NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2327 8.2393 120.8541 55.8759 30.0799 174.9538 6 T 3.5510 8.1199 115.1528 60.9799 69.0731 172.4750 7 A 4.4500 8.6737 126.4215 49.9784 21.3345 177.5774 8 F 4.4479 8.4535 121.7070 58.0049 39.8218 176.4933 9 S 4.4886 9.1033 120.2222 57.9126 65.2139 175.8718 10 S 3.9963 8.6167 118.4178 61.1563 62.1510 176.3013 11 E 3.9394 8.0733 123.2435 59.1743 29.4041 178.4631 12 Q 3.9168 7.9783 118.1306 58.9980 28.9063 178.4261 13 L 3.6016 8.6077 120.3193 57.7657 41.6548 179.5796 14 A 3.9824 7.9570 120.7005 54.9122 18.1879 179.7031 15 R 3.8371 7.6115 116.6821 59.3016 30.1753 178.6912 16 L 3.6835 7.7804 119.1316 57.5759 41.3378 179.6615 17 K 4.2027 7.7989 118.3910 59.5100 31.7485 179.4486 18 R 3.9298 7.9603 118.9250 59.3734 29.9168 178.5210 19 E 4.0787 8.4729 118.8305 59.3356 29.3185 178.9119 20 F 4.2448 8.7014 120.0056 61.5041 39.4789 176.6386 21 N 4.4995 8.3899 115.3211 56.2282 38.3667 177.0264 22 E 4.3658 7.7982 119.2212 57.9121 29.7340 177.0068 23 N 4.6936 8.2086 118.7945 52.3289 40.8417 174.1847 24 R 3.3473 8.3953 122.4526 57.1289 29.9983 175.9100 25 Y 4.8006 7.8227 116.5208 56.1418 40.5134 175.3301 26 L 4.1926 8.4768 124.6330 54.3898 42.9064 176.9947 27 T 4.5188 7.8924 112.1975 60.1066 72.2160 175.5056 28 E 3.8795 8.4814 121.6936 59.3846 29.6411 178.8856 29 R 3.8357 7.8630 118.2081 59.4897 30.2989 178.3545 30 R 3.8592 7.9730 118.5569 59.3302 30.1457 178.3196 31 R 3.8041 8.2890 118.9825 59.4786 30.0554 178.5972 32 Q 3.9819 8.2453 117.8765 59.1224 28.6593 178.7314 33 Q 4.0208 8.2038 119.0886 58.8830 28.6678 178.8193 34 L 3.9678 8.0121 120.1498 57.5656 41.5441 179.3186 35 S 4.1241 7.9600 112.9754 61.7223 62.3702 175.8616 36 S 4.0785 7.9722 115.5052 61.6323 61.9158 175.8719 37 E 3.9830 8.4564 121.2475 59.0887 29.4290 178.3732 38 L 4.2388 8.0896 116.4689 54.1709 42.5912 176.1935 39 G 3.8112 7.7171 105.8950 46.6181 0.0000 172.8854 40 L 4.9236 8.0609 116.5006 52.4278 46.4931 176.8728 41 N 4.6921 9.0327 117.6351 52.9088 39.4010 176.7989 42 E 4.0387 8.8505 120.4988 59.5476 29.4301 179.6734 43 A 4.1148 8.0143 120.5082 55.1365 18.4540 179.5406 44 Q 4.1592 8.1502 116.3483 59.0242 28.7500 178.8674 45 I 3.8348 7.8223 120.4652 64.2614 37.2973 177.9724 46 K 3.9455 8.1492 120.4229 59.9730 32.0203 178.8836 47 I 3.9208 8.1964 119.8801 63.8324 36.8971 178.3481 48 W 4.0127 8.5789 129.6863 60.4451 30.5833 178.1721 49 F 3.9701 9.0771 118.0421 60.2581 38.2308 177.5696 50 K 3.9931 8.3203 119.3229 59.7815 32.0032 178.7367 51 N 4.2277 8.0262 116.7254 55.7424 38.3183 177.4783 52 K 3.1308 7.4200 121.2387 59.2393 32.1053 178.8815 53 R 3.9617 7.7425 118.0531 59.5083 29.7749 178.9448 54 A 3.9788 7.4212 119.3903 54.7161 18.6044 179.3949 55 K 3.9218 7.9621 118.3620 59.8340 32.1150 179.1553 56 I 3.6886 7.4939 118.6282 64.3359 37.0178 178.2124 57 K 4.0970 7.8746 118.8181 58.1507 32.7101 178.4379 58 K 4.5009 7.7033 119.5429 56.3023 31.5201 176.6330 59 S 4.3448 7.7602 119.0526 59.6242 63.0518 174.7997 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 5 R 8.24 4.23 0.00 1.78 1.94 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 6 T 8.12 3.55 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 1.07 0.00 0.00 7 A 8.67 4.45 1.19 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 0.00 0.00 8 F 8.45 4.45 0.00 3.07 2.91 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 9 S 9.10 4.49 0.00 4.07 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 10 S 8.62 4.00 0.00 4.07 4.19 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 11 E 8.07 3.94 0.00 2.02 1.97 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 2.36 2.33 0.00 12 Q 7.98 3.92 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 L 8.61 3.60 0.00 1.63 1.71 1.06 0.68 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 14 A 7.96 3.98 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 15 R 7.61 3.84 