NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.5890 8.1600 109.1443 45.3565 0.0000 174.0472 2 I 2.9549 8.0830 117.7183 62.9462 37.5565 172.7724 3 V 3.5091 8.3513 119.9824 65.9789 31.9401 177.2388 4 E 3.9499 8.0868 117.8883 59.4607 27.7768 178.8896 5 Q 4.0842 8.3783 119.3734 58.2437 29.1042 176.2185 6 C 4.4609 8.3504 116.1236 56.2739 41.1516 173.9757 7 C 4.2107 7.8939 117.4288 60.4490 29.0356 175.1574 8 T 4.0870 7.9760 114.0426 64.0653 67.0592 174.2169 9 S 4.7681 7.3506 113.2055 55.8473 66.2847 172.8741 10 I 3.9077 8.1972 121.1391 61.0414 38.3969 175.6393 11 C 5.2355 8.4469 123.9511 54.9703 37.8282 174.7772 12 S 4.5318 9.3984 119.8908 57.7352 65.1332 175.4279 13 L 4.0319 8.2654 120.7720 57.7153 40.9846 179.2942 14 Y 4.0590 7.7144 115.9735 60.9684 38.1200 177.6601 15 Q 4.2456 8.1952 118.6994 58.7759 28.8197 178.5512 16 L 4.2775 8.0193 120.1032 57.6490 41.6513 178.8757 17 E 4.1085 8.2289 119.2710 59.2155 29.1986 178.5661 18 N 4.3706 7.7711 115.1276 55.6152 38.5305 175.6851 19 Y 4.4407 7.8892 116.6540 57.2301 38.4041 175.2832 20 C 4.5241 7.3788 118.5898 58.8543 29.3484 173.5354 21 N 4.5411 8.5075 117.1262 53.8188 38.1980 175.4981 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 G 8.16 4.59 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 0.00 0.00 0.00 2 I 8.08 2.95 0.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 0.68 0.00 0.00 3 V 8.35 3.51 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.09 3.95 0.00 2.24 1.99 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 2.41 2.43 0.00 5 Q 8.38 4.08 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 6 C 8.35 4.46 0.00 2.95 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 7 C 7.89 4.21 0.00 3.15 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 8 T 7.98 4.09 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 1.36 0.00 0.00 9 S 7.35 4.77 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.20 3.91 1.88 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 1.42 0.71 0.93 0.00 0.00 11 C 8.45 5.24 0.00 2.99 3.01 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 S 9.40 4.53 0.00 4.16 4.12 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 0.00 0.00 0.00 0.00 13 L 8.27 4.03 0.00 1.37 1.54 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.71 4.06 0.00 3.02 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 15 Q 8.20 4.25 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.02 4.28 0.00 1.92 1.77 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 4.11 0.00 2.17 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 0.00 2.33 2.37 0.00 18 N 7.77 4.37 0.00 2.46 2.48 0.00 0.00 6.97 8.72 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 19 Y 7.89 4.44 0.00 3.06 3.01 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 20 C 7.38 4.52 0.00 3.07 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 21 N 8.51 4.54 0.00 2.72 2.73 0.00 0.00 6.76 7.56 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