NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1051 8.0093 120.7865 61.2275 38.4877 174.5255 2 T 4.4821 8.2390 117.7241 59.5127 71.2680 171.7674 3 A 4.6614 8.7013 124.9408 50.6220 23.1205 177.6389 4 K 4.2732 8.3245 119.3599 55.0577 32.9195 175.6463 5 P 4.3859 0.0000 0.0000 62.1389 31.8681 176.0785 6 A 4.0517 8.3966 122.1043 52.6307 18.6761 178.3069 7 K 4.1799 8.7350 122.4635 59.0510 32.8481 177.8235 8 T 4.6362 7.3332 106.8770 58.1979 68.2996 171.2317 9 P 4.0920 0.0000 0.0000 64.0902 32.0788 177.0872 10 T 4.3808 8.1060 117.3226 61.5164 68.9404 175.0303 11 S 4.3205 8.3105 122.0556 57.3056 64.9429 173.1333 12 P 4.1869 0.0000 0.0000 65.9667 31.0853 178.6677 13 K 3.8616 8.1026 116.3211 59.8585 32.0243 178.7439 14 E 3.9586 7.7798 117.3630 59.6124 29.3786 179.6849 15 Q 3.9008 8.2650 117.7404 59.0555 28.8674 178.4261 16 A 4.0535 8.6188 122.1511 55.3210 18.1344 179.9064 17 I 3.6982 7.9596 118.2542 64.6382 37.3564 178.8671 18 G 3.5919 8.0789 106.4825 47.5465 0.0000 175.5189 19 L 3.7559 8.3891 122.8125 57.9816 42.0462 179.0186 20 S 3.9663 7.7679 115.0711 61.6097 62.7625 176.7580 21 V 3.6137 7.9271 120.8296 66.5771 31.0335 177.9546 22 T 4.0445 7.9984 115.2071 66.8529 68.2070 176.5804 23 F 4.2390 8.4836 119.3927 60.6550 39.0157 177.5579 24 L 4.0958 8.4108 119.1647 58.1005 41.2936 179.7963 25 S 4.3375 8.2639 112.6304 61.2044 61.4445 176.3073 26 F 4.2686 7.9250 120.8049 60.1720 39.0735 178.1118 27 L 4.3242 8.3908 118.8960 58.0658 41.3826 178.9610 28 L 4.0926 8.6212 119.7625 56.7047 41.4956 177.2946 29 P 4.2717 0.0000 0.0000 65.9569 31.4888 178.4999 30 A 4.1695 7.6213 117.0690 55.2117 18.3751 179.7081 31 G 3.7435 8.4022 104.4525 47.8348 0.0000 175.3847 32 W 4.1896 8.8670 131.2005 60.2897 30.5951 177.9155 33 V 3.7258 8.1608 116.9988 66.4147 31.2432 177.7986 34 L 4.1636 8.5215 118.8655 57.8948 41.1897 178.8680 35 Y 4.0349 8.3423 119.1910 60.1269 38.9412 176.7722 36 H 4.2032 7.3787 114.6186 55.0243 28.8814 176.4169 37 L 3.8687 7.1744 123.1566 58.3137 41.3654 178.8126 38 D 4.2314 7.8824 116.8148 57.7289 40.7523 178.0941 39 N 4.1954 7.3685 115.5780 56.3261 38.6863 176.8051 40 Y 4.5146 7.0188 117.6404 61.0616 38.0308 177.9035 41 K 4.2478 8.1397 117.0241 57.7666 32.1624 177.4072 42 K 4.3392 7.2552 118.6470 55.1778 33.1284 175.6048 43 S 4.2651 8.1122 117.6667 59.3003 63.7958 169.4751 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 I 8.01 4.11 1.87 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 1.47 1.34 0.91 0.00 0.00 2 T 8.24 4.48 4.24 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 1.21 0.00 0.00 3 A 8.70 4.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.27 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 P 0.00 4.39 0.00 2.17 2.05 0.00 3.78 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 6 A 8.40 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.18 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.33 4.64 4.24 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 1.21 0.00 0.00 9 P 0.00 4.09 0.00 2.19 2.14 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 10 T 8.11 4.38 4.23 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 1.20 0.00 0.00 11 S 8.31 4.32 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.16 2.15 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 13 K 8.10 3.86 0.00 1.82 1.86 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 14 E 7.78 3.96 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 15 Q 8.26 3.90 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 16 A 8.62 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 17 I 7.96 3.70 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.90 0.00 0.00 18 G 8.08 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 19 L 8.39 3.76 0.00 1.55 1.41 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.77 3.97 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.61 2.23 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 1.15 0.00 0.00 1.01 0.00 0.00 22 T 8.00 4.04 4.52 0.00 0.00 0.00 0.00 0.00 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 23 F 8.48 4.24 0.00 3.23 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 24 L 8.41 4.10 0.00 1.93 1.80 1.06 1.05 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 25 S 8.26 4.34 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 26 F 7.93 4.27 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.32 0.00 1.74 1.76 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.62 4.09 0.00 1.68 1.68 0.94 0.99 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 29 P 0.00 4.27 0.00 2.17 2.13 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 30 A 7.62 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 32 W 8.87 4.19 0.00 3.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.73 2.29 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 1.04 0.00 0.00 1.35 0.00 0.00 34 L 8.52 4.16 0.00 2.00 1.74 0.96 0.67 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 35 Y 8.34 4.03 0.00 2.85 2.92 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 36 H 7.38 4.20 0.00 2.38 2.36 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.17 3.87 0.00 1.68 1.68 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.88 4.23 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.37 4.20 0.00 2.27 2.67 0.00 0.00 7.11 7.47 0.00 0.00 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 Y 7.02 4.51 0.00 3.11 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 41 K 8.14 4.25 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 42 K 7.26 4.34 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 43 S 8.11 4.27 0.00 4.07 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00