NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3629 8.1627 120.3235 55.0976 34.0896 176.2805 2 I 3.2984 7.9140 118.8514 63.4806 38.5235 177.1059 3 L 3.6287 7.6301 121.3278 57.5171 44.0601 178.2504 4 G 2.6290 7.1370 101.7752 48.4001 0.0000 175.0251 5 A 3.6123 8.0267 123.4137 53.6200 18.4961 179.2594 6 V 3.8255 7.4719 114.6576 63.5645 31.1034 175.4534 7 F 5.4804 7.5863 111.4418 59.2040 43.5850 175.4216 8 Y 4.5539 7.9849 119.1380 59.7082 38.1000 175.7285 9 I 4.2896 7.8883 118.2512 62.3325 39.7952 175.7783 10 V 3.9441 7.8446 125.4217 63.5824 30.7962 175.4391 11 F 4.8882 8.6581 129.7068 57.8024 34.1522 176.0999 12 I 3.3439 6.8606 121.1627 62.2143 37.2546 177.2960 13 A 4.1098 7.7877 120.9301 54.8229 18.2715 179.3954 14 L 3.6337 7.7410 118.3484 57.8759 41.4973 179.6967 15 F 4.0625 5.9644 116.9097 60.5312 38.9691 176.9119 16 F 4.0128 8.0243 121.0819 59.2616 39.1356 175.9584 17 G 3.9981 7.9413 107.1461 45.1193 0.0000 173.3889 18 I 4.3459 8.2689 116.6974 60.7051 46.9400 177.4912 19 A 3.8092 7.8787 115.1595 54.0118 17.7317 178.8804 20 V 4.2068 8.8799 109.7281 62.3152 31.8260 177.2121 21 G 3.3377 7.0412 103.4672 45.5058 0.0000 173.3186 22 I 4.3143 6.5792 120.8201 60.7763 46.7179 176.9426 23 I 3.5183 7.7516 114.0705 63.7701 38.2970 177.5868 24 F 4.4178 8.0313 119.8233 59.6838 39.0244 176.8942 25 A 4.3484 7.9815 120.6065 53.3119 17.7114 177.9455 26 I 4.5498 7.5283 116.1481 61.1969 39.3844 175.9968 27 K 4.4186 8.7341 120.1682 56.0103 31.8218 176.3349 28 S 4.5332 7.6975 110.8931 59.4713 64.4818 175.4036 29 I 3.8838 7.8859 119.0560 62.7507 36.8976 176.3229 30 K 4.2520 7.4601 116.1630 56.5473 33.2911 174.3575 31 L 4.2439 8.3949 127.7668 56.9979 43.0656 176.4860 32 I 3.9876 7.5848 122.3587 61.4868 37.1763 175.4699 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 8.16 4.36 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 2 I 7.91 3.30 1.85 0.00 0.00 0.83 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 1.21 0.90 0.00 0.00 3 L 7.63 3.63 0.00 1.84 1.67 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.14 2.63 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 5 A 8.03 3.61 1.27 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 0.00 0.00 0.00 6 V 7.47 3.83 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 7 F 7.59 5.48 0.00 3.29 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 8 Y 7.98 4.55 0.00 2.70 2.94 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 0.00 0.00 0.00 9 I 7.89 4.29 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 1.00 0.00 0.00 10 V 7.84 3.94 2.17 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 1.00 0.00 0.00 1.00 0.00 0.00 11 F 8.66 4.89 0.00 3.54 3.79 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 0.00 0.00 0.00 12 I 6.86 3.34 1.76 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.96 0.00 0.00 13 A 7.79 4.11 1.27 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 0.00 0.00 0.00 14 L 7.74 3.63 0.00 0.68 0.98 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 F 5.96 4.06 0.00 3.22 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 16 F 8.02 4.01 0.00 3.19 2.95 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 0.00 0.00 0.00 17 G 7.94 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 0.00 0.00 0.00 18 I 8.27 4.35 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.17 0.83 0.00 0.00 19 A 7.88 3.81 1.25 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 0.00 0.00 0.00 20 V 8.88 4.21 2.01 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 0.76 0.00 0.00 0.84 0.00 0.00 21 G 7.04 3.34 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 0.00 22 I 6.58 4.31 1.73 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 1.40 0.86 0.84 0.00 0.00 23 I 7.75 3.52 1.90 0.00 0.00 1.16 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 0.30 0.85 0.00 0.00 24 F 8.03 4.42 0.00 3.05 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 25 A 7.98 4.35 1.29 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 0.00 0.00 0.00 26 I 7.53 4.55 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.93 0.00 0.00 27 K 8.73 4.42 0.00 1.64 1.61 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.27 7.81 28 S 7.70 4.53 0.00 3.88 3.85 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 0.00 0.00 0.00 29 I 7.89 3.88 2.00 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 1.48 0.72 0.92 0.00 0.00 30 K 7.46 4.25 0.00 1.83 1.78 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.47 7.81 31 L 8.39 4.24 0.00 1.58 1.70 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.58 3.99 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 1.26 0.65 0.90 0.00 0.00