NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9385 8.2127 109.7365 45.4992 0.0000 173.7811 2 I 3.3177 8.1310 117.6338 63.7149 37.7587 174.0288 3 V 3.5996 7.8700 113.0455 63.8419 31.4749 177.5442 4 E 3.9714 7.5297 117.4910 59.0832 29.7495 177.7597 5 Q 4.1593 8.0155 114.9935 58.1676 29.2063 177.0762 6 C 4.8418 8.1378 113.7997 57.1586 41.7015 174.0946 7 C 4.3465 7.5255 115.3435 60.0023 28.1097 173.9011 8 T 4.2797 7.8045 113.8899 63.3619 67.9221 174.3890 9 S 4.8684 7.5085 114.2942 56.0897 66.3808 173.9113 10 I 3.9365 8.0776 122.8511 61.5270 37.5220 176.7252 11 C 4.6485 8.4591 122.0215 55.9634 36.2884 174.4846 12 S 4.5321 8.7749 118.9802 57.9148 65.0169 175.4093 13 L 4.2417 8.3522 121.0599 56.9232 41.5551 178.9297 14 Y 4.2904 7.9944 120.1265 60.7326 38.6346 177.1891 15 Q 3.8181 7.6601 117.6460 58.9921 29.2056 178.6739 16 L 4.3148 7.9696 119.7424 57.6562 41.6438 179.0688 17 E 4.0561 8.3165 119.2061 59.0186 29.3146 178.3346 18 N 4.1831 7.4417 114.6699 55.3570 38.4303 175.1022 19 Y 4.4841 7.1492 115.6687 57.7566 38.2218 175.4723 20 C 4.5446 7.8041 119.1293 58.8980 29.4341 173.6307 21 N 4.5438 8.5023 116.8751 53.8431 38.2702 175.5434 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 8.21 3.94 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 0.00 0.00 0.00 2 I 8.13 3.32 1.03 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.69 0.00 0.00 3 V 7.87 3.60 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 0.75 0.00 0.00 0.90 0.00 0.00 4 E 7.53 3.97 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 5 Q 8.02 4.16 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 6 C 8.14 4.84 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.35 0.00 3.24 2.93 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 0.00 0.00 0.00 8 T 7.80 4.28 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 9 S 7.51 4.87 0.00 3.85 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 10 I 8.08 3.94 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 1.41 0.47 0.91 0.00 0.00 11 C 8.46 4.65 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.53 0.00 4.12 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.24 0.00 1.80 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.99 4.29 0.00 2.99 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 15 Q 7.66 3.82 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 16 L 7.97 4.31 0.00 1.93 1.77 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 4.06 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 18 N 7.44 4.18 0.00 2.29 2.32 0.00 0.00 6.89 7.34 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 19 Y 7.15 4.48 0.00 3.16 2.99 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 0.00 0.00 0.00 20 C 7.80 4.54 0.00 2.98 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 21 N 8.50 4.54 0.00 2.72 2.73 0.00 0.00 6.71 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