NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.5168 8.4449 120.3687 56.3005 31.0609 171.7147 3 Y 4.8408 7.0253 116.9636 55.3986 40.0090 172.8010 4 E 4.2020 9.3751 122.7736 56.6913 31.1450 176.0861 5 E 4.6158 8.5322 119.9883 55.1655 33.6783 175.2155 6 G 3.8878 8.7174 106.1411 43.7680 0.0000 171.3410 7 P 4.2680 0.0000 0.0000 64.1314 31.4370 177.5037 8 G 3.8645 8.8795 110.6833 45.4649 0.0000 173.6999 9 K 4.3292 8.0617 118.0979 56.2955 33.6820 176.3761 10 N 4.8892 7.7454 116.7153 51.7829 37.7350 174.6070 11 I 4.4159 6.9082 110.2125 59.7997 40.7022 173.3450 12 P 4.5261 0.0000 0.0000 62.8888 31.5637 175.6915 13 F 4.9659 6.7856 113.1590 54.9248 40.5863 174.5641 14 S 4.3304 8.6297 117.0858 58.3286 62.8460 174.3482 15 V 4.4619 7.9665 120.1165 61.1253 32.2884 176.9488 16 E 3.9659 8.2901 122.6898 58.6290 29.6868 176.4128 17 N 4.9266 7.8829 118.0715 50.9179 40.9632 174.7612 18 K 3.6120 8.5292 126.0645 59.5112 32.1948 178.7929 19 W 4.4382 7.8352 119.5396 59.0720 29.4227 178.1738 20 R 3.9240 8.3820 118.7052 59.4049 29.4336 177.9978 21 L 3.9234 8.1111 120.2626 58.2809 41.9988 178.7155 22 L 3.9022 7.8578 119.6497 58.1402 42.0267 178.7474 23 A 4.0557 8.0942 120.6581 55.4479 18.2561 179.5871 24 M 3.9931 8.3392 117.4763 58.9773 32.1323 179.0650 25 M 3.9889 8.7957 119.1426 58.1336 32.0024 178.6901 26 T 4.1259 7.8905 113.5058 64.7910 67.7043 176.3663 27 L 4.0156 8.0646 120.9973 58.7149 41.4363 178.5402 28 F 4.2401 8.6571 121.2891 60.6359 39.0410 176.9012 29 F 4.3558 8.5124 116.8903 60.7177 39.1301 178.1742 30 G 3.7677 8.5483 105.5960 47.7241 0.0000 175.9089 31 S 4.3215 8.2530 116.8140 61.1390 62.7125 177.0183 32 G 3.4948 7.4557 107.1404 47.5877 0.0000 175.2249 33 F 4.3846 8.3390 122.1883 60.8958 39.8663 176.7376 34 A 4.4343 8.8539 120.7599 54.9679 18.1021 179.2742 35 A 4.0539 7.8676 119.4399 55.2139 18.5088 178.0653 36 P 4.0570 0.0000 0.0000 65.7293 31.2963 178.8660 37 F 3.9605 7.8575 116.1298 60.5041 38.8539 177.5809 38 F 4.0549 8.4395 117.0447 60.1865 38.6031 177.8299 39 I 3.7128 8.1026 119.8625 64.3522 36.9435 178.2924 40 V 3.5245 7.7240 118.9233 66.1691 31.3012 177.9320 41 R 3.8184 7.9497 118.1139 59.6842 29.6686 177.6550 42 H 4.1332 8.4366 117.2106 59.5723 30.1447 176.9466 43 Q 4.0641 8.2256 119.6166 58.9535 28.4229 178.3565 44 L 3.9729 8.1978 118.9438 58.0137 41.7842 179.5330 45 L 4.1287 7.8663 117.1758 57.1920 41.5276 179.3052 46 K 4.1226 7.8368 118.1327 56.9362 32.0699 177.0775 47 K 3.9850 7.8805 121.9421 57.2188 32.9353 174.1860 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 2 H 8.44 4.52 0.00 3.01 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.03 4.84 0.00 2.85 2.59 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 4 E 9.38 4.20 0.00 1.93 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 0.00 2.33 2.27 0.00 5 E 8.53 4.62 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 2.22 2.29 0.00 6 G 8.72 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.02 1.99 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 8 G 8.88 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.06 4.33 0.00 1.89 1.79 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.56 7.81 10 N 7.75 4.89 0.00 2.74 2.82 0.00 0.00 5.81 7.81 0.00 0.00 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 I 6.91 4.42 0.58 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 0.60 0.00 0.00 12 P 0.00 4.53 0.00 2.21 2.15 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 13 F 6.79 4.97 0.00 3.09 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 14 S 8.63 4.33 0.00 3.84 3.82 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 0.00 0.00 0.00 15 V 7.97 4.46 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 0.83 0.00 0.00 0.86 0.00 0.00 16 E 8.29 3.97 0.00 1.92 1.98 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 2.33 2.29 0.00 17 N 7.88 4.93 0.00 2.75 2.66 0.00 0.00 6.86 7.31 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 18 K 8.53 3.61 0.00 1.47 1.74 0.00 1.16 0.00 0.00 1.27 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.85 0.21 7.81 19 W 7.84 4.44 0.00 3.60 3.31 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 20 R 8.38 3.92 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.11 3.92 0.00 1.89 1.77 1.15 0.85 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 22 L 7.86 3.90 0.00 1.98 1.97 0.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.34 3.99 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 25 M 8.80 3.99 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.34 0.00 26 T 7.89 4.13 4.68 0.00 0.00 0.00 0.00 0.00 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 27 L 8.06 4.02 0.00 1.92 1.75 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.66 4.24 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.36 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.77 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 0.00 0.00 0.00 31 S 8.25 4.32 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.38 0.00 3.10 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 34 A 8.85 4.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.05 1.31 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 0.00 0.00 36 P 0.00 4.06 0.00 1.57 1.83 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 37 F 7.86 3.96 0.00 3.17 2.86 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 0.00 0.00 0.00 0.00 38 F 8.44 4.05 0.00 3.23 3.16 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 39 I 8.10 3.71 1.98 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 1.41 0.84 0.91 0.00 0.00 40 V 7.72 3.52 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 0.95 0.00 0.00 0.81 0.00 0.00 41 R 7.95 3.82 0.00 1.80 2.07 0.00 3.00 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 H 8.44 4.13 0.00 3.21 3.53 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.23 4.06 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 44 L 8.20 3.97 0.00 1.67 1.73 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.87 4.13 0.00 1.75 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.84 4.12 0.00 1.88 1.82 0.00 1.54 0.00 0.00 1.54 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 47 K 7.88 3.99 0.00 1.82 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.10 7.81