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 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 next lines contain dihedral angle declarations in the format (5X,A5,20X,5I5):
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 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 0.0000
2 H_ALI 1.00 0 1 1.0080
3 H_AMI 0.95 1 1 1.0080
4 H_ARO 1.00 0 1 1.0080
5 H_SUL 1.00 1 1 1.0080
6 H_OXY 1.00 1 1 1.0080
7 C_ALI 1.60 0 6 12.0100
8 C_BYL 1.50 0 6 12.0100
9 C_ARO 1.60 0 6 12.0100
10 C_VIN 1.60 0 6 12.0100
11 N_AMI 1.45 0 7 14.0100
12 N_AMO 1.50 -1 7 14.0100
13 O_BYL 1.30 -1 8 16.0000
14 O_HYD 1.30 -1 8 16.0000
15 O_EST 1.30 -1 8 16.0000
16 S_OXY 1.80 0 16 32.0600
17 S_RED 1.80 0 16 32.0600
18 P_ALI 1.80 0 15 30.9700
19 METAL 1.80 0 50 60.0000
20 DUMMY -10.00 0 999 1.0000
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 0.9385 -0.1668 -2.7179 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 0.2261 -2.1671 8 0 0 0 7
10 HB2 H_ALI 0 0.0000 1.5440 0.4465 -3.2601 8 0 0 0 7
11 HB3 H_ALI 0 0.0000 1.0940 -1.1731 -2.7265 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 3.9446 0.1485 -0.6517 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 4.2428 -1.6998 -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 4.5686 -2.7059 0.0329 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 1.8861 -1.9472 1.6407 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 0.4256 -4.4174 0.3191 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 1.7582 -1.8809 -1.6543 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 0.7059 -0.4045 -2.5552 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 2.8991 1.7165 -1.7036 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 CYSD 6 16 3 15 CYS
1 OMEGA 0 0 0.0000 -O -C N H
2 PHI 0 0 0.0000 -C N CA C
3 CHI1 0 0 0.0000 N CA CB SG DCB
4 CHI2 0 0 0.0000 CA CB SG DSG DCB
5 CHI3 0 0 0.0000 CB SG DSG DCB DCB
6 PSI 0 0 0.0000 N CA C +N
1 C C_BYL 0 0.0000 0.0000 0.0000 0.0000 -O N
2 O O_BYL 0 0.0000 -0.6698 0.0000 -1.0333 -C
3 N N_AMI 0 0.0000 1.3288 0.0000 0.0000 -C H CA
4 H H_AMI 0 0.0000 1.8073 0.0005 0.8563 N
5 CA C_ALI 0 0.0000 2.0940 -0.0003 -1.2409 N HA CB C
6 HA H_ALI 0 0.0000 3.1017 0.3095 -1.0096 CA
7 CB C_ALI 0 0.0000 2.1310 -1.4070 -1.8414 CA HB2 HB3 SG
8 HB2 H_ALI 0 0.0000 2.8023 -1.4111 -2.6879 CB - - - QB
9 HB3 H_ALI 0 0.0000 2.4954 -2.0987 -1.0964 CB - - - QB
10 QB PSEUD 0 0.0000 2.6488 -1.7549 -1.8921
11 SG S_OXY 0 0.0000 0.5122 -2.0125 -2.4171 CB
12 DSG DUMMY 0 0.0000 -0.8310 -1.0833 -1.2065
13 DCB DUMMY 0 0.0000 0.1912 -0.0685 -0.0972
14 C C_BYL 0 0.0000 1.4977 0.9790 -2.2479 CA O +N
15 O O_BYL 0 0.0000 2.2054 1.5144 -3.1012 C
16 N N_AMI 0 0.0000 0.1934 1.2075 -2.1412 C
RESIDUE CYSS 4 14 3 13 CYS
