NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  99    S  4.4835 8.1927 115.2995 57.8642 62.7285 173.9546
  100   R  3.8364 8.7415 129.1024 58.0498 30.1330 176.3231
  101   W  4.4453 8.4720 128.2866 60.6694 31.2842 177.1399
  102   Q  3.8979 7.9580 118.4845 59.1160 28.2862 178.0120
  103   A  4.1359 7.7336 120.3162 54.6800 18.3974 179.0035
  104   L  3.9143 7.5565 118.6070 57.7699 42.1280 178.4843
  105   F  3.9354 7.7056 116.3641 59.4032 39.4661 175.0475
  106   D  4.4964 8.3771 121.9259 54.4823 40.9986 175.5103

  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   
  99    S  8.19 4.48 0.00 3.94 3.93 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 
  100   R  8.74 3.84 0.00 1.99 2.06 0.00 3.34 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 
  101   W  8.47 4.45 0.00 3.50 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 
  102   Q  7.96 3.90 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 
  103   A  7.73 4.14 1.39 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 
  104   L  7.56 3.91 0.00 1.79 1.40 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 
  105   F  7.71 3.94 0.00 2.93 2.98 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 
  106   D  8.38 4.50 0.00 2.69 2.57 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