NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  99    S  4.4953 8.1927 115.4228 57.6215 64.5050 174.1547
  100   K  3.7893 8.7261 121.1435 58.6755 32.0577 177.3762
  101   F  4.4226 8.6940 122.3846 61.4745 40.0090 176.3827
  102   A  4.0203 8.0931 120.2700 55.1552 18.2287 179.2824
  103   A  5.0485 8.0961 120.2278 54.4105 18.1955 179.1763
  104   L  4.0266 7.9384 116.4239 56.1596 41.6705 178.1090
  105   W  4.4028 8.0747 117.5304 56.7209 30.4540 175.6046
  106   D  4.5849 7.9826 123.9804 54.6028 40.2751 176.0158

  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 4.50 0.00 4.10 4.14 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 
  100   K  8.73 3.79 0.00 1.91 1.98 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.60 7.81 
  101   F  8.69 4.42 0.00 3.21 3.13 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   A  8.09 4.02 1.37 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 
  103   A  8.10 5.05 1.46 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 
  104   L  7.94 4.03 0.00 1.29 1.18 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 
  105   W  8.07 4.40 0.00 3.50 3.08 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  7.98 4.58 0.00 2.86 2.60 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