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 2.6488 -1.7549 -1.8921 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 2.6326 -1.8716 -1.2721 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 4.7368 -0.7761 -1.5068 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 4.6814 -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 0.9678 1.2725 -2.1975 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 2.6128 1.5438 -3.7527 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 2.5770 -0.3562 -1.3528 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 0.6071 -0.6002 -2.3563 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 0.5849 -1.2782 -3.2488 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 0.2175 -2.1611 -2.8990 10 0 0 0 9
12 HG22 H_ALI 0 0.0000 0.2630 -0.3987 -2.8491 10 0 0 0 9
13 HG23 H_ALI 0 0.0000 1.2742 -1.2747 -3.9982 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 3.7948 -1.9375 -2.3408 0 0 0 0 0
18 QD1 PSEUD 0 0.0000 3.3028 -1.4351 -4.4963 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 4.1590 -1.9804 -4.5754 19 0 0 0 18
21 HD12 H_ALI 0 0.0000 2.3975 -1.8953 -4.5691 19 0 0 0 18
22 HD13 H_ALI 0 0.0000 3.3519 -0.4294 -4.3443 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 1.0720 0.0501 -2.8834 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 -1.2831 -1.6771 -2.6311 0 0 0 0 23
14 QD2 PSEUD 0 0.0000 1.3638 -2.8292 -3.7421 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 -1.3449 -1.0012 -1.8721 15 0 0 0 13
17 HD12 H_ALI 0 0.0000 -1.1534 -1.3567 -3.5889 15 0 0 0 13
18 HD13 H_ALI 0 0.0000 -1.3508 -2.6734 -2.4323 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 -2.4366 -3.5224 19 0 0 0 14
21 HD22 H_ALI 0 0.0000 1.0403 -3.6662 -3.2609 19 0 0 0 14
22 HD23 H_ALI 0 0.0000 0.7738 -2.3849 -4.4430 19 0 0 0 14
23 QQD PSEUD 0 0.0000 0.0404 -2.2532 -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 2.0312 -1.6202 -2.3257 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 -0.0551 -0.6686 -2.9219 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 -1.2227 -2.1381 -1.7018 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 -4.0194 -1.6120 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 2.2273 -3.8897 -1.9669 23 0 0 0 27
25 HZ2 H_AMI 0 0.0000 1.8736 -2.2360 -2.0210 23 0 0 0 27
26 HZ3 H_AMI 0 0.0000 1.9311 -3.0406 -0.5337 23 0 0 0 27
27 QZ PSEUD 0 0.0000 2.0107 -3.0554 -1.5072 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 1.4253 -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 1.5724 -0.3501 -4.0389 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 -1.2081 -0.1794 -1.6599 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 -0.8886 -1.9332 17 0 0 0 16
19 HE2 H_ALI 0 0.0000 -0.2630 -0.4525 -1.3976 17 0 0 0 16
20 HE3 H_ALI 0 0.0000 -1.4757 0.8030 -1.6490 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 1.7989 -1.4758 0 0 0 0 0
11 QD PSEUD 0 0.0000 1.3082 1.9602 -2.8849 0 0 0 0 13
12 QE PSEUD 0 0.0000 -0.2428 2.7358 -4.6303 0 0 0 0 13
13 QR PSEUD 0 0.0000 0.5327 2.3480 -3.7576 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 0
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 14 0
2 PSI 0 0 0.0000 3 4 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 14 0 0
4 CA C_ALI 0 0.0000 2.1329 -0.0010 -1.2338 3 5 6 18 0
5 HA H_ALI 0 0.0000 1.8441 0.8061 -1.8911 4 0 0 0 0
6 CB C_ALI 0 0.0000 3.5628 0.2285 -0.7380 4 7 8 10 0
