NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  800   R  4.3040 8.2549 117.2810 56.0808 30.8111 174.2558
  801   S  4.5753 8.1939 114.9550 56.1839 64.6710 173.2594
  802   R  4.0958 8.7121 120.8964 56.7276 30.6770 176.3208

  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   
  800   R  8.25 4.30 0.00 1.93 2.01 0.00 2.98 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 
  801   S  8.19 4.58 0.00 3.95 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 
  802   R  8.71 4.10 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00