NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.3315 8.2549 117.2847 55.6555 30.7917 175.1429
  2     R  4.0347 8.2579 118.3937 53.8293 30.8000 175.3033
  3     K  4.2761 8.4940 119.8242 56.6284 34.4320 176.8406
  4     W  4.3060 8.8748 131.7319 60.0554 31.0461 176.7982
  5     R  4.0075 7.6204 115.5000 55.2572 30.7575 175.3390
  6     R  2.9653 6.5023 114.6343 54.9513 31.7180 174.1567
  7     W  5.1124 8.1487 117.4220 55.0600 33.0331 175.0892
  8     H  4.3644 8.8352 119.9691 55.5524 28.9039 175.5306
  9     L  4.2106 8.6401 121.8482 55.3597 41.4030 177.1468

  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 3.03 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 
  2     R  8.26 4.03 0.00 1.95 1.92 0.00 3.22 0.00 0.00 3.25 7.38 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  8.49 4.28 0.00 1.94 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.56 7.81 
  4     W  8.87 4.31 0.00 3.27 3.10 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  7.62 4.01 0.00 1.69 1.23 0.00 3.53 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 
  6     R  6.50 2.97 0.00 1.55 1.40 0.00 2.75 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.30 0.00 
  7     W  8.15 5.11 0.00 3.32 2.96 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  8.84 4.36 0.00 3.21 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.64 4.21 0.00 1.67 1.63 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00