Residue library file

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The residue library input file declares the atom types, the nomenclature, the dihedral angle definitions, the covalent connectivities and the standard geometry. The standard library, “cyana.lib”, uses the standard geometry of the ECEPP/2 force field (Momany et al., 1975; Némethy et al., 1983) for all amino acid residue types. The covalent geometry of the nucleotides is based on the AMBER force field (Cornell et al., 1995). For reasons of compatibility with other programs, the residue library used for CYANA contains more information than is actually read by the program; the following description treats only data that is relevant for CYANA. First of all, the present version of CYANA does not allow for special endgroups at the N- or C-terminus of the polypeptide chain. Therefore only the entries marked with the keywords ATOMTYPES or RESIDUE are considered.

The atom types entry starts with a header line with the Fortran format (A10,I5) containing the word ATOMTYPES and the number of atom type declarations that will follow. The following lines contain atom type declarations in the Fortran format (5X,A5,F10.2,2I5):

  • the atom type
  • the repulsive core radius that will be assigned to atoms of this type
  • a code for hydrogen bond capabilities (1 for hydrogen atoms that can form hydrogen bonds, -1 for hydrogen bond acceptors (e.g. oxygens), and 0 for atoms that cannot be involved in hydrogen bonds)
  • the order number of the chemical element (0 for pseudo atoms, 1 for hydrogen, 6 for carbon, 7 for nitrogen etc.)

The atom types entry must precede the residue entries.

A residue entry starts with a header line with the Fortran format (A10,A5,4I5) and containing

  • the word RESIDUE
  • the residue name
  • the number of rotatable dihedral angle declarations that will follow
  • the number of atom declarations that will follow
  • the numbers of the first atom in the list of atom declarations that belongs to the residue (not to the preceding residue in the polypeptide chain)
  • the numbers of the last atom in the list of atom declarations that belongs to the residue (not to the following residue in the polypeptide chain)

The next lines contain dihedral angle declarations in the format (5X,A5,20X,5I5):

  • the dihedral angle name
  • the numbers of the four atoms that define the dihedral angle
  • the number of the last atom that will be affected by a rotation of the dihedral angle (for backbone dihedral angles this number is set to 0).

Atom numbers correspond to the running numbers in the first column of the atom declarations. The atom declarations must be ordered such that the set of atoms affected by a change of a dihedral angle consists of all atoms following the third atom in the dihedral angle definition up to the last atom (or the C-terminus for backbone dihedral angles) that is affected.

Finally, there are lines containing atom declarations: the format is (5X,2A5,15X,3F10.4,5I5), the data are

  • the atom name
  • the atom type (used to set the repulsive core radii)
  • the x-, y- and z-coordinates in for an arbitrary conformation
  • four atom numbers indicating covalent connectivities (if there are less than four connectivities, the corresponding numbers are set to 0)
  • the atom number of the corresponding pseudo atom (or 0 if there is no corresponding pseudo atom)

The nomenclature of atoms in amino acid residues follows the IUPAC recommendations (Markley et al, 1998). In addition to real atoms the residue library may contain pseudo atoms identified by the atom type PSEUD that are used in CYANA as dimensionless reference points for distance constraints.

To avoid nomenclature confusion all atom types and residue entries of the standard residue library file are listed in the following:

ATOMTYPES    20      0.10
  1 PSEUD    -10.00    0    0
  2 H_ALI      1.00    0    1
  3 H_AMI      0.95    1    1
  4 H_ARO      1.00    0    1
  5 H_SUL      1.00    1    1
  6 H_OXY      1.00    1    1
  7 C_ALI      1.60    0    6
  8 C_BYL      1.50    0    6
  9 C_ARO      1.60    0    6
 10 C_VIN      1.60    0    6
 11 N_AMI      1.45   -1    7
 12 N_AMO      1.50    0    7
 13 O_BYL      1.30   -1    8
 14 O_HYD      1.30   -1    8
 15 O_EST      1.30   -1    8
 16 S_OXY      1.80    0   16
 17 S_RED      1.80    0   16
 18 P_ALI      1.80    0   15
 19 METAL      1.80    0   50
 20 DUMMY    -10.00    0  999


RESIDUE   ALA      4   14    3   13
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   12    0
  3 CHI1     0    0    0.0000    3    5    8    9   11
  4 PSI      0    0    0.0000    3    5   12   14    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6700    0.0000   -1.0322    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3290    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8069   -0.0007    0.8553    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0929   -0.0011   -1.2414    3    6    8   12    0
  6 HA   H_ALI    0    0.0000    2.7479   -0.8605   -1.2295    5    0    0    0    0
  7 QB   PSEUD    0    0.0000    0.9384   -0.1665   -2.7175    0    0    0    0    0
  8 CB   C_ALI    0    0.0000    1.1594   -0.1351   -2.4354    5    9   10   11    0
  9 HB1  H_ALI    0    0.0000    0.1776    0.2265   -2.1659    8    0    0    0    7
 10 HB2  H_ALI    0    0.0000    1.5440    0.4465   -3.2598    8    0    0    0    7
 11 HB3  H_ALI    0    0.0000    1.0938   -1.1729   -2.7259    8    0    0    0    7
 12 C    C_BYL    0    0.0000    2.9378    1.2621   -1.3672    5   13   14    0    0
 13 O    O_BYL    0    0.0000    2.4397    2.3166   -1.7634   12    0    0    0    0
 14 N    N_AMI    0    0.0000    4.2169    1.1488   -1.0273   12    0    0    0    0

RESIDUE   ARG      7   32    3   31
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   30    0
  3 CHI1     0    0    0.0000    3    5    7   11   29
  4 CHI2     0    0    0.0000    5    7   11   15   29
  5 CHI3     0    0    0.0000    7   11   15   19   29
  6 CHI4     0    0    0.0000   11   15   19   21   29
  7 PSI      0    0    0.0000    3    5   30   32    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6705    0.0000   -1.0325    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3290    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8074    0.0009    0.8554    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0930   -0.0001   -1.2417    3    6    7   30    0
  6 HA   H_ALI    0    0.0000    1.9868    0.9732   -1.6968    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    3.5736   -0.2561   -0.9544    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    4.1586    0.5255   -1.4166    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    3.7305   -0.2285    0.1133    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    3.9444    0.1480   -0.6521    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    4.0725   -1.5942   -1.4748    7   12   13   15    0
 12 HG2  H_ALI    0    0.0000    3.4147   -1.9318   -2.2621   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    5.0708   -1.4678   -1.8664   11    0    0    0   14
 14 QG   PSEUD    0    0.0000    4.2427   -1.6993   -2.0643    0    0    0    0    0
 15 CD   C_ALI    0    0.0000    4.1012   -2.6440   -0.3750   11   16   17   19    0
 16 HD2  H_ALI    0    0.0000    4.9714   -3.2680   -0.5139   15    0    0    0   18
 17 HD3  H_ALI    0    0.0000    4.1659   -2.1438    0.5797   15    0    0    0   18
 18 QD   PSEUD    0    0.0000    4.5691   -2.7059    0.0328    0    0    0    0    0
 19 NE   N_AMI    0    0.0000    2.9076   -3.4854   -0.3902   15   20   21    0    0
 20 HE   H_AMI    0    0.0000    2.8785   -4.2202   -1.0373   19    0    0    0    0
 21 CZ   C_VIN    0    0.0000    1.8714   -3.3057    0.4213   19   22   26    0    0
 22 NH1  N_AMO    0    0.0000    1.8823   -2.3195    1.3074   21   23   24    0    0
 23 HH11 H_AMI    0    0.0000    2.6719   -1.7089    1.3649   22    0    0    0   25
 24 HH12 H_AMI    0    0.0000    1.1002   -2.1856    1.9165   22    0    0    0   25
 25 QH1  PSEUD    0    0.0000    1.8862   -1.9478    1.6412    0    0    0    0    0
 26 NH2  N_AMO    0    0.0000    0.8211   -4.1132    0.3470   21   27   28    0    0
 27 HH21 H_AMI    0    0.0000    0.8092   -4.8576   -0.3199   26    0    0    0   29
 28 HH22 H_AMI    0    0.0000    0.0420   -3.9773    0.9581   26    0    0    0   29
 29 QH2  PSEUD    0    0.0000    0.4254   -4.4174    0.3197    0    0    0    0    0
 30 C    C_BYL    0    0.0000    1.5613   -1.0554   -2.2071    5   31   32    0    0
 31 O    O_BYL    0    0.0000    0.3828   -1.0475   -2.5630   30    0    0    0    0
 32 N    N_AMI    0    0.0000    2.4383   -1.9612   -2.6270   30    0    0    0    0

RESIDUE   ASN      5   19    3   18
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   17    0
  3 CHI1     0    0    0.0000    3    5    7   11   16
  4 CHI2     0    0    0.0000    5    7   11   12   16
  5 PSI      0    0    0.0000    3    5   17   19    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6697    0.0000   -1.0319    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3291    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8075    0.0012    0.8553    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0934   -0.0012   -1.2421    3    6    7   17    0
  6 HA   H_ALI    0    0.0000    3.1247    0.2028   -0.9967    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    2.0044   -1.3706   -1.9187    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    2.5478   -2.0934   -1.3275    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    0.9686   -1.6684   -1.9812    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    1.7585   -1.8807   -1.6536    0    0    0    0    0
 11 CG   C_BYL    0    0.0000    2.5875   -1.3628   -3.3186    7   12   13    0    0
 12 OD1  O_BYL    0    0.0000    3.3707   -2.2405   -3.6817   11    0    0    0    0
 13 ND2  N_AMI    0    0.0000    2.2072   -0.3683   -4.1122   11   14   15    0    0
 14 HD21 H_AMI    0    0.0000    1.5805    0.2955   -3.7553   13    0    0    0   16
 15 HD22 H_AMI    0    0.0000    2.5684   -0.3393   -5.0227   13    0    0    0   16
 16 QD2  PSEUD    0    0.0000    2.0745   -0.0219   -4.3890    0    0    0    0    0
 17 C    C_BYL    0    0.0000    1.5897    1.0814   -2.1918    5   18   19    0    0
 18 O    O_BYL    0    0.0000    0.3881    1.2025   -2.4288   17    0    0    0    0
 19 N    N_AMI    0    0.0000    2.5174    1.8651   -2.7325   17    0    0    0    0

RESIDUE   ASP      5   16    3   15
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   14    0
  3 CHI1     0    0    0.0000    3    5    7   11   13
  4 CHI2     0    0    0.0000    5    7   11   12   13
  5 PSI      0    0    0.0000    3    5   14   16    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6704    0.0000   -1.0326    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3284    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8064   -0.0001    0.8559    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0930   -0.0010   -1.2418    3    6    7   14    0
  6 HA   H_ALI    0    0.0000    2.9760   -0.6024   -1.0871    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.2668   -0.6134   -2.3739    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    0.3177   -0.9460   -1.9791    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    1.0940    0.1370   -3.1312    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    0.7060   -0.4040   -2.5557    0    0    0    0    0
 11 CG   C_BYL    0    0.0000    1.9582   -1.7979   -3.0199    7   12   13    0    0
 12 OD1  O_BYL    0    0.0000    1.6050   -2.1373   -4.1689   11    0    0    0    0
 13 OD2  O_BYL    0    0.0000    2.8531   -2.3850   -2.3769   11    0    0    0    0
 14 C    C_BYL    0    0.0000    2.5224    1.4140   -1.6167    5   15   16    0    0
 15 O    O_BYL    0    0.0000    3.0934    1.6374   -2.6851   14    0    0    0    0
 16 N    N_AMI    0    0.0000    2.2432    2.3653   -0.7323   14    0    0    0    0

