NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3678 8.3193 115.4159 57.6077 64.5493 173.5578 2 N 4.0850 7.8782 113.6705 52.6605 38.2374 172.4011 3 F 4.5041 9.1075 126.0073 56.7501 41.8025 176.7941 4 L 4.7046 7.5198 127.9022 52.7738 41.6913 173.4445 5 N 4.7610 8.8870 117.4841 53.5246 38.8197 173.5667 6 C 4.9334 8.0783 120.0393 56.3252 32.4390 173.0677 7 Y 4.7989 7.6690 118.0605 57.5045 40.6500 173.4886 8 V 3.8120 8.2695 127.4624 59.9723 32.0156 175.1092 9 S 3.4393 8.8956 123.1861 58.1990 63.6291 173.5394 10 G 4.0690 8.1294 109.2781 42.5319 0.0000 172.5033 11 F 3.7657 8.9610 132.7325 57.3680 40.1678 173.7825 12 H 4.3769 7.4887 123.6138 53.7188 29.7071 173.8515 13 P 4.3317 0.0000 0.0000 63.6627 29.9082 175.1514 14 S 4.4361 7.6727 117.8242 58.7779 65.2964 175.7599 15 D 4.8789 8.5380 120.7816 52.2846 40.0166 174.8154 16 I 4.4594 7.1216 116.7818 60.3527 39.6576 174.8013 17 E 5.5871 7.9162 126.9581 55.2087 29.4985 177.1824 18 V 4.8537 6.7964 127.5803 63.1410 34.7277 170.5102 19 D 4.8521 8.4513 126.3444 51.5293 42.2490 175.2500 20 L 4.4040 8.2694 122.0283 55.1216 41.9092 175.0953 21 L 4.1278 8.6075 124.4513 54.3245 42.5270 176.9401 22 K 4.1807 8.0602 123.2230 56.8068 33.0249 174.8642 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 S 8.32 4.37 0.00 4.01 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 2 N 7.88 4.09 0.00 2.88 2.85 0.00 0.00 6.15 6.54 0.00 0.00 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 F 9.11 4.50 0.00 3.07 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 4 L 7.52 4.70 0.00 1.53 1.49 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.89 4.76 0.00 2.97 2.89 0.00 0.00 7.14 7.70 0.00 0.00 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 C 8.08 4.93 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.67 4.80 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.27 3.81 2.04 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 0.81 0.00 0.00 0.87 0.00 0.00 9 S 8.90 3.44 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.96 3.77 0.00 3.00 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 12 H 7.49 4.38 0.00 2.77 3.00 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.18 2.13 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 14 S 7.67 4.44 0.00 3.70 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.88 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.12 4.46 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.92 0.00 0.00 17 E 7.92 5.59 0.00 2.07 1.91 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 1.87 1.84 0.00 18 V 6.80 4.85 2.19 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 1.01 0.00 0.00 0.98 0.00 0.00 19 D 8.45 4.85 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.40 0.00 1.79 1.77 1.15 0.80 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 21 L 8.61 4.13 0.00 1.66 1.76 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.06 4.18 0.00 1.91 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81