NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4068 8.3044 120.3236 55.5311 33.8670 174.1769 2 E 4.5456 8.2352 116.2893 55.4421 29.7185 171.1345 3 V 3.7909 7.4961 114.0448 61.3121 33.5237 175.4626 4 N 4.6756 8.5061 121.7904 52.8605 38.3261 176.5546 5 Q 4.5993 8.5772 126.3431 58.1758 29.3720 178.4868 6 L 4.7984 8.0980 116.8436 55.2165 40.9961 178.6307 7 G 3.5858 9.7384 111.8145 48.7435 0.0000 175.9158 8 F 4.4128 8.6830 119.1315 60.7916 39.1837 177.6181 9 I 3.4233 8.6391 119.6145 64.2925 38.1057 177.2880 10 A 4.0236 7.7734 120.6532 55.3040 18.4661 179.4781 11 T 3.8460 9.7401 112.5014 65.7300 68.1983 178.1256 12 A 3.8780 6.0764 126.6679 54.8545 19.4844 179.6420 13 L 3.9041 7.9921 117.3988 58.0323 41.6604 179.4798 14 F 4.3608 8.2327 118.8369 60.2220 39.3415 175.5519 15 V 4.0419 7.2289 115.3730 62.8412 32.1411 175.2473 16 L 4.5370 9.1943 118.4902 56.5187 43.9270 178.6631 17 V 3.5752 7.9572 116.2207 65.6534 31.5423 175.7842 18 P 4.4049 0.0000 0.0000 66.3996 31.1979 177.5094 19 S 3.9642 8.1341 113.1036 61.0904 61.9366 176.2491 20 V 3.6025 8.5104 121.9785 65.0903 30.8744 178.0457 21 F 4.3892 8.4594 121.3683 61.3491 39.0575 177.1870 22 L 3.4509 8.0699 118.7510 57.6909 41.1021 179.3607 23 I 3.4062 7.7786 118.6013 63.5103 37.0498 177.8696 24 I 3.9951 7.1992 121.0124 63.8402 37.3538 178.0503 25 L 3.9974 7.5075 118.4670 57.7253 41.5800 178.8512 26 Y 4.0980 8.8187 120.8313 60.5600 38.6335 177.6801 27 V 3.1799 7.4186 118.8303 66.2379 31.6940 178.0058 28 Q 4.0211 7.8543 116.5266 59.4726 28.0717 178.8924 29 T 3.7479 7.7996 118.0349 66.5744 67.8389 176.0220 30 E 4.0726 7.3163 117.3696 57.8873 28.9818 178.2701 31 S 4.2705 7.5638 114.6652 58.7897 63.1230 175.3257 32 Q 4.2687 7.8549 120.7057 57.6620 28.7077 177.1673 33 Q 4.3075 7.7123 115.6285 56.0439 30.5368 176.3357 34 K 4.5690 6.8715 122.9996 57.6515 29.7165 172.5691 35 S 4.7192 7.6217 117.2940 56.0355 67.6531 174.7022 36 S 4.2371 8.5998 114.4487 58.9553 62.0532 173.6167 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 4.41 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 E 8.24 4.55 0.00 1.95 1.83 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 2.16 2.39 0.00 3 V 7.50 3.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 4 N 8.51 4.68 0.00 2.70 2.71 0.00 0.00 6.90 7.12 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 5 Q 8.58 4.60 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 6 L 8.10 4.80 0.00 1.91 1.87 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.41 0.00 3.07 2.77 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 9 I 8.64 3.42 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.24 0.92 0.00 0.00 10 A 7.77 4.02 1.46 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 0.00 0.00 0.00 11 T 9.74 3.85 4.61 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 1.36 0.00 0.00 12 A 6.08 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.90 0.00 1.97 1.79 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.23 4.36 0.00 3.01 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 4.04 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 0.83 0.00 0.00 1.06 0.00 0.00 16 L 9.19 4.54 0.00 1.80 1.62 0.94 0.75 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 17 V 7.96 3.58 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 18 P 0.00 4.40 0.00 2.20 2.19 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 19 S 8.13 3.96 0.00 3.87 3.92 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 20 V 8.51 3.60 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 0.96 0.00 0.00 21 F 8.46 4.39 0.00 3.10 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.45 0.00 1.59 1.51 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.78 3.41 2.01 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 1.62 1.08 0.96 0.00 0.00 24 I 7.20 4.00 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.97 0.00 0.00 25 L 7.51 4.00 0.00 1.30 1.62 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.82 4.10 0.00 2.93 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 27 V 7.42 3.18 2.12 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 0.93 0.00 0.00 1.04 0.00 0.00 28 Q 7.85 4.02 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 29 T 7.80 3.75 4.16 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 1.11 0.00 0.00 30 E 7.32 4.07 0.00 1.83 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 1.76 2.47 0.00 31 S 7.56 4.27 0.00 4.05 3.83 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 32 Q 7.85 4.27 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 33 Q 7.71 4.31 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 34 K 6.87 4.57 0.00 1.74 1.94 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.54 7.81 35 S 7.62 4.72 0.00 4.28 3.70 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 36 S 8.60 4.24 0.00 3.82 3.75 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