RESIDUE   CYS      5   15    3   14
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   13    0
  3 CHI1     0    0    0.0000    3    5    7   11   12
  4 CHI2     0    0    0.0000    5    7   11   12   12
  5 PSI      0    0    0.0000    3    5   13   15    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6710    0.0000   -1.0328    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3283    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8070    0.0006    0.8552    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0929   -0.0001   -1.2422    3    6    7   13    0
  6 HA   H_ALI    0    0.0000    1.3915    0.0279   -2.0621    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    2.9911    1.2357   -1.3126    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    3.3981    1.3194   -2.3096    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    2.4001    2.1135   -1.0976    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    2.8993    1.7163   -1.7044    0    0    0    0    0
 11 SG   S_RED    0    0.0000    4.3791    1.2064   -0.1542    7   12    0    0    0
 12 HG   H_SUL    0    0.0000    3.9015    1.4266    1.0612   11    0    0    0    0
 13 C    C_BYL    0    0.0000    2.9371   -1.2648   -1.3609    5   14   15    0    0
 14 O    O_BYL    0    0.0000    3.2766   -1.6950   -2.4626   13    0    0    0    0
 15 N    N_AMI    0    0.0000    3.2739   -1.8549   -0.2180   13    0    0    0    0

RESIDUE   CYSS     4   14    3   13
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   12    0
  3 CHI1     0    0    0.0000    3    5    7   11   11
  4 PSI      0    0    0.0000    3    5   12   14    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6698    0.0000   -1.0333    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3288    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8073    0.0005    0.8563    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0940   -0.0003   -1.2409    3    6    7   12    0
  6 HA   H_ALI    0    0.0000    3.1017    0.3095   -1.0096    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    2.1310   -1.4070   -1.8414    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    2.8023   -1.4111   -2.6879    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    2.4954   -2.0987   -1.0964    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    2.6493   -1.7548   -1.8927    0    0    0    0    0
 11 SG   S_OXY    0    0.0000    0.5122   -2.0125   -2.4171    7    0    0    0    0
 12 C    C_BYL    0    0.0000    1.4977    0.9790   -2.2479    5   13   14    0    0
 13 O    O_BYL    0    0.0000    2.2054    1.5144   -3.1012   12    0    0    0    0
 14 N    N_AMI    0    0.0000    0.1934    1.2075   -2.1412   12    0    0    0    0

RESIDUE   GLN      6   23    3   22
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   21    0
  3 CHI1     0    0    0.0000    3    5    7   11   20
  4 CHI2     0    0    0.0000    5    7   11   15   20
  5 CHI3     0    0    0.0000    7   11   15   16   20
  6 PSI      0    0    0.0000    3    5   21   23    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6710    0.0000   -1.0316    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3291    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8071    0.0000    0.8548    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0925    0.0007   -1.2423    3    6    7   21    0
  6 HA   H_ALI    0    0.0000    2.7883    0.8250   -1.2031    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    2.8764   -1.3051   -1.3846    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    2.8838   -1.8124   -0.4315    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    2.3813   -1.9307   -2.1126    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    2.6323   -1.8714   -1.2724    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    4.3161   -1.1050   -1.8297    7   12   13   15    0
 12 HG2  H_ALI    0    0.0000    4.5010   -0.0470   -1.9425   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    4.9725   -1.5051   -1.0711   11    0    0    0   14
 14 QG   PSEUD    0    0.0000    4.7367   -0.7766   -1.5064    0    0    0    0    0
 15 CD   C_BYL    0    0.0000    4.6207   -1.7918   -3.1464   11   16   17    0    0
 16 OE1  O_BYL    0    0.0000    4.8139   -3.0069   -3.1959   15    0    0    0    0
 17 NE2  N_AMI    0    0.0000    4.6651   -1.0156   -4.2229   15   18   19    0    0
 18 HE21 H_AMI    0    0.0000    4.5022   -0.0555   -4.1077   17    0    0    0   20
 19 HE22 H_AMI    0    0.0000    4.8607   -1.4329   -5.0867   17    0    0    0   20
 20 QE2  PSEUD    0    0.0000    4.6815   -0.7442   -4.5972    0    0    0    0    0
 21 C    C_BYL    0    0.0000    1.1744    0.1901   -2.4453    5   22   23    0    0
 22 O    O_BYL    0    0.0000    1.6261    0.5456   -3.5345   21    0    0    0    0
 23 N    N_AMI    0    0.0000   -0.1168   -0.0499   -2.2416   21    0    0    0    0

RESIDUE   GLU      6   20    3   19
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   18    0
  3 CHI1     0    0    0.0000    3    5    7   11   17
  4 CHI2     0    0    0.0000    5    7   11   15   17
  5 CHI3     0    0    0.0000    7   11   15   16   17
  6 PSI      0    0    0.0000    3    5   18   20    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6707    0.0000   -1.0316    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3294    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8078    0.0014    0.8552    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0926   -0.0012   -1.2425    3    6    7   18    0
  6 HA   H_ALI    0    0.0000    1.9709   -0.9687   -1.7055    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.5634    1.0747   -2.1931    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    0.7663    0.6527   -2.7873    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    1.1693    1.8923   -1.6077    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    0.9673    1.2723   -2.1970    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    2.6199    1.6283   -3.1344    7   12   13   15    0
 12 HG2  H_ALI    0    0.0000    3.0850    0.8058   -3.6568   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    2.1407    2.2818   -3.8485   11    0    0    0   14
 14 QG   PSEUD    0    0.0000    2.6125    1.5444   -3.7528    0    0    0    0    0
 15 CD   C_BYL    0    0.0000    3.6966    2.4105   -2.4076   11   16   17    0    0
 16 OE1  O_BYL    0    0.0000    4.8838    2.0445   -2.5361   15    0    0    0    0
 17 OE2  O_BYL    0    0.0000    3.3526    3.3877   -1.7106   15    0    0    0    0
 18 C    C_BYL    0    0.0000    3.5761    0.2304   -0.9700    5   19   20    0    0
 19 O    O_BYL    0    0.0000    4.0638    1.3570   -1.0535   18    0    0    0    0
 20 N    N_AMI    0    0.0000    4.2861   -0.8437   -0.6437   18    0    0    0    0

RESIDUE   GLY      3   11    3   10
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5    9    0
  3 PSI      0    0    0.0000    3    5    9   11    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6692    0.0000   -1.0323    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3297    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8108   -0.0006    0.8540    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0715    0.0010   -1.2473    3    6    7    9    0
  6 HA2  H_ALI    0    0.0000    3.0936    0.2846   -1.0454    5    0    0    0    8
  7 HA3  H_ALI    0    0.0000    2.0603   -0.9971   -1.6602    5    0    0    0    8
  8 QA   PSEUD    0    0.0000    2.5774   -0.3562   -1.3522    0    0    0    0    0
  9 C    C_BYL    0    0.0000    1.4887    0.9585   -2.2677    5   10   11    0    0
 10 O    O_BYL    0    0.0000    0.8547    1.9500   -1.9070    9    0    0    0    0
 11 N    N_AMI    0    0.0000    1.7048    0.6630   -3.5448    9    0    0    0    0

RESIDUE   HIS      5   21    3   20
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   19    0
  3 CHI1     0    0    0.0000    3    5    7   11   18
  4 CHI2     0    0    0.0000    5    7   11   12   18
  5 PSI      0    0    0.0000    3    5   19   21    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6701    0.0000   -1.0332    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3293    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8070    0.0003    0.8554    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0938   -0.0011   -1.2422    3    6    7   19    0
  6 HA   H_ALI    0    0.0000    2.9131   -0.6943   -1.1267    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.2148   -0.4593   -2.4063    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    0.8160   -1.4381   -2.1840    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    0.3982    0.2377   -2.5286    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    0.6067   -0.6004   -2.3561    0    0    0    0    0
 11 CG   C_VIN    0    0.0000    1.9458   -0.5466   -3.7106    7   12   13    0    0
 12 ND1  N_AMO    0    0.0000    2.0267    0.5042   -4.5998   11   14   15    0    0
 13 CD2  C_ARO    0    0.0000    2.6332   -1.5677   -4.2736   11   16   17    0    0
 14 HD1  H_AMI    0    0.0000    1.6262    1.3897   -4.4771   12    0    0    0    0
 15 CE1  C_ARO    0    0.0000    2.7307    0.1327   -5.6541   12   16   18    0    0
 16 NE2  N_AMO    0    0.0000    3.1109   -1.1203   -5.4808   13   15    0    0    0
 17 HD2  H_ARO    0    0.0000    2.7791   -2.5526   -3.8523   13    0    0    0    0
 18 HE1  H_ARO    0    0.0000    2.9577    0.7481   -6.5117   15    0    0    0    0
 19 C    C_BYL    0    0.0000    2.6608    1.3853   -1.5324    5   20   21    0    0
 20 O    O_BYL    0    0.0000    2.0136    2.2074   -2.1819   19    0    0    0    0
 21 N    N_AMI    0    0.0000    3.8715    1.6376   -1.0466   19    0    0    0    0

RESIDUE   ILE      7   25    3   24
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   23    0
  3 CHI1     0    0    0.0000    3    5    7   14   22
  4 CHI22    0    0    0.0000    5    7   10   11   13
  5 CHI21    0    0    0.0000    5    7   14   19   22
  6 CHI31    0    0    0.0000    7   14   19   20   22
  7 PSI      0    0    0.0000    3    5   23   25    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6710    0.0000   -1.0325    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3287    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8068    0.0005    0.8551    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0921   -0.0019   -1.2417    3    6    7   23    0
  6 HA   H_ALI    0    0.0000    3.1318    0.1564   -0.9936    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.9688   -1.3499   -1.9763    5    8   10   14    0
  8 HB   H_ALI    0    0.0000    1.7189   -2.1085   -1.2505    7    0    0    0    0
  9 QG2  PSEUD    0    0.0000    0.5848   -1.2788   -3.2482    0    0    0    0    0
 10 CG2  C_ALI    0    0.0000    0.8497   -1.2919   -3.0053    7   11   12   13    0
 11 HG21 H_ALI    0    0.0000    0.2176   -2.1612   -2.8989   10    0    0    0    9
 12 HG22 H_ALI    0    0.0000    0.2625   -0.3997   -2.8479   10    0    0    0    9
 13 HG23 H_ALI    0    0.0000    1.2735   -1.2742   -3.9980   10    0    0    0    9
 14 CG1  C_ALI    0    0.0000    3.2960   -1.7146   -2.6446    7   15   16   19    0
 15 HG12 H_ALI    0    0.0000    4.0841   -1.1156   -2.2165   14    0    0    0   17
 16 HG13 H_ALI    0    0.0000    3.5055   -2.7593   -2.4651   14    0    0    0   17
 17 QG1  PSEUD    0    0.0000    3.7953   -1.9376   -2.3415    0    0    0    0    0
 18 QD1  PSEUD    0    0.0000    3.3033   -1.4337   -4.4962    0    0    0    0    0
 19 CD1  C_ALI    0    0.0000    3.3015   -1.4888   -4.1403   14   20   21   22    0
 20 HD11 H_ALI    0    0.0000    4.1589   -1.9803   -4.5759   19    0    0    0   18
 21 HD12 H_ALI    0    0.0000    2.3971   -1.8928   -4.5693   19    0    0    0   18
 22 HD13 H_ALI    0    0.0000    3.3538   -0.4287   -4.3439   19    0    0    0   18
 23 C    C_BYL    0    0.0000    1.6315    1.1152   -2.1719    5   24   25    0    0
 24 O    O_BYL    0    0.0000    1.5213    2.2715   -1.7640   23    0    0    0    0
 25 N    N_AMI    0    0.0000    1.3618    0.7614   -3.4244   23    0    0    0    0

