NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1507 8.2549 117.2616 54.8538 31.1099 175.1816 2 P 4.0816 0.0000 0.0000 62.1059 32.0484 176.2172 3 D 4.3935 8.4013 121.1895 57.2090 41.7907 178.6197 4 F 4.5720 7.9324 114.4224 59.4889 37.7527 177.6514 5 C 4.6712 7.4210 115.9813 58.9011 40.0386 174.6186 6 L 4.2971 7.6365 119.1078 54.2730 42.0203 176.7555 7 E 4.2590 7.4654 118.7651 55.3941 30.1514 175.0677 8 P 4.4726 0.0000 0.0000 61.0582 32.2961 174.7471 9 P 3.5877 0.0000 0.0000 62.6366 31.4466 175.2810 10 Y 4.6186 7.7314 121.4624 56.0509 40.4818 175.3505 11 T 4.2047 8.3082 125.2185 65.2942 68.8563 176.1268 12 G 3.7600 6.8438 104.5829 44.0693 0.0000 171.3295 13 P 4.3237 0.0000 0.0000 64.5751 31.5298 177.7145 14 C 4.4741 7.7220 116.8722 56.7729 40.7520 173.9544 15 K 4.1462 8.2981 119.5546 56.7852 32.4031 177.1803 16 A 4.2012 7.8842 122.1315 51.5852 19.9156 177.1043 17 R 4.5596 8.2099 117.8407 54.1593 29.8999 174.2287 18 I 4.4222 8.1668 122.1318 59.3424 40.0437 175.1956 19 I 4.2816 8.1716 127.4582 61.0905 38.0089 175.3130 20 R 4.5241 8.2867 124.4688 54.5876 35.0278 173.4219 21 Y 5.7345 9.1618 117.5697 56.5198 41.2547 175.3013 22 F 5.7789 9.3626 116.7810 55.4376 42.1205 172.7820 23 Y 4.4545 9.7547 122.6785 57.0022 39.6455 174.7571 24 N 4.5838 8.1847 126.1768 51.5598 38.3499 174.7450 25 A 3.7911 8.4347 129.1899 55.0186 18.8493 178.8490 26 K 4.0008 8.0598 115.2239 59.6113 32.3714 178.0800 27 A 3.9410 7.7735 119.4707 53.1648 18.4902 178.1771 28 G 3.8606 8.8373 103.5435 45.5886 0.0000 172.7053 29 L 4.6332 6.7744 118.3210 54.4804 44.0864 174.7096 30 C 4.9370 8.5721 116.7369 56.5257 41.9982 173.1823 31 Q 4.8446 8.4179 120.8990 54.2384 33.1532 174.4267 32 T 5.0919 8.5487 110.5428 61.5303 70.6715 173.7511 33 F 5.0083 8.6984 116.4468 56.1072 41.9230 172.9300 34 V 4.3983 8.4634 120.0929 61.9469 32.4277 174.2175 35 Y 4.7865 8.8918 130.3283 56.2648 40.1341 176.6037 36 G 3.7968 8.3088 113.8198 46.6263 0.0000 175.0023 37 G 3.8204 6.2505 106.4183 45.3951 0.0000 172.1041 38 C 4.8868 7.0873 112.1612 54.6241 44.5568 172.9592 39 R 3.8092 8.7770 115.5698 56.9727 27.2731 176.9625 40 A 4.3378 8.3481 118.6134 52.4666 19.0748 178.1893 41 K 4.4045 8.2462 120.2657 54.6822 34.0193 177.3954 42 R 3.4913 8.1240 118.5813 58.9980 30.3691 177.7303 43 N 4.8563 7.9490 117.8865 51.5029 37.4559 174.1704 44 N 5.1533 6.9303 116.5892 52.5922 41.7347 173.1057 45 F 4.9590 9.5313 125.2117 55.4874 42.0795 176.6152 46 K 4.0858 9.0156 125.9186 58.2159 32.8286 177.2875 47 S 4.8339 8.0523 112.6094 56.0686 65.3494 174.4755 48 A 3.3910 7.9819 130.2586 54.6124 18.1543 179.3341 49 E 3.7316 7.6903 118.2764 59.6712 29.6856 178.8506 50 D 4.3088 7.9425 118.3569 57.2711 40.8736 179.1613 51 C 2.5042 7.5036 118.4469 59.4651 44.7409 175.6040 52 M 3.8592 7.6899 120.2627 58.2271 31.2489 178.8560 53 R 3.7909 7.4815 117.7657 59.6233 30.3774 178.4407 54 T 3.9951 7.7052 114.4711 66.3259 68.6210 175.4089 55 C 4.3585 7.7283 115.8272 57.0356 41.3635 174.1824 56 G 3.6005 7.5954 113.8940 45.5627 0.0000 173.2656 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 R 8.25 4.15 0.00 1.64 1.79 0.00 2.95 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 2 P 0.00 4.08 0.00 1.03 1.66 0.00 3.26 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 1.87 2.03 0.00 3 D 8.40 4.39 0.00 2.78 2.74 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 4 F 7.93 4.57 0.00 3.43 3.34 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 5 C 7.42 4.67 0.00 2.97 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 6 L 7.64 4.30 0.00 1.76 1.76 0.94 0.82 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 7 E 7.47 4.26 0.00 2.08 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 2.39 2.44 0.00 8 P 0.00 4.47 0.00 1.97 1.89 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 9 P 0.00 3.59 0.00 0.80 0.49 0.00 3.25 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.00 10 Y 7.73 4.62 0.00 2.76 2.87 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 11 T 8.31 4.20 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 1.20 0.00 0.00 12 G 6.