NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2690 8.3449 119.6880 55.7803 30.0954 174.5891
  2     L  4.3717 8.1092 121.6331 51.9374 43.6343 174.7003
  3     S  4.2291 8.1481 114.8341 57.5250 63.7205 171.7147
  4     P  4.5312 0.0000   0.0000 61.9277 31.8380 175.7353
  5     F  4.0255 8.8553 120.9961 58.3215 39.4417 173.3451
  6     P  4.6110 0.0000   0.0000 61.8484 32.2751 175.6672
  7     F  4.7678 8.4127 117.8560 57.1105 39.6102 175.1994
  8     D  4.6030 8.4089 122.0795 54.2212 41.3411 176.9087
  9     L  4.2146 8.4195 121.4809 55.1869 41.6837 176.9823

  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 4.27 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.11 4.37 0.00 1.72 1.61 0.93 0.59 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 
  3     S  8.15 4.23 0.00 3.81 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 
  4     P  0.00 4.53 0.00 2.31 2.10 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 
  5     F  8.86 4.03 0.00 3.00 3.04 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 4.61 0.00 2.14 1.94 0.00 3.12 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 
  7     F  8.41 4.77 0.00 2.97 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     D  8.41 4.60 0.00 2.70 2.63 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  8.42 4.21 0.00 1.63 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00