NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.3100 8.2549 117.2810 54.8524 30.8109 175.0892
  2     P  4.3202 0.0000   0.0000 62.8704 32.2004 174.5419
  3     R  4.7372 9.6778 121.2146 53.6307 34.9186 174.3945
  4     P  4.2314 0.0000   0.0000 65.9288 31.3710 177.2072
  5     D  4.7233 7.9612 113.9348 53.4146 39.4179 176.0767
  6     D  4.3787 7.6999 119.2186 54.7143 41.2210 176.0029
  7     L  4.4389 8.2574 123.5664 53.6282 42.1464 175.2508
  8     E  4.6265 8.5629 126.2920 54.6109 31.0017 176.5560
  9     I  4.1942 8.1060 116.2094 61.0810 37.8253 174.9608

  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 4.31 0.00 1.93 2.00 0.00 3.02 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 
  2     P  0.00 4.32 0.00 2.14 2.04 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 
  3     R  9.68 4.74 0.00 2.01 1.85 0.00 3.14 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 
  4     P  0.00 4.23 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 
  5     D  7.96 4.72 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 
  6     D  7.70 4.38 0.00 2.83 2.65 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 
  7     L  8.26 4.44 0.00 1.56 1.59 0.92 0.91 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 
  8     E  8.56 4.63 0.00 1.99 1.86 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 2.23 2.27 0.00 
  9     I  8.11 4.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.91 0.00 0.00