NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     W  4.8943 8.2593 117.9509 56.3874 29.4125 174.0281
  3     S  4.3326 8.4914 115.1840 55.8601 65.8041 170.9166
  4     H  4.9934 8.1215 118.1752 53.9017 33.6526 173.4682
  5     P  4.1648 0.0000   0.0000 65.8632 31.0326 178.1907
  6     Q  3.7775 8.1814 118.7725 57.9824 28.9252 176.3581
  7     F  4.8445 8.0400 113.7160 57.2574 39.7365 175.5125
  8     E  4.3977 7.7617 118.2038 56.4302 29.7393 176.6167
  9     K  4.1490 7.7793 123.8514 56.6276 32.2341 176.6528

  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   
  2     W  8.26 4.89 0.00 3.60 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 
  3     S  8.49 4.33 0.00 3.99 3.81 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     H  8.12 4.99 0.00 3.20 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     P  0.00 4.16 0.00 2.17 2.26 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 
  6     Q  8.18 3.78 0.00 1.79 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 
  7     F  8.04 4.84 0.00 3.02 2.99 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     E  7.76 4.40 0.00 2.00 1.98 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 2.32 2.50 0.00 
  9     K  7.78 4.15 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.28 7.81