NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4397 8.1633 120.3484 55.6030 34.6841 177.3047 2 D 4.2460 8.1317 118.3398 56.6679 41.1142 176.5957 3 A 4.1946 8.6511 121.6074 53.4315 20.7859 179.0062 4 I 3.7784 7.6275 117.4012 64.1509 37.0957 178.0715 5 K 3.9148 8.4665 120.1096 60.0809 32.0275 178.9628 6 K 4.1864 7.5437 116.9894 58.1445 32.1751 178.8626 7 K 3.8207 8.0294 120.5645 59.9599 32.0103 178.7129 8 M 4.0798 8.0790 116.7716 58.2883 30.9362 178.3637 9 Q 3.9595 7.5474 119.2341 58.5288 28.8564 178.0579 10 M 4.0634 8.1294 120.1169 57.7974 32.4212 178.5176 11 L 4.0630 8.0767 119.3342 57.0520 41.6828 179.3997 12 K 3.7354 8.1606 119.3420 59.3290 32.8030 179.1112 13 L 3.5845 7.3254 121.5826 57.7814 42.0397 178.3745 14 D 4.3725 7.9165 118.0276 56.8907 41.0070 177.7484 15 N 4.2207 7.7064 117.3816 57.0042 38.9295 176.5328 16 Y 4.0949 7.1293 118.1281 61.4184 37.3800 178.1002 17 H 4.2582 8.1783 118.8627 58.9274 29.9225 177.4820 18 L 3.8171 8.2613 121.3179 57.6920 41.5776 178.9540 19 E 4.0442 9.0181 120.3305 59.3662 28.4936 178.6026 20 N 4.4243 8.6145 116.8830 55.8061 38.5346 176.7475 21 E 4.3344 7.7263 119.8728 58.6280 29.8498 178.4837 22 V 3.6847 8.4003 118.3459 65.4711 31.3455 177.9059 23 A 3.6347 8.3976 120.4659 54.8144 17.8939 179.4358 24 R 4.1054 7.4980 117.0290 59.1329 30.3709 179.1170 25 L 4.0302 7.8623 118.7666 57.7786 41.7700 179.7055 26 K 4.1810 8.8578 119.4006 59.1595 31.7519 178.8105 27 K 4.1783 7.5753 117.2973 57.8975 32.1549 177.3313 28 L 4.5067 7.6649 118.3338 56.1801 43.8890 176.4422 29 V 4.2754 8.0903 116.7820 64.4102 32.4807 177.5284 30 G 3.7117 7.8174 103.5542 45.8209 0.0000 172.7775 31 E 3.7845 7.9144 117.9718 56.4639 29.4761 177.6525 32 R 4.0816 8.8413 121.4969 56.7155 30.1104 176.2578 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 4.44 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 D 8.13 4.25 0.00 2.90 2.72 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 3 A 8.65 4.19 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 4 I 7.63 3.78 1.94 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 1.69 0.71 0.91 0.00 0.00 5 K 8.47 3.91 0.00 1.93 2.09 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.61 7.81 6 K 7.54 4.19 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.65 7.81 7 K 8.03 3.82 0.00 2.03 1.99 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 8 M 8.08 4.08 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 9 Q 7.55 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 10 M 8.13 4.06 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 11 L 8.08 4.06 0.00 1.64 1.66 0.90 0.40 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 12 K 8.16 3.74 0.00 1.87 2.07 0.00 1.09 0.00 0.00 1.23 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.47 7.81 13 L 7.33 3.58 0.00 1.85 1.59 0.90 1.08 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 14 D 7.92 4.37 0.00 3.01 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.71 4.22 0.00 2.89 2.71 0.00 0.00 7.10 6.93 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 16 Y 7.13 4.09 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.26 0.00 3.31 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.26 3.82 0.00 1.82 1.65 0.98 0.70 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 19 E 9.02 4.04 0.00 2.29 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 2.35 2.42 0.00 20 N 8.61 4.42 0.00 3.05 2.88 0.00 0.00 6.65 8.32 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 21 E 7.73 4.33 0.00 2.21 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 2.26 2.34 0.00 22 V 8.40 3.68 2.13 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 0.91 0.00 0.00 0.98 0.00 0.00 23 A 8.40 3.63 1.36 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 0.00 0.00 0.00 24 R 7.50 4.11 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 25 L 7.86 4.03 0.00 1.71 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.86 4.18 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 27 K 7.58 4.18 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 28 L 7.66 4.51 0.00 1.67 1.66 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.09 4.28 2.08 0.00 0.00 0.00 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 1.00 0.00 0.00 30 G 7.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 3.78 0.00 2.09 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 0.00 2.40 2.45 0.00 32 R 8.84 4.08 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00