NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.3336 8.2549 117.2847 55.6574 30.8000 175.0278
  2     R  4.1809 8.2330 117.9520 54.1644 31.8657 176.8533
  3     K  4.8365 8.1525 126.9698 56.5981 32.7622 179.2682
  4     W  4.5644 8.9098 124.6516 56.1974 29.2528 175.1520
  5     R  4.1456 7.4634 118.1232 54.8774 31.8063 177.0851
  6     R  3.6650 6.7913 115.9595 54.5942 32.0279 174.4870
  7     W  5.0907 8.3992 121.3466 54.8831 33.2324 174.6737
  8     H  4.4830 8.7764 118.8145 55.4051 29.0204 175.6514
  9     L  4.2221 8.4927 121.0400 55.2826 41.4219 177.1924

  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     R  8.25 4.33 0.00 1.96 2.02 0.00 3.02 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 
  2     R  8.23 4.18 0.00 1.96 1.93 0.00 3.22 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 
  3     K  8.15 4.84 0.00 1.95 1.05 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.55 7.81 
  4     W  8.91 4.56 0.00 3.28 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 
  5     R  7.46 4.15 0.00 1.71 1.11 0.00 3.53 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 
  6     R  6.79 3.67 0.00 1.71 1.58 0.00 2.76 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.00 
  7     W  8.40 5.09 0.00 3.37 2.99 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     H  8.78 4.48 0.00 3.20 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.49 4.22 0.00 1.67 1.62 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00