NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2900 8.2544 119.7066 55.8426 30.8685 174.8685
  2     I  3.7871 8.1282 123.6720 59.1483 38.7881 173.8197
  3     I  3.8289 8.8889 127.2024 60.3723 39.5215 173.4578
  4     P  4.4200 0.0000   0.0000 65.1969 31.3170 176.7184
  5     R  4.7070 7.6412 113.6195 54.4392 33.3413 174.5202
  6     H  4.7034 8.4141 119.2269 54.7185 31.4013 174.8439
  7     L  4.2244 8.0115 123.2341 54.4664 42.2800 176.8297
  8     Q  4.4205 8.3948 121.0230 54.5824 29.2789 176.0035
  9     L  4.2198 8.4458 122.2692 54.9468 41.8093 176.9224

  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 4.29 0.00 1.82 1.98 0.00 3.34 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 
  2     I  8.13 3.79 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.92 0.00 0.00 
  3     I  8.89 3.83 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.90 0.00 0.00 
  4     P  0.00 4.42 0.00 2.08 2.12 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 
  5     R  7.64 4.71 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 
  6     H  8.41 4.70 0.00 3.08 3.20 0.00 5.92 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 
  7     L  8.01 4.22 0.00 1.67 1.58 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 
  8     Q  8.39 4.42 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 
  9     L  8.45 4.22 0.00 1.64 1.58 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00