NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7149 8.2076 120.5378 54.0654 43.2964 177.5824 2 P 4.1072 0.0000 0.0000 65.4312 31.4108 176.5753 3 C 4.0623 8.6332 117.4646 60.0413 44.7718 175.7673 4 Y 4.3370 8.0401 119.6330 61.1582 38.5450 178.1855 5 E 3.8161 7.9527 119.3121 59.6941 29.6212 179.7561 6 V 3.6851 8.3219 118.0916 66.2830 31.5922 177.2884 7 C 4.3365 8.1659 118.1246 59.4714 43.2163 175.3226 8 L 3.6881 8.0305 121.0727 57.6212 41.2398 179.2325 9 Q 4.1441 7.8049 116.0213 59.2680 29.1451 177.7587 10 Q 4.2354 8.3561 117.1686 56.5587 28.9026 175.5245 11 H 4.4928 7.8616 116.2715 56.1635 34.0932 173.5259 12 G 4.1601 8.5347 105.6416 45.4183 0.0000 171.3283 13 N 4.9275 7.8724 115.6646 51.6245 41.8127 174.6344 14 V 5.3882 8.1692 117.1738 62.7040 34.7663 176.4713 15 K 4.0141 8.7293 121.0433 59.8207 33.3121 178.9383 16 E 3.9071 8.1116 119.4681 59.5579 29.4285 179.6452 17 C 4.3026 8.1102 117.7013 59.6356 42.1657 175.0316 18 E 3.8532 8.4999 120.6174 59.7326 29.0579 179.4423 19 E 4.0817 8.4116 118.4685 59.2797 29.3794 179.0932 20 A 4.1817 8.2356 119.4048 54.3205 18.4817 177.8676 21 C 4.3971 8.2625 118.0540 58.8841 43.8746 174.5752 22 K 4.0388 7.3316 115.2236 58.0747 33.0685 176.8287 23 H 4.5270 7.6513 116.6612 54.7140 29.2041 174.1477 24 P 4.5387 0.0000 0.0000 61.0464 29.9420 176.0139 25 V 3.7073 7.9778 125.1180 62.6525 31.9178 176.7934 26 E 4.1899 8.6063 119.6949 56.7632 29.4809 176.3637 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 8.21 4.71 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.11 0.00 2.36 2.32 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 3 C 8.63 4.06 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.34 0.00 3.04 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 5 E 7.95 3.82 0.00 2.30 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 2.31 2.37 0.00 6 V 8.32 3.69 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 0.95 0.00 0.00 0.96 0.00 0.00 7 C 8.17 4.34 0.00 3.10 3.02 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 8 L 8.03 3.69 0.00 1.47 1.54 0.72 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.80 4.14 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.17 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 10 Q 8.36 4.24 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 11 H 7.86 4.49 0.00 3.14 3.11 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.53 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 13 N 7.87 4.93 0.00 2.76 2.85 0.00 0.00 6.86 7.62 0.00 0.00 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 8.17 5.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.07 0.00 0.00 15 K 8.73 4.01 0.00 1.96 2.02 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.46 7.81 16 E 8.11 3.91 0.00 2.02 2.04 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 2.40 2.32 0.00 17 C 8.11 4.30 0.00 3.10 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.85 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 19 E 8.41 4.08 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 20 A 8.24 4.18 1.39 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 0.00 0.00 21 C 8.26 4.40 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.04 0.00 1.89 1.92 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.62 7.81 23 H 7.65 4.53 0.00 3.29 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.54 0.00 2.15 2.07 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 25 V 7.98 3.71 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 26 E 8.61 4.19 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00