NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7404 8.3249 122.8251 58.2246 40.7804 174.3038 2 V 3.8506 6.5691 116.6144 61.1033 32.7865 177.1093 3 N 4.4287 8.6962 119.0946 56.8302 38.8217 176.1213 4 Q 3.9234 8.0247 120.1174 59.3980 29.3629 177.1629 5 H 4.0091 8.2815 118.8110 59.5054 29.2459 176.9279 6 L 3.9985 7.8256 120.0927 57.9495 41.4915 179.1107 7 C 4.3140 8.1829 118.6719 62.3016 31.5359 175.5486 8 G 3.7240 8.5119 107.8832 48.1516 0.0000 175.4827 9 S 4.0732 8.0340 115.3671 61.3100 62.2486 175.8185 10 H 4.4423 7.8983 117.6591 57.9751 28.4677 177.8334 11 L 3.9880 7.8618 121.1832 57.9200 41.5600 179.6947 12 V 3.6060 7.8146 112.3062 64.3470 31.4813 178.1883 13 E 3.9634 7.8394 117.3256 59.4772 29.4151 178.8683 14 A 4.0779 8.3176 120.8631 55.1131 18.4088 179.6071 15 L 3.9731 8.7564 118.1128 58.0053 41.6339 179.0911 16 Y 4.1871 8.1077 119.7502 60.5254 38.5232 177.5921 17 L 3.8135 7.8752 120.4896 57.4174 42.1984 178.3137 18 V 3.9420 7.3240 117.0932 64.5261 32.1624 176.8103 19 C 4.4570 8.5597 114.5040 60.2794 29.3607 176.1252 20 G 3.3353 8.0071 109.5985 46.0157 0.0000 173.1244 21 E 4.2278 8.9188 119.8818 56.9834 29.4411 176.7702 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 F 8.32 4.74 0.00 2.94 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 2 V 6.57 3.85 1.90 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 0.69 0.00 0.00 0.45 0.00 0.00 3 N 8.70 4.43 0.00 2.85 3.00 0.00 0.00 6.64 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 4 Q 8.02 3.92 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 5 H 8.28 4.01 0.00 3.26 3.45 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 6 L 7.83 4.00 0.00 1.85 1.78 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.18 4.31 0.00 3.06 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 G 8.51 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.03 4.07 0.00 3.79 4.04 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 10 H 7.90 4.44 0.00 3.38 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.86 3.99 0.00 1.94 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.81 3.61 2.08 0.00 0.00 0.00 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 0.95 0.00 0.00 13 E 7.84 3.96 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 14 A 8.32 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 3.97 0.00 1.94 1.77 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.11 4.19 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.88 3.81 0.00 1.71 1.84 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.32 3.94 2.06 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 0.89 0.00 0.00 0.96 0.00 0.00 19 C 8.56 4.46 0.00 3.02 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 20 G 8.01 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.92 4.23 0.00 1.99 1.97 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 2.38 2.51 0.00