NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     M  4.4356 8.3049 120.3265 55.0797 32.7192 174.9592
  4     P  4.4898 0.0000   0.0000 60.1462 34.1057 173.2309
  5     P  4.4883 0.0000   0.0000 63.2130 32.7972 175.7681
  6     T  4.1509 8.0555 116.1459 63.3402 69.0615 175.2000
  7     L  4.1774 8.3786 123.7030 55.1784 41.6847 177.0074

  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   
  3     M  8.30 4.44 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 
  4     P  0.00 4.49 0.00 2.12 2.02 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 
  5     P  0.00 4.49 0.00 2.04 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 
  6     T  8.06 4.15 4.24 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 1.21 0.00 0.00 
  7     L  8.38 4.18 0.00 1.63 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00