7 HB2 H_ALI 0 0.0000 4.2546 -0.3236 -1.3586 6 0 0 0 9
8 HB3 H_ALI 0 0.0000 3.7967 1.2817 -0.7775 6 0 0 0 9
9 QB PSEUD 0 0.0000 4.0256 0.4791 -1.0680 0 0 0 0 0
10 CG C_ALI 0 0.0000 3.5636 -0.2772 0.6633 6 14 11 12 0
11 HG2 H_ALI 0 0.0000 3.7625 -1.3380 0.6708 10 0 0 0 13
12 HG3 H_ALI 0 0.0000 4.3073 0.2496 1.2428 10 0 0 0 13
13 QG PSEUD 0 0.0000 4.0349 -0.5442 0.9568 0 0 0 0 0
14 CD C_ALI 0 0.0000 2.1884 0.0004 1.2045 10 3 15 16 0
15 HD2 H_ALI 0 0.0000 1.8873 -0.7796 1.8880 14 0 0 0 17
16 HD3 H_ALI 0 0.0000 2.1624 0.9634 1.6929 14 0 0 0 17
17 QD PSEUD 0 0.0000 2.0248 0.0919 1.7904 0 0 0 0 0
18 C C_BYL 0 0.0000 2.0353 -1.3249 -1.9841 4 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 3.8939 0.7438 -1.4175 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 4.9122 0.1566 -1.3127 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 4.3454 1.0012 -1.3599 12 0 0 0 9
14 HG22 H_ALI 0 0.0000 5.2462 -0.1828 -0.4127 12 0 0 0 9
15 HG23 H_ALI 0 0.0000 5.1452 -0.3485 -2.1656 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 1.1038 -1.4146 -2.1549 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 -1.0837 -1.2535 0 0 0 0 0
11 QD PSEUD 0 0.0000 2.3706 -2.6774 -1.2427 0 0 0 0 13
12 QE PSEUD 0 0.0000 1.3129 -4.8979 -1.2330 0 0 0 0 13
13 QR PSEUD 0 0.0000 1.8417 -3.7877 -1.2379 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 0.7695 2.4736 -1.4940 0 0 0 0 19
10 QG2 PSEUD 0 0.0000 2.6942 1.3446 -3.6427 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 -0.1270 2.0109 -1.3565 11 0 0 0 9
13 HG12 H_ALI 0 0.0000 1.4878 2.4160 -0.7745 11 0 0 0 9
14 HG13 H_ALI 0 0.0000 0.9478 2.9939 -2.3509 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 1.9551 1.2981 -4.3415 15 0 0 0 10
17 HG22 H_ALI 0 0.0000 2.8969 2.2255 -3.1739 15 0 0 0 10
18 HG23 H_ALI 0 0.0000 3.2307 0.5103 -3.4127 15 0 0 0 10
19 QQG PSEUD 0 0.0000 1.7319 1.9091 -2.5683 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 DA 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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_AMO 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 8.2966 -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_AMO 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 A 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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_AMO 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 8.2966 -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_AMO 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 DC 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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 C 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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 DG 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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 -7.8775 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_AMO 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 G 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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_AMO 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 -7.8775 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_AMO 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 DT 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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 6.9419 5.4589 0.2762 30 0 0 0 34
