NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1300 8.0093 114.2708 60.6302 38.8794 175.0074
  2     T  3.9331 8.1016 111.6513 60.2435 69.4540 172.2987
  3     D  4.5367 9.0427 123.3774 53.7463 42.8864 176.5506
  4     Q  4.2948 8.2361 121.6382 54.5043 29.5779 176.4385
  5     V  3.5453 8.2288 118.2980 61.7558 31.2531 174.5665
  6     P  4.5218 0.0000   0.0000 62.3364 32.0500 175.9648
  7     F  4.2899 8.7047 118.8693 57.0461 39.7080 176.0408
  8     S  4.3672 8.4798 120.4081 58.4490 63.4467 174.8793
  9     V  3.8415 8.2593 115.2398 61.8587 31.3073 176.3141

  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     I  8.01 4.13 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 1.47 1.13 0.91 0.00 0.00 
  2     T  8.10 3.93 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 
  3     D  9.04 4.54 0.00 2.68 2.64 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 
  4     Q  8.24 4.29 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 
  5     V  8.23 3.55 2.01 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 0.59 0.00 0.00 0.85 0.00 0.00 
  6     P  0.00 4.52 0.00 2.24 2.13 0.00 3.73 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 
  7     F  8.70 4.29 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 
  8     S  8.48 4.37 0.00 3.91 3.83 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 
  9     V  8.26 3.84 2.10 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 0.68 0.00 0.00 0.95 0.00 0.00