NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9950 8.2127 109.7440 45.1165 0.0000 173.8677 2 I 2.9511 8.1007 117.6909 63.0830 37.4420 172.7315 3 V 3.4743 8.3148 119.9471 66.0381 31.7288 177.1110 4 E 3.9704 8.1004 116.4575 59.7526 29.3869 178.9960 5 Q 4.2310 7.9501 116.7967 57.9937 29.0295 176.7738 6 C 5.1440 8.2177 115.2274 55.8634 41.7702 174.1931 7 C 4.2292 8.0371 117.6686 60.3180 28.6580 175.1610 8 T 4.1076 7.7082 109.8456 63.4187 68.9471 174.5532 9 S 4.8368 7.4600 118.2384 55.0941 66.2884 173.7520 10 I 3.9178 8.2439 123.8517 61.7530 37.3676 176.3181 11 C 4.9718 8.5503 122.9107 55.3850 41.4430 174.5401 12 S 4.4927 8.9623 120.0004 58.0664 64.7544 175.4830 13 L 4.0066 8.4590 122.1555 58.0368 41.0956 179.1766 14 Y 4.2362 7.9989 118.3853 60.7886 39.2373 177.6112 15 Q 3.9652 8.2319 118.9241 59.0464 28.8223 178.9174 16 L 4.2723 8.3281 119.9799 57.4946 41.5904 178.9198 17 E 3.9118 8.0548 119.5049 59.3641 29.1714 178.4928 18 N 4.2473 7.7628 115.0800 55.4594 38.5473 175.7008 19 Y 4.4728 7.7581 116.2184 57.2258 38.6097 175.3888 20 C 4.4625 7.3464 118.1876 59.5417 29.0818 173.5035 21 N 4.5390 8.5047 117.2122 53.7152 38.3002 175.5148 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 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 2 I 8.10 2.95 0.69 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.66 0.00 0.00 3 V 8.31 3.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.97 0.00 2.14 2.02 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 2.32 2.41 0.00 5 Q 7.95 4.23 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 6 C 8.22 5.14 0.00 2.91 3.04 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 7 C 8.04 4.23 0.00 3.10 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 7.71 4.11 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 1.28 0.00 0.00 9 S 7.46 4.84 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.24 3.92 1.88 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 1.42 0.47 0.92 0.00 0.00 11 C 8.55 4.97 0.00 2.97 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 12 S 8.96 4.49 0.00 4.12 4.06 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 13 L 8.46 4.01 0.00 1.78 1.82 0.95 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 14 Y 8.00 4.24 0.00 2.89 3.05 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 15 Q 8.23 3.97 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 16 L 8.33 4.27 0.00 1.87 1.79 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.05 3.91 0.00 2.06 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 2.30 2.40 0.00 18 N 7.76 4.25 0.00 2.42 2.41 0.00 0.00 6.97 6.99 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 19 Y 7.76 4.47 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.46 0.00 3.06 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 21 N 8.50 4.54 0.00 2.70 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