32 H72 H_ALI 0 0.0000 7.3648 6.9249 -0.6083 30 0 0 0 34
33 H73 H_ALI 0 0.0000 5.6801 6.5928 -0.2060 30 0 0 0 34
34 Q7 PSEUD 0 0.0000 6.6623 6.3255 -0.1794 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 U 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 0.8817 -0.3557 7 0 0 0 10
9 H5' H_ALI 0 0.0000 5.3587 -0.8818 -0.3558 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 ML 1 6 4 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 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 LLL 1 6 3 3
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 LM 1 6 3 3
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 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 410
1 ALA N 21679 123.24 3.56 77.10 142.81
2 ALA H 23992 8.20 0.60 3.53 11.48
3 ALA CA 19703 53.16 1.97 44.22 65.52
4 ALA HA 18269 4.26 0.44 1.24 6.51
5 ALA QB 17243 1.36 0.25 -0.83 3.12
6 ALA CB 18409 18.99 1.81 9.79 28.40
7 ALA C 14308 177.77 2.15 164.48 187.20
8 ARG N 14311 120.81 3.71 102.94 137.60
9 ARG H 16408 8.24 0.61 3.64 12.69
10 ARG CA 13154 56.78 2.31 43.27 67.98
11 ARG HA 12795 4.30 0.46 1.34 6.10
12 ARG CB 11958 30.68 1.83 20.95 42.50
13 ARG QB 22110 1.79 0.27 -0.74 3.29
14 ARG CG 7486 27.23 1.19 18.22 37.83
15 ARG QG 19361 1.56 0.27 -0.67 3.51
16 ARG CD 7620 43.17 0.86 35.05 49.06
17 ARG QD 18693 3.12 0.24 0.89 4.69
18 ARG NE 1615 84.67 1.63 75.15 99.81
19 ARG HE 3363 7.38 0.62 2.99 11.88
20 ARG CZ 179 160.09 3.29 156.20 177.70
21 ARG NH1 53 73.64 4.11 67.60 87.07
22 ARG QH1 598 6.87 0.43 5.88 10.73
23 ARG NH2 49 73.43 3.49 70.10 85.28
24 ARG QH2 558 6.79 0.45 5.90 11.35
25 ARG C 9296 176.44 2.04 167.44 184.51
26 ASN N 11763 118.96 4.03 101.71 137.49
27 ASN H 13403 8.35 0.63 2.61 12.40
28 ASN CA 10937 53.55 1.89 41.31 61.80
29 ASN HA 10514 4.67 0.37 1.75 6.43
30 ASN CB 10146 38.69 1.68 28.64 55.09
31 ASN QB 19049 2.79 0.32 -0.07 4.47
32 ASN CG 761 176.77 1.38 166.40 181.20
33 ASN ND2 5570 112.79 2.26 99.40 133.86
34 ASN QD2 14093 7.25 0.49 3.08 10.80
35 ASN C 7760 175.31 1.81 167.04 181.90
36 ASP N 17319 120.68 3.90 101.90 143.52
37 ASP H 18944 8.31 0.58 4.06 12.61
38 ASP CA 15802 54.68 2.04 44.81 62.49
39 ASP HA 14458 4.60 0.31 2.33 6.33
40 ASP CB 14682 40.87 1.63 27.48 51.09
41 ASP QB 26046 2.70 0.27 -0.39 4.58
42 ASP CG 261 179.27 1.83 170.72 183.94
43 ASP C 11443 176.44 1.76 166.80 182.70
44 CYS N 5002 120.15 4.62 100.48 135.89
45 CYS H 7484 8.40 0.66 4.73 12.12
46 CYS CA 4290 58.16 3.37 42.45 67.64
47 CYS HA 6581 4.67 0.56 1.64 6.43
48 CYS CB 3908 32.91 6.28 17.99 62.07
49 CYS QB 12398 2.93 0.46 -0.83 4.69
50 CYS HG 54 1.91 1.45 0.25 7.39
51 CYS C 3017 174.86 2.06 166.73 182.73
52 CYSS N 5002 120.15 4.62 100.48 135.89
53 CYSS H 7484 8.40 0.66 4.73 12.12