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.72 4.47 0.00 2.78 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.15 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 16 A 7.88 4.20 1.15 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 0.00 0.00 17 R 8.21 4.56 0.00 1.60 1.81 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 18 I 8.17 4.42 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.92 0.00 0.00 19 I 8.17 4.28 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.58 0.00 0.00 20 R 8.29 4.52 0.00 0.67 1.57 0.00 3.28 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 21 Y 9.16 5.73 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.36 5.78 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.75 4.45 0.00 2.98 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 24 N 8.18 4.58 0.00 2.39 2.50 0.00 0.00 6.65 8.05 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 25 A 8.43 3.79 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.00 0.00 1.71 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.77 3.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 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 29 L 6.77 4.63 0.00 1.67 1.71 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.57 4.94 0.00 2.83 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 31 Q 8.42 4.84 0.00 1.40 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 32 T 8.55 5.09 4.17 0.00 0.00 0.00 0.00 0.00 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 33 F 8.70 5.01 0.00 3.05 3.27 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 34 V 8.46 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 35 Y 8.89 4.79 0.00 2.55 2.71 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 36 G 8.31 3.80 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 0.00 0.00 0.00 37 G 6.25 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 0.00 0.00 0.00 38 C 7.09 4.89 0.00 3.05 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 39 R 8.78 3.81 0.00 2.42 2.23 0.00 3.33 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 8.35 4.34 1.12 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 0.00 0.00 41 K 8.25 4.40 0.00 1.74 1.85 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.12 7.81 42 R 8.12 3.49 0.00 1.26 0.66 0.00 2.21 0.00 0.00 2.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 43 N 7.95 4.86 0.00 3.17 2.89 0.00 0.00 6.68 7.79 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 44 N 6.93 5.15 0.00 2.68 2.55 0.00 0.00 7.09 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.53 4.96 0.00 3.36 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 46 K 9.02 4.09 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.05 4.83 0.00 3.95 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 48 A 7.98 3.39 0.49 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 49 E 7.69 3.73 0.00 1.93 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 2.25 2.30 0.00 50 D 7.94 4.31 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.50 2.50 0.00 2.67 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.69 3.86 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 53 R 7.48 3.79 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.71 4.00 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 1.51 0.00 0.00 55 C 7.73 4.36 0.00 2.47 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.60 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00