RESIDUE   LEU      7   26    3   25
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   24    0
  3 CHI1     0    0    0.0000    3    5    7   11   23
  4 CHI2     0    0    0.0000    5    7   11   15   23
  5 CHI31    0    0    0.0000    7   11   15   16   18
  6 CHI32    0    0    0.0000    7   11   19   20   22
  7 PSI      0    0    0.0000    3    5   24   26    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6702    0.0000   -1.0335    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3284    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8070    0.0001    0.8547    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0935   -0.0003   -1.2421    3    6    7   24    0
  6 HA   H_ALI    0    0.0000    2.8666   -0.7491   -1.1547    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.1872   -0.3548   -2.4223    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    0.3744    0.3548   -2.4397    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    1.7697   -0.2547   -3.3272    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    1.0724    0.0502   -2.8831    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    0.5824   -1.7591   -2.4060    7   12   15   19    0
 12 HG   H_ALI    0    0.0000    0.7825   -2.2193   -1.4481   11    0    0    0    0
 13 QD1  PSEUD    0    0.0000   -1.2829   -1.6770   -2.6306    0    0    0    0   23
 14 QD2  PSEUD    0    0.0000    1.3635   -2.8281   -3.7419    0    0    0    0   23
 15 CD1  C_ALI    0    0.0000   -0.9260   -1.6928   -2.5880   11   16   17   18    0
 16 HD11 H_ALI    0    0.0000   -1.3448   -1.0016   -1.8725   15    0    0    0   13
 17 HD12 H_ALI    0    0.0000   -1.3507   -2.6735   -2.4325   15    0    0    0   13
 18 HD13 H_ALI    0    0.0000   -1.1532   -1.3573   -3.5894   15    0    0    0   13
 19 CD2  C_ALI    0    0.0000    1.2143   -2.6245   -3.4865   11   20   21   22    0
 20 HD21 H_ALI    0    0.0000    2.2772   -2.4362   -3.5219   19    0    0    0   14
 21 HD22 H_ALI    0    0.0000    0.7742   -2.3838   -4.4435   19    0    0    0   14
 22 HD23 H_ALI    0    0.0000    1.0401   -3.6660   -3.2611   19    0    0    0   14
 23 QQD  PSEUD    0    0.0000    0.0405   -2.2523   -3.1866    0    0    0    0    0
 24 C    C_BYL    0    0.0000    2.7482    1.3569   -1.4787    5   25   26    0    0
 25 O    O_BYL    0    0.0000    3.8648    1.6064   -1.0249   24    0    0    0    0
 26 N    N_AMI    0    0.0000    2.0448    2.2313   -2.1903   24    0    0    0    0

RESIDUE   LYS      8   30    3   29
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   28    0
  3 CHI1     0    0    0.0000    3    5    7   11   27
  4 CHI2     0    0    0.0000    5    7   11   15   27
  5 CHI3     0    0    0.0000    7   11   15   19   27
  6 CHI4     0    0    0.0000   11   15   19   23   27
  7 CHI5     0    0    0.0000   15   19   23   24   27
  8 PSI      0    0    0.0000    3    5   28   30    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6693    0.0000   -1.0334    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3287    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8065    0.0001    0.8564    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0943   -0.0015   -1.2409    3    6    7   28    0
  6 HA   H_ALI    0    0.0000    3.1355   -0.1327   -0.9882    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.6493   -1.1592   -2.1374    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    2.2454   -1.1510   -3.0380    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    1.8170   -2.0893   -1.6135    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    2.0309   -1.6203   -2.3264    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    0.1846   -1.0931   -2.5340    7   12   13   15    0
 12 HG2  H_ALI    0    0.0000   -0.2166   -0.1354   -2.2374   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    0.1063   -1.2018   -3.6065   11    0    0    0   14
 14 QG   PSEUD    0    0.0000   -0.0555   -0.6683   -2.9214    0    0    0    0    0
 15 CD   C_ALI    0    0.0000   -0.6241   -2.1926   -1.8662   11   16   17   19    0
 16 HD2  H_ALI    0    0.0000   -0.9766   -1.8379   -0.9091   15    0    0    0   18
 17 HD3  H_ALI    0    0.0000   -1.4687   -2.4384   -2.4944   15    0    0    0   18
 18 QD   PSEUD    0    0.0000   -1.2226   -2.1381   -1.7022    0    0    0    0    0
 19 CE   C_ALI    0    0.0000    0.2112   -3.4449   -1.6483   15   20   21   23    0
 20 HE2  H_ALI    0    0.0000   -0.1163   -3.9267   -0.7399   19    0    0    0   22
 21 HE3  H_ALI    0    0.0000    0.0603   -4.1121   -2.4841   19    0    0    0   22
 22 QE   PSEUD    0    0.0000   -0.0280   -4.0193   -1.6125    0    0    0    0    0
 23 NZ   N_AMO    0    0.0000    1.6624   -3.1308   -1.5345   19   24   25   26    0
 24 HZ1  H_AMI    0    0.0000    2.2269   -3.8899   -1.9670   23    0    0    0   27
 25 HZ2  H_AMI    0    0.0000    1.9313   -3.0417   -0.5340   23    0    0    0   27
 26 HZ3  H_AMI    0    0.0000    1.8738   -2.2361   -2.0204   23    0    0    0   27
 27 QZ   PSEUD    0    0.0000    2.0109   -3.0557   -1.5071    0    0    0    0    0
 28 C    C_BYL    0    0.0000    1.9311    1.3214   -1.9825    5   29   30    0    0
 29 O    O_BYL    0    0.0000    2.4509    2.3523   -1.5546   28    0    0    0    0
 30 N    N_AMI    0    0.0000    1.2050    1.2852   -3.0953   28    0    0    0    0

RESIDUE   MET      7   23    3   22
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   21    0
  3 CHI1     0    0    0.0000    3    5    7   11   20
  4 CHI2     0    0    0.0000    5    7   11   15   20
  5 CHI3     0    0    0.0000    7   11   15   17   20
  6 CHI4     0    0    0.0000   11   15   17   18   20
  7 PSI      0    0    0.0000    3    5   21   23    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6702    0.0000   -1.0321    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3290    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8080   -0.0004    0.8551    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0928   -0.0007   -1.2423    3    6    7   21    0
  6 HA   H_ALI    0    0.0000    3.1087   -0.2795   -1.0061    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.5120   -1.0217   -2.2225    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    2.2352   -1.8089   -2.3745    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    0.6155   -1.4449   -1.7945    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    1.4254   -1.6269   -2.0845    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    1.1591   -0.4305   -3.5777    7   12   13   15    0
 12 HG2  H_ALI    0    0.0000    1.7542    0.4567   -3.7350   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    1.3906   -1.1568   -4.3427   11    0    0    0   14
 14 QG   PSEUD    0    0.0000    1.5721   -0.3497   -4.0391    0    0    0    0    0
 15 SD   S_RED    0    0.0000   -0.5835    0.0135   -3.7093   11   17    0    0    0
 16 QE   PSEUD    0    0.0000   -1.2085   -0.1792   -1.6606    0    0    0    0    0
 17 CE   C_ALI    0    0.0000   -1.1036   -0.1471   -2.0029   15   18   19   20    0
 18 HE1  H_ALI    0    0.0000   -1.8857   -0.8885   -1.9330   17    0    0    0   16
 19 HE2  H_ALI    0    0.0000   -0.2628   -0.4524   -1.3979   17    0    0    0   16
 20 HE3  H_ALI    0    0.0000   -1.4760    0.8036   -1.6495   17    0    0    0   16
 21 C    C_BYL    0    0.0000    2.0981    1.3859   -1.8780    5   22   23    0    0
 22 O    O_BYL    0    0.0000    1.2079    2.1990   -1.6263   21    0    0    0    0
 23 N    N_AMI    0    0.0000    3.1060    1.6500   -2.7025   21    0    0    0    0

RESIDUE   PHE      5   27    3   26
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   25    0
  3 CHI1     0    0    0.0000    3    5    7   14   24
  4 CHI2     0    0    0.0000    5    7   14   15   24
  5 PSI      0    0    0.0000    3    5   25   27    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6699    0.0000   -1.0330    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3289    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8069    0.0008    0.8560    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0934   -0.0002   -1.2418    3    6    7   25    0
  6 HA   H_ALI    0    0.0000    1.5056   -0.5064   -1.9918    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    2.3597    1.4346   -1.7018    5    8    9   14    0
  8 HB2  H_ALI    0    0.0000    2.2658    2.0994   -0.8564    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    3.3630    1.4983   -2.0951    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    2.8144    1.7988   -1.4757    0    0    0    0    0
 11 QD   PSEUD    0    0.0000    1.3087    1.9595   -2.8846    0    0    0    0   13
 12 QE   PSEUD    0    0.0000   -0.2434    2.7360   -4.6304    0    0    0    0   13
 13 QR   PSEUD    0    0.0000    0.5328    2.3482   -3.7577    0    0    0    0    0
 14 CG   C_VIN    0    0.0000    1.4130    1.9079   -2.7675    7   15   23    0    0
 15 CD1  C_ARO    0    0.0000    0.7466    3.1153   -2.6343   14   16   17    0    0
 16 HD1  H_ARO    0    0.0000    0.9138    3.7186   -1.7529   15    0    0    0   11
 17 CE1  C_ARO    0    0.0000   -0.1250    3.5540   -3.6133   15   18   19    0    0
 18 HE1  H_ARO    0    0.0000   -0.6383    4.4969   -3.4963   17    0    0    0   12
 19 CZ   C_ARO    0    0.0000   -0.3397    2.7840   -4.7395   17   20   21    0    0
 20 HZ   H_ARO    0    0.0000   -1.0196    3.1251   -5.5058   19    0    0    0   13
 21 CE2  C_ARO    0    0.0000    0.3191    1.5787   -4.8847   19   22   23    0    0
 22 HE2  H_ARO    0    0.0000    0.1527    0.9747   -5.7642   21    0    0    0   12
 23 CD2  C_ARO    0    0.0000    1.1891    1.1450   -3.9023   14   21   24    0    0
 24 HD2  H_ARO    0    0.0000    1.7026    0.2017   -4.0169   23    0    0    0   11
 25 C    C_BYL    0    0.0000    3.4144   -0.7437   -1.0671    5   26   27    0    0
 26 O    O_BYL    0    0.0000    3.4621   -1.9706   -1.1461   25    0    0    0    0
 27 N    N_AMI    0    0.0000    4.4832    0.0092   -0.8301   25    0    0    0    0

