NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4859 8.3049 120.3255 55.1627 33.4373 175.3954 2 V 3.6028 8.3426 114.6890 62.4315 32.0115 175.2624 3 I 4.5299 7.9905 120.5989 58.9086 41.1670 173.8617 4 A 4.7767 9.3729 130.3455 50.3440 21.6969 177.3517 5 T 3.8676 8.3980 115.7411 67.0589 68.1514 176.5487 6 D 4.6109 8.1958 119.2811 57.5540 40.8520 178.0694 7 D 4.5570 8.2461 117.7721 55.5449 41.2572 176.7655 8 L 4.5569 8.1774 119.3852 55.4820 44.1041 176.3641 9 E 4.9588 8.0913 115.9869 54.2983 32.5224 175.7905 10 V 4.4658 8.4304 122.6826 60.4961 34.7012 174.5753 11 A 4.2931 8.8097 129.4070 52.5480 19.0587 176.4275 12 C 4.3030 9.0286 124.0982 58.5663 31.9410 172.9785 13 P 4.3193 0.0000 0.0000 65.4798 31.4325 177.8633 14 K 4.0319 8.2265 119.7815 59.2938 32.4156 177.0669 15 C 4.5086 8.0946 110.9413 56.9640 30.0361 173.1157 16 E 3.8256 8.7553 117.9957 57.8303 27.1773 175.7420 17 R 4.2138 8.3400 114.9747 56.5097 29.2190 176.4418 18 A 3.9917 8.3281 120.2508 56.0854 18.4996 179.4853 19 G 4.0650 9.0114 103.2359 45.1181 0.0000 172.7106 20 E 4.9739 7.5916 117.3492 54.6260 33.1268 175.6099 21 I 4.2174 9.0360 124.8489 60.3268 36.9145 175.4872 22 E 3.8275 9.5939 126.6950 57.7953 27.2078 175.5209 23 G 4.1217 7.4059 107.9663 46.5366 0.0000 175.7912 24 T 4.1829 7.8625 112.0055 59.4203 69.8145 172.1649 25 P 4.6839 0.0000 0.0000 62.7298 31.9508 175.7232 26 C 4.1784 8.7730 122.8911 59.1455 32.1867 172.4474 27 P 4.1281 0.0000 0.0000 65.8004 31.3974 178.1678 28 A 4.0762 8.1620 119.6215 55.5820 18.1986 178.6365 29 C 4.1874 7.9867 108.0602 58.9799 30.5943 173.2084 30 S 3.6503 8.1924 116.1654 59.6578 59.4168 172.4895 31 G 4.0557 8.0426 104.8212 46.0708 0.0000 174.2536 32 K 4.0542 7.7620 119.1266 56.7564 32.6285 179.6152 33 G 4.0954 8.3890 106.3993 45.3864 0.0000 172.9442 34 V 4.7945 7.3748 117.6726 61.1152 34.9765 174.6620 35 I 4.4788 8.6737 127.9447 59.6888 38.9801 175.0943 36 L 4.6782 8.4993 127.5198 54.6247 42.4922 177.1093 37 T 4.3067 8.6248 113.4613 60.9716 70.3430 175.5073 38 A 4.1183 8.8729 123.6772 55.6764 18.1327 179.5793 39 Q 4.0058 8.2558 117.4733 59.2324 29.0122 178.7322 40 G 3.5390 8.1562 106.6921 48.0970 0.0000 175.2428 41 Y 4.1536 7.9331 119.8910 60.7915 38.0034 178.6259 42 T 3.9873 8.2712 117.1562 66.9471 68.5915 176.3086 43 L 4.0847 7.7073 120.3828 57.6507 41.7593 179.0483 44 L 3.9763 8.0426 120.2757 58.3531 42.0190 178.7026 45 D 4.4120 8.9629 119.0831 57.4430 40.9124 178.1820 46 F 4.2474 8.1459 120.5031 61.7403 39.2327 177.1510 47 I 3.4381 8.6218 119.1247 64.5198 36.8107 177.9705 48 Q 3.9026 8.1622 119.3263 59.3418 28.7645 178.7390 49 K 3.9935 7.9374 119.3199 59.6845 32.5059 177.9893 50 H 4.4787 7.5236 112.7161 55.0787 29.5085 175.5041 51 L 3.9851 7.5673 123.9695 55.9575 42.4843 176.1011 52 N 4.1895 8.5893 122.2524 54.2805 36.0901 174.3290 53 K 4.1530 8.0737 121.3312 56.9930 32.9660 176.0428 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 4.49 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 V 8.34 3.60 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 0.62 0.00 0.00 0.92 0.00 0.00 3 I 7.99 4.53 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.89 0.00 0.00 4 A 9.37 4.78 1.27 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 0.00 0.00 5 T 8.40 3.87 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 1.19 0.00 0.00 6 D 8.20 4.61 0.00 2.61 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.56 0.00 2.82 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 8 L 8.18 4.56 0.00 1.63 1.62 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.09 4.96 0.00 1.78 1.79 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 2.14 2.21 0.00 10 V 8.43 4.47 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 1.01 0.00 0.00 0.93 0.00 0.00 11 A 8.81 4.29 1.24 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 0.00 0.00 12 C 9.03 4.30 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.22 2.18 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.23 4.03 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.09 4.51 0.00 3.18 3.13 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 0.00 0.00 0.00 16 E 8.76 3.83 0.00 2.06 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 2.26 2.22 0.00 17 R 8.34 4.21 0.00 1.96 2.10 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 18 A 8.33 3.99 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 19 G 9.01 4.07 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 0.00 20 E 7.59 4.97 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 21 I 9.04 4.22 1.87 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 1.30 1.24 0.91 0.00 0.00 22 E 9.59 3.83 0.00 2.10 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 2.22 2.29 0.00 23 G 7.41 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.18 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 25 P 0.00 4.68 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.77 4.18 0.00 2.97 2.85 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 27 P 0.00 4.13 0.00 2.22 2.07 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.16 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 4.19 0.00 3.11 3.08 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 0.00 0.00 0.00 0.00 30 S 8.19 3.65 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.05 0.00 2.02 1.96 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 G 8.39 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 4.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.05 0.00 0.00 35 I 8.67 4.48 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.97 0.00 0.00 36 L 8.50 4.68 0.00 0.73 1.01 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.62 4.31 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 1.20 0.00 0.00 38 A 8.87 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.26 4.01 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 40 G 8.16 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.93 4.15 0.00 3.16 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 42 T 8.27 3.99 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 L 7.71 4.08 0.00 1.67 1.77 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.04 3.98 0.00 1.92 1.86 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.96 4.41 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.15 4.25 0.00 3.24 3.28 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 47 I 8.62 3.44 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.84 0.91 0.00 0.00 48 Q 8.16 3.90 0.00 2.07 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 49 K 7.94 3.99 0.00 1.93 2.04 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.38 7.81 50 H 7.52 4.48 0.00 2.80 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.57 3.99 0.00 1.66 1.54 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.59 4.19 0.00 2.89 2.86 0.00 0.00 6.96 7.61 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 53 K 8.07 4.15 0.00 1.82 1.73 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.39 7.81