NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3502 8.3049 120.2856 55.0388 32.8752 174.5642
  2     W  5.0931 8.2901 125.1192 53.4524 33.2748 172.7153
  3     P  4.2634 0.0000   0.0000 63.5627 32.1567 176.3677
  4     V  4.2438 7.9883 115.1848 60.5556 33.2095 176.2532
  5     D  4.4608 8.1648 116.5476 51.9851 39.5583 174.0607
  6     P  4.3967 0.0000   0.0000 63.5876 31.3176 176.4068

  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   
  1     M  8.30 4.35 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 
  2     W  8.29 5.09 0.00 3.32 2.98 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 0.00 0.00 0.00 
  3     P  0.00 4.26 0.00 2.13 2.08 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 
  4     V  7.99 4.24 2.11 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 0.78 0.00 0.00 0.96 0.00 0.00 
  5     D  8.16 4.46 0.00 2.73 2.65 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 
  6     P  0.00 4.40 0.00 2.06 2.04 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00