NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.3982 8.3231 115.2898 57.4755 63.7222 174.6187
  3     G  3.8507 5.8938 113.0541 43.2905  0.0000 169.5940
  4     K  4.0431 8.5539 125.1022 55.9598 33.6494 175.3707
  5     V  4.2719 8.1414 123.6372 59.9931 33.0179 173.2954
  6     P  4.2733 0.0000   0.0000 62.9482 31.7656 176.4668
  7     L  4.1763 8.4511 121.1156 55.1333 41.5650 176.8879

  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     S  8.32 4.40 0.00 3.85 3.72 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     G  5.89 3.85 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 0.00 0.00 0.00 
  4     K  8.55 4.04 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 
  5     V  8.14 4.27 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 
  6     P  0.00 4.27 0.00 2.08 1.99 0.00 3.73 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 2.03 2.12 0.00 
  7     L  8.45 4.18 0.00 1.63 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00