NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  81    K  4.2666 8.1576 122.1387 54.4542 33.4322 175.1335
  82    S  4.6995 8.2305 116.1279 56.7140 64.6366 171.4352
  83    S  4.5364 8.4448 114.3436 57.4282 65.5791 175.4324
  84    F  4.3003 8.6213 123.1351 58.4507 39.1612 175.9648
  85    F  4.6783 8.2645 120.7914 56.2583 39.9499 177.2282
  86    S  4.2610 8.8768 119.8513 60.7792 62.9271 174.8821
  87    D  4.9564 8.1404 118.2345 52.7632 39.3949 175.6060
  88    R  4.6116 7.4300 117.1485 56.0212 34.3784 175.5875
  89    G  4.4609 8.7007 106.7646 46.2663  0.0000 173.6107

  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   
  81    K  8.16 4.27 0.00 1.70 1.76 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 
  82    S  8.23 4.70 0.00 3.86 3.81 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 
  83    S  8.44 4.54 0.00 3.85 3.88 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 
  84    F  8.62 4.30 0.00 2.84 2.82 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 
  85    F  8.26 4.68 0.00 3.23 3.14 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 
  86    S  8.88 4.26 0.00 3.93 3.97 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 
  87    D  8.14 4.96 0.00 2.78 2.75 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 
  88    R  7.43 4.61 0.00 1.87 1.87 0.00 3.38 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 
  89    G  8.70 4.46 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 0.00 0.00 0.00