54 CYSS CA 4290 58.16 3.37 42.45 67.64
55 CYSS HA 6581 4.67 0.56 1.64 6.43
56 CYSS CB 3908 32.91 6.28 17.99 62.07
57 CYSS QB 12398 2.93 0.46 -0.83 4.69
58 CYSS C 3017 174.86 2.06 166.73 182.73
52 CYSD N 5002 120.15 4.62 100.48 135.89
53 CYSD H 7484 8.40 0.66 4.73 12.12
54 CYSD CA 4290 58.16 3.37 42.45 67.64
55 CYSD HA 6581 4.67 0.56 1.64 6.43
56 CYSD CB 3908 32.91 6.28 17.99 62.07
57 CYSD QB 12398 2.93 0.46 -0.83 4.69
58 CYSD C 3017 174.86 2.06 166.73 182.73
59 GLN N 12160 119.87 3.63 104.10 139.55
60 GLN H 13319 8.22 0.59 5.18 12.04
61 GLN CA 11276 56.60 2.14 47.87 66.60
62 GLN HA 10382 4.26 0.43 1.60 6.23
63 GLN CB 10384 29.17 1.83 20.27 42.20
64 GLN QB 18062 2.04 0.26 -0.52 4.04
65 GLN CG 6964 33.78 1.12 21.64 41.95
66 GLN QG 16576 2.31 0.28 -1.08 3.66
67 GLN CD 722 179.67 1.37 171.70 183.54
68 GLN NE2 5405 111.87 1.79 92.49 124.30
69 GLN QE2 12705 7.13 0.45 3.59 11.11
70 GLN C 8091 176.36 1.96 168.09 182.22
71 GLU N 23315 120.69 3.50 104.54 138.60
72 GLU H 25070 8.34 0.60 4.24 12.17
73 GLU CA 21351 57.35 2.09 44.35 64.60
74 GLU HA 19326 4.25 0.41 1.77 6.29
75 GLU CB 19704 30.01 1.73 18.71 42.33
76 GLU QB 33544 2.02 0.21 0.34 3.44
77 GLU CG 13047 36.10 1.22 25.50 50.28
78 GLU QG 30738 2.27 0.21 0.45 3.83
79 GLU CD 285 182.58 1.97 173.41 189.46
80 GLU C 15659 176.93 1.97 166.80 183.52
81 GLY N 21077 109.67 3.85 94.07 162.19
82 GLY H 23870 8.33 0.66 3.01 12.22
83 GLY CA 19613 45.35 1.28 35.78 58.67
84 GLY QA 35400 3.94 0.38 0.86 6.43
85 GLY C 13923 173.92 1.87 163.27 183.16
86 HIS N 6491 119.62 4.02 105.00 136.48
87 HIS H 7180 8.24 0.69 5.24 12.39
88 HIS CA 6056 56.49 2.33 46.01 66.98
89 HIS HA 5556 4.61 0.44 1.93 8.90
90 HIS CB 5614 30.22 2.10 18.75 43.30
91 HIS QB 10044 3.08 0.38 0.18 8.70
92 HIS CG 78 131.48 3.31 122.67 137.19
93 HIS ND1 127 195.73 18.04 164.64 229.14
94 HIS CD2 1972 120.46 3.45 112.07 159.95
95 HIS HD1 265 8.78 2.70 3.79 17.20
96 HIS CE1 1530 137.57 2.39 104.67 144.54
97 HIS NE2 146 182.19 14.39 161.70 226.29
98 HIS HD2 3579 7.03 0.44 3.46 9.01
99 HIS HE1 2960 7.97 0.51 3.21 10.26
100 HIS C 4297 175.28 1.98 166.90 182.80
101 ILE N 15552 121.49 4.34 99.00 138.12
102 ILE H 17061 8.28 0.69 3.43 11.69
103 ILE CA 14359 61.63 2.70 51.15 71.70
104 ILE HA 13155 4.18 0.56 1.32 6.36
105 ILE CB 13240 38.63 2.03 20.94 51.88
106 ILE HB 12273 1.79 0.29 -1.28 3.87
107 ILE QG2 11613 0.78 0.27 -1.14 1.87
108 ILE CG2 9314 17.54 1.40 3.45 29.80
109 ILE CG1 8674 27.74 1.75 12.90 39.05
110 ILE QG1 21454 1.24 0.40 -2.38 2.99
111 ILE QD1 11655 0.68 0.29 -1.08 2.82
112 ILE CD1 9372 13.47 1.68 2.70 29.60
113 ILE C 10549 175.89 1.95 167.00 183.40
114 LEU N 25415 121.86 3.95 40.20 144.55
115 LEU H 27908 8.22 0.65 3.01 13.22
116 LEU CA 23341 55.66 2.14 46.36 65.83
117 LEU HA 21401 4.32 0.47 1.93 6.24
118 LEU CB 21632 42.30 1.88 26.40 53.70
119 LEU QB 37742 1.58 0.35 -1.29 3.18
120 LEU CG 13488 26.80 1.14 15.57 39.56
121 LEU HG 17160 1.51 0.33 -1.06 3.90
122 LEU CD1 14930 24.69 1.61 10.95 31.83
123 LEU CD2 14119 24.10 1.69 11.71 30.40
124 LEU QQD 37332 0.75 0.28 -1.73 2.78
