NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     K  4.1728 8.3144 120.1339 56.3346 32.9999 174.6339
  3     V  3.9870 8.2282 124.8536 58.6269 32.1578 173.0467
  4     P  4.4395 0.0000   0.0000 63.0275 32.3555 175.5633

  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     K  8.31 4.17 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 
  3     V  8.23 3.99 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 0.81 0.00 0.00 0.93 0.00 0.00 
  4     P  0.00 4.44 0.00 2.22 2.01 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00