NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3683 8.2893 120.3374 53.7736 34.4975 176.2507 2 D 5.5192 7.0337 128.6734 52.9913 40.1759 174.7729 3 I 4.6134 7.1097 120.3919 60.9525 43.2615 176.7558 4 Y 5.2859 9.1299 123.0977 56.1582 38.4516 172.7467 5 V 4.9168 7.8524 120.0983 60.8337 32.9072 174.8682 6 C 3.0279 8.4269 128.5727 59.6023 32.4298 173.7732 7 T 4.3006 7.5849 113.5609 61.4595 68.8088 174.7565 8 V 4.1864 7.8650 120.5528 64.7687 33.1714 176.0748 9 C 4.4969 8.2016 111.0873 57.5634 31.0878 174.4407 10 G 4.3024 8.2889 107.5238 45.3672 0.0000 172.5328 11 Y 4.5872 7.9490 120.3117 57.8227 40.1927 174.3709 12 E 4.9092 7.4295 122.6672 54.4437 32.2169 174.1923 13 Y 4.8496 8.5183 126.6217 56.0056 43.0366 172.8827 14 D 5.2836 7.5113 123.5881 51.4087 43.8385 174.8779 15 P 5.2240 0.0000 0.0000 61.3214 29.2913 175.7953 16 A 4.5271 7.5559 126.2737 52.3976 20.1070 175.9110 17 F 4.9712 7.1044 116.7537 56.6935 40.8201 173.8200 18 E 4.3353 8.9631 116.9535 57.6046 31.7437 175.3419 19 D 4.6947 8.1232 119.9080 52.4977 40.5508 174.4016 20 L 4.1018 7.9115 127.8305 51.2206 41.6769 173.9095 21 P 4.2577 0.0000 0.0000 62.4848 32.4086 176.3078 22 D 4.7834 8.0344 117.7526 51.2207 38.7282 177.5015 23 D 5.0756 6.7745 121.4379 54.5877 43.1104 173.7410 24 W 4.8420 7.2984 131.5951 55.0997 33.4464 174.3185 25 A 4.7144 7.6722 127.8955 49.4838 21.4605 175.1828 26 C 3.4825 8.4726 122.1963 59.0755 32.5814 172.2818 27 P 4.2200 0.0000 0.0000 62.7658 30.3825 176.2513 28 V 4.0906 6.4848 115.9121 64.7824 33.8446 176.2182 29 C 4.1237 7.7720 117.2584 59.2689 30.1458 175.2013 30 G 4.2642 8.1371 107.3364 44.0259 0.0000 173.1193 31 A 4.2879 7.6256 121.3675 51.9264 19.6381 177.1267 32 S 4.5578 8.4824 114.1561 57.3564 64.3046 173.6616 33 K 3.7885 7.7701 118.6771 57.2475 30.9355 177.3306 34 D 4.7237 8.1569 120.5752 55.4872 41.2764 177.6001 35 A 4.2575 8.0785 120.4280 52.8964 18.9036 176.4093 36 F 4.6559 7.9867 115.6430 57.2870 39.5816 174.8449 37 E 4.9314 8.9903 121.3139 54.7241 32.3832 174.4202 38 K 4.3847 8.4751 125.1664 56.7090 32.9434 175.9847 39 Q 4.1107 8.3130 125.9205 56.7082 28.8599 173.6927 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 4.37 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 2 D 7.03 5.52 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 4.61 1.82 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 1.31 0.74 0.99 0.00 0.00 4 Y 9.13 5.29 0.00 3.34 3.25 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 5 V 7.85 4.92 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 0.73 0.00 0.00 0.96 0.00 0.00 6 C 8.43 3.03 0.00 2.29 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 7 T 7.58 4.30 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 1.23 0.00 0.00 8 V 7.86 4.19 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 0.83 0.00 0.00 0.95 0.00 0.00 9 C 8.20 4.50 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.59 0.00 3.02 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 12 E 7.43 4.91 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 13 Y 8.52 4.85 0.00 3.23 3.27 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 0.00 0.00 0.00 0.00 14 D 7.51 5.28 0.00 2.52 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 5.22 0.00 2.20 2.58 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 16 A 7.56 4.53 1.16 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 17 F 7.10 4.97 0.00 3.06 3.07 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 0.00 0.00 0.00 18 E 8.96 4.34 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 19 D 8.12 4.69 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.10 0.00 1.48 1.38 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.26 0.00 2.06 2.02 0.00 3.50 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 22 D 8.03 4.78 0.00 2.74 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 23 D 6.77 5.08 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 7.30 4.84 0.00 3.10 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 25 A 7.67 4.71 1.07 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 0.00 0.00 0.00 0.00 0.00 26 C 8.47 3.48 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.02 1.89 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.80 0.00 28 V 6.48 4.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.27 0.00 0.00 29 C 7.77 4.12 0.00 3.09 3.01 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 30 G 8.14 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 31 A 7.63 4.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.48 4.56 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.77 3.79 0.00 1.18 1.59 0.00 1.21 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.24 7.81 34 D 8.16 4.72 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.08 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.66 0.00 2.99 3.23 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 37 E 8.99 4.93 0.00 2.04 1.82 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 2.21 2.37 0.00 38 K 8.48 4.38 0.00 1.66 1.70 0.00 1.74 0.00 0.00 2.25 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.27 7.81 39 Q 8.31 4.11 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00