NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4219 8.2893 118.1909 55.0520 33.5711 175.6763 2 T 4.2360 7.6192 108.7552 61.3493 69.5780 172.6794 3 E 4.2256 8.1241 122.4006 58.3346 30.5416 179.4180 4 E 3.9058 7.9870 119.9684 59.2953 29.8603 177.7327 5 M 4.0307 7.6214 117.2178 59.0450 32.3415 178.2945 6 L 4.1796 7.9260 118.3841 57.7226 41.8992 178.7534 7 Y 3.9667 7.9852 119.6404 60.5889 38.6978 178.1442 8 A 3.9646 8.3517 121.3242 55.2115 18.6182 179.0163 9 A 3.9794 8.5209 119.4645 55.7189 18.3162 179.7557 10 L 3.9186 8.4540 116.9693 58.1117 41.7517 180.0333 11 L 3.8443 7.9225 118.9688 57.5064 41.2929 179.7505 12 S 4.1209 8.3751 114.0051 61.9070 62.8743 175.7384 13 F 4.0772 8.4968 124.9621 60.7396 39.1751 176.8764 14 G 4.1893 9.7658 105.9559 48.4347 0.0000 175.3465 15 L 4.1756 8.7724 121.4240 57.0686 41.3977 179.1768 16 I 3.5253 7.3391 119.6224 64.8335 36.9964 178.0777 17 F 4.2216 7.6521 117.4476 60.7702 38.8082 177.8139 18 V 3.8259 7.9818 117.5525 65.7846 31.0352 178.4801 19 G 3.5769 8.3054 105.2961 47.7064 0.0000 174.9820 20 W 4.5549 9.2947 132.4562 60.3088 30.6425 177.8488 21 G 3.6216 8.7328 105.4722 48.0615 0.0000 174.8739 22 L 4.2376 8.2028 123.2482 57.7441 41.6574 179.5519 23 G 3.5807 8.2614 105.2586 47.7175 0.0000 175.4500 24 V 3.8083 7.9552 120.9604 65.6897 31.4419 177.2728 25 L 3.9165 8.3821 120.1567 58.6004 41.6753 179.0434 26 L 3.9893 7.7561 117.9690 57.6660 41.4946 179.6871 27 L 3.9961 8.4497 119.2819 57.7516 41.4122 179.1628 28 K 3.8490 8.0711 116.4695 59.8842 32.1635 178.8079 29 I 3.7904 7.9584 117.8102 63.4491 37.8898 177.1268 30 Q 4.2805 7.5106 117.6701 56.7912 30.1333 176.2977 31 G 4.1137 8.1649 108.7146 46.0706 0.0000 173.2937 32 A 4.3118 7.6376 124.1867 52.1131 19.2721 177.2370 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 M 8.29 4.42 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 2 T 7.62 4.24 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 1.21 0.00 0.00 3 E 8.12 4.23 0.00 1.95 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 2.40 2.34 0.00 4 E 7.99 3.91 0.00 2.00 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 2.40 2.36 0.00 5 M 7.62 4.03 0.00 2.42 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 6 L 7.93 4.18 0.00 1.82 1.75 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.99 3.97 0.00 3.34 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 8 A 8.35 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 3.98 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 10 L 8.45 3.92 0.00 1.63 1.69 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.92 3.84 0.00 1.74 1.73 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.38 4.12 0.00 4.03 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 13 F 8.50 4.08 0.00 3.41 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 14 G 9.77 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 15 L 8.77 4.18 0.00 1.77 1.75 0.97 1.09 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 16 I 7.34 3.53 1.54 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.28 0.00 0.00 17 F 7.65 4.22 0.00 3.37 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.83 2.27 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 1.05 0.00 0.00 1.07 0.00 0.00 19 G 8.31 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 W 9.29 4.55 0.00 3.24 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 21 G 8.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.24 0.00 2.14 1.84 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.26 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.96 3.81 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 1.04 0.00 0.00 1.17 0.00 0.00 25 L 8.38 3.92 0.00 1.82 1.82 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.76 3.99 0.00 1.97 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.45 4.00 0.00 1.81 1.73 0.97 0.80 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 28 K 8.07 3.85 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 29 I 7.96 3.79 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 1.58 0.62 0.97 0.00 0.00 30 Q 7.51 4.28 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.06 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 31 G 8.16 4.11 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 0.00 32 A 7.64 4.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00