NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3339 8.0976 119.7148 55.8240 31.2548 175.1274 2 L 3.1436 8.3188 117.8346 58.7960 40.2619 178.2438 3 F 4.1795 8.6917 119.5350 59.9062 39.8188 178.1961 4 D 4.6352 8.9377 119.2462 57.1795 40.4172 178.4401 5 K 4.1794 7.6195 119.4861 58.8205 32.2122 178.5387 6 I 3.8465 8.1859 119.1589 63.3022 37.1119 178.0179 7 R 4.0394 7.8417 119.8414 59.1978 30.1114 177.7288 8 Q 3.9962 8.1167 117.6426 59.1003 28.3080 179.1777 9 V 3.4550 7.2639 119.2277 65.2900 31.0801 178.0867 10 I 3.9872 7.0597 121.9386 63.3605 36.6673 177.9408 11 R 3.8569 7.8202 118.6600 59.3526 29.8616 177.9870 12 K 4.2385 8.9908 119.2493 58.4491 32.6550 176.4227 13 F 4.4540 7.6749 119.0338 57.5179 38.2064 173.3931 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 R 8.10 4.33 0.00 1.97 1.99 0.00 3.32 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 2 L 8.32 3.14 0.00 1.58 1.73 0.32 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.69 4.18 0.00 3.16 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 4 D 8.94 4.64 0.00 2.64 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.62 4.18 0.00 1.75 1.94 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 6 I 8.19 3.85 2.26 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.61 0.98 0.00 0.00 7 R 7.84 4.04 0.00 1.93 2.02 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 8 Q 8.12 4.00 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 9 V 7.26 3.46 1.95 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 0.53 0.00 0.00 0.17 0.00 0.00 10 I 7.06 3.99 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.84 0.00 0.00 11 R 7.82 3.86 0.00 1.76 2.01 0.00 3.24 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 K 8.99 4.24 0.00 1.82 2.05 0.00 2.21 0.00 0.00 2.04 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.68 7.81 13 F 7.67 4.45 0.00 3.26 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00