NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5009 8.3044 118.3386 55.6033 32.8804 174.7569 2 C 4.8992 8.1879 120.0516 52.5935 44.8302 171.2650 3 M 4.2542 8.5479 117.3275 54.8801 32.0945 175.9140 4 P 4.7808 0.0000 0.0000 63.2722 31.7495 176.3830 5 C 5.0643 8.7083 108.7566 55.4609 40.5016 174.5209 6 F 4.5789 7.8077 120.5337 56.6044 40.2073 174.8259 7 T 4.6640 7.6180 115.5084 62.7320 72.3114 176.1134 8 T 3.2942 8.3736 113.0275 63.3740 69.2990 169.4157 9 D 4.7644 7.9217 114.6733 56.6987 47.3800 176.0884 10 H 4.7572 7.9349 112.4716 56.2716 29.5365 175.9761 11 Q 4.6449 7.4981 117.5500 55.5379 29.8892 172.9355 12 M 4.3053 7.9245 120.0226 57.3352 34.3714 176.6907 13 A 4.4016 7.7870 117.2508 52.6743 18.5598 178.1151 14 R 4.2093 7.5065 115.2808 57.7118 30.6194 177.3401 15 K 4.5226 7.6889 114.6221 55.8608 33.7444 178.5339 16 C 4.2298 7.9899 119.9563 59.4781 38.0735 174.1557 17 D 4.8467 7.9302 120.1782 57.1054 40.5553 178.3688 18 D 4.3645 8.0075 117.1697 57.4008 40.8942 178.4988 19 C 4.2607 7.9211 118.2020 60.2355 43.5982 174.8645 20 C 4.4582 7.8919 116.1189 58.1294 39.9599 175.0060 21 G 4.3684 8.0527 118.3405 47.6786 0.0000 172.4237 22 G 3.7377 8.8760 104.3570 44.5845 0.0000 172.6696 23 K 3.7384 9.0453 116.3846 57.3847 30.0089 176.1761 24 G 4.2609 8.7648 102.3691 45.5516 0.0000 174.3711 25 R 4.6542 7.8916 117.3850 54.9558 31.4199 176.1684 26 G 5.0077 7.6343 106.2067 46.1246 0.0000 173.1275 27 K 4.5564 7.4908 125.1145 55.5533 36.4672 175.3596 28 C 4.3660 8.3719 118.7128 55.9701 37.9107 173.2342 29 Y 4.6860 8.3482 123.9419 56.9043 37.8804 177.3535 30 G 3.8955 8.2046 118.1343 46.4803 0.0000 171.3152 31 P 5.1754 0.0000 0.0000 61.5743 32.0415 175.5504 32 Q 4.4319 8.1856 118.7124 56.4287 32.7109 171.4403 33 C 5.0580 8.3325 128.4229 56.1439 46.2332 172.3757 34 L 5.2973 8.3408 124.3701 53.4592 46.4029 174.8400 35 C 5.4031 8.6297 117.4418 54.9424 42.1875 174.5249 36 R 4.1777 8.4276 118.8165 57.1497 29.6168 175.9176 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 8.30 4.50 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 2 C 8.19 4.90 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.55 4.25 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 4 P 0.00 4.78 0.00 2.37 2.24 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 5 C 8.71 5.06 0.00 2.91 2.81 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 0.00 0.00 0.00 6 F 7.81 4.58 0.00 2.98 3.05 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 7 T 7.62 4.66 4.25 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 1.23 0.00 0.00 8 T 8.37 3.29 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 9 D 7.92 4.76 0.00 2.53 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 4.76 0.00 3.12 3.29 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.50 4.64 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 12 M 7.92 4.31 0.00 1.91 1.99 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 2.58 2.41 0.00 13 A 7.79 4.40 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 4.21 0.00 1.82 1.98 0.00 3.14 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 15 K 7.69 4.52 0.00 1.87 1.97 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.54 7.81 16 C 7.99 4.23 0.00 2.96 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 17 D 7.93 4.85 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.36 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.26 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.89 4.46 0.00 3.16 3.24 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 0.00 21 G 8.05 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.05 3.74 0.00 1.91 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.42 7.81 24 G 8.76 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.89 4.65 0.00 2.01 1.94 0.00 3.24 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 26 G 7.63 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.49 4.56 0.00 1.49 0.90 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.32 7.81 28 C 8.37 4.37 0.00 2.83 2.91 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 29 Y 8.35 4.69 0.00 3.30 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.20 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 5.18 0.00 2.19 2.11 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 32 Q 8.19 4.43 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 33 C 8.33 5.06 0.00 3.20 3.16 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 34 L 8.34 5.30 0.00 1.98 1.65 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.63 5.40 0.00 2.90 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.43 4.18 0.00 2.10 1.87 0.00 3.46 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00