125 LEU C 17014 177.01 2.00 167.49 189.78
126 LYS N 21616 121.08 3.80 101.10 140.30
127 LYS H 24404 8.19 0.61 5.09 12.03
128 LYS CA 19525 56.96 2.20 46.60 63.38
129 LYS HA 18848 4.26 0.44 1.30 6.17
130 LYS CB 18031 32.78 1.78 21.19 46.60
131 LYS QB 32472 1.77 0.26 -0.97 4.05
132 LYS CG 11457 24.93 1.14 18.20 36.22
133 LYS QG 28622 1.37 0.27 -1.16 2.99
134 LYS CD 10865 28.96 1.15 21.20 42.26
135 LYS QD 24692 1.61 0.23 -1.68 8.50
136 LYS CE 10484 41.91 0.81 30.48 52.20
137 LYS QE 24241 2.92 0.19 1.24 4.55
138 LYS NZ 13 33.96 3.04 31.00 43.69
139 LYS QZ 665 7.42 0.64 2.41 9.90
140 LYS C 14049 176.68 1.97 167.21 185.00
141 MET N 6153 120.11 3.57 87.60 135.66
142 MET H 6682 8.26 0.60 4.87 12.46
143 MET CA 5905 56.13 2.25 45.50 66.56
144 MET HA 5334 4.41 0.48 1.13 6.35
145 MET CB 5345 32.99 2.23 20.98 46.46
146 MET QB 9182 2.02 0.34 -1.05 3.87
147 MET CG 3296 32.04 1.26 20.46 38.58
148 MET QG 8366 2.42 0.37 -0.36 4.40
149 MET QE 2864 1.88 0.47 -0.21 17.06
150 MET CE 2326 17.17 1.93 0.00 40.77
151 MET C 4177 176.21 2.09 167.40 183.16
152 PHE N 10889 120.49 4.14 102.20 139.02
153 PHE H 12093 8.36 0.72 4.81 12.18
154 PHE CA 9953 58.13 2.56 47.31 69.82
155 PHE HA 9229 4.62 0.57 1.78 6.57
156 PHE CB 9220 39.94 2.10 25.52 48.53
157 PHE QB 16823 2.98 0.38 0.17 4.46
158 PHE QD 12864 7.06 0.30 4.72 8.15
159 PHE QE 11370 7.09 0.32 4.10 8.80
160 PHE CG 106 138.37 2.34 128.30 152.84
161 PHE CD1 3559 131.56 1.20 118.50 138.70
162 PHE CE1 3041 130.67 1.42 114.75 135.60
163 PHE CZ 2264 129.23 1.54 116.46 138.60
164 PHE HZ 4476 7.00 0.42 4.53 9.50
165 PHE CE2 1933 130.77 1.19 118.00 139.70
166 PHE CD2 2237 131.62 1.13 118.50 138.70
167 PHE C 7223 175.47 1.99 166.85 183.77
168 PRO N 268 134.01 6.59 111.56 145.26
169 PRO CA 10935 63.33 1.55 50.12 70.67
170 PRO HA 10331 4.40 0.33 1.63 6.05
171 PRO CB 10092 31.85 1.18 24.69 43.70
172 PRO QB 18774 2.04 0.35 -1.07 4.02
173 PRO CG 6815 27.21 1.08 18.28 33.90
174 PRO QG 16484 1.92 0.32 -0.90 4.42
175 PRO CD 6862 50.35 0.98 40.05 58.30
176 PRO QD 17320 3.64 0.37 -0.26 5.36
177 PRO C 7601 176.73 1.53 168.43 182.30
178 SER N 18113 116.29 3.58 100.85 133.68
179 SER H 20372 8.28 0.59 3.76 13.13
180 SER CA 17035 58.75 2.10 45.13 68.40
181 SER HA 16045 4.48 0.41 1.66 6.44
182 SER CB 15521 63.80 1.49 52.61 73.90
183 SER QB 27739 3.87 0.27 1.51 5.41
184 SER HG 237 5.32 1.03 0.00 8.97
185 SER C 12056 174.69 1.75 164.47 184.88
186 THR N 16232 115.45 4.75 95.77 138.27
187 THR H 18197 8.24 0.62 5.54 11.73
188 THR CA 14780 62.23 2.62 51.61 72.80
189 THR HA 14031 4.46 0.48 0.87 6.36
190 THR CB 13496 69.70 1.69 33.00 80.22
191 THR HB 12758 4.17 0.33 0.92 8.35
192 THR QG2 12658 1.14 0.23 -1.19 4.07
193 THR HG1 409 4.98 1.57 0.32 8.21
194 THR CG2 9119 21.56 1.11 11.70 36.73
195 THR C 10495 174.58 1.77 165.50 184.43
196 TRP N 3268 121.64 4.16 106.44 138.11
197 TRP H 3855 8.30 0.79 4.49 11.67
198 TRP CA 2972 57.66 2.56 44.69 69.76
199 TRP HA 2930 4.68 0.52 2.28 6.52
200 TRP CB 2743 29.99 2.02 21.10 43.02
201 TRP QB 5344 3.16 0.36 0.42 4.54
202 TRP CG 103 110.65 1.88 105.30 116.53
