NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4315 8.2893 118.1969 55.1232 33.3053 175.6962 2 E 4.0556 7.9633 116.1573 54.1669 30.4647 173.5109 3 E 4.1481 8.8400 117.1932 58.7201 31.1898 178.2007 4 L 3.9055 8.1503 125.2820 54.4858 41.3871 176.5565 5 Q 4.7100 8.5956 131.5520 56.1403 28.4075 176.5511 6 D 4.8758 8.8430 112.8438 54.2372 43.8174 176.0563 7 D 4.9490 7.9581 119.5821 53.0973 40.5260 176.2152 8 Y 5.0817 7.5821 118.7399 56.0985 42.0921 173.3399 9 E 4.5554 8.7188 123.7839 54.3284 33.1700 175.7309 10 D 5.3460 8.3433 119.2460 53.3436 37.9799 176.1517 11 M 4.8938 7.8129 113.0703 56.5561 33.0807 174.5934 12 M 4.5214 8.3285 115.1161 54.7589 33.0129 176.5676 13 E 4.0309 8.3979 119.1804 59.3411 29.8055 177.9591 14 E 4.2293 8.0568 114.6039 57.8202 30.7516 175.5138 15 N 4.4659 7.9956 121.2589 53.4506 39.0467 174.2184 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 M 8.29 4.43 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 E 7.96 4.06 0.00 2.18 2.02 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 2.30 2.43 0.00 3 E 8.84 4.15 0.00 2.23 2.19 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 2.28 2.38 0.00 4 L 8.15 3.91 0.00 1.37 1.52 0.55 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.60 4.71 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 6 D 8.84 4.88 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.95 0.00 2.67 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 8 Y 7.58 5.08 0.00 2.78 2.79 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 9 E 8.72 4.56 0.00 1.99 1.81 0.00 0.00 0.00 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 2.30 0.00 10 D 8.34 5.35 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.81 4.89 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 12 M 8.33 4.52 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 13 E 8.40 4.03 0.00 1.99 2.13 0.00 0.00 0.00 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 2.47 0.00 14 E 8.06 4.23 0.00 2.07 2.07 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 2.23 2.23 0.00 15 N 8.00 4.47 0.00 2.69 2.71 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00