NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     M  4.4129 8.3044 120.3506 54.7416 33.3689 174.7316
  3     W  3.9951 8.8363 135.0000 56.9212 30.8954 173.9211
  4     R  3.2918 7.3018 124.2440 53.3812 32.6486 173.4359
  5     P  3.8855 0.0000   0.0000 63.4629 31.9585 176.5290
  6     W  4.4219 6.7094 121.3129 56.6632 28.2647 175.9856

  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     M  8.30 4.41 0.00 1.95 2.05 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 2.54 2.64 0.00 
  3     W  8.84 4.00 0.00 3.31 3.16 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     R  7.30 3.29 0.00 0.78 0.66 0.00 2.84 0.00 0.00 2.95 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 
  5     P  0.00 3.89 0.00 2.19 2.18 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.41 0.00 
  6     W  6.71 4.42 0.00 3.15 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