203 TRP CD1 1238 126.47 1.93 108.45 132.35
204 TRP CD2 79 127.48 1.40 120.20 130.10
205 TRP CE3 1056 120.51 1.72 111.86 137.60
206 TRP CE2 70 138.63 6.80 118.50 177.71
207 TRP NE1 1861 129.34 2.05 107.64 139.20
208 TRP HD1 2432 7.15 0.35 4.90 10.75
209 TRP HE3 2180 7.32 0.40 4.89 8.79
210 TRP CZ3 1057 121.41 1.57 113.32 138.39
211 TRP CZ2 1171 114.23 1.53 81.81 129.97
212 TRP HE1 2601 10.10 0.56 5.52 12.92
213 TRP HZ3 2096 6.87 0.40 3.88 8.90
214 TRP CH2 1094 123.81 1.82 91.62 131.54
215 TRP HZ2 2298 7.29 0.32 4.90 8.27
216 TRP HH2 2128 6.99 0.39 4.53 10.90
217 TRP C 2101 176.15 2.02 168.17 181.89
218 TYR N 8784 120.62 4.26 100.09 144.96
219 TYR H 10196 8.32 0.74 4.16 11.98
220 TYR CA 8004 58.13 2.55 49.08 65.99
221 TYR HA 7920 4.63 0.56 1.20 6.73
222 TYR CB 7338 39.30 2.15 28.82 57.73
223 TYR QB 14469 2.88 0.38 -0.19 4.70
224 TYR QD 11876 6.94 0.30 4.20 8.53
225 TYR QE 11433 6.71 0.23 2.78 8.50
226 TYR CG 95 129.76 5.25 117.70 174.59
227 TYR CD1 3221 132.76 1.25 116.44 138.65
228 TYR CE1 3194 117.93 1.22 110.70 134.01
229 TYR CZ 79 156.63 2.11 153.54 162.70
230 TYR CE2 1969 117.92 1.32 113.10 134.01
231 TYR CD2 1976 132.72 1.45 113.00 136.70
232 TYR HH 116 9.30 1.42 5.99 13.75
233 TYR C 5595 175.41 1.99 167.86 182.92
234 VAL N 20023 121.13 4.57 97.95 143.29
235 VAL H 21929 8.29 0.68 3.98 12.59
236 VAL CA 18322 62.48 2.88 50.16 70.02
237 VAL HA 16989 4.19 0.58 0.97 6.30
238 VAL CB 16925 32.72 1.80 20.55 45.33
239 VAL HB 15883 1.99 0.32 -0.62 3.32
240 VAL CG1 11973 21.51 1.38 13.53 32.27
241 VAL CG2 11411 21.29 1.57 13.58 30.46
242 VAL QQG 30606 0.82 0.27 -2.32 2.78
243 VAL C 13289 175.66 1.90 165.65 183.69
244 DA P 61 -4.43 8.35 -45.29 0.94
245 DA C5' 22 68.24 0.53 67.41 69.71
246 DA Q5' 252 4.04 0.23 2.91 4.55
247 DA C4' 29 87.40 0.56 86.10 88.71
248 DA H4' 218 4.31 0.31 2.08 4.90
249 DA C3' 75 78.71 1.28 72.71 81.69
250 DA H3' 281 4.95 0.14 4.47 5.50
251 DA C2' 79 40.47 0.85 36.23 42.93
252 DA Q2' 564 2.70 0.20 1.64 3.34
253 DA C1' 79 85.48 0.60 82.90 86.27
254 DA H1' 282 6.07 0.24 5.19 6.58
255 DA N3 2 216.35 0.07 216.30 216.40
256 DA C2 73 155.08 0.68 153.10 155.69
257 DA H2 257 7.65 0.38 6.37 8.53
258 DA N1 2 226.10 1.27 225.20 227.00
259 DA N6 8 80.15 1.35 77.40 81.70
260 DA Q6 73 6.80 0.79 5.62 8.23
261 DA N7 2 233.80 0.42 233.50 234.10
262 DA C8 79 141.70 0.57 139.00 142.70
263 DA H8 281 8.18 0.18 7.21 8.69
264 A P 36 -3.41 1.05 -4.26 -0.66
265 A C5' 120 64.37 3.56 51.14 68.94
266 A Q5' 367 4.24 0.21 3.51 4.68
267 A C4' 135 81.68 2.71 71.99 87.42
268 A H4' 247 4.46 0.14 3.70 5.29
269 A C3' 139 72.53 2.82 62.84 78.23
270 A H3' 283 4.60 0.18 4.10 5.42
271 A C2' 155 74.54 2.35 65.25 79.70
272 A H2' 302 4.59 0.18 4.01 5.57
273 A HO2' 4 6.82 0.10 6.74 6.96
274 A C1' 221 90.99 1.95 84.40 93.90
275 A H1' 311 5.87 0.19 4.98 6.35
276 A N9 52 170.30 1.51 166.90 173.60
277 A C4 7 147.02 0.86 146.19 148.60
278 A N3 49 215.53 3.55 211.55 224.60
279 A C2 216 152.95 1.78 148.30 157.60
280 A H2 311 7.60 0.41 6.40 8.67
281 A N1 54 222.44 3.50 210.50 227.00
282 A C6 7 155.32 0.20 155.10 155.62
