 60.5289 39.4202 176.1552 4 A 4.1397 8.2701 121.3787 55.4590 18.4351 179.2895 5 Q 3.9187 7.8592 116.5184 58.8720 29.0686 177.7106 6 W 4.1643 8.6488 129.9902 60.7322 30.6096 177.9215 7 L 3.8275 8.1827 118.4031 57.7243 40.8920 179.4707 8 K 3.8893 7.6951 116.8514 59.8412 32.1481 178.9032 9 D 4.4703 8.0668 117.5494 55.2486 40.9383 177.0479 10 G 3.9184 8.5395 107.6920 44.1266 0.0000 176.5962 11 G 2.0000 7.9486 111.9461 44.7752 0.0000 174.9032 12 P 4.2979 0.0000 0.0000 65.4183 31.6935 178.3848 13 S 4.0638 7.7771 113.7226 61.5804 63.0934 175.8631 14 S 4.1252 7.8471 115.2718 58.8834 62.8506 176.8333 15 G 4.0520 7.7522 107.3271 45.5554 0.0000 174.3325 16 R 3.9524 7.5259 116.2458 55.6974 29.5678 174.8967 17 P 4.3142 0.0000 0.0000 62.0215 31.8258 174.3943 18 P 2.9700 0.0000 0.0000 61.3554 31.6040 174.2078 19 P 4.3093 0.0000 0.0000 62.3853 31.5704 176.4039 20 S 4.2928 8.5207 118.6528 58.6417 62.8326 174.1910 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 D 8.22 4.63 0.00 2.86 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 2 A 8.69 3.96 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 3 Y 8.50 3.83 0.00 3.06 2.99 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 4 A 8.27 4.14 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 5 Q 7.86 3.92 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 6 W 8.65 4.16 0.00 3.28 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 7 L 8.18 3.83 0.00 2.04 1.78 1.23 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.70 3.89 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 D 8.07 4.47 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.92 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 0.00 0.00 0.00 11 G 7.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.30 0.00 2.15 2.18 0.00 3.44 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 13 S 7.78 4.06 0.00 3.74 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 14 S 7.85 4.13 0.00 3.70 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 G 7.75 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 16 R 7.53 3.95 0.00 2.07 2.02 0.00 3.04 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 17 P 0.00 4.31 0.00 2.06 2.06 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 P 0.00 2.97 0.00 1.37 0.49 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 19 P 0.00 4.31 0.00 2.20 2.07 0.00 2.67 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 20 S 8.52 4.29 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00