NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2426 8.2544 120.8598 55.9533 31.1765 174.9913
  2     I  3.7736 8.1563 125.5054 59.4658 38.7786 173.4242
  3     I  3.8737 7.9821 126.5192 59.9004 38.8143 173.0221
  4     P  4.1752 0.0000   0.0000 66.1373 31.4442 176.4850
  5     R  4.2063 7.5484 120.7506 55.0987 31.1396 175.2166
  6     H  5.0668 8.4540 121.0443 54.0178 32.7542 172.8426
  7     L  4.4664 7.9775 124.4478 54.4202 41.9317 175.9862
  8     Q  4.3732 8.3433 120.4233 54.5626 29.4523 175.8501
  9     L  4.1803 8.4205 122.2233 54.9930 41.7695 176.9230

  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     R  8.25 4.24 0.00 1.79 1.91 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 
  2     I  8.16 3.77 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 0.90 0.00 0.00 
  3     I  7.98 3.87 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 0.93 0.00 0.00 
  4     P  0.00 4.18 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 
  5     R  7.55 4.21 0.00 1.80 1.87 0.00 3.18 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 
  6     H  8.45 5.07 0.00 3.04 3.14 0.00 5.96 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     L  7.98 4.47 0.00 1.75 1.61 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 
  8     Q  8.34 4.37 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.13 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 
  9     L  8.42 4.18 0.00 1.61 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00