NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     M  4.4591 8.3044 120.3278 54.6385 33.4139 174.6799
  3     W  4.0018 8.7548 133.2092 56.7850 31.2016 174.1557
  4     R  3.2196 7.2020 124.4012 53.4948 32.6950 172.7555
  5     P  4.1390 0.0000   0.0000 63.1264 32.0436 176.4419
  6     W  4.4445 6.9753 121.2744 56.7526 28.3833 176.0008

  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   
  2     M  8.30 4.46 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 
  3     W  8.75 4.00 0.00 3.29 3.17 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 
  4     R  7.20 3.22 0.00 0.72 0.66 0.00 2.95 0.00 0.00 2.91 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.37 0.00 
  5     P  0.00 4.14 0.00 2.17 2.08 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.45 0.00 
  6     W  6.98 4.44 0.00 3.31 3.16 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