NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2295 8.2549 120.8598 55.0501 30.2003 174.8915
  2     P  4.2159 0.0000   0.0000 62.5834 31.6855 174.8776
  3     R  4.7102 9.8665 124.2713 53.5802 33.2299 175.5493
  4     P  4.2369 0.0000   0.0000 65.2272 31.4484 177.1095
  5     D  4.6892 7.8837 114.9729 53.0263 39.9666 176.3303
  6     D  4.3684 7.5048 120.3604 54.7304 41.3017 175.8376
  7     L  4.3852 8.2796 123.5646 53.7358 42.2203 175.5496
  8     E  4.6089 8.6522 126.7045 54.5896 30.8627 176.3594
  9     I  4.1521 8.1939 116.5577 60.9726 37.8003 175.1633

  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 4.23 0.00 1.77 1.96 0.00 3.27 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 
  2     P  0.00 4.22 0.00 2.16 2.00 0.00 3.70 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 2.03 2.16 0.00 
  3     R  9.87 4.71 0.00 2.01 1.96 0.00 3.13 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 
  4     P  0.00 4.24 0.00 2.04 2.11 0.00 3.66 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 2.02 2.07 0.00 
  5     D  7.88 4.69 0.00 2.78 2.77 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     D  7.50 4.37 0.00 2.76 2.65 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  8.28 4.39 0.00 1.57 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 
  8     E  8.65 4.61 0.00 1.98 1.86 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 2.23 2.27 0.00 
  9     I  8.19 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.91 0.00 0.00