RESIDUE   PRO      2   20    3   19
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PSI      0    0    0.0000    3    5   18   20    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6561    0.0000   -1.0418    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3413    0.0000    0.0000    1    4    5    0    0
  4 CD   C_ALI    0    0.0000    2.1884    0.0004    1.2045    3   11   15   16    0
  5 CA   C_ALI    0    0.0000    2.1329   -0.0010   -1.2338    3    6    7   18    0
  6 HA   H_ALI    0    0.0000    1.8441    0.8061   -1.8911    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    3.5628    0.2285   -0.7380    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    4.2546   -0.3236   -1.3586    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    3.7967    1.2817   -0.7775    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    4.0254    0.4796   -1.0674    0    0    0    0    0
 11 CG   C_ALI    0    0.0000    3.5636   -0.2772    0.6633    4    7   12   13    0
 12 HG2  H_ALI    0    0.0000    3.7625   -1.3380    0.6708   11    0    0    0   14
 13 HG3  H_ALI    0    0.0000    4.3073    0.2496    1.2428   11    0    0    0   14
 14 QG   PSEUD    0    0.0000    4.0352   -0.5439    0.9570    0    0    0    0    0
 15 HD2  H_ALI    0    0.0000    1.8873   -0.7796    1.8880    4    0    0    0   17
 16 HD3  H_ALI    0    0.0000    2.1624    0.9634    1.6929    4    0    0    0   17
 17 QD   PSEUD    0    0.0000    2.0249    0.0921    1.7911    0    0    0    0    0
 18 C    C_BYL    0    0.0000    2.0353   -1.3249   -1.9841    5   19   20    0    0
 19 O    O_BYL    0    0.0000    1.0984   -1.5471   -2.7510   18    0    0    0    0
 20 N    N_AMI    0    0.0000    3.0080   -2.2009   -1.7577   18    0    0    0    0

RESIDUE   SER      5   15    3   14
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   13    0
  3 CHI1     0    0    0.0000    3    5    7   11   12
  4 CHI2     0    0    0.0000    5    7   11   12   12
  5 PSI      0    0    0.0000    3    5   13   15    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6702    0.0000   -1.0325    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3292    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8069    0.0014    0.8560    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0936    0.0018   -1.2418    3    6    7   13    0
  6 HA   H_ALI    0    0.0000    1.4845    0.4623   -2.0053    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    3.3790    0.8141   -1.0730    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    4.1957    0.1471   -0.8427    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    3.5921    1.3405   -1.9922    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    3.8934    0.7433   -1.4169    0    0    0    0    0
 11 OG   O_HYD    0    0.0000    3.2513    1.7588   -0.0245    7   12    0    0    0
 12 HG   H_OXY    0    0.0000    2.7779    2.5303   -0.3443   11    0    0    0    0
 13 C    C_BYL    0    0.0000    2.4313   -1.4219   -1.6739    5   14   15    0    0
 14 O    O_BYL    0    0.0000    3.3640   -2.0335   -1.1556   13    0    0    0    0
 15 N    N_AMI    0    0.0000    1.6647   -1.9418   -2.6269   13    0    0    0    0

RESIDUE   THR      6   18    3   17
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   16    0
  3 CHI1     0    0    0.0000    3    5    7   10   15
  4 CHI21    0    0    0.0000    5    7   10   11   11
  5 CHI22    0    0    0.0000    5    7   12   13   15
  6 PSI      0    0    0.0000    3    5   16   18    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6693    0.0000   -1.0338    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3295    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8063    0.0008    0.8561    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0938    0.0000   -1.2409    3    6    7   16    0
  6 HA   H_ALI    0    0.0000    2.4059    1.0149   -1.4404    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    3.3532   -0.8793   -1.1250    5    8   10   12    0
  8 HB   H_ALI    0    0.0000    3.3321   -1.6176   -1.9139    7    0    0    0    0
  9 QG2  PSEUD    0    0.0000    4.9118    0.1565   -1.3122    0    0    0    0    0
 10 OG1  O_HYD    0    0.0000    3.3686   -1.5486    0.1408    7   11    0    0    0
 11 HG1  H_OXY    0    0.0000    4.2121   -1.3956    0.5736   10    0    0    0    0
 12 CG2  C_ALI    0    0.0000    4.6139   -0.0416   -1.2768    7   13   14   15    0
 13 HG21 H_ALI    0    0.0000    4.3455    1.0012   -1.3599   12    0    0    0    9
 14 HG22 H_ALI    0    0.0000    5.1453   -0.3488   -2.1652   12    0    0    0    9
 15 HG23 H_ALI    0    0.0000    5.2453   -0.1825   -0.4126   12    0    0    0    9
 16 C    C_BYL    0    0.0000    1.2475   -0.4956   -2.4079    5   17   18    0    0
 17 O    O_BYL    0    0.0000    0.7354   -1.6152   -2.3854   16    0    0    0    0
 18 N    N_AMI    0    0.0000    1.1045    0.3443   -3.4277   16    0    0    0    0

RESIDUE   TRP      5   28    3   27
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   26    0
  3 CHI1     0    0    0.0000    3    5    7   11   25
  4 CHI2     0    0    0.0000    5    7   11   12   25
  5 PSI      0    0    0.0000    3    5   26   28    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6706    0.0000   -1.0323    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3280    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8066    0.0000    0.8556    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0921    0.0000   -1.2424    3    6    7   26    0
  6 HA   H_ALI    0    0.0000    3.1375   -0.0935   -0.9875    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.6852   -1.1882   -2.1154    5    8    9   11    0
  8 HB2  H_ALI    0    0.0000    1.2731   -1.9639   -1.4876    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    0.9345   -0.8654   -2.8223    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    1.1036   -1.4153   -2.1544    0    0    0    0    0
 11 CG   C_VIN    0    0.0000    2.8270   -1.7762   -2.8880    7   12   13    0    0
 12 CD1  C_ARO    0    0.0000    3.1766   -1.4923   -4.1773   11   16   17    0    0
 13 CD2  C_VIN    0    0.0000    3.7671   -2.7495   -2.4203   11   14   15    0    0
 14 CE3  C_ARO    0    0.0000    3.9433   -3.4254   -1.2100   13   18   19    0    0
 15 CE2  C_VIN    0    0.0000    4.6595   -3.0090   -3.4789   13   16   20    0    0
 16 NE1  N_AMI    0    0.0000    4.2775   -2.2306   -4.5393   12   15   21    0    0
 17 HD1  H_ARO    0    0.0000    2.6539   -0.7899   -4.8083   12    0    0    0    0
 18 HE3  H_ARO    0    0.0000    3.2812   -3.2553   -0.3738   14    0    0    0    0
 19 CZ3  C_ARO    0    0.0000    4.9856   -4.3254   -1.0953   14   22   23    0    0
 20 CZ2  C_ARO    0    0.0000    5.7094   -3.9159   -3.3616   15   23   24    0    0
 21 HE1  H_AMI    0    0.0000    4.7183   -2.2025   -5.4146   16    0    0    0    0
 22 HZ3  H_ARO    0    0.0000    5.1371   -4.8576   -0.1676   19    0    0    0    0
 23 CH2  C_ARO    0    0.0000    5.8583   -4.5636   -2.1654   19   20   25    0    0
 24 HZ2  H_ARO    0    0.0000    6.3909   -4.1100   -4.1770   20    0    0    0    0
 25 HH2  H_ARO    0    0.0000    6.6583   -5.2751   -2.0311   23    0    0    0    0
 26 C    C_BYL    0    0.0000    1.8870    1.3027   -2.0076    5   27   28    0    0
 27 O    O_BYL    0    0.0000    1.5463    2.3312   -1.4228   26    0    0    0    0
 28 N    N_AMI    0    0.0000    2.0962    1.2529   -3.3190   26    0    0    0    0

RESIDUE   TYR      6   28    3   27
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   26    0
  3 CHI1     0    0    0.0000    3    5    7   14   25
  4 CHI2     0    0    0.0000    5    7   14   15   25
  5 CHI6     0    0    0.0000   17   19   24   25   25
  6 PSI      0    0    0.0000    3    5   26   28    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6703    0.0000   -1.0328    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3283    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8067    0.0012    0.8552    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0926    0.0007   -1.2417    3    6    7   26    0
  6 HA   H_ALI    0    0.0000    2.6339    0.9338   -1.2975    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    3.0946   -1.1550   -1.2490    5    8    9   14    0
  8 HB2  H_ALI    0    0.0000    3.7086   -1.0846   -2.1335    7    0    0    0   10
  9 HB3  H_ALI    0    0.0000    3.7232   -1.0829   -0.3735    7    0    0    0   10
 10 QB   PSEUD    0    0.0000    3.7159   -1.0838   -1.2535    0    0    0    0    0
 11 QD   PSEUD    0    0.0000    2.3703   -2.6769   -1.2423    0    0    0    0   13
 12 QE   PSEUD    0    0.0000    1.3124   -4.8971   -1.2330    0    0    0    0   13
 13 QR   PSEUD    0    0.0000    1.8414   -3.7873   -1.2373    0    0    0    0    0
 14 CG   C_VIN    0    0.0000    2.4445   -2.5201   -1.2433    7   15   22    0    0
 15 CD1  C_ARO    0    0.0000    2.5614   -3.3621   -0.1441   14   16   17    0    0
 16 HD1  H_ARO    0    0.0000    3.1267   -3.0292    0.7144   15    0    0    0   11
 17 CE1  C_ARO    0    0.0000    1.9698   -4.6105   -0.1345   15   18   19    0    0
 18 HE1  H_ARO    0    0.0000    2.0716   -5.2509    0.7293   17    0    0    0   12
 19 CZ   C_VIN    0    0.0000    1.2489   -5.0319   -1.2323   17   20   24    0    0
 20 CE2  C_ARO    0    0.0000    1.1182   -4.2145   -2.3356   19   21   22    0    0
 21 HE2  H_ARO    0    0.0000    0.5541   -4.5449   -3.1953   20    0    0    0   12
 22 CD2  C_ARO    0    0.0000    1.7144   -2.9684   -2.3370   14   20   23    0    0
 23 HD2  H_ARO    0    0.0000    1.6144   -2.3257   -3.1998   22    0    0    0   11
 24 OH   O_HYD    0    0.0000    0.6577   -6.2745   -1.2276   19   25    0    0    0
 25 HH   H_OXY    0    0.0000    0.4800   -6.5407   -0.3224   24    0    0    0    0
 26 C    C_BYL    0    0.0000    1.1680   -0.1054   -2.4506    5   27   28    0    0
 27 O    O_BYL    0    0.0000    1.6224   -0.3027   -3.5762   26    0    0    0    0
 28 N    N_AMI    0    0.0000   -0.1313    0.0279   -2.2068   26    0    0    0    0

