NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3889 8.1627 120.3457 55.4084 34.4540 177.4055 2 E 3.4001 7.8759 118.9324 59.1389 30.6442 178.0145 3 T 3.8374 8.2046 115.5080 66.4955 69.2564 175.7090 4 L 3.9954 8.8243 123.3049 58.5970 42.0355 178.0327 5 K 3.5449 7.7302 117.0204 59.8631 31.8824 177.7559 6 I 3.4701 7.4758 112.0328 64.5002 37.5072 177.7642 7 T 3.8820 7.3421 111.1002 64.5194 68.2733 176.0316 8 V 3.6080 8.0402 121.4161 65.6833 31.5904 177.3212 9 Y 4.2083 8.4482 116.5795 61.7788 37.7349 178.3200 10 I 3.6728 8.6622 120.0638 64.8544 37.2254 177.9196 11 V 3.9757 8.2040 118.2721 66.6307 31.4886 178.1888 12 V 3.5232 7.9872 117.4334 66.8949 31.3004 177.4533 13 T 3.8090 8.8464 112.6534 65.2763 66.9931 175.7291 14 F 4.1583 9.2800 122.4867 61.5651 39.5540 177.7252 15 F 3.5157 8.4845 117.4354 59.9495 38.4033 177.9564 16 V 3.8389 7.8889 111.9127 64.8557 31.4098 178.4758 17 L 3.8745 7.8110 118.2326 58.0626 41.5875 179.8001 18 L 3.9525 7.3826 118.5521 57.4301 41.4191 179.4910 19 F 4.2983 8.9002 121.6906 61.5995 39.3086 177.1400 20 V 3.5020 9.1680 118.7667 65.6523 31.1794 177.5959 21 F 4.4844 8.7064 118.4385 60.8489 38.9861 178.0865 22 G 3.6883 7.8870 103.7286 47.8664 0.0000 175.5134 23 F 4.2604 7.9053 121.9952 59.8269 39.3657 176.1776 24 L 4.0689 7.9133 119.2980 55.7155 41.2641 177.4771 25 S 4.0117 8.0732 115.7323 59.9021 64.7167 174.9874 26 G 3.6650 8.7488 112.7023 46.8768 0.0000 171.1646 27 D 4.7542 7.4635 118.0355 55.3949 43.7963 175.4117 28 P 4.3093 0.0000 0.0000 64.0829 31.4586 176.5693 29 A 4.6377 7.5825 119.4478 52.2544 20.7281 178.1311 30 R 4.3216 8.8648 116.5272 55.4333 27.4641 175.6581 31 N 4.6508 7.4199 116.7227 51.8813 40.0386 173.0310 32 P 4.3580 0.0000 0.0000 65.6302 31.8116 176.0727 33 K 4.2588 7.3973 115.7181 55.3121 34.5396 174.7806 34 R 4.4577 8.4876 123.1079 54.5298 30.0456 176.5911 35 K 4.1927 8.3403 121.0972 56.3001 32.5587 176.5588 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 8.16 4.39 0.00 2.09 2.07 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 2.55 2.59 0.00 2 E 7.88 3.40 0.00 2.09 1.90 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 2.32 2.33 0.00 3 T 8.20 3.84 4.22 0.00 0.00 0.00 0.00 0.00 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 4 L 8.82 4.00 0.00 1.68 1.86 0.93 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.73 3.54 0.00 1.67 1.61 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.31 1.12 7.81 6 I 7.48 3.47 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 0.76 0.00 0.00 7 T 7.34 3.88 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 1.27 0.00 0.00 8 V 8.04 3.61 2.45 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 1.16 0.00 0.00 1.03 0.00 0.00 9 Y 8.45 4.21 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 3.67 2.15 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 1.47 1.05 0.98 0.00 0.00 11 V 8.20 3.98 2.36 0.00 0.00 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 1.11 0.00 0.00 12 V 7.99 3.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 13 T 8.85 3.81 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 1.32 0.00 0.00 14 F 9.28 4.16 0.00 3.05 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 3.52 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.84 2.14 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 0.88 0.00 0.00 1.02 0.00 0.00 17 L 7.81 3.87 0.00 1.66 1.22 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.38 3.95 0.00 1.64 1.57 0.47 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.90 4.30 0.00 3.05 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 20 V 9.17 3.50 2.13 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 1.05 0.00 0.00 1.09 0.00 0.00 21 F 8.71 4.48 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.26 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.07 0.00 1.82 1.47 0.90 0.86 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 25 S 8.07 4.01 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.75 3.67 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 0.00 0.00 0.00 27 D 7.46 4.75 0.00 2.97 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 28 P 0.00 4.31 0.00 2.08 2.10 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 29 A 7.58 4.64 1.26 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 30 R 8.86 4.32 0.00 1.99 1.94 0.00 3.37 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 31 N 7.42 4.65 0.00 2.78 2.80 0.00 0.00 6.38 7.75 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 32 P 0.00 4.36 0.00 2.20 2.22 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 33 K 7.40 4.26 0.00 1.68 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.40 7.81 34 R 8.49 4.46 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 35 K 8.34 4.19 0.00 1.68 1.67 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.45 7.81