NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2497 8.3449 121.7124 55.9020 30.1751 174.1261
  2     L  4.5328 8.0166 122.2749 51.5327 44.2155 174.8472
  3     S  4.2036 8.2738 114.9982 57.7652 63.6326 171.8574
  4     P  4.5636 0.0000   0.0000 61.8346 31.9023 175.6686
  5     F  4.0607 8.8450 120.4442 58.3582 39.4467 173.3326
  6     P  4.5780 0.0000   0.0000 62.0277 31.9509 176.1682
  7     F  4.6368 8.5358 118.7417 57.0271 39.6227 175.4487
  8     D  4.4722 8.4602 122.6015 54.4213 41.2346 176.6562
  9     L  4.1596 8.4519 123.7021 55.4144 42.1103 176.4546

  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     Q  8.34 4.25 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 
  2     L  8.02 4.53 0.00 1.73 1.58 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.27 4.20 0.00 3.82 3.78 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     P  0.00 4.56 0.00 2.34 2.12 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 
  5     F  8.84 4.06 0.00 2.97 3.06 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     P  0.00 4.58 0.00 1.92 1.88 0.00 2.60 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 
  7     F  8.54 4.64 0.00 2.90 2.97 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     D  8.46 4.47 0.00 2.69 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 
  9     L  8.45 4.16 0.00 1.59 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00