RESIDUE   VAL      6   22    3   21
  1 OMEGA    0    0    0.0000    2    1    3    4    0
  2 PHI      0    0    0.0000    1    3    5   20    0
  3 CHI1     0    0    0.0000    3    5    7   11   19
  4 CHI21    0    0    0.0000    5    7   11   12   14
  5 CHI22    0    0    0.0000    5    7   15   16   18
  6 PSI      0    0    0.0000    3    5   20   22    0
  1 C    C_BYL    0    0.0000    0.0000    0.0000    0.0000    2    3    0    0    0
  2 O    O_BYL    0    0.0000   -0.6697    0.0000   -1.0330    1    0    0    0    0
  3 N    N_AMI    0    0.0000    1.3293    0.0000    0.0000    1    4    5    0    0
  4 H    H_AMI    0    0.0000    1.8072    0.0005    0.8555    3    0    0    0    0
  5 CA   C_ALI    0    0.0000    2.0938   -0.0019   -1.2415    3    6    7   20    0
  6 HA   H_ALI    0    0.0000    2.1012   -1.0109   -1.6276    5    0    0    0    0
  7 CB   C_ALI    0    0.0000    1.4503    0.9154   -2.2983    5    8   11   15    0
  8 HB   H_ALI    0    0.0000    0.6281    0.3838   -2.7544    7    0    0    0    0
  9 QG1  PSEUD    0    0.0000    0.7688    2.4740   -1.4945    0    0    0    0   19
 10 QG2  PSEUD    0    0.0000    2.6938    1.3452   -3.6425    0    0    0    0   19
 11 CG1  C_ALI    0    0.0000    0.8998    2.1754   -1.6479    7   12   13   14    0
 12 HG11 H_ALI    0    0.0000   -0.1272    2.0104   -1.3566   11    0    0    0    9
 13 HG12 H_ALI    0    0.0000    1.4886    2.4172   -0.7752   11    0    0    0    9
 14 HG13 H_ALI    0    0.0000    0.9463    2.9933   -2.3519   11    0    0    0    9
 15 CG2  C_ALI    0    0.0000    2.4562    1.2625   -3.3854    7   16   17   18    0
 16 HG21 H_ALI    0    0.0000    1.9545    1.2979   -4.3409   15    0    0    0   10
 17 HG22 H_ALI    0    0.0000    2.8968    2.2263   -3.1745   15    0    0    0   10
 18 HG23 H_ALI    0    0.0000    3.2312    0.5112   -3.4126   15    0    0    0   10
 19 QQG  PSEUD    0    0.0000    1.7314    1.9094   -2.5689    0    0    0    0    0
 20 C    C_BYL    0    0.0000    3.5311    0.4467   -1.0025    5   21   22    0    0
 21 O    O_BYL    0    0.0000    4.3815   -0.3474   -0.6009   20    0    0    0    0
 22 N    N_AMI    0    0.0000    3.7953    1.7249   -1.2517   20    0    0    0    0

RESIDUE   ADE      9   38    3   37
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   37    0
  6 NU2      0    0    0.0000   11   13   15   19   36
  7 NU1      0    0    0.0000   13   15   19   21   36
  8 CHI      0    0    0.0000   21   19   22   23   36
  9 EPSI     0    0    0.0000   11   13   37   38    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   37    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0   18
 17 H2"  H_ALI    0    0.0000    8.8302    1.4994   -2.3943   15    0    0    0   18
 18 Q2'  PSEUD    0    0.0000    8.2281    1.7005   -1.7670    0    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N9   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   35    0    0
 23 C4   C_ARO    0    0.0000    6.1408    4.2384   -4.0868   22   24   33    0    0
 24 N3   N_AMI    0    0.0000    5.9075    3.8622   -5.3748   23   25    0    0    0
 25 C2   C_ARO    0    0.0000    5.5246    4.9339   -6.0935   24   26   27    0    0
 26 H2   H_ARO    0    0.0000    5.2952    4.8260   -7.1434   25    0    0    0    0
 27 N1   N_AMI    0    0.0000    5.3670    6.2160   -5.6946   25   28    0    0    0
 28 C6   C_ARO    0    0.0000    5.6165    6.5266   -4.3932   27   29   33    0    0
 29 N6   N_AMI    0    0.0000    5.4556    7.8168   -4.0013   28   30   31    0    0
 30 H61  H_AMI    0    0.0000    5.1587    8.5141   -4.6690   29    0    0    0   32
 31 H62  H_AMI    0    0.0000    5.6329    8.0791   -3.0422   29    0    0    0   32
 32 Q6   PSEUD    0    0.0000    5.3958    8.2967   -3.8556    0    0    0    0    0
 33 C5   C_ARO    0    0.0000    6.0263    5.4782   -3.5425   23   28   34    0    0
 34 N7   N_AMI    0    0.0000    6.3472    5.4625   -2.2117   33   35    0    0    0
 35 C8   C_ARO    0    0.0000    6.6548    4.1920   -1.9724   22   34   36    0    0
 36 H8   H_ARO    0    0.0000    6.9627    3.7816   -1.0220   35    0    0    0    0
 37 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   38    0    0    0
 38 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   37    0    0    0    0

RESIDUE   RADE    10   38    3   37
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   37    0
  6 NU2      0    0    0.0000   11   13   15   19   36
  7 HOXI     0    0    0.0000   13   15   17   18   18
  8 NU1      0    0    0.0000   13   15   19   21   36
  9 CHI      0    0    0.0000   21   19   22   23   36
 10 EPSI     0    0    0.0000   11   13   37   38    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   37    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0    0
 17 O2'  O_HYD    0    0.0000    9.1284    1.3667   -2.5196   15   18    0    0    0
 18 HO2' H_OXY    0    0.0000    9.6511    1.9350   -1.9491   17    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N9   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   35    0    0
 23 C4   C_ARO    0    0.0000    6.1408    4.2384   -4.0868   22   24   33    0    0
 24 N3   N_AMI    0    0.0000    5.9075    3.8622   -5.3748   23   25    0    0    0
 25 C2   C_ARO    0    0.0000    5.5246    4.9339   -6.0935   24   26   27    0    0
 26 H2   H_ARO    0    0.0000    5.2952    4.8260   -7.1434   25    0    0    0    0
 27 N1   N_AMI    0    0.0000    5.3670    6.2160   -5.6946   25   28    0    0    0
 28 C6   C_ARO    0    0.0000    5.6165    6.5266   -4.3932   27   29   33    0    0
 29 N6   N_AMI    0    0.0000    5.4556    7.8168   -4.0013   28   30   31    0    0
 30 H61  H_AMI    0    0.0000    5.1587    8.5141   -4.6690   29    0    0    0   32
 31 H62  H_AMI    0    0.0000    5.6329    8.0791   -3.0422   29    0    0    0   32
 32 Q6   PSEUD    0    0.0000    5.3958    8.2967   -3.8556    0    0    0    0    0
 33 C5   C_ARO    0    0.0000    6.0263    5.4782   -3.5425   23   28   34    0    0
 34 N7   N_AMI    0    0.0000    6.3472    5.4625   -2.2117   33   35    0    0    0
 35 C8   C_ARO    0    0.0000    6.6548    4.1920   -1.9724   22   34   36    0    0
 36 H8   H_ARO    0    0.0000    6.9627    3.7816   -1.0220   35    0    0    0    0
 37 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   38    0    0    0
 38 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   37    0    0    0    0

RESIDUE   CYT      9   36    3   35
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   35    0
  6 NU2      0    0    0.0000   11   13   15   19   34
  7 NU1      0    0    0.0000   13   15   19   21   34
  8 CHI      0    0    0.0000   21   19   22   23   34
  9 EPSI     0    0    0.0000   11   13   35   36    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   35    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0   18
 17 H2"  H_ALI    0    0.0000    8.8302    1.4994   -2.3943   15    0    0    0   18
 18 Q2'  PSEUD    0    0.0000    8.2281    1.7005   -1.7670    0    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N1   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   33    0    0
 23 C2   C_ARO    0    0.0000    6.1389    4.0815   -4.2243   22   24   25    0    0
 24 O2   O_BYL    0    0.0000    6.0169    3.4341   -5.2700   23    0    0    0    0
 25 N3   N_AMI    0    0.0000    5.8946    5.4025   -4.1571   23   26    0    0    0
 26 C4   C_ARO    0    0.0000    6.0297    6.0775   -3.0332   25   27   31    0    0
 27 N4   N_AMI    0    0.0000    5.7838    7.3807   -2.9873   26   28   29    0    0
 28 H41  H_AMI    0    0.0000    5.4886    7.8687   -3.8210   27    0    0    0   30
 29 H42  H_AMI    0    0.0000    5.8918    7.8848   -2.1187   27    0    0    0   30
 30 Q4   PSEUD    0    0.0000    5.6902    7.8767   -2.9699    0    0    0    0    0
 31 C5   C_ARO    0    0.0000    6.4503    5.4099   -1.8227   26   32   33    0    0
 32 H5   H_ARO    0    0.0000    6.5586    5.9709   -0.9063   31    0    0    0    0
 33 C6   C_ARO    0    0.0000    6.6903    4.0931   -1.9056   22   31   34    0    0
 34 H6   H_ARO    0    0.0000    7.0071    3.5458   -1.0302   33    0    0    0    0
 35 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   36    0    0    0
 36 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   35    0    0    0    0

RESIDUE   RCYT    10   36    3   35
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   35    0
  6 NU2      0    0    0.0000   11   13   15   19   34
  7 HOXI     0    0    0.0000   13   15   17   18   18
  8 NU1      0    0    0.0000   13   15   19   21   34
  9 CHI      0    0    0.0000   21   19   22   23   34
 10 EPSI     0    0    0.0000   11   13   35   36    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   35    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0    0
 17 O2'  O_HYD    0    0.0000    9.1284    1.3667   -2.5196   15   18    0    0    0
 18 HO2' H_OXY    0    0.0000    9.6511    1.9350   -1.9491   17    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N1   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   33    0    0
 23 C2   C_ARO    0    0.0000    6.1389    4.0815   -4.2243   22   24   25    0    0
 24 O2   O_BYL    0    0.0000    6.0169    3.4341   -5.2700   23    0    0    0    0
 25 N3   N_AMI    0    0.0000    5.8946    5.4025   -4.1571   23   26    0    0    0
 26 C4   C_ARO    0    0.0000    6.0297    6.0775   -3.0332   25   27   31    0    0
 27 N4   N_AMI    0    0.0000    5.7838    7.3807   -2.9873   26   28   29    0    0
 28 H41  H_AMI    0    0.0000    5.4886    7.8687   -3.8210   27    0    0    0   30
 29 H42  H_AMI    0    0.0000    5.8918    7.8848   -2.1187   27    0    0    0   30
 30 Q4   PSEUD    0    0.0000    5.6902    7.8767   -2.9699    0    0    0    0    0
 31 C5   C_ARO    0    0.0000    6.4503    5.4099   -1.8227   26   32   33    0    0
 32 H5   H_ARO    0    0.0000    6.5586    5.9709   -0.9063   31    0    0    0    0
 33 C6   C_ARO    0    0.0000    6.6903    4.0931   -1.9056   22   31   34    0    0
 34 H6   H_ARO    0    0.0000    7.0071    3.5458   -1.0302   33    0    0    0    0
 35 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   36    0    0    0
 36 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   35    0    0    0    0

