NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4343 8.3044 118.1886 55.1427 33.1395 175.2473 2 T 4.4407 7.8214 111.8270 61.3582 68.4835 170.1454 3 E 4.6828 8.2370 117.0978 55.9075 31.8650 176.5140 4 E 3.9530 7.9928 120.8158 58.4720 30.4052 177.2762 5 M 4.1630 8.3470 118.3522 59.1557 32.4414 178.8120 6 L 3.7235 7.1480 117.1209 57.4180 42.7377 178.9850 7 Y 3.9683 8.3204 115.2158 61.3840 37.7043 178.3820 8 A 4.2157 9.2408 122.2872 54.4165 18.8051 180.7923 9 A 3.1036 8.4249 110.2216 51.5727 20.4521 181.3051 10 L 3.2519 6.1372 117.8753 55.1012 44.7491 177.2845 11 L 4.3986 8.4014 117.7258 56.9361 41.8994 178.6870 12 S 4.0894 8.6494 113.7489 62.2124 62.3240 176.0528 13 F 3.9325 9.1012 124.3451 61.2489 39.2760 177.7766 14 G 4.0893 9.3156 105.2003 48.0618 0.0000 175.2208 15 L 4.3307 8.4212 120.7258 57.5215 41.6356 178.2180 16 I 3.5463 8.0718 118.5337 64.9843 36.8101 179.2786 17 F 4.3434 6.4415 115.9500 59.6890 39.5412 178.1004 18 V 3.8102 8.5184 117.8505 66.3920 31.3405 178.6224 19 G 3.6540 8.5472 105.2208 48.2464 0.0000 174.6877 20 W 4.6577 9.2895 130.8673 60.9898 30.4894 177.9719 21 G 3.4630 9.4149 105.1379 47.8177 0.0000 174.7329 22 L 4.0575 8.6519 124.2692 57.7476 41.7852 179.5072 23 G 3.5635 9.0772 104.5518 48.7512 0.0000 176.4616 24 V 3.6066 7.7978 121.5928 64.8073 32.0505 177.4129 25 L 3.9103 8.7632 120.9935 58.4792 41.0310 178.8208 26 L 3.9425 7.9482 118.6628 57.6523 41.3685 179.3001 27 L 4.0156 8.0667 120.0154 58.6450 42.2701 178.6485 28 K 3.9444 7.8693 115.4784 59.5484 32.5092 177.8223 29 I 3.7905 7.3982 117.9259 62.7485 38.5286 176.5621 30 Q 4.2387 8.5246 115.0861 55.3418 30.2778 172.0519 31 G 3.5782 8.4194 111.1653 44.8300 0.0000 173.2535 32 A 4.1527 8.2606 127.1952 52.0955 18.4137 177.4264 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 8.30 4.43 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 2 T 7.82 4.44 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 E 8.24 4.68 0.00 1.97 1.82 0.00 0.00 0.00 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 2.26 0.00 4 E 7.99 3.95 0.00 1.85 1.93 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 2.22 2.20 0.00 5 M 8.35 4.16 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 6 L 7.15 3.72 0.00 1.82 1.80 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.32 3.97 0.00 3.01 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 9.24 4.22 1.44 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 9 A 8.42 3.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.14 3.25 0.00 2.10 1.81 0.87 0.66 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 11 L 8.40 4.40 0.00 1.84 1.75 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.65 4.09 0.00 4.02 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 9.10 3.93 0.00 3.32 3.32 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 14 G 9.32 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.33 0.00 2.17 1.79 1.02 0.69 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 16 I 8.07 3.55 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.41 0.00 0.00 17 F 6.44 4.34 0.00 3.80 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 18 V 8.52 3.81 2.37 0.00 0.00 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 1.10 0.00 0.00 19 G 8.55 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.66 0.00 3.34 3.30 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 21 G 9.41 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.65 4.06 0.00 1.68 2.04 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.08 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.80 3.61 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 0.94 0.00 0.00 1.20 0.00 0.00 25 L 8.76 3.91 0.00 2.09 1.76 0.89 0.51 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 7.95 3.94 0.00 1.96 1.76 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.07 4.02 0.00 1.99 1.62 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.87 3.94 0.00 2.08 1.74 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 29 I 7.40 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 1.36 0.62 0.98 0.00 0.00 30 Q 8.52 4.24 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 31 G 8.42 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 32 A 8.26 4.15 1.26 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 0.00 0.00