NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4441 8.1927 115.4148 58.5458 65.3978 175.4921 2 T 3.8165 7.7353 114.8828 63.6494 67.2143 171.3305 3 V 3.6258 7.9106 120.2120 65.8165 32.1303 176.8040 4 H 4.0354 8.2156 117.6947 59.4544 29.5288 176.9854 5 E 4.0267 7.7978 118.8122 59.4328 29.5104 179.1333 6 I 3.8692 7.9526 119.9446 64.2867 37.1872 178.2406 7 L 3.9379 8.5369 120.1929 58.1902 41.3041 179.8522 8 S 4.1585 7.9343 114.3219 61.2415 62.5339 176.1003 9 K 4.2949 8.0444 118.8153 57.2997 32.1385 177.8727 10 L 4.5556 7.7060 118.2212 54.5481 42.6665 176.4458 11 S 4.3625 7.5161 120.1539 58.5087 63.1688 173.7540 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 8.19 4.44 0.00 4.01 4.19 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 0.00 0.00 0.00 0.00 2 T 7.74 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 V 7.91 3.63 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 4 H 8.22 4.04 0.00 3.31 3.44 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.80 4.03 0.00 1.94 2.01 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 2.54 2.53 0.00 6 I 7.95 3.87 1.87 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 1.52 0.86 0.91 0.00 0.00 7 L 8.54 3.94 0.00 1.57 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.93 4.16 0.00 4.06 3.89 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 9 K 8.04 4.29 0.00 1.84 1.84 0.00 1.56 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 10 L 7.71 4.56 0.00 1.74 1.68 0.91 0.59 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 11 S 7.52 4.36 0.00 3.96 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