NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.5133 8.3444 118.3659 59.4847 28.9619 172.0761
  2     H  3.9688 8.0445 122.6439 53.3157 30.5084 173.8288
  3     P  5.0739 0.0000   0.0000 65.0191 32.1204 176.9422
  4     Q  4.0163 8.4618 119.4929 58.4350 29.1648 176.1566
  5     G  3.9818 7.9116 106.7694 43.6788  0.0000 170.6495
  6     P  4.6754 0.0000   0.0000 60.8280 32.7120 174.5420
  7     P  4.5737 0.0000   0.0000 62.6259 34.1067 175.7135
  8     C  3.9940 8.6495 114.9782 60.8197 27.6800 173.0155

  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 4.51 0.00 2.98 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 
  2     H  8.04 3.97 0.00 3.24 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.67 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 5.07 0.00 2.18 2.13 0.00 2.91 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 
  4     Q  8.46 4.02 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 
  5     G  7.91 3.98 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 0.00 0.00 0.00 
  6     P  0.00 4.68 0.00 2.19 2.06 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 1.94 1.94 0.00 
  7     P  0.00 4.57 0.00 2.20 2.14 0.00 3.83 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 1.96 1.98 0.00 
  8     C  8.65 3.99 0.00 3.20 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