NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2956 8.2649 123.5821 52.2621 18.7559 175.8959 2 Q 4.3065 8.1468 119.5465 53.9692 30.7999 174.3421 3 N 4.7984 8.0532 119.4269 51.0548 39.7882 172.9497 4 P 4.3657 0.0000 0.0000 65.0979 31.4747 178.8501 5 C 4.3170 8.1906 116.6595 60.1720 37.5055 175.9751 6 S 3.9322 8.0750 116.9909 61.5020 62.1250 176.5108 7 L 3.9870 7.6728 122.6790 57.9028 41.9088 178.5073 8 Q 4.4990 7.8720 116.1493 57.4758 29.7865 175.6577 9 Q 4.2877 8.8456 120.4399 53.1295 30.7413 172.3068 10 P 4.5581 0.0000 0.0000 63.0193 32.0116 177.2319 11 G 4.0584 8.7843 109.0243 46.0257 0.0000 174.5717 12 C 4.7315 7.6402 118.5126 55.9319 42.9595 173.3533 13 S 4.2813 8.1076 121.7614 58.4910 62.6363 175.2588 14 S 4.0810 8.8512 123.1027 61.6381 62.7837 176.2197 15 A 4.0832 7.5609 121.8749 54.4057 18.3038 177.7117 16 C 4.3970 8.4630 113.6690 58.7700 40.6943 174.1297 17 A 4.6031 7.7602 122.5894 51.2115 18.3823 175.7007 18 P 4.4405 0.0000 0.0000 63.7591 31.9886 177.7201 19 A 3.9598 7.9740 122.2979 55.5305 18.8015 179.5099 20 C 4.2463 8.7090 110.9850 57.9494 36.8019 174.9193 21 R 4.2033 7.5811 117.2738 55.6231 31.9397 176.5690 22 L 4.2814 8.5942 123.8635 58.8723 40.7714 179.7895 23 S 4.1397 8.1681 113.1179 61.2296 62.6368 176.4588 24 C 4.5372 7.8619 121.0729 59.3871 44.9727 175.3739 25 C 4.2174 9.1698 119.4630 60.2040 39.4955 176.3413 26 S 4.0886 7.9961 116.2739 61.0958 63.5569 176.1111 27 L 4.5350 7.1315 123.9279 53.5242 40.9321 176.4278 28 G 4.5067 7.7245 111.2630 46.9454 0.0000 173.7303 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 A 8.26 4.30 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 2 Q 8.15 4.31 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 3 N 8.05 4.80 0.00 2.76 2.68 0.00 0.00 6.62 7.93 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 4 P 0.00 4.37 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 5 C 8.19 4.32 0.00 3.20 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 6 S 8.08 3.93 0.00 3.98 3.91 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 7 L 7.67 3.99 0.00 1.67 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.87 4.50 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 9 Q 8.85 4.29 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 10 P 0.00 4.56 0.00 2.03 2.01 0.00 3.79 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 11 G 8.78 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 12 C 7.64 4.73 0.00 3.10 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 13 S 8.11 4.28 0.00 4.03 3.73 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 14 S 8.85 4.08 0.00 3.92 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 15 A 7.56 4.08 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 16 C 8.46 4.40 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 17 A 7.76 4.60 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 18 P 0.00 4.44 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 19 A 7.97 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.25 0.00 3.06 3.14 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 0.00 0.00 0.00 0.00 21 R 7.58 4.20 0.00 1.89 1.85 0.00 3.21 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 22 L 8.59 4.28 0.00 1.75 1.69 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.17 4.14 0.00 4.08 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 24 C 7.86 4.54 0.00 3.01 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 25 C 9.17 4.22 0.00 2.87 3.06 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 26 S 8.00 4.09 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 4.53 0.00 1.76 1.81 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.72 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00