RESIDUE   GUA      9   39    3   38
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   38    0
  6 NU2      0    0    0.0000   11   13   15   19   37
  7 NU1      0    0    0.0000   13   15   19   21   37
  8 CHI      0    0    0.0000   21   19   22   23   37
  9 EPSI     0    0    0.0000   11   13   38   39    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   38    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0   18
 17 H2"  H_ALI    0    0.0000    8.8302    1.4994   -2.3943   15    0    0    0   18
 18 Q2'  PSEUD    0    0.0000    8.2281    1.7005   -1.7670    0    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N9   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   36    0    0
 23 C4   C_ARO    0    0.0000    6.1408    4.2384   -4.0868   22   24   34    0    0
 24 N3   N_AMI    0    0.0000    5.9075    3.8622   -5.3748   23   25    0    0    0
 25 C2   C_ARO    0    0.0000    5.5246    4.9339   -6.0935   24   26   30    0    0
 26 N2   N_AMI    0    0.0000    5.2439    4.7919   -7.3868   25   27   28    0    0
 27 H21  H_AMI    0    0.0000    4.9560    5.5919   -7.9319   26    0    0    0   29
 28 H22  H_AMI    0    0.0000    5.3188    3.8841   -7.8231   26    0    0    0   29
 29 Q2   PSEUD    0    0.0000    5.1374    4.7380   -7.8776    0    0    0    0    0
 30 N1   N_AMI    0    0.0000    5.3670    6.2160   -5.6946   25   31   32    0    0
 31 H1   H_AMI    0    0.0000    5.0704    6.9183   -6.3571   30    0    0    0    0
 32 C6   C_ARO    0    0.0000    5.6165    6.5266   -4.3932   30   33   34    0    0
 33 O6   O_BYL    0    0.0000    5.4656    7.6999   -4.0563   32    0    0    0    0
 34 C5   C_ARO    0    0.0000    6.0263    5.4782   -3.5425   23   32   35    0    0
 35 N7   N_AMI    0    0.0000    6.3472    5.4625   -2.2117   34   36    0    0    0
 36 C8   C_ARO    0    0.0000    6.6548    4.1920   -1.9724   22   35   37    0    0
 37 H8   H_ARO    0    0.0000    6.9627    3.7816   -1.0220   36    0    0    0    0
 38 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   39    0    0    0
 39 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   38    0    0    0    0

RESIDUE   RGUA    10   39    3   38
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   38    0
  6 NU2      0    0    0.0000   11   13   15   19   37
  7 HOXI     0    0    0.0000   13   15   17   18   18
  8 NU1      0    0    0.0000   13   15   19   21   37
  9 CHI      0    0    0.0000   21   19   22   23   37
 10 EPSI     0    0    0.0000   11   13   38   39    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   38    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0    0
 17 O2'  O_HYD    0    0.0000    9.1284    1.3667   -2.5196   15   18    0    0    0
 18 HO2' H_OXY    0    0.0000    9.6511    1.9350   -1.9491   17    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N9   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   36    0    0
 23 C4   C_ARO    0    0.0000    6.1408    4.2384   -4.0868   22   24   34    0    0
 24 N3   N_AMI    0    0.0000    5.9075    3.8622   -5.3748   23   25    0    0    0
 25 C2   C_ARO    0    0.0000    5.5246    4.9339   -6.0935   24   26   30    0    0
 26 N2   N_AMI    0    0.0000    5.2439    4.7919   -7.3868   25   27   28    0    0
 27 H21  H_AMI    0    0.0000    4.9560    5.5919   -7.9319   26    0    0    0   29
 28 H22  H_AMI    0    0.0000    5.3188    3.8841   -7.8231   26    0    0    0   29
 29 Q2   PSEUD    0    0.0000    5.1374    4.7380   -7.8776    0    0    0    0    0
 30 N1   N_AMI    0    0.0000    5.3670    6.2160   -5.6946   25   31   32    0    0
 31 H1   H_AMI    0    0.0000    5.0704    6.9183   -6.3571   30    0    0    0    0
 32 C6   C_ARO    0    0.0000    5.6165    6.5266   -4.3932   30   33   34    0    0
 33 O6   O_BYL    0    0.0000    5.4656    7.6999   -4.0563   32    0    0    0    0
 34 C5   C_ARO    0    0.0000    6.0263    5.4782   -3.5425   23   32   35    0    0
 35 N7   N_AMI    0    0.0000    6.3472    5.4625   -2.2117   34   36    0    0    0
 36 C8   C_ARO    0    0.0000    6.6548    4.1920   -1.9724   22   35   37    0    0
 37 H8   H_ARO    0    0.0000    6.9627    3.7816   -1.0220   36    0    0    0    0
 38 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   36   39    0    0    0
 39 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   38    0    0    0    0

RESIDUE   THY     10   38    3   37
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   37    0
  6 NU2      0    0    0.0000   11   13   15   19   36
  7 NU1      0    0    0.0000   13   15   19   21   36
  8 CHI      0    0    0.0000   21   19   22   23   36
  9 CHI2     0    0    0.0000   27   29   30   31   33
 10 EPSI     0    0    0.0000   11   13   37   38    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   37    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0   18
 17 H2"  H_ALI    0    0.0000    8.8302    1.4994   -2.3943   15    0    0    0   18
 18 Q2'  PSEUD    0    0.0000    8.2281    1.7005   -1.7670    0    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N1   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   35    0    0
 23 C2   C_ARO    0    0.0000    6.1503    4.0371   -4.2137   22   24   25    0    0
 24 O2   O_BYL    0    0.0000    6.0080    3.4642   -5.2825   23    0    0    0    0
 25 N3   N_AMI    0    0.0000    5.9057    5.3890   -4.1216   23   26   27    0    0
 26 H3   H_AMI    0    0.0000    5.6091    5.9053   -4.9374   25    0    0    0    0
 27 C4   C_ARO    0    0.0000    6.0411    6.1077   -2.9607   25   28   29    0    0
 28 O4   O_BYL    0    0.0000    5.7952    7.3124   -2.9953   27    0    0    0    0
 29 C5   C_ARO    0    0.0000    6.4568    5.4091   -1.7965   27   30   35    0    0
 30 C7   C_ALI    0    0.0000    6.6227    6.1491   -0.4907   29   31   32   33    0
 31 H71  H_ALI    0    0.0000    6.9449    5.4572    0.2874   30    0    0    0   34
 32 H72  H_ALI    0    0.0000    5.6739    6.5992   -0.1984   30    0    0    0   34
 33 H73  H_ALI    0    0.0000    7.3708    6.9338   -0.6034   30    0    0    0   34
 34 Q7   PSEUD    0    0.0000    6.6632    6.3301   -0.1714    0    0    0    0    0
 35 C6   C_ARO    0    0.0000    6.6884    4.0991   -1.9084   22   29   36    0    0
 36 H6   H_ARO    0    0.0000    7.0061    3.5313   -1.0464   35    0    0    0    0
 37 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   38    0    0    0
 38 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   37    0    0    0    0

RESIDUE   URA     10   34    3   33
  1 ZETA     0    0    0.0000    1    2    3    6    0
  2 ALPHA    0    0    0.0000    2    3    6    7    0
  3 BETA     0    0    0.0000    3    6    7   11    0
  4 GAMMA    0    0    0.0000    6    7   11   13    0
  5 DELTA    0    0    0.0000    7   11   13   33    0
  6 NU2      0    0    0.0000   11   13   15   19   32
  7 HOXI     0    0    0.0000   13   15   17   18   18
  8 NU1      0    0    0.0000   13   15   19   21   32
  9 CHI      0    0    0.0000   21   19   22   23   32
 10 EPSI     0    0    0.0000   11   13   33   34    0
  1 C3'  C_ALI    0    0.0000    0.0000    0.0000    0.0000    2    0    0    0    0
  2 O3'  O_EST    0    0.0000    1.2107    0.0000   -0.7536    1    3    0    0    0
  3 P    P_ALI    0    0.0000    2.6221    0.0000    0.0000    2    4    5    6    0
  4 OP1  O_BYL    0    0.0000    2.7865   -1.2650    0.7503    3    0    0    0    0
  5 OP2  O_BYL    0    0.0000    2.7865    1.2652    0.7502    3    0    0    0    0
  6 O5'  O_EST    0    0.0000    3.6737    0.0000   -1.2058    3    7    0    0    0
  7 C5'  C_ALI    0    0.0000    5.0731    0.0000   -0.9313    6    8    9   11    0
  8 H5'  H_ALI    0    0.0000    5.3587   -0.8818   -0.3558    7    0    0    0   10
  9 H5"  H_ALI    0    0.0000    5.3587    0.8817   -0.3557    7    0    0    0   10
 10 Q5'  PSEUD    0    0.0000    5.3587    0.0000   -0.3558    0    0    0    0    0
 11 C4'  C_ALI    0    0.0000    5.8563    0.0000   -2.2247    7   12   13   21    0
 12 H4'  H_ALI    0    0.0000    5.5995   -0.8933   -2.7959   11    0    0    0    0
 13 C3'  C_ALI    0    0.0000    7.3716   -0.0001   -2.0440   11   14   15   33    0
 14 H3'  H_ALI    0    0.0000    7.6528   -0.4687   -1.0997   13    0    0    0    0
 15 C2'  C_ALI    0    0.0000    7.7799    1.4452   -2.1153   13   16   17   19    0
 16 H2'  H_ALI    0    0.0000    7.6260    1.9015   -1.1396   15    0    0    0    0
 17 O2'  O_HYD    0    0.0000    9.1284    1.3667   -2.5196   15   18    0    0    0
 18 HO2' H_OXY    0    0.0000    9.6511    1.9350   -1.9491   17    0    0    0    0
 19 C1'  C_ALI    0    0.0000    6.8080    1.9633   -3.1714   15   20   21   22    0
 20 H1'  H_ALI    0    0.0000    7.1945    1.7317   -4.1639   19    0    0    0    0
 21 O4'  O_EST    0    0.0000    5.6424    1.2155   -2.9065   11   19    0    0    0
 22 N1   N_AMI    0    0.0000    6.5461    3.4144   -3.0700   19   23   31    0    0
 23 C2   C_ARO    0    0.0000    6.1503    4.0371   -4.2137   22   24   25    0    0
 24 O2   O_BYL    0    0.0000    6.0080    3.4642   -5.2825   23    0    0    0    0
 25 N3   N_AMI    0    0.0000    5.9057    5.3890   -4.1216   23   26   27    0    0
 26 H3   H_AMI    0    0.0000    5.6091    5.9053   -4.9374   25    0    0    0    0
 27 C4   C_ARO    0    0.0000    6.0411    6.1077   -2.9607   25   28   29    0    0
 28 O4   O_BYL    0    0.0000    5.7952    7.3124   -2.9953   27    0    0    0    0
 29 C5   C_ARO    0    0.0000    6.4568    5.4091   -1.7965   27   30   31    0    0
 30 H5   H_ARO    0    0.0000    6.5754    5.9383   -0.8626   29    0    0    0    0
 31 C6   C_ARO    0    0.0000    6.6884    4.0991   -1.9084   22   29   32    0    0
 32 H6   H_ARO    0    0.0000    7.0061    3.5313   -1.0464   31    0    0    0    0
 33 O3'  O_EST    0    0.0000    7.9748   -0.7718   -3.0942   13   34    0    0    0
 34 P    P_ALI    0    0.0000    9.5648   -0.9410   -3.1505   33    0    0    0    0

