NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4534 8.3349 115.4147 58.2271 64.1987 172.0169 2 R 4.5008 8.4127 118.3667 54.2238 32.2056 170.1435 3 V 4.5136 7.7214 120.1910 60.4263 35.8707 174.6678 4 T 4.2876 8.2488 115.3158 60.9442 71.0298 175.6962 5 W 4.4306 8.5093 119.2368 59.6543 28.1760 177.8891 6 Y 3.8197 7.0058 120.1176 60.7122 38.1912 177.5439 7 D 4.1282 7.8776 119.3497 57.0977 40.6306 178.5479 8 F 4.2059 8.0183 120.4004 61.4627 39.5181 176.9694 9 L 3.8815 7.8856 117.2700 57.8727 41.4650 179.0444 10 M 3.9827 7.4850 117.9137 56.6934 32.3355 176.9059 11 E 3.9386 7.4303 119.5749 56.7704 30.3659 176.3179 12 D 4.1389 8.2750 123.0051 54.0361 38.8376 175.1765 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 8.33 4.45 0.00 4.00 3.99 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 2 R 8.41 4.50 0.00 1.88 1.87 0.00 3.19 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 3 V 7.72 4.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 4 T 8.25 4.29 4.03 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 0.00 0.00 0.00 1.16 0.00 0.00 5 W 8.51 4.43 0.00 3.64 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.01 3.82 0.00 1.97 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 7 D 7.88 4.13 0.00 2.88 2.70 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 0.00 0.00 0.00 0.00 8 F 8.02 4.21 0.00 3.06 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.89 3.88 0.00 1.86 1.71 1.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.48 3.98 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 11 E 7.43 3.94 0.00 1.97 1.88 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 2.26 2.23 0.00 12 D 8.28 4.14 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00