NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3483 8.1233 122.4607 51.8226 20.5546 175.8166 2 T 4.1681 8.3963 119.1189 62.7076 69.3106 172.2765 3 Q 4.3761 9.6411 127.9509 54.6350 33.4274 173.0180 4 T 5.2418 8.4575 121.7976 61.6994 71.1819 173.8286 5 V 4.6137 8.9014 124.9857 60.2236 35.2731 174.4512 6 T 4.8926 8.4834 119.2712 62.4748 70.4864 173.3614 7 L 5.1775 9.2089 126.8560 53.0945 44.4976 175.8765 8 S 4.8126 9.0076 120.4802 57.9316 64.4351 174.1348 9 V 5.1026 8.6209 123.5925 60.6117 30.4975 173.9658 10 P 4.2617 0.0000 0.0000 65.0151 31.8542 178.6965 11 G 3.8383 8.0748 105.9717 47.0192 0.0000 173.7385 12 M 4.3940 8.1310 122.1826 55.2292 30.3995 175.7774 13 T 4.5530 7.6498 108.9206 62.0974 71.3130 174.6514 14 C 4.7082 8.0030 116.9210 54.2109 43.2265 174.0934 15 S 3.6370 8.8308 115.5119 61.5336 61.9559 175.3205 16 A 4.3881 7.7896 119.8391 52.5880 19.1944 179.5102 17 C 4.1437 8.3011 115.7658 59.2163 38.3872 174.0208 18 P 4.1578 0.0000 0.0000 65.9356 30.9062 178.7359 19 I 3.6222 7.5988 117.7656 64.3055 37.0363 178.4929 20 T 3.7899 7.6616 116.4874 66.6314 68.3079 176.7879 21 V 3.4690 7.7031 120.1493 65.6877 31.4754 177.5229 22 K 3.7842 8.5861 119.9198 59.7345 32.0753 178.5067 23 K 3.8798 8.2544 118.2410 59.5262 31.8089 179.1146 24 A 4.0177 7.7908 119.3789 55.3199 18.5844 179.5169 25 I 3.8279 7.9375 118.2700 64.6303 37.0141 178.6807 26 S 4.1786 8.2202 115.2798 61.7605 62.6856 176.8143 27 K 4.1510 7.8062 119.8369 57.8663 32.2940 177.9304 28 V 3.6774 7.3293 120.7251 62.2481 31.8949 174.9658 29 E 4.2497 8.6077 126.0542 57.5077 30.1575 176.9885 30 G 4.0434 9.0773 110.2340 45.1592 0.0000 172.9519 31 V 4.3625 7.4031 119.9576 62.3838 32.0653 175.1901 32 S 4.5826 9.1668 122.8895 59.8666 63.5425 174.1786 33 K 4.7249 7.7963 118.9773 54.8062 35.9312 175.2710 34 V 4.8302 8.3565 125.1385 61.5286 34.5242 174.0437 35 D 4.9075 9.2266 128.9191 52.8453 42.8225 175.7331 36 V 4.6827 8.3502 117.0351 60.2642 33.7629 176.1920 37 T 4.3901 8.6543 120.3707 61.9148 71.0194 174.2728 38 F 4.2310 9.4043 129.2427 61.5899 39.5538 176.8576 39 E 3.4769 8.3458 120.0303 58.7400 29.3859 177.5309 40 T 4.2375 7.7370 105.1128 60.5182 70.0437 174.4611 41 R 3.6592 8.0053 121.5398 57.2346 28.0868 174.2703 42 Q 5.2106 8.0519 115.7322 54.7187 33.5251 175.5580 43 A 5.0435 8.9367 120.4908 50.3610 23.1294 175.2132 44 V 4.6782 8.5967 121.7378 61.1553 34.1657 174.3512 45 V 4.8579 8.9891 128.7438 61.4873 34.1124 174.1405 46 T 5.2225 9.1308 125.0905 61.9567 70.7405 173.5988 47 F 5.3291 8.6575 119.9389 55.7120 42.3203 172.6597 48 D 5.1078 9.1181 120.8330 53.3061 41.8578 176.1442 49 D 5.3077 9.4326 125.4459 53.4740 39.5851 177.0522 50 A 4.4277 8.5671 122.1382 53.0730 19.5525 178.3762 51 K 4.3916 7.9943 114.0231 57.3042 33.3885 175.6269 52 T 4.6362 7.5359 111.3121 61.0952 70.6158 171.6231 53 S 4.5789 7.8989 114.0860 55.7913 66.0089 175.0810 54 V 3.3617 8.2322 119.9525 65.8423 31.2189 177.8097 55 Q 3.9709 7.5863 119.3571 59.0802 28.8343 178.4625 56 K 4.0188 7.7516 119.1076 59.1182 32.0166 179.4896 57 L 3.8969 7.5124 119.2002 57.8888 41.6878 179.4209 58 T 3.9456 8.1564 111.5699 64.1997 68.6505 176.4726 59 K 3.8984 7.9590 121.9396 58.9059 32.2473 178.4489 60 A 3.9945 8.0066 121.4251 55.4125 18.2360 179.7887 61 T 3.9847 7.7982 107.5168 64.9393 68.9345 176.4647 62 A 3.9610 8.0885 124.0304 55.0902 18.1692 179.3058 63 D 4.3045 8.2035 115.8654 57.2410 40.9568 178.2761 64 A 4.3784 7.5206 117.8512 51.9997 18.9930 177.3663 65 G 3.4604 7.2923 103.9883 45.4327 0.0000 174.3696 66 Y 4.5975 7.7497 117.4703 54.4796 37.9845 173.0386 67 P 4.3372 0.0000 0.0000 63.0751 32.0830 175.6944 68 S 5.1920 8.3731 114.9657 56.8657 67.2000 172.4169 69 S 4.6449 8.7353 113.4278 56.5008 66.7392 173.4071 70 V 4.0692 8.3124 121.7522 62.8986 31.9411 175.7576 71 K 4.2485 8.9894 131.0970 55.6338 31.7853 176.7560 72 Q 4.1934 8.4166 125.1048 56.0119 28.8068 176.3607 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 A 8.12 4.35 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 2 T 8.40 4.17 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 1.12 0.00 0.00 3 Q 9.64 4.38 0.00 1.56 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 4 T 8.46 5.24 4.22 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 1.27 0.00 0.00 5 V 8.90 4.61 2.35 0.00 0.00 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 1.02 0.00 0.00 6 T 8.48 4.89 4.26 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 1.25 0.00 0.00 7 L 9.21 5.18 0.00 1.63 1.56 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.01 4.81 0.00 3.77 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 9 V 8.62 5.10 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 1.17 0.00 0.00 1.00 0.00 0.00 10 P 0.00 4.26 0.00 2.24 2.18 0.00 4.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 11 G 8.