NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.2520 8.1693 122.4909 54.3301 43.0801 176.4879
  2     P  4.4548 0.0000   0.0000 59.4969 32.6173 173.1961
  3     P  4.5386 0.0000   0.0000 61.6290 33.4313 176.6615
  4     L  4.0153 8.2354 121.9910 54.6835 42.1419 176.2448
  5     D  4.5751 8.5685 126.8564 53.3358 40.1539 174.8362
  6     I  4.1646 8.1025 126.2335 61.1407 39.4037 175.4610
  7     T  4.4151 7.5826 116.8348 61.1208 69.3760 172.8303
  8     P  4.6106 0.0000   0.0000 62.0663 32.3973 176.0829
  9     Y  4.1361 8.6236 115.9522 58.5523 37.8631 175.9919

  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  8.17 4.25 0.00 1.60 1.66 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 
  2     P  0.00 4.45 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 
  3     P  0.00 4.54 0.00 2.19 2.08 0.00 3.76 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 1.96 1.94 0.00 
  4     L  8.24 4.02 0.00 1.63 1.62 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 
  5     D  8.57 4.58 0.00 2.68 2.61 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     I  8.10 4.16 1.86 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 0.88 0.89 0.00 0.00 
  7     T  7.58 4.42 4.16 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 1.17 0.00 0.00 
  8     P  0.00 4.61 0.00 2.08 2.06 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 
  9     Y  8.62 4.14 0.00 2.89 2.89 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