NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9431 8.3393 109.7359 45.1505 0.0000 172.9254 2 S 4.0001 8.4966 114.0221 57.8150 63.4285 172.0922 3 S 4.3603 8.9172 119.2593 59.8872 63.8002 175.2012 4 G 4.2493 7.7821 107.4722 43.6290 0.0000 172.6103 5 S 4.5547 8.6107 114.8072 57.6640 64.7868 174.1234 6 S 4.6523 8.0317 114.3502 56.5557 64.7232 173.5858 7 G 3.9566 8.0170 118.0394 45.3542 0.0000 172.3616 8 K 4.5391 8.0195 126.2681 54.6052 35.3383 173.4300 9 Y 5.0818 8.0640 117.7912 56.5801 42.6035 174.8126 10 V 4.6985 8.5611 118.9730 60.0037 34.9142 174.6357 11 K 4.7031 8.2943 124.9640 54.6116 32.9338 175.8889 12 I 3.7144 8.9056 129.5733 62.5172 37.6190 176.8576 13 L 4.1809 8.3204 125.4824 55.6402 43.2737 176.7399 14 Y 4.8827 7.7417 114.6970 55.4830 41.2606 175.4839 15 D 4.4513 9.0435 123.7686 53.7532 40.1739 175.2169 16 F 4.8543 8.9090 126.1470 56.5703 42.4243 174.3503 17 T 4.3670 7.4929 121.8875 61.0302 69.2885 172.8004 18 A 4.0646 8.6394 127.1038 52.4363 18.1063 177.6038 19 R 3.9747 9.0483 122.1532 58.9953 30.6457 175.9700 20 N 5.0248 7.8966 112.8693 51.5412 42.9214 174.8500 21 A 4.0319 8.8125 121.1464 55.7920 18.3172 178.6493 22 N 4.4320 8.4030 113.0711 55.9187 37.1839 174.4974 23 E 5.4873 7.6569 116.7277 54.6452 31.1712 175.6162 24 L 4.9205 8.6948 123.9543 53.4034 44.4387 175.5741 25 S 5.0251 8.7538 120.7066 57.5671 64.2511 173.4365 26 V 4.6991 8.7859 117.2394 59.5062 36.3087 173.7238 27 L 4.9908 8.4176 120.2912 52.7115 45.5191 176.1668 28 K 4.0510 8.5479 120.8056 56.8530 32.9716 175.9369 29 D 4.4814 8.2649 124.6304 55.2423 40.2000 173.2218 30 E 4.7616 7.8649 115.3913 54.1826 32.7902 175.1489 31 V 5.2938 8.0544 120.2580 60.5047 33.9366 174.7398 32 L 4.7451 8.5905 127.7154 53.2626 45.5078 174.4735 33 E 5.0259 8.3944 121.1245 54.5547 31.0433 175.5041 34 V 4.0386 8.4047 127.7885 62.0765 31.7365 175.2908 35 L 4.5378 8.7238 123.6887 55.5142 44.1042 176.7360 36 E 4.7445 8.0580 118.2155 54.4170 32.0458 175.0194 37 D 4.0664 8.0334 122.7793 51.3344 43.6040 176.1306 38 G 4.0093 8.7079 103.4431 46.1592 0.0000 173.0172 39 R 4.7756 7.4399 118.4700 53.6945 32.8129 174.7948 40 Q 3.9722 8.2587 117.7294 58.1933 29.1846 177.1816 41 W 4.9299 7.9510 117.8049 54.8100 31.8382 175.4417 42 W 5.0339 8.7603 123.4309 56.4193 30.7928 175.5839 43 K 5.2590 8.6422 123.4865 54.2509 33.3348 175.3791 44 L 5.5876 8.2559 127.1992 52.8258 44.6362 175.5919 45 R 5.0260 8.1286 119.3568 54.9007 33.4679 174.8876 46 S 4.4184 8.9413 121.1861 57.7226 63.2137 174.8631 47 R 4.1559 8.3386 121.2294 58.5200 29.9827 178.6437 48 S 4.1526 7.9549 113.3854 60.0816 63.0025 175.0512 49 G 4.1515 7.8820 107.9548 45.1939 0.0000 173.1182 50 Q 4.7571 8.0260 117.6838 54.2269 31.4176 174.4872 51 A 5.0963 8.3680 122.3949 50.5694 22.4652 175.4835 52 G 4.1594 8.7629 107.8519 45.5755 0.0000 170.7099 53 Y 5.6091 9.9146 117.7489 56.7065 40.5204 175.9678 54 V 4.9051 8.9854 115.1161 58.9808 37.1330 172.7969 55 P 2.9700 0.0000 0.0000 61.9872 31.9535 176.9421 56 C 3.6426 7.5416 114.4158 58.9003 30.1496 175.0151 57 N 4.1917 7.4400 119.5738 56.3228 38.7913 175.6018 58 I 4.1777 6.9999 109.8201 62.5621 38.3958 175.8559 59 L 4.1688 6.7166 119.2083 55.1199 41.8336 176.6363 60 G 4.1860 8.1400 104.8885 45.1235 0.0000 172.5759 61 E 4.5655 8.9843 121.5953 56.2404 30.1574 176.2639 62 A 4.7261 8.7060 127.5836 50.4215 20.7779 175.9909 63 S 4.7251 8.4625 116.4290 56.6680 66.2809 173.1694 64 G 4.2518 8.2676 109.4387 42.9126 0.0000 171.9779 65 P 4.2766 0.0000 0.0000 65.1985 31.5717 177.4424 66 S 4.4430 7.3583 119.7526 55.9149 63.5711 173.3476 67 S 4.3985 8.0545 114.1178 57.7220 63.3139 176.7611 68 G 3.7394 8.6907 114.5949 45.7938 0.0000 171.9167 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 8.34 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 0.00 0.00 0.00 2 S 8.50 4.00 0.00 4.07 3.89 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 3 S 8.92 4.36 0.00 3.83 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 4 G 7.78 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.61 4.55 0.00 3.97 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 6 S 8.03 4.65 0.00 3.95 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 7 G 8.02 3.96 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 0.00 0.00 0.00 8 K 8.02 4.54 0.00 1.52 1.50 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.32 7.81 9 Y 8.06 5.08 0.00 2.87 2.78 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 10 V 8.56 4.70 2.34 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 0.82 0.00 0.00 1.17 0.00 0.00 11 K 8.29 4.70 0.00 1.82 1.77 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.53 7.81 12 I 8.91 3.71 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.96 0.00 0.00 13 L 8.32 4.18 