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.13 4.39 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 13 T 7.65 4.55 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 1.24 0.00 0.00 14 C 8.00 4.71 0.00 3.18 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 15 S 8.83 3.64 0.00 3.76 3.90 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 0.00 0.00 0.00 16 A 7.79 4.39 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 17 C 8.30 4.14 0.00 3.09 2.89 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 18 P 0.00 4.16 0.00 2.09 2.11 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 19 I 7.60 3.62 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 0.88 0.00 0.00 20 T 7.66 3.79 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 1.23 0.00 0.00 21 V 7.70 3.47 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 0.94 0.00 0.00 0.51 0.00 0.00 22 K 8.59 3.78 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 23 K 8.25 3.88 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 24 A 7.79 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.83 1.86 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 1.51 0.62 0.90 0.00 0.00 26 S 8.22 4.18 0.00 3.95 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 27 K 7.81 4.15 0.00 1.95 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.64 7.81 28 V 7.33 3.68 2.14 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 0.92 0.00 0.00 0.98 0.00 0.00 29 E 8.61 4.25 0.00 2.13 1.95 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 2.28 2.32 0.00 30 G 9.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 4.36 2.25 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 0.86 0.00 0.00 0.99 0.00 0.00 32 S 9.17 4.58 0.00 3.90 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 33 K 7.80 4.72 0.00 1.83 1.58 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.44 7.81 34 V 8.36 4.83 2.09 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 0.88 0.00 0.00 0.95 0.00 0.00 35 D 9.23 4.91 0.00 2.64 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 36 V 8.35 4.68 2.09 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 0.69 0.00 0.00 0.93 0.00 0.00 37 T 8.65 4.39 4.26 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 1.24 0.00 0.00 38 F 9.40 4.23 0.00 2.92 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 39 E 8.35 3.48 0.00 1.89 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 2.25 2.24 0.00 40 T 7.74 4.24 4.22 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 1.19 0.00 0.00 41 R 8.01 3.66 0.00 1.97 2.19 0.00 3.22 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 42 Q 8.05 5.21 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 43 A 8.94 5.04 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 44 V 8.60 4.68 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 1.08 0.00 0.00 0.95 0.00 0.00 45 V 8.99 4.86 2.18 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 1.08 0.00 0.00 0.95 0.00 0.00 46 T 9.13 5.22 4.36 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 1.19 0.00 0.00 47 F 8.66 5.33 0.00 3.31 3.12 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 48 D 9.12 5.11 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.43 5.31 0.00 2.80 2.68 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 0.00 50 A 8.57 4.43 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 51 K 7.99 4.39 0.00 1.91 1.91 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.34 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 52 T 7.54 4.64 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 53 S 7.90 4.58 0.00 3.99 3.91 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 54 V 8.23 3.36 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 1.04 0.00 0.00 0.98 0.00 0.00 55 Q 7.59 3.97 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 56 K 7.75 4.02 0.00 1.85 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.58 7.81 57 L 7.51 3.90 0.00 1.74 1.60 0.45 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.16 3.95 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 1.24 0.00 0.00 59 K 7.96 3.90 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.56 7.81 60 A 8.01 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.80 3.98 4.43 0.00 0.00 0.00 0.00 0.00 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 62 A 8.09 3.96 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 63 D 8.20 4.30 0.00 2.92 2.76 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 64 A 7.52 4.38 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.29 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.75 4.60 0.00 3.00 2.95 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 67 P 0.00 4.34 0.00 2.04 2.00 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 68 S 8.37 5.19 0.00 3.95 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 69 S 8.74 4.64 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.31 4.07 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 0.79 0.00 0.00 0.95 0.00 0.00 71 K 8.99 4.25 0.00 1.80 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.42 7.81 72 Q 8.42 4.19 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00