NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0890 8.0093 120.7866 61.2595 38.3617 174.5932 2 T 4.4298 8.1025 117.8878 59.7366 71.0834 172.1314 3 A 4.5846 8.7067 124.3358 50.7289 22.8495 177.8899 4 K 4.1431 8.4523 120.3570 55.6593 32.7799 175.4621 5 P 4.4131 0.0000 0.0000 61.8512 32.1171 176.0254 6 A 3.9594 8.5471 121.7374 52.9921 18.4937 178.3316 7 K 4.1671 8.7377 122.7602 59.1293 33.0036 177.8209 8 T 4.6848 7.3812 107.0486 59.2890 68.4439 171.5726 9 P 4.1063 0.0000 0.0000 63.8225 32.2932 176.9610 10 T 4.3847 8.0737 117.6600 61.3005 68.5121 174.8665 11 S 4.2553 8.4936 121.6523 57.6875 64.8697 173.2561 12 P 4.2005 0.0000 0.0000 66.0421 31.1685 178.7411 13 K 3.8633 8.0975 116.2918 59.6629 32.0077 178.8516 14 E 3.9366 7.7739 117.4000 59.5697 29.4286 179.3972 15 Q 3.9475 8.1100 117.6106 59.0550 28.9008 178.7181 16 A 3.9698 8.3003 121.9890 55.3317 18.2137 179.7529 17 I 3.6900 7.7481 117.9784 64.6353 37.2780 178.9283 18 G 3.6185 8.0938 106.4517 47.7786 0.0000 175.4023 19 L 3.9418 8.4005 122.9181 57.8591 42.0084 179.3248 20 S 4.0410 7.8171 115.2044 61.4338 62.8150 176.7718 21 V 3.6542 8.1180 121.2971 66.1725 30.7381 178.2130 22 T 4.0573 8.0442 115.5074 66.7987 68.3284 176.6092 23 F 4.2390 8.4529 119.6264 60.6881 38.9837 177.7623 24 L 4.1442 8.2249 118.8801 57.8553 41.2464 179.7343 25 S 4.4838 8.2529 112.8855 60.8343 62.6357 176.2391 26 F 4.1993 7.9508 120.7125 60.1847 39.1152 178.0500 27 L 4.1746 8.4625 118.9900 57.8783 41.4217 179.1386 28 L 4.0717 8.6395 119.5331 57.1942 41.4782 177.3836 29 P 4.3523 0.0000 0.0000 66.0304 31.2911 178.6118 30 A 4.2221 7.7278 116.3214 54.9445 18.3381 179.8391 31 G 3.6769 8.3539 104.4658 47.7802 0.0000 175.3615 32 W 4.2349 8.6734 130.1052 60.2756 31.1424 177.5967 33 V 3.8328 8.1026 117.6181 66.3937 31.1410 177.9664 34 L 4.0331 8.3315 118.6493 58.1561 41.2702 179.0116 35 Y 4.0215 8.6085 118.5996 60.1727 38.9878 176.8516 36 H 4.1432 7.7602 114.7213 55.0136 29.1190 176.3655 37 L 4.0743 7.3257 122.6884 58.3645 41.2743 178.9867 38 D 4.2483 7.6908 115.9591 57.1651 41.3817 177.5703 39 N 4.3131 7.7717 117.0041 56.4208 38.4684 176.8652 40 Y 4.3619 7.1612 117.4602 61.1623 37.8960 178.3960 41 K 4.2816 8.0805 116.0877 57.6774 32.2143 178.1824 42 K 4.2839 8.0265 118.1398 55.6702 32.9316 176.1108 43 S 4.3844 8.0591 119.1707 58.4437 63.9321 168.2437 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 4.09 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 8.10 4.43 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 8.71 4.58 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.14 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 5 P 0.00 4.41 0.00 2.17 2.05 0.00 3.80 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 1.98 1.96 0.00 6 A 8.55 3.96 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 7 K 8.74 4.17 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.38 4.68 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 4.11 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 10 T 8.07 4.38 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 11 S 8.49 4.26 0.00 4.02 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 12 P 0.00 4.20 0.00 2.16 2.16 0.00 3.60 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 2.11 2.20 0.00 13 K 8.10 3.86 0.00 1.83 1.86 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 14 E 7.77 3.94 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 15 Q 8.11 3.95 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 16 A 8.30 3.97 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 17 I 7.75 3.69 2.09 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 0.87 0.91 0.00 0.00 18 G 8.09 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 19 L 8.40 3.94 0.00 1.64 1.45 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.82 4.04 0.00 4.09 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 8.12 3.65 2.12 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 1.07 0.00 0.00 1.02 0.00 0.00 22 T 8.04 4.06 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 23 F 8.45 4.24 0.00 3.12 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 24 L 8.22 4.14 0.00 2.06 1.79 1.02 0.96 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 25 S 8.25 4.48 0.00 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.20 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.17 0.00 1.74 1.78 0.98 0.50 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 28 L 8.64 4.07 0.00 1.67 1.72 0.95 1.09 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 4.35 0.00 2.16 2.13 0.00 3.78 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 2.09 2.16 0.00 30 A 7.73 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.67 4.23 0.00 3.31 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 33 V 8.10 3.83 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 1.08 0.00 0.00 1.24 0.00 0.00 34 L 8.33 4.03 0.00 1.90 1.76 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.61 4.02 0.00 2.91 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 H 7.76 4.14 0.00 2.41 2.34 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.33 4.07 0.00 1.79 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.69 4.25 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.31 0.00 2.29 2.61 0.00 0.00 6.99 6.76 0.00 0.00 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 7.16 4.36 0.00 3.14 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 8.08 4.28 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 42 K 8.03 4.28 0.00 1.94 1.81 0.00 1.85 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 43 S 8.06 4.38 0.00 4.00 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