NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  0     L  4.1880 8.1849 122.4899 54.9418 43.9098 176.9720
  1     E  3.8638 7.9865 120.3232 55.5537 29.3402 175.5345
  2     L  4.1247 8.4659 124.9963 54.1345 43.5017 176.6278
  3     D  4.4494 8.4666 121.8120 53.7529 42.0142 176.6709
  4     K  3.3723 8.4829 124.3979 59.0480 31.8382 177.4578
  5     W  4.8483 8.0102 114.7668 56.0279 29.2185 176.1238
  6     A  3.8357 8.2856 122.0700 53.9089 18.2079 179.1868
  7     S  3.5193 7.3262 112.7321 57.4168 62.4008 172.6649
  8     L  4.4791 8.4428 127.2227 54.9943 41.9038 176.1923

  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   
  0     L  8.18 4.19 0.00 1.62 1.75 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 
  1     E  7.99 3.86 0.00 2.04 1.89 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 2.30 2.44 0.00 
  2     L  8.47 4.12 0.00 1.61 1.58 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 
  3     D  8.47 4.45 0.00 2.76 2.55 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     K  8.48 3.37 0.00 1.29 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.45 0.90 7.81 
  5     W  8.01 4.85 0.00 3.33 3.14 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 0.00 0.00 0.00 0.00 
  6     A  8.29 3.84 1.31 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 
  7     S  7.33 3.52 0.00 3.94 4.07 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 
  8     L  8.44 4.48 0.00 1.70 1.58 1.32 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00