RESIDUE   PL       1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 C    DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 O    DUMMY    0    0.0000   -0.6967    0.0000   -1.0137    0    0    0    0    0
  3 N    DUMMY    0    0.0000    1.3249    0.0000    0.0000    0    0    0    0    0
  4 Q1   DUMMY    0    0.0000    1.7732    0.0000   -0.8939    0    0    0    0    0
  5 Q2   DUMMY    0    0.0000    2.6671    0.0000   -0.4457    0    0    0    0    0
  6 Q3   DUMMY    0    0.0000    3.1153    0.0000   -1.3396    0    0    0    0    0

RESIDUE   NL       1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 C3'  DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 O3'  DUMMY    0    0.0000    1.2107    0.0000   -0.7536    0    0    0    0    0
  3 P    DUMMY    0    0.0000    2.6221    0.0000    0.0000    0    0    0    0    0
  4 Q1   DUMMY    0    0.0000    3.0931    0.0000   -0.8822    0    0    0    0    0
  5 Q2   DUMMY    0    0.0000    3.9751    0.0000   -0.4111    0    0    0    0    0
  6 Q3   DUMMY    0    0.0000    4.4462    0.0000   -1.2932    0    0    0    0    0

RESIDUE   LL       1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    0.7071    0.0000   -0.7071    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    1.4142    0.0000    0.0000    0    0    0    0    0
  4 Q1   DUMMY    0    0.0000    2.1213    0.0000   -0.7071    0    0    0    0    0
  5 Q2   DUMMY    0    0.0000    1.4142    0.0000   -1.4142    0    0    0    0    0
  6 Q3   DUMMY    0    0.0000    2.1213    0.0000   -2.1213    0    0    0    0    0

RESIDUE   LL2      1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    1.4142    0.0000   -1.4142    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    2.8284    0.0000    0.0000    0    0    0    0    0
  4 Q1   DUMMY    0    0.0000    4.2426    0.0000   -1.4142    0    0    0    0    0
  5 Q2   DUMMY    0    0.0000    2.8284    0.0000   -2.8284    0    0    0    0    0
  6 Q3   DUMMY    0    0.0000    4.2426    0.0000   -4.2426    0    0    0    0    0

RESIDUE   LL5      1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    3.5355    0.0000   -3.5355    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    7.0711    0.0000    0.0000    0    0    0    0    0
  4 Q1   DUMMY    0    0.0000   10.6066    0.0000   -3.5355    0    0    0    0    0
  5 Q2   DUMMY    0    0.0000    7.0711    0.0000   -7.0711    0    0    0    0    0
  6 Q3   DUMMY    0    0.0000   10.6066    0.0000  -10.6066    0    0    0    0    0

RESIDUE   LP       1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    0.7071    0.0000   -0.7071    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    1.4142    0.0000    0.0000    0    0    0    0    0
  4 C    DUMMY    0    0.0000    2.1213    0.0000   -0.7071    0    0    0    0    0
  5 O    DUMMY    0    0.0000    1.2516    0.0000   -1.5768    0    0    0    0    0
  6 N    DUMMY    0    0.0000    3.4242    0.0000   -0.9486    0    0    0    0    0

RESIDUE   LN       1    6    3    5
  1 LB       0    0    0.0000    2    3    4    5    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    0.7071    0.0000   -0.7071    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    1.4142    0.0000    0.0000    0    0    0    0    0
  4 C3'  DUMMY    0    0.0000    2.1213    0.0000   -0.7071    0    0    0    0    0
  5 O3'  DUMMY    0    0.0000    1.1130    0.0000   -1.7154    0    0    0    0    0
  6 P    DUMMY    0    0.0000    1.5271    0.0000   -3.2609    0    0    0    0    0

RESIDUE   ION      1    7    3    6
  1 LB       0    0    0.0000    2    3    5    6    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    1.4142    0.0000   -1.4142    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    2.8284    0.0000    0.0000    0    0    0    0    0
  4 ME   METAL    0    0.0000    3.0000    0.0000    0.0000    0    0    0    0    0
  5 Q1   DUMMY    0    0.0000    4.2426    0.0000   -1.4142    0    0    0    0    0
  6 Q2   DUMMY    0    0.0000    2.8284    0.0000   -2.8284    0    0    0    0    0
  7 Q3   DUMMY    0    0.0000    4.2426    0.0000   -4.2426    0    0    0    0    0

RESIDUE   ORI      1   10    3    9
  1 LB       0    0    0.0000    2    3    4    8    0
  1 Q1   DUMMY    0    0.0000    0.0000    0.0000    0.0000    0    0    0    0    0
  2 Q2   DUMMY    0    0.0000    0.7071    0.0000   -0.7071    0    0    0    0    0
  3 Q3   DUMMY    0    0.0000    1.4142    0.0000    0.0000    0    0    0    0    0
  4 A0   DUMMY    0    0.0000    3.0000    1.0000    0.0000    0    0    0    0    0
  5 AX   DUMMY    0    0.0000    4.0000    1.0000    0.0000    0    0    0    0    0
  6 AY   DUMMY    0    0.0000    3.0000    2.0000    0.0000    0    0    0    0    0
  7 AZ   DUMMY    0    0.0000    3.0000    1.0000    1.0000    0    0    0    0    0
  8 Q1   DUMMY    0    0.0000    0.0000    5.0000    0.0000    0    0    0    0    0
  9 Q2   DUMMY    0    0.0000    0.7071    5.0000   -0.7071    0    0    0    0    0
 10 Q3   DUMMY    0    0.0000    1.4142    5.0000    0.0000    0    0    0    0    0


