NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6146 8.4444 120.3911 56.1491 31.2113 174.9668 2 V 3.7780 7.5460 119.3060 61.0607 29.3820 173.0993 3 D 4.3531 7.7029 122.6325 54.3154 42.5595 176.2200 4 K 4.2338 7.8775 117.9736 57.7489 34.3529 174.2476 5 K 3.8525 8.1874 118.2777 57.7445 30.1253 176.8321 6 V 4.0646 7.7959 108.5483 60.1828 30.4492 174.9668 7 A 4.6304 7.7955 125.7195 52.3575 26.3000 178.4974 8 D 4.4032 7.7930 115.0349 57.7661 40.8126 179.1383 9 K 3.8235 8.1923 119.1538 59.8377 31.9988 178.6379 10 V 3.5740 8.0603 118.4970 65.8027 31.3689 177.9462 11 L 3.9618 7.7905 118.4983 57.8155 41.6156 179.3724 12 L 3.8768 8.4417 120.0204 58.7640 40.0831 179.3504 13 L 3.9617 7.8875 119.1511 57.3207 41.6647 179.1610 14 K 4.0814 8.3543 118.4598 59.7503 32.6454 178.8960 15 Q 4.0636 9.3001 118.4419 58.9617 28.4390 180.0525 16 L 3.4288 7.9089 120.2284 56.7158 43.4245 178.2476 17 R 3.8923 7.8513 116.4674 59.5259 30.3096 178.7874 18 I 3.7156 7.8564 118.7557 64.8989 37.0369 177.9144 19 M 3.9758 8.5231 119.1953 58.6977 31.9668 178.4568 20 R 3.9168 8.1259 115.4275 59.2288 29.5645 178.4932 21 L 4.1087 8.1169 119.2012 57.6462 41.7486 178.8148 22 L 4.0609 8.1840 119.4751 57.8635 42.5676 177.9802 23 T 4.8281 8.9344 116.9815 60.9008 67.7552 174.6221 24 R 4.9250 8.6877 114.9615 56.9007 37.7400 174.3723 25 L 4.0660 7.6632 120.9701 56.2205 39.9068 174.6030 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 H 8.44 4.61 0.00 3.14 3.33 0.00 5.69 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.55 3.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 3 D 7.70 4.35 0.00 2.73 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 4 K 7.88 4.23 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.21 7.81 5 K 8.19 3.85 0.00 1.95 1.91 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 6 V 7.80 4.06 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 0.70 0.00 0.00 0.94 0.00 0.00 7 A 7.80 4.63 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.40 0.00 2.78 2.77 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 9 K 8.19 3.82 0.00 1.81 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 10 V 8.06 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 11 L 7.79 3.96 0.00 1.97 1.70 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.44 3.88 0.00 1.86 1.93 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.89 3.96 0.00 1.83 1.77 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.35 4.08 0.00 1.69 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 15 Q 9.30 4.06 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.10 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 16 L 7.91 3.43 0.00 2.07 1.66 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.85 3.89 0.00 1.89 1.96 0.00 3.21 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 18 I 7.86 3.72 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.91 0.00 0.00 19 M 8.52 3.98 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 20 R 8.13 3.92 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 21 L 8.12 4.11 0.00 1.80 1.77 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.18 4.06 0.00 1.64 1.87 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.93 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 24 R 8.69 4.92 0.00 1.78 1.94 0.00 3.41 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 25 L 7.66 4.07 0.00 1.71 1.57 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00