NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1859 8.3031 121.7884 55.9981 33.0773 175.5336
  2     G  3.6878 8.4672 115.5441 42.2868  0.0000 170.1220
  3     P  4.5114 0.0000   0.0000 61.8561 32.8449 173.3393
  4     P  4.3609 0.0000   0.0000 64.6673 31.5790 176.5910
  5     A  4.6423 7.5395 117.8037 50.1951 22.2193 174.8339
  6     A  4.4949 8.2368 122.5027 50.8573 20.4372 176.8723
  7     L  4.3893 8.1063 119.7358 53.8830 42.6201 177.0547
  8     T  4.1991 8.3907 114.2040 61.0032 69.5345 174.6784
  9     L  4.2319 8.4582 125.4526 54.7598 41.8385 176.4761

  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     K  8.30 4.19 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 
  2     G  8.47 3.69 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 
  3     P  0.00 4.51 0.00 2.34 2.08 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 
  4     P  0.00 4.36 0.00 2.06 2.14 0.00 3.62 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 2.02 2.07 0.00 
  5     A  7.54 4.64 1.18 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 0.00 0.00 
  6     A  8.24 4.49 1.25 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 
  7     L  8.11 4.39 0.00 1.64 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  8     T  8.39 4.20 4.24 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 1.21 0.00 0.00 
  9     L  8.46 4.23 0.00 1.65 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00