NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2613 8.3449 119.6882 55.7724 30.0785 174.7256
  2     L  4.3208 8.1358 121.9374 52.1092 43.4712 174.6677
  3     S  4.2642 8.1088 114.6616 57.4443 63.7419 171.5975
  4     P  4.5352 0.0000   0.0000 61.8913 31.8645 175.7738
  5     F  3.9891 8.8817 121.0624 58.2657 39.4507 173.3898
  6     P  4.5665 0.0000   0.0000 62.0142 32.1082 175.7149
  7     F  4.7298 8.4682 118.2537 57.1709 39.6548 174.9717
  8     D  4.6212 8.4134 121.8601 54.1502 41.3336 176.9501
  9     L  4.2123 8.4285 121.5702 55.1857 41.6700 176.9832

  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 4.26 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.14 4.32 0.00 1.73 1.62 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  8.11 4.26 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 4.54 0.00 2.33 2.11 0.00 3.85 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 2.02 1.98 0.00 
  5     F  8.88 3.99 0.00 3.03 3.09 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 4.57 0.00 2.13 1.93 0.00 3.07 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 
  7     F  8.47 4.73 0.00 2.94 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 
  8     D  8.41 4.62 0.00 2.71 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  8.43 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