NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8576 8.3544 109.7362 45.5326 0.0000 173.2116 2 S 4.2528 7.6584 112.4078 56.4611 63.5715 170.8714 3 S 4.5836 8.0597 121.9813 56.5795 67.2883 174.2383 4 G 4.7060 7.0401 117.4001 46.1089 0.0000 172.3546 5 S 4.8012 7.2497 117.3359 56.1283 66.9425 174.1656 6 S 4.6256 8.4528 117.6901 57.8838 63.8103 176.2548 7 G 3.7798 8.1349 110.3816 45.4760 0.0000 173.6345 8 A 4.1604 8.3472 121.4466 51.6230 19.1079 177.8674 9 G 3.9951 8.1255 108.5077 44.9974 0.0000 172.7884 10 E 4.7695 8.2773 116.8088 54.8823 33.3255 174.7173 11 N 5.1514 8.3109 117.8937 51.1027 42.9149 173.0619 12 P 4.2825 0.0000 0.0000 65.8967 31.8234 177.2142 13 F 4.5345 7.9880 118.3605 57.1947 37.3566 173.8725 14 K 5.1927 8.2303 123.3461 54.4621 34.5310 174.7487 15 C 4.4946 9.1145 126.6703 59.4524 31.9608 173.6950 16 S 4.2499 8.7321 120.7065 61.3451 61.8530 175.3912 17 K 3.8094 7.7316 118.0246 58.5432 32.1644 178.0193 18 C 4.7660 7.5256 114.8340 56.9661 32.9049 172.9795 19 D 4.7576 8.3881 116.8703 53.6911 39.7332 175.6634 20 R 4.6871 7.4040 120.4799 54.6418 33.9577 176.9049 21 V 5.0318 7.5567 119.0874 61.6553 34.9907 173.9997 22 F 4.8629 9.0200 122.3737 56.0292 43.4719 174.0304 23 T 4.5593 8.4684 112.7996 61.8146 67.1073 173.8112 24 Q 3.6822 7.0856 116.7046 53.4945 32.5627 174.7889 25 R 3.9432 7.3043 118.5580 58.8386 30.1594 178.2691 26 N 4.1191 7.5299 115.9956 56.5473 38.4500 176.8585 27 Y 4.2041 7.1356 115.8048 60.6465 38.0306 178.0682 28 L 3.1050 6.9218 121.6927 57.4162 42.2020 178.9165 29 V 3.5522 7.6253 118.1276 66.3190 31.7024 177.9674 30 Q 3.9629 7.8553 117.5126 59.2190 28.2511 178.5020 31 H 4.4072 7.4900 118.3233 58.5998 29.9309 176.7504 32 E 4.2519 8.2877 120.8018 58.8224 29.0761 179.1206 33 R 3.8586 7.8759 115.4833 59.0519 29.9438 178.4805 34 T 4.2086 7.3448 108.7290 63.7293 69.3280 174.9368 35 H 4.4070 7.4698 117.9814 55.7382 27.7314 174.5202 36 A 4.8142 8.0474 131.2030 51.8652 19.9644 177.5417 37 R 4.2549 8.2686 120.3261 59.4997 31.1475 177.8550 38 K 4.1370 7.8847 117.5322 56.1944 32.2904 176.4882 39 S 4.3228 8.5656 118.4420 58.1924 65.1240 174.1286 40 G 3.9544 8.8133 113.8286 43.9985 0.0000 172.5936 41 P 4.4768 0.0000 0.0000 62.1584 28.6642 174.5645 42 S 4.2642 7.4526 118.5931 58.7139 63.3026 172.7971 43 S 4.5659 8.1659 120.6863 58.4093 64.8511 176.8174 44 G 3.7318 8.4946 108.6314 46.2675 0.0000 173.2269 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 G 8.35 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 2 S 7.66 4.25 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.06 4.58 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.04 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.25 4.80 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.63 0.00 3.80 3.81 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 0.00 0.00 0.00 0.00 7 G 8.13 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.16 1.22 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 0.00 0.00 0.00 9 G 8.13 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 0.00 0.00 0.00 10 E 8.28 4.77 0.00 1.88 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 2.36 0.00 11 N 8.31 5.15 0.00 2.75 2.93 0.00 0.00 7.05 8.08 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 12 P 0.00 4.28 0.00 1.77 2.02 0.00 3.89 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 1.49 1.82 0.00 13 F 7.99 4.53 0.00 3.38 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 5.19 0.00 1.79 1.72 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.37 7.81 15 C 9.11 4.49 0.00 3.25 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 16 S 8.73 4.25 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.81 0.00 1.35 1.50 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.17 7.81 18 C 7.53 4.77 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.76 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.69 0.00 1.81 1.56 0.00 2.88 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 21 V 7.56 5.03 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 0.92 0.00 0.00 0.90 0.00 0.00 22 F 9.02 4.86 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.56 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 24 Q 7.09 3.68 0.00 2.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.40 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 25 R 7.30 3.94 0.00 1.97 1.82 0.00 3.60 0.00 0.00 3.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 26 N 7.53 4.12 0.00 2.29 2.47 0.00 0.00 7.03 7.36 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 27 Y 7.14 4.20 0.00 2.82 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 28 L 6.92 3.10 0.00 1.73 1.75 1.14 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.63 3.55 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 0.94 0.00 0.00 0.92 0.00 0.00 30 Q 7.86 3.96 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 31 H 7.49 4.41 0.00 2.96 3.25 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.29 4.25 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 33 R 7.88 3.86 0.00 1.95 2.04 0.00 3.02 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 34 T 7.34 4.21 4.18 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 1.23 0.00 0.00 35 H 7.47 4.41 0.00 3.38 3.32 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.05 4.81 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 37 R 8.27 4.25 0.00 1.84 2.00 0.00 3.25 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 38 K 7.88 4.14 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 39 S 8.57 4.32 0.00 3.78 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 40 G 8.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.48 0.00 2.19 2.11 0.00 3.78 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 1.95 0.00 42 S 7.45 4.26 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.17 4.57 0.00 3.95 3.79 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 0.00 0.00 0.00 44 G 8.49 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 0.00 0.00 0.00