NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.2366 8.1844 122.4906 54.5176 43.2551 176.3615
  2     S  4.0989 8.5766 120.0325 57.3796 63.0531 171.2036
  3     L  4.7456 8.1066 126.1729 52.9230 45.0002 175.1512
  4     R  4.5875 8.2359 121.1597 53.9502 31.2774 175.3842
  5     N  4.4764 8.7086 120.7780 52.5230 39.0897 173.2554
  6     P  4.4190 0.0000   0.0000 65.0503 31.9031 176.8275
  7     I  4.6306 7.2802 117.5120 58.5290 40.5321 175.2856
  8     L  4.1883 8.3197 123.8582 54.3035 42.3009 177.3912
  9     V  3.7578 8.2212 119.3820 63.3810 31.4243 175.8935

  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     L  8.18 4.24 0.00 1.60 1.64 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.58 4.10 0.00 3.95 3.75 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     L  8.11 4.75 0.00 1.59 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 
  4     R  8.24 4.59 0.00 1.92 1.88 0.00 3.09 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 
  5     N  8.71 4.48 0.00 2.73 2.81 0.00 0.00 7.14 8.02 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 
  6     P  0.00 4.42 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.78 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 
  7     I  7.28 4.63 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 1.41 0.94 0.91 0.00 0.00 
  8     L  8.32 4.19 0.00 1.63 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 
  9     V  8.22 3.76 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00