CSTABLE     242
  1 ALA  C       97  177.42    2.22  171.30  182.20
  2 ALA  N      144  123.04    3.67  113.70  133.90
  3 ALA  H      159    8.16    0.76    6.19   10.14
  4 ALA  CA     184   52.59    2.19   47.15   57.30
  5 ALA  HA     169    4.32    0.53    2.94    6.16
  6 ALA  QB     167    1.36    0.24   -0.02    1.77
  7 ALA  CB     182   18.78    1.96   14.50   24.20
  8 ARG  C       51  176.32    2.66  168.90  180.60
  9 ARG  N      116  121.64    4.19  110.80  136.77
 10 ARG  H      125    8.35    0.70    6.52    9.98
 11 ARG  CA     130   56.54    2.47   50.20   62.10
 12 ARG  HA     129    4.30    0.58    2.52    5.99
 13 ARG  CB     109   30.72    1.93   25.20   35.80
 14 ARG  QB     238    1.73    0.36   -0.38    2.51
 15 ARG  CG      95   26.96    1.54   17.50   32.53
 16 ARG  QG     218    1.50    0.44   -0.72    3.30
 17 ARG  CD     109   43.07    0.92   40.50   45.10
 18 ARG  QD     226    3.09    0.30    1.67    4.03
 19 ARG  NE      33   84.33    1.75   78.96   89.30
 20 ARG  HE      58    7.51    0.70    6.35   10.14
 21 ARG  CZ      13  159.14    0.68  157.10  160.00
 22 ARG  QH1     15    6.80    0.76    5.85    8.41
 23 ARG  NH2     13   71.72    1.30   70.00   74.30
 24 ARG  QH2     15    6.80    0.76    5.85    8.41
 25 ASN  C       48  174.92    2.05  170.30  180.20
 26 ASN  N      112  118.08    4.74  106.55  130.50
 27 ASN  H      121    8.26    0.84    3.61   12.51
 28 ASN  CA     127   53.17    1.96   48.40   58.30
 29 ASN  HA     131    4.62    0.50    2.60    6.25
 30 ASN  CB     120   38.13    1.78   33.00   42.80
 31 ASN  QB     254    2.73    0.44    0.10    3.67
 32 ASN  CG      16  176.37    1.31  174.35  178.70
 33 ASN  ND2     68  112.19    2.63  104.00  119.43
 34 ASN  QD2    158    7.15    0.53    5.76    8.98
 35 ASP  C       66  176.24    1.73  170.80  179.70
 36 ASP  N      122  120.84    3.75  111.26  130.75
 37 ASP  H      130    8.39    0.63    6.39   10.04
 38 ASP  CA     141   54.05    2.00   48.50   58.40
 39 ASP  HA     140    4.65    0.39    3.09    6.16
 40 ASP  CB     129   40.26    2.00   34.45   48.28
 41 ASP  QB     278    2.73    0.28    1.70    3.78
 42 ASP  CG      17  178.67    1.19  176.00  180.80
 43 CYS  C       27  174.23    2.21  170.50  180.00
 44 CYS  N       50  120.16    4.71  111.20  132.30
 45 CYS  H       65    8.44    0.69    6.21    9.98
 46 CYS  CA      60   56.23    3.38   49.92   65.00
 47 CYS  HA      68    4.76    0.68    1.70    6.26
 48 CYS  CB      49   37.09    6.33   25.14   50.93
 49 CYS  QB     130    2.88    0.48    1.35    3.94
 50 CYS  HG       1    1.60    0.00    1.60    1.60
 51 CYSS C       27  174.23    2.21  170.50  180.00
 52 CYSS N       50  120.16    4.71  111.20  132.30
 53 CYSS H       65    8.44    0.69    6.21    9.98
 54 CYSS CA      60   56.23    3.38   49.92   65.00
 55 CYSS HA      68    4.76    0.68    1.70    6.26
 56 CYSS CB      49   37.09    6.33   25.14   50.93
 57 CYSS QB     130    2.88    0.48    1.35    3.94
 58 GLN  C       50  175.89    1.87  172.10  179.50
 59 GLN  N      101  120.51    4.36  111.20  132.80
 60 GLN  H      105    8.28    0.71    6.21   10.04
 61 GLN  CA     114   55.60    2.30   51.10   61.00
 62 GLN  HA     120    4.42    0.51    3.15    5.83
 63 GLN  CB      99   29.31    2.15   24.62   35.80
 64 GLN  QB     236    2.05    0.29    0.56    2.73
 65 GLN  CG      96   33.46    1.11   30.10   36.60
 66 GLN  QG     212    2.30    0.32    0.22    2.97
 67 GLN  CD      18  179.21    1.52  176.00  182.90
 68 GLN  NE2     60  111.79    1.67  108.40  116.38
 69 GLN  QE2    136    7.11    0.44    5.08    8.14
 70 GLU  C      103  176.24    2.24  169.94  181.00
 71 GLU  N      175  121.56    3.93  111.20  132.80
 72 GLU  H      181    8.38    0.68    6.17   10.55
 73 GLU  CA     200   56.62    2.43   50.10   66.70
 74 GLU  HA     197    4.31    0.47    2.84    5.55
 75 GLU  CB     167   29.79    1.85   25.01   36.50
 76 GLU  QB     370    2.03    0.23    0.72    2.90
 77 GLU  CG     165   35.57    1.53   29.80   39.20
 78 GLU  QG     340    2.29    0.20    1.48    2.79
 79 GLU  CD      24  182.56    1.11  179.00  184.50
 80 GLY  C      102  173.02    1.93  167.80  177.50
 81 GLY  N      198  109.42    3.91   99.10  120.10
 82 GLY  H      215    8.36    0.77    4.45   10.74
 83 GLY  CA     235   44.83    1.43   40.10   48.80
 84 GLY  QA     446    3.92    0.50    1.62    5.52
 85 HIS  C       22  174.52    1.93  170.30  177.90
 86 HIS  N       52  120.03    9.65  106.70  179.20
 87 HIS  H       55    8.27    1.07    4.60   10.67
 88 HIS  CA      57   55.49    2.38   50.30   61.98
 89 HIS  HA      55    4.72    0.47    3.63    6.15
 90 HIS  CB      53   29.93    2.93   24.60   43.28
 91 HIS  QB     108    3.03    0.49    1.20    3.99
 92 HIS  CG      12  131.07    4.36  119.20  138.00
 93 HIS  ND1      8  202.56   27.34  177.30  247.70
 94 HIS  CD2     36  119.79    3.42  116.30  133.70
 95 HIS  HD1      3   10.76    1.80    8.22   12.21
 96 HIS  CE1     35  136.34    2.30  126.60  140.40
 97 HIS  NE2     10  173.52    5.05  163.10  183.80
 98 HIS  HD2     48    6.99    0.58    4.33    7.96
 99 HIS  HE1     41    8.12    0.53    6.49    8.80
100 ILE  C       76  175.30    1.89  171.50  180.20
101 ILE  N      135  122.46    5.03  108.20  135.60
102 ILE  H      139    8.40    0.71    6.76   10.13
103 ILE  CA     146   60.91    2.64   55.20   66.60
104 ILE  HA     145    4.36    0.56    3.13    5.70
105 ILE  CB     136   38.90    2.55   32.10   46.40
106 ILE  HB     141    1.75    0.31    0.44    2.53
107 ILE  QG2    143    0.81    0.27   -0.32    1.98
108 ILE  CG2    148   17.34    1.98   11.30   27.00
109 ILE  CG1    120   27.23    2.19   16.50   30.87
110 ILE  QG1    277    1.32    0.71   -0.47   11.20
111 ILE  QD1    143    0.71    0.28   -0.49    1.26
112 ILE  CD1    145   13.02    1.98    8.00   18.00
113 LEU  C       92  176.57    2.24  170.40  181.20
114 LEU  N      176  122.65    4.26  112.80  134.50
115 LEU  H      186    8.34    0.68    6.42   10.48
116 LEU  CA     211   54.75    2.20   49.60   59.50
117 LEU  HA     206    4.47    0.49    3.13    5.79
118 LEU  CB     174   42.29    2.15   35.73   48.60
119 LEU  QB     386    1.54    0.44   -1.40    2.43
120 LEU  CG     183   26.45    1.30   21.80   29.50
121 LEU  HG     192    1.57    0.31    0.36    2.38
122 LEU  CD1    398   24.18    1.77   18.40   28.70
123 LEU  CD2    398   24.18    1.77   18.40   28.70
124 LEU  QQD    389    0.72    0.32   -1.03    1.31
125 LYS  C      106  176.15    1.91  171.43  180.80
126 LYS  N      181  121.40    4.49  111.20  131.32
127 LYS  H      190    8.28    0.66    6.64   10.64
128 LYS  CA     219   56.39    2.11   50.90   62.92
129 LYS  HA     208    4.34    0.46    2.70    5.93
130 LYS  CB     175   32.76    1.93   27.50   38.31
131 LYS  QB     389    1.76    0.24    0.78    2.30
132 LYS  CG     159   24.48    0.91   20.90   26.44
133 LYS  QG     338    1.34    0.29    0.14    3.02
134 LYS  CD     158   28.61    1.03   25.40   33.50
135 LYS  QD     322    1.63    0.27    0.46    3.03
136 LYS  CE     162   41.49    0.77   38.70   44.10
137 LYS  QE     317    2.91    0.22    1.31    3.23
138 LYS  NZ       7   32.76    1.35   31.30   35.00
139 LYS  QZ       2    7.49    0.05    7.45    7.54
140 MET  C       20  175.59    2.21  171.30  178.60
141 MET  N       38  119.62    4.54  106.80  129.20
142 MET  H       39    8.39    0.62    7.11    9.57
143 MET  CA      50   55.11    1.92   51.58   59.70
144 MET  HA      49    4.55    0.52    3.72    5.95
145 MET  CB      39   32.46    2.42   26.70   38.00
146 MET  QB      94    1.98    0.25    1.20    2.57
147 MET  CG      38   31.52    1.30   27.40   34.32
148 MET  QG      83    2.37    0.43    0.87    2.96
149 MET  QE      34    1.87    0.36    0.70    2.30
150 MET  CE      36   16.51    1.44   13.00   19.20
151 PHE  C       43  175.08    2.41  169.80  179.10
152 PHE  N       86  120.23    4.01  111.90  128.20
153 PHE  H       92    8.53    0.74    6.41    9.93
154 PHE  CA     108   57.20    2.24   52.89   63.90
155 PHE  HA     103    4.83    0.69    2.50    5.96
156 PHE  CB      99   39.93    2.13   34.50   43.70
157 PHE  QB     202    2.96    0.41    1.40    3.92
158 PHE  QD     168    7.07    0.36    5.52    7.80
159 PHE  QE     160    7.05    0.37    5.56    7.51
160 PHE  CG      12  137.04    1.70  133.30  140.20
161 PHE  CD1    116  131.50    1.15  128.50  134.22
162 PHE  CE1    108  130.47    1.15  125.70  133.20
163 PHE  CZ      54  128.89    1.82  118.70  132.50
164 PHE  HZ      68    7.02    0.34    6.19    7.63
165 PHE  CE2    108  130.47    1.15  125.70  133.20
166 PHE  CD2    116  131.50    1.15  128.50  134.22
167 PRO  C       46  175.91    1.79  172.10  180.60
168 PRO  N       26  134.49    7.01  106.00  142.10
169 PRO  CD     103   50.06    1.02   46.50   52.60
170 PRO  CA     117   62.85    1.37   59.50   66.30
171 PRO  HA     116    4.47    0.44    2.27    5.37
172 PRO  CB      95   31.74    1.54   25.90   36.50
173 PRO  QB     214    2.01    0.44   -0.15    2.91
174 PRO  CG      85   26.77    0.91   24.10   28.60
175 PRO  QG     197    1.89    0.39   -0.29    2.55
176 PRO  QD     206    3.69    0.38    1.67    4.61
177 SER  C       63  173.88    1.83  169.90  179.30
178 SER  N      137  116.63    4.68  102.80  134.90
179 SER  H      148    8.36    0.64    6.37   10.52
180 SER  CA     169   57.74    1.92   53.00   62.90
181 SER  HA     168    4.65    0.41    3.57    5.90
182 SER  CB     159   63.93    1.75   58.30   70.00
183 SER  QB     325    3.85    0.33    2.06    5.03
184 SER  HG       4    4.59    0.68    3.43    5.10
185 THR  C       83  174.37    1.67  170.50  178.20
186 THR  N      140  114.66    5.74  102.50  130.20
187 THR  H      155    8.26    0.67    6.81   10.63
188 THR  CA     170   61.77    2.59   56.80   69.10
189 THR  HA     166    4.46    0.51    2.74    5.72
190 THR  CB     164   69.41    1.97   64.70   75.70
191 THR  HB     161    4.18    0.36    2.31    5.12
192 THR  QG2    162    1.11    0.24   -0.19    1.65
193 THR  HG1     10    5.69    1.23    3.07    7.76
194 THR  CG2    167   21.27    1.46   17.50   25.70
195 TRP  C       14  176.07    2.62  172.00  180.20
196 TRP  N       29  121.24    3.25  112.80  128.50
197 TRP  H       30    8.30    0.84    5.73    9.99
198 TRP  CA      33   57.39    2.54   52.58   63.30
199 TRP  HA      32    4.70    0.61    2.87    5.62
200 TRP  CB      30   29.27    2.15   23.70   33.60
201 TRP  QB      62    3.07    0.56    0.67    3.89
202 TRP  CG       8  110.81    1.25  107.90  112.10
203 TRP  CD1     28  126.15    2.50  120.80  129.60
204 TRP  CD2      5  128.51    0.48  127.65  129.10
205 TRP  CE3     26  119.95    1.18  117.63  121.93
206 TRP  CE2      8  138.62    0.93  136.50  139.90
207 TRP  NE1     23  129.32    1.42  126.26  132.07
208 TRP  HD1     29    7.03    0.36    5.93    7.43
209 TRP  HE3     26    7.39    0.38    6.66    7.95
210 TRP  CZ3     26  121.30    1.38  117.10  123.66
211 TRP  CZ2     28  113.86    1.33  109.70  115.62
212 TRP  HE1     25   10.20    0.58    9.07   11.67
213 TRP  HZ3     28    6.91    0.60    4.92    7.68
214 TRP  CH2     27  123.87    1.07  121.55  125.98
215 TRP  HZ2     22    7.17    0.38    6.29    7.57
216 TRP  HH2     29    6.95    0.42    5.68    7.36
217 TYR  C       41  175.16    1.82  170.20  178.50
218 TYR  N       72  121.40    4.29  113.30  130.60
219 TYR  H       86    8.44    0.92    6.36   10.55
220 TYR  CA      93   57.07    2.39   50.80   62.17
221 TYR  HA      91    4.80    0.57    3.79    6.70
222 TYR  CB      80   38.75    2.30   33.50   45.00
223 TYR  QB     176    2.96    0.36    1.62    4.10
224 TYR  QD     170    7.01    0.26    6.28    7.77
225 TYR  QE     162    6.72    0.22    6.04    7.31
226 TYR  CG      27  129.40    1.56  125.70  132.50
227 TYR  CD1    125  132.32    1.25  129.70  137.70
228 TYR  CE1    122  117.33    1.11  114.30  119.80
229 TYR  CZ      28  156.22    1.69  150.20  158.70
230 TYR  CE2    122  117.33    1.11  114.30  119.80
231 TYR  CD2    125  132.32    1.25  129.70  137.70
232 TYR  HH       2   11.22    1.82    9.40   13.03
233 VAL  C       92  174.82    1.99  169.90  180.60
234 VAL  N      160  121.10    5.88  103.60  136.70
235 VAL  H      173    8.39    0.74    6.68   10.15
236 VAL  CA     196   61.33    2.75   52.00   69.90
237 VAL  HA     188    4.33    0.56    3.02    5.93
238 VAL  CB     182   32.90    2.12   29.02   41.90
239 VAL  HB     186    1.96    0.34    0.78    2.84
240 VAL  CG1    376   20.70    1.65   15.30   26.20
241 VAL  CG2    376   20.70    1.65   15.30   26.20
242 VAL  QQG    369    0.81    0.26   -0.27    1.54