NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5672 8.2227 120.1908 53.6266 42.5736 175.8230 3 L 3.7762 8.6741 125.8812 58.2093 42.1277 177.7756 4 Q 4.1528 9.0900 118.7973 58.9719 29.3274 177.9908 5 T 3.8898 8.9467 117.2503 66.6415 68.6519 176.2367 6 L 4.1942 8.6832 121.7406 56.8829 41.9243 177.5784 7 C 4.5633 7.7028 117.5611 59.4085 43.5581 173.5889 8 C 4.5601 7.5860 118.5883 60.0885 31.1554 173.1324 9 T 4.4504 7.4430 113.4404 65.1289 71.3485 174.8763 10 D 4.3107 8.7899 122.8894 56.9991 41.8874 176.5247 11 G 4.2285 7.7472 105.7877 44.2872 0.0000 173.4598 12 C 5.0820 8.4643 117.6995 54.9054 37.2806 174.9281 13 S 4.6632 9.5731 120.5756 57.4576 65.1796 175.3934 14 M 4.0351 8.4718 122.4650 59.1587 31.9959 178.3661 15 T 3.8721 7.8805 109.3467 65.1070 68.6379 175.8993 16 D 4.3781 8.0169 120.1937 57.0374 41.1728 178.3431 17 L 4.1571 7.7705 119.0569 57.8258 41.7464 179.6802 18 S 4.1762 8.1599 114.9489 61.3401 62.4839 176.4579 19 A 4.0875 7.7166 122.4965 54.2938 18.1812 178.6249 20 L 4.2044 7.6395 117.4887 56.6649 42.4037 176.2347 21 C 4.2947 7.6231 120.3021 60.1483 28.1723 173.1985 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 2 D 8.22 4.57 0.00 2.77 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 3 L 8.67 3.78 0.00 1.74 1.69 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.09 4.15 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 5 T 8.95 3.89 4.46 0.00 0.00 0.00 0.00 0.00 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 6 L 8.68 4.19 0.00 1.78 1.67 0.92 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.70 4.56 0.00 3.25 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 8 C 7.59 4.56 0.00 3.04 2.89 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 0.00 0.00 0.00 9 T 7.44 4.45 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 10 D 8.79 4.31 0.00 2.57 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 11 G 7.75 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 5.08 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.57 4.66 0.00 3.93 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 14 M 8.47 4.04 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 15 T 7.88 3.87 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 16 D 8.02 4.38 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.16 0.00 1.79 1.71 0.92 0.86 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 18 S 8.16 4.18 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.72 4.09 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 20 L 7.64 4.20 0.00 1.65 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 C 7.62 4.29 0.00 3.25 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