NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.5012 8.3444 118.3672 59.2559 30.0732 173.5187
  2     H  3.8917 8.3089 119.3184 53.9900 29.9556 173.2449
  3     P  5.0049 0.0000   0.0000 65.0183 31.8030 176.5224
  4     Q  4.0706 8.4403 118.1469 57.2796 29.2906 175.3336
  5     G  4.0487 7.9365 106.7842 43.7602  0.0000 170.7611
  6     P  4.7199 0.0000   0.0000 60.6291 32.7729 174.1297
  7     P  4.5896 0.0000   0.0000 61.5387 33.9697 175.6533
  8     C  3.9936 8.6870 114.7143 60.4090 27.5161 173.3785

  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     C  8.34 4.50 0.00 2.98 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 
  2     H  8.31 3.89 0.00 3.24 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.69 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 5.00 0.00 2.17 2.15 0.00 2.98 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 
  4     Q  8.44 4.07 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 
  5     G  7.94 4.05 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 
  6     P  0.00 4.72 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 
  7     P  0.00 4.59 0.00 2.20 2.13 0.00 3.73 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 1.95 1.97 0.00 
  8     C  8.69 3.99 0.00 3.06 3.30 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