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 16 L 7.78 3.68 0.00 0.59 0.13 -0.43 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.80 4.20 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.68 7.81 18 R 7.96 3.93 0.00 2.13 2.06 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 19 E 8.47 4.08 0.00 2.41 2.27 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 2.61 2.53 0.00 20 F 8.70 4.24 0.00 2.98 3.30 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 21 N 8.39 4.50 0.00 2.91 2.90 0.00 0.00 7.10 7.37 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 22 E 7.80 4.37 0.00 2.14 2.03 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 2.55 2.48 0.00 23 N 8.21 4.69 0.00 2.60 2.73 0.00 0.00 7.31 7.20 0.00 0.00 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 R 8.40 3.35 0.00 0.92 0.95 0.00 2.81 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 25 Y 7.82 4.80 0.00 3.00 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 26 L 8.48 4.19 0.00 1.48 1.39 0.46 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.89 4.52 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 1.21 0.00 0.00 28 E 8.48 3.88 0.00 2.04 1.97 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 2.37 2.36 0.00 29 R 7.86 3.84 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 30 R 7.97 3.86 0.00 1.95 1.83 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 R 8.29 3.80 0.00 1.85 2.02 0.00 3.38 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 Q 8.25 3.98 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 33 Q 8.20 4.02 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.74 0.00 34 L 8.01 3.97 0.00 1.91 1.70 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.96 4.12 0.00 3.93 4.05 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 36 S 7.97 4.08 0.00 4.05 3.97 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 37 E 8.46 3.98 0.00 1.97 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 2.34 2.41 0.00 38 L 8.09 4.24 0.00 1.70 1.71 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.72 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 0.00 0.00 0.00 40 L 8.06 4.92 0.00 1.64 1.78 1.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.03 4.69 0.00 2.80 2.76 0.00 0.00 7.40 7.18 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 42 E 8.85 4.04 0.00 2.03 2.02 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 0.00 2.41 2.40 0.00 43 A 8.01 4.11 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.15 4.16 0.00 2.48 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 45 I 7.82 3.83 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.87 0.93 0.00 0.00 46 K 8.15 3.95 0.00 2.00 2.08 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.69 7.81 47 I 8.20 3.92 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 1.01 0.00 0.00 48 W 8.58 4.01 0.00 3.34 3.32 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 0.00 49 F 9.08 3.97 0.00 3.52 3.28 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 50 K 8.32 3.99 0.00 1.98 2.09 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 51 N 8.03 4.23 0.00 2.56 2.61 0.00 0.00 6.71 8.15 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 52 K 7.42 3.13 0.00 0.79 0.74 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.21 7.81 53 R 7.74 3.96 0.00 2.03 1.96 0.00 2.67 0.00 0.00 2.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 54 A 7.42 3.98 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 55 K 7.96 3.92 0.00 1.74 1.69 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.46 7.81 56 I 7.49 3.69 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.01 0.93 0.00 0.00 57 K 7.87 4.10 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.56 7.81 58 K 7.70 4.50 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.56 7.81 59 S 7.76 4.34 0.00 4.03 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