NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3890 8.3049 120.3175 55.0876 32.1858 174.2398
  2     W  5.0291 8.1020 123.8991 51.8008 33.3334 173.1151
  3     P  4.5303 0.0000   0.0000 62.7124 32.3259 176.0971
  4     V  3.8754 8.1706 113.0313 61.1238 32.1261 175.5397
  5     D  4.9975 8.1851 122.7140 50.3997 42.1355 174.4210
  6     P  4.4032 0.0000   0.0000 63.0423 31.2676 176.6015

  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 4.39 0.00 1.67 1.95 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 
  2     W  8.10 5.03 0.00 3.30 3.02 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 4.53 0.00 2.22 2.12 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 
  4     V  8.17 3.88 2.10 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 0.77 0.00 0.00 0.95 0.00 0.00 
  5     D  8.19 5.00 0.00 2.74 2.66 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 2.05 2.01 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00