NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2543 8.1701 115.2473 62.1222 68.7056 173.2730 2 A 4.1861 7.8914 128.5755 50.3528 22.4511 173.1824 3 S 3.2911 9.2266 111.9617 59.9924 63.2554 174.2557 4 C 3.8596 6.7928 118.6706 57.5091 35.8990 171.6860 5 Q 4.6713 7.2133 128.5311 53.8493 31.2234 175.2617 6 D 4.2666 8.9440 116.1776 58.0217 41.6049 178.2062 7 M 4.6267 7.6986 115.9816 53.3423 31.2801 175.2571 8 S 4.1872 7.1502 109.0121 61.4800 64.4066 175.2508 9 C 4.9169 7.8262 114.0843 55.3366 40.9575 174.5793 10 S 3.8276 8.1650 109.1648 58.9837 60.7780 172.9264 11 K 3.8710 8.1129 115.9700 57.9295 29.0582 174.6726 12 Q 4.5693 8.0836 113.2891 54.7718 30.0678 174.0484 13 G 3.2140 7.0139 102.5695 45.6588 0.0000 172.3739 14 E 4.8283 7.4053 119.2866 54.5098 32.1628 175.2683 15 C 5.0527 8.7790 120.7217 56.9972 35.9883 174.2849 16 L 4.6575 8.7440 124.7099 52.3896 40.7859 175.7741 17 E 4.8350 8.4108 121.6250 57.1034 30.9911 176.1503 18 T 4.5778 8.7510 109.9458 60.6816 71.5842 174.1192 19 I 3.9177 8.5847 120.2510 62.7248 37.8898 176.1211 20 G 4.3475 7.4089 106.9770 45.7232 0.0000 173.1949 21 N 4.5518 7.5054 118.9517 54.0916 42.4006 171.3003 22 Y 5.2944 8.3585 113.0430 57.7256 40.9011 171.6340 23 T 4.5860 8.0965 107.9790 60.7642 72.2463 171.4827 24 C 5.3547 8.5879 117.2771 55.9397 40.2085 174.9049 25 S 4.5846 8.9640 119.7796 56.1659 62.6093 171.5183 26 C 4.2287 8.5185 124.1108 58.1454 35.3031 173.1643 27 Y 4.7632 8.1814 120.3349 57.6637 39.1971 174.6999 28 P 4.4799 0.0000 0.0000 66.3681 30.8705 174.6020 29 G 3.1207 8.0411 117.1395 44.8312 0.0000 171.8584 30 F 5.6113 7.0551 118.5447 56.2236 41.9686 173.2938 31 Y 4.7508 8.5388 119.0527 56.7022 40.9160 174.6697 32 G 4.3235 9.0063 105.1663 44.7799 0.0000 172.5698 33 P 4.4580 0.0000 0.0000 64.1984 31.1706 176.7069 34 E 4.4830 7.5112 116.2665 55.6199 31.6786 175.9400 35 C 4.5042 7.7957 114.7952 58.1076 38.1856 173.5604 36 E 3.8873 7.6135 114.4849 56.5204 30.6957 175.4188 37 Y 4.7187 7.1344 117.7637 56.3841 40.9034 174.6374 38 V 5.0129 8.1035 119.5798 61.5751 34.7179 176.0176 39 R 4.5041 9.1206 126.7289 55.2664 32.0873 176.4452 40 E 4.1003 8.8259 119.9146 57.4009 29.5444 177.1070 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 T 8.17 4.25 4.29 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 1.25 0.00 0.00 2 A 7.89 4.19 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 3 S 9.23 3.29 0.00 4.09 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 4 C 6.79 3.86 0.00 3.07 3.26 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 5 Q 7.21 4.67 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 6 D 8.94 4.27 0.00 2.63 2.73 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 0.00 7 M 7.70 4.63 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 8 S 7.15 4.19 0.00 4.09 3.92 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 9 C 7.83 4.92 0.00 2.92 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 10 S 8.17 3.83 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.87 0.00 1.82 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.35 7.81 12 Q 8.08 4.57 0.00 2.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 13 G 7.01 3.21 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 0.00 14 E 7.41 4.83 0.00 1.78 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 2.50 0.00 15 C 8.78 5.05 0.00 2.91 3.23 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 0.00 16 L 8.74 4.66 0.00 1.55 1.59 0.92 0.71 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 17 E 8.41 4.84 0.00 1.89 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 2.46 2.36 0.00 18 T 8.75 4.58 4.27 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 0.00 0.00 1.22 0.00 0.00 19 I 8.58 3.92 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.92 0.00 0.00 20 G 7.41 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.51 4.55 0.00 2.76 2.68 0.00 0.00 6.62 7.56 0.00 0.00 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 Y 8.36 5.29 0.00 3.17 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 23 T 8.10 4.59 4.12 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 1.14 0.00 0.00 24 C 8.59 5.35 0.00 2.69 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 25 S 8.96 4.58 0.00 3.86 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 26 C 8.52 4.23 0.00 2.97 3.24 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 27 Y 8.18 4.76 0.00 3.38 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 28 P 0.00 4.48 0.00 2.14 2.13 0.00 3.92 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 1.94 1.97 0.00 29 G 8.04 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 0.00 0.00 0.00 30 F 7.06 5.61 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 4.75 0.00 3.15 3.05 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 32 G 9.01 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 0.00 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.14 2.17 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 34 E 7.51 4.48 0.00 1.75 1.79 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 2.10 2.32 0.00 35 C 7.80 4.50 0.00 2.95 3.15 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 36 E 7.61 3.89 0.00 1.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 37 Y 7.13 4.72 0.00 1.43 2.05 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 38 V 8.10 5.01 2.26 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 1.16 0.00 0.00 1.09 0.00 0.00 39 R 9.12 4.50 0.00 1.74 1.91 0.00 3.13 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 40 E 8.83 4.10 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00