0.00 1.40 1.09 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.74 4.88 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.04 4.45 0.00 2.73 2.82 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 16 F 8.91 4.85 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.37 4.01 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 0.00 0.00 1.13 0.00 0.00 18 A 8.64 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.05 3.97 0.00 2.13 2.02 0.00 3.26 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 20 N 7.90 5.02 0.00 3.07 2.71 0.00 0.00 7.10 6.94 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 21 A 8.81 4.03 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 22 N 8.40 4.43 0.00 3.11 3.22 0.00 0.00 6.18 7.68 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 23 E 7.66 5.49 0.00 2.19 2.37 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 2.88 2.26 0.00 24 L 8.69 4.92 0.00 1.63 1.63 0.98 1.04 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 25 S 8.75 5.03 0.00 3.96 3.98 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 0.00 0.00 0.00 0.00 26 V 8.79 4.70 2.15 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 0.91 0.00 0.00 1.06 0.00 0.00 27 L 8.42 4.99 0.00 1.72 1.58 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.55 4.05 0.00 1.84 1.68 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.57 7.81 29 D 8.26 4.48 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.86 4.76 0.00 2.22 1.84 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 2.31 2.29 0.00 31 V 8.05 5.29 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 0.58 0.00 0.00 0.91 0.00 0.00 32 L 8.59 4.75 0.00 1.68 1.65 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.39 5.03 0.00 2.23 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 2.20 2.12 0.00 34 V 8.40 4.04 2.06 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 0.50 0.00 0.00 0.63 0.00 0.00 35 L 8.72 4.54 0.00 1.51 1.66 0.88 0.60 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 36 E 8.06 4.74 0.00 1.95 1.94 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 2.29 2.29 0.00 37 D 8.03 4.07 0.00 1.58 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 0.00 0.00 0.00 0.00 38 G 8.71 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.44 4.78 0.00 2.04 1.97 0.00 3.36 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 Q 8.26 3.97 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 41 W 7.95 4.93 0.00 3.03 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.76 5.03 0.00 3.30 3.02 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 0.00 0.00 0.00 43 K 8.64 5.26 0.00 1.46 1.61 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.07 0.45 7.81 44 L 8.26 5.59 0.00 1.67 1.64 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.13 5.03 0.00 1.82 1.73 0.00 3.19 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 46 S 8.94 4.42 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.34 4.16 0.00 1.85 1.98 0.00 3.44 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 48 S 7.95 4.15 0.00 4.00 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 49 G 7.88 4.15 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 0.00 50 Q 8.03 4.76 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 51 A 8.37 5.10 1.11 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 0.00 0.00 52 G 8.76 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 0.00 0.00 0.00 0.00 53 Y 9.91 5.61 0.00 3.17 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 54 V 8.99 4.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.98 0.00 0.00 55 P 0.00 2.97 0.00 1.43 0.67 0.00 2.44 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.00 56 C 7.54 3.64 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.44 4.19 0.00 2.38 2.62 0.00 0.00 6.83 7.81 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 58 I 7.00 4.18 2.02 0.00 0.00 0.55 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 0.80 0.75 0.00 0.00 59 L 6.72 4.17 0.00 1.15 1.34 0.44 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.14 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 0.00 0.00 0.00 61 E 8.98 4.57 0.00 1.92 1.96 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 2.40 2.43 0.00 62 A 8.71 4.73 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 63 S 8.46 4.73 0.00 3.94 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 64 G 8.27 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.28 0.00 2.19 2.18 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 66 S 7.36 4.44 0.00 3.83 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 67 S 8.05 4.40 0.00 3.92 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 68 G 8.69 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