NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1281 8.0093 120.7866 61.0153 39.1800 174.5067 2 T 4.4612 8.2670 116.3717 59.4340 71.0760 171.5327 3 A 4.6740 8.8016 126.1133 50.6237 23.3689 177.0906 4 K 4.3551 8.2506 118.7843 54.8998 33.1430 175.7518 5 P 4.3389 0.0000 0.0000 62.0068 31.8435 176.5410 6 A 4.0064 8.5352 123.3382 52.7912 18.5817 178.2702 7 K 4.1856 8.8111 123.0470 59.0868 32.6096 177.6755 8 T 4.5862 7.3061 107.2121 57.9512 68.3263 170.6723 9 P 4.0437 0.0000 0.0000 64.3090 32.2011 176.2880 10 T 5.2632 8.4432 118.7830 61.0544 68.8110 175.2000 11 S 4.3423 8.4482 122.0635 57.5357 65.1193 173.0659 12 P 4.1786 0.0000 0.0000 65.5817 31.0764 178.8971 13 K 3.8896 7.9519 117.8932 59.5857 32.2425 178.4243 14 E 3.9560 8.0892 118.7699 59.7407 29.3233 179.5273 15 Q 3.9905 8.4175 117.9064 58.7830 28.6812 178.6959 16 A 3.9305 7.9695 122.0062 54.9149 18.2651 179.8636 17 I 3.7287 7.6688 118.4333 64.4742 37.1785 178.8617 18 G 3.5874 8.1087 106.5540 47.5905 0.0000 175.3516 19 L 3.8207 8.1154 123.2866 58.0194 42.1348 179.2262 20 S 4.0566 8.0019 114.9830 61.5508 62.6957 176.9753 21 V 3.6363 8.1439 121.1940 66.2342 30.8193 178.0660 22 T 4.0250 8.3048 115.7900 66.9164 68.3245 176.3765 23 F 4.1755 8.8877 119.9101 60.8832 38.9176 177.8930 24 L 4.1232 8.3760 118.6878 57.7482 41.1868 179.6708 25 S 4.2601 8.3907 113.5799 61.0646 61.9357 176.3478 26 F 4.2253 8.1968 120.2254 60.1811 39.0961 178.0550 27 L 4.2577 8.3079 118.7621 57.6493 41.3016 179.5241 28 L 4.0287 8.4401 119.3854 57.3233 41.6589 177.4626 29 P 4.2999 0.0000 0.0000 65.7315 31.3439 178.3307 30 A 4.1895 7.5844 116.4180 55.3819 18.3085 179.8708 31 G 3.7247 8.2792 104.1240 47.6502 0.0000 175.6453 32 W 4.2611 8.7005 131.0001 60.2633 30.5620 178.2322 33 V 3.6906 8.0073 116.7618 66.2541 31.2622 177.5828 34 L 4.1369 8.4766 119.1159 57.8887 41.1767 179.0147 35 Y 3.9910 8.2186 119.0397 60.8819 39.0955 177.0323 36 H 4.0099 7.4749 114.9447 55.6445 28.5568 176.9622 37 L 3.8680 7.0903 124.4508 58.2756 41.3310 179.2615 38 D 4.2578 7.6241 117.8897 56.9697 40.6679 178.1244 39 N 4.4182 7.4172 115.7963 55.2150 38.4835 176.3703 40 Y 4.6681 7.1506 117.0054 60.2511 38.8762 177.1136 41 K 4.3107 7.8138 118.1996 58.0955 32.8444 177.1663 42 K 4.4232 7.0566 120.4174 54.4469 32.5647 175.8996 43 S 4.3033 8.2497 119.9021 58.9865 63.7245 176.0270 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 4.13 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 1.35 0.91 0.00 0.00 2 T 8.27 4.46 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 8.80 4.67 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 8.25 4.36 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 5 P 0.00 4.34 0.00 2.04 1.98 0.00 3.70 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 2.02 2.08 0.00 6 A 8.54 4.01 1.28 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 0.00 0.00 7 K 8.81 4.19 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.31 4.59 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 4.04 0.00 2.05 2.07 0.00 3.64 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 2.04 2.29 0.00 10 T 8.44 5.26 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 1.23 0.00 0.00 11 S 8.45 4.34 0.00 4.03 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 4.18 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 13 K 7.95 3.89 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 8.09 3.96 0.00 2.31 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 2.32 2.35 0.00 15 Q 8.42 3.99 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 16 A 7.97 3.93 1.33 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 0.00 0.00 17 I 7.67 3.73 2.03 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 0.91 0.91 0.00 0.00 18 G 8.11 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 8.12 3.82 0.00 1.75 1.46 0.62 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.00 4.06 0.00 3.94 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 8.14 3.64 2.20 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 1.15 0.00 0.00 0.99 0.00 0.00 22 T 8.30 4.02 4.57 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 1.33 0.00 0.00 23 F 8.89 4.18 0.00 2.99 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 24 L 8.38 4.12 0.00 1.92 1.78 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.39 4.26 0.00 4.05 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 26 F 8.20 4.23 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 27 L 8.31 4.26 0.00 1.82 1.78 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.44 4.03 0.00 1.76 1.75 0.94 0.94 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 29 P 0.00 4.30 0.00 2.18 2.12 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 30 A 7.58 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.26 0.00 3.52 3.53 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 33 V 8.01 3.69 2.38 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 1.08 0.00 0.00 1.31 0.00 0.00 34 L 8.48 4.14 0.00 2.01 1.76 0.98 0.75 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 35 Y 8.22 3.99 0.00 2.96 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 36 H 7.47 4.01 0.00 2.21 2.15 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.09 3.87 0.00 1.74 1.64 0.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.62 4.26 0.00 2.56 2.54 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 39 N 7.42 4.42 0.00 2.36 2.71 0.00 0.00 6.98 7.46 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 40 Y 7.15 4.67 0.00 3.03 2.88 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 41 K 7.81 4.31 0.00 1.69 1.91 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 42 K 7.06 4.42 0.00 1.68 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.25 4.30 0.00 3.94 3.71 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