NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2113 8.4449 118.7966 56.3979 30.2233 176.1947 3 E 3.9619 8.8662 121.2713 54.3615 29.6587 170.8855 4 K 3.7357 8.6134 133.1737 55.0362 31.7706 174.1661 5 P 4.6649 0.0000 0.0000 62.2970 29.0558 177.2766 6 K 4.0019 8.0500 125.1923 59.7258 33.1647 179.9710 7 G 3.6265 8.1664 105.5781 47.6932 0.0000 175.7680 8 A 4.0868 7.9454 123.5007 54.2171 18.3368 179.6495 9 L 3.8539 7.6825 117.4914 58.1009 41.8094 179.5122 10 A 4.0486 7.6242 119.1138 54.8990 18.2882 179.9723 11 V 3.5349 7.7622 117.2836 66.1243 31.7943 177.9239 12 I 4.0347 7.6880 111.1966 62.1915 37.6010 177.6942 13 L 3.9066 7.8179 123.4043 58.2380 41.9499 178.5534 14 V 3.5716 7.7964 118.1984 66.0008 31.3625 177.5774 15 L 3.9177 7.7283 119.3802 58.5274 41.9597 179.0412 16 T 3.8380 7.9331 115.4572 66.8174 68.4181 176.7312 17 L 4.1102 8.3276 120.9899 57.6978 41.5179 179.9119 18 T 4.0033 8.1394 116.2559 66.8268 68.5516 176.6771 19 I 3.7428 7.9956 121.9641 64.5668 37.0184 178.5303 20 L 4.0670 7.9680 119.3578 57.9047 41.4778 179.6313 21 V 3.6187 7.7370 117.7440 66.0469 31.3251 177.9217 22 F 3.9622 8.6567 117.5184 60.3521 38.8072 177.5614 23 W 4.0366 8.5345 127.7595 60.4726 30.6375 178.1479 24 L 4.3277 9.1502 120.1672 57.9409 40.8692 179.6357 25 G 3.7169 8.5515 105.9891 47.7444 0.0000 175.4465 26 V 3.6794 7.6237 119.8388 65.0128 31.5829 177.4547 27 Y 4.0231 7.9675 119.4536 60.5454 38.0729 177.8792 28 A 4.1429 8.4549 121.8682 54.9598 18.5752 179.7207 29 V 3.6784 7.4065 116.5997 65.7032 31.3329 177.8544 30 F 3.9711 8.7177 120.9242 61.5068 38.9109 177.1437 31 F 3.8614 7.9732 115.6810 59.8237 38.7799 177.3970 32 A 4.1557 7.5454 119.2079 54.9155 18.3278 179.2666 33 R 4.1215 7.6260 114.1022 57.5273 30.4048 177.5843 34 G 3.4383 7.0841 110.1627 44.7828 0.0000 173.1709 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 2 E 8.44 4.21 0.00 2.09 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 2.17 2.34 0.00 3 E 8.87 3.96 0.00 1.97 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 2.27 2.31 0.00 4 K 8.61 3.74 0.00 1.88 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.41 7.81 5 P 0.00 4.66 0.00 2.25 2.20 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 6 K 8.05 4.00 0.00 1.84 1.90 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.59 7.81 7 G 8.17 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.09 1.32 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 9 L 7.68 3.85 0.00 1.68 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.62 4.05 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 11 V 7.76 3.53 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 1.04 0.00 0.00 1.01 0.00 0.00 12 I 7.69 4.03 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 1.40 0.79 0.90 0.00 0.00 13 L 7.82 3.91 0.00 2.00 1.84 0.92 0.73 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 14 V 7.80 3.57 2.24 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 1.04 0.00 0.00 0.96 0.00 0.00 15 L 7.73 3.92 0.00 1.81 1.78 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.93 3.84 4.41 0.00 0.00 0.00 0.00 0.00 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 17 L 8.33 4.11 0.00 1.85 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.14 4.00 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 1.32 0.00 0.00 19 I 8.00 3.74 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.91 0.00 0.00 20 L 7.97 4.07 0.00 1.78 1.77 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.74 3.62 2.21 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 1.13 0.00 0.00 1.00 0.00 0.00 22 F 8.66 3.96 0.00 3.49 3.20 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 0.00 0.00 0.00 0.00 23 W 8.53 4.04 0.00 3.70 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 24 L 9.15 4.33 0.00 2.07 1.82 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.55 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 26 V 7.62 3.68 2.04 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 0.80 0.00 0.00 0.94 0.00 0.00 27 Y 7.97 4.02 0.00 3.05 3.14 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 0.00 0.00 0.00 0.00 28 A 8.45 4.14 1.43 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 0.00 0.00 0.00 29 V 7.41 3.68 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 0.98 0.00 0.00 0.95 0.00 0.00 30 F 8.72 3.97 0.00 3.01 2.96 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 31 F 7.97 3.86 0.00 3.07 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 32 A 7.55 4.16 1.34 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 0.00 0.00 33 R 7.63 4.12 0.00 1.59 1.82 0.00 3.09 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 34 G 7.08 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00