NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6248 8.4544 120.6397 56.4364 44.8243 172.7352
  2     H  4.1018 7.8657 122.5262 53.3349 30.5883 173.4890
  3     P  4.4894 0.0000   0.0000 64.5764 31.8034 176.0964
  4     Q  4.1790 8.3933 118.0625 56.5994 29.4222 174.9209
  5     G  4.0842 8.0185 106.7390 43.8242  0.0000 170.7648
  6     P  4.9090 0.0000   0.0000 60.5117 33.7838 174.4879
  7     P  4.7563 0.0000   0.0000 64.4500 30.5338 176.8796
  8     C  4.1359 8.9380 113.5406 57.1867 40.7395 172.7020

  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  8.45 4.62 0.00 2.95 3.10 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 0.00 0.00 0.00 0.00 
  2     H  7.87 4.10 0.00 3.27 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.71 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 4.49 0.00 2.15 2.14 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 
  4     Q  8.39 4.18 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 
  5     G  8.02 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     P  0.00 4.91 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 1.92 1.93 0.00 
  7     P  0.00 4.76 0.00 2.20 1.79 0.00 3.82 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 1.98 1.98 0.00 
  8     C  8.94 4.14 0.00 3.20 3.18 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