NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3157 8.3349 115.2961 56.5219 64.6501 173.3056
  2     N  4.1213 8.1911 116.6294 53.9513 35.5490 172.0488
  3     E  4.2035 8.2149 116.6339 57.3832 30.7145 177.7236
  4     W  4.4175 7.8292 115.3394 57.0342 28.8198 176.2129
  5     I  3.7906 6.5884 120.7634 59.8337 36.1606 175.2261
  6     Q  4.2222 8.3113 125.2403 54.2363 29.4704 174.7825
  7     P  4.2252 0.0000   0.0000 62.9710 31.9398 175.9381
  8     R  4.4019 8.5641 120.7490 55.9656 30.8887 176.6310
  9     L  4.0618 7.7756 122.1793 53.9637 41.0262 176.8540

  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     S  8.33 4.32 0.00 3.86 4.31 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 
  2     N  8.19 4.12 0.00 2.89 2.43 0.00 0.00 7.19 6.78 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 
  3     E  8.21 4.20 0.00 1.99 2.02 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 2.32 2.34 0.00 
  4     W  7.83 4.42 0.00 3.56 3.20 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 
  5     I  6.59 3.79 1.38 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 
  6     Q  8.31 4.22 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 
  7     P  0.00 4.23 0.00 2.01 1.96 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 
  8     R  8.56 4.40 0.00 1.78 1.87 0.00 3.23 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 
  9     L  7.78 4.06 0.00 1.65 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00