NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0913 8.0093 121.4356 60.4100 38.2099 172.2811 2 C 4.6375 7.2941 114.1456 53.7868 45.7566 169.4989 3 V 4.2483 8.8845 120.1507 60.8148 34.1189 176.0399 4 W 5.0381 8.8338 128.2701 56.1873 28.2015 175.3118 5 Q 4.7085 8.0888 120.1205 55.4977 30.4620 173.7036 6 D 4.9383 8.6414 117.4943 53.6599 41.5105 176.2388 7 W 4.8914 7.7944 113.6801 56.0016 30.6235 174.4334 8 G 3.6812 8.9445 104.6332 45.3571 0.0000 174.6832 9 A 4.0369 8.2153 122.7189 54.4395 18.8485 178.0445 10 H 4.8300 7.6029 112.7025 55.3317 30.0535 174.7661 11 R 4.1285 7.2090 117.9737 56.6162 30.2759 175.8039 12 C 3.9881 8.2322 123.8704 57.4504 40.9297 174.0424 13 T 3.7024 7.9531 110.2179 62.3461 69.7809 171.9356 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 I 8.01 4.09 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.86 0.00 0.00 2 C 7.29 4.64 0.00 2.85 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 3 V 8.88 4.25 1.82 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 0.79 0.00 0.00 4 W 8.83 5.04 0.00 3.19 3.12 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 Q 8.09 4.71 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.64 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 6 D 8.64 4.94 0.00 2.81 2.82 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 W 7.79 4.89 0.00 3.53 3.02 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 0.00 0.00 0.00 8 G 8.94 3.68 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 A 8.22 4.04 1.16 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 10 H 7.60 4.83 0.00 2.90 3.15 0.00 5.63 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.21 4.13 0.00 1.90 1.69 0.00 3.22 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 12 C 8.23 3.99 0.00 1.37 1.18 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 T 7.95 3.70 4.30 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 1.44 0.00 0.00