283 A N6 41 81.62 2.56 75.52 87.30
284 A Q6 164 7.09 0.65 5.24 8.80
285 A C5 8 111.92 18.44 66.28 118.90
286 A N7 29 230.78 1.90 226.70 235.80
287 A C8 219 139.19 1.79 135.10 143.18
288 A H8 312 7.97 0.24 7.18 8.78
289 DC P 63 0.76 13.63 -9.41 52.72
290 DC C5' 21 65.52 4.43 47.77 68.40
291 DC Q5' 290 4.01 0.26 2.57 4.66
292 DC C4' 22 86.28 1.30 83.93 88.39
293 DC H4' 252 4.12 0.36 1.58 4.83
294 DC C3' 71 77.36 1.70 71.90 80.00
295 DC H3' 320 4.75 0.17 4.16 5.28
296 DC C2' 71 40.72 0.72 37.73 42.27
297 DC Q2' 645 2.23 0.21 1.21 2.82
298 DC C1' 83 87.66 0.89 85.10 88.53
299 DC H1' 325 5.92 0.29 5.17 6.57
300 DC N4 9 97.44 1.07 95.10 98.60
301 DC Q4 239 7.42 0.84 5.50 9.14
302 DC C5 81 98.73 0.41 97.36 99.55
303 DC H5 326 5.61 0.32 4.52 6.39
304 DC C6 78 143.35 0.62 141.57 144.70
305 DC H6 326 7.52 0.24 6.35 8.31
306 C P 58 -3.89 1.05 -4.99 -0.79
307 C C5' 175 63.51 3.11 50.26 70.25
308 C Q5' 471 4.19 0.27 2.70 4.64
309 C C4' 199 81.38 2.53 71.83 86.80
310 C H4' 323 4.32 0.16 3.61 4.65
311 C C3' 212 71.60 3.03 59.84 82.15
312 C H3' 383 4.40 0.17 3.86 5.06
313 C C2' 230 74.60 2.69 65.07 84.99
314 C H2' 422 4.33 0.21 3.83 4.93
315 C HO2' 9 6.74 0.19 6.28 6.91
316 C C1' 276 92.15 1.86 86.66 95.80
317 C H1' 437 5.55 0.18 4.38 6.23
318 C N1 68 152.20 4.54 149.10 178.83
319 C C2 16 156.29 0.73 154.30 157.61
320 C N3 55 188.34 13.44 164.11 199.10
321 C C4 30 167.12 1.36 165.43 169.00
322 C N4 107 98.06 1.73 93.90 102.62
323 C Q4 555 7.61 0.66 5.23 8.96
324 C C5 272 96.76 1.63 90.93 99.96
325 C H5 451 5.45 0.26 4.89 6.35
326 C C6 280 140.59 1.65 134.20 145.02
327 C H6 449 7.67 0.21 6.99 8.46
328 DG P 69 -0.58 11.66 -20.92 47.10
329 DG C5' 22 67.31 1.64 64.11 69.20
330 DG Q5' 335 4.07 0.21 2.90 4.52
331 DG C4' 25 87.34 1.04 85.44 89.40
332 DG H4' 280 4.32 0.18 3.60 5.00
333 DG C3' 73 78.07 1.81 72.30 80.04
334 DG H3' 348 4.91 0.15 4.21 5.37
335 DG C2' 74 40.39 1.06 39.19 44.38
336 DG Q2' 700 2.63 0.21 1.16 3.75
337 DG C1' 77 85.47 0.77 83.66 87.51
338 DG H1' 351 5.87 0.26 5.14 6.50
339 DG N2 4 75.38 0.22 75.10 75.60
340 DG H21 38 8.10 1.40 5.26 10.48
341 DG H22 36 7.18 1.13 5.24 9.18
342 DG Q2 74 7.65 1.28 5.24 10.48
343 DG N1 9 147.04 0.28 146.70 147.70
344 DG H1 182 12.53 0.67 10.17 13.63
345 DG N7 3 236.93 0.06 236.90 237.00
346 DG C8 75 138.92 0.88 136.10 139.89
347 DG H8 350 7.80 0.21 6.48 8.44
348 G P 64 -3.43 1.02 -4.90 -0.50
349 G C5' 196 64.44 3.90 50.36 71.13
350 G Q5' 611 4.22 0.19 3.63 4.65
351 G C4' 223 81.55 2.85 72.08 87.10
352 G H4' 400 4.41 0.15 3.46 4.85
353 G C3' 236 72.37 2.90 62.41 81.00
354 G H3' 467 4.52 0.23 3.80 5.66
355 G C2' 263 73.98 2.64 64.74 79.20
356 G H2' 509 4.55 0.22 3.26 5.05
357 G HO2' 8 6.85 0.19 6.45 7.07
358 G C1' 326 90.90 2.01 84.00 94.56
359 G H1' 520 5.61 0.36 3.61 6.14
360 G N9 102 169.13 1.61 164.15 172.81
361 G C4 11 149.86 1.03 148.90 151.60
362 G C2 16 155.34 0.93 154.29 157.03
363 G N2 42 74.66 1.72 70.81 77.85
364 G Q2 230 6.81 0.84 4.71 8.98
365 G N1 239 146.67 3.41 127.31 153.36
366 G H1 392 12.39 1.00 6.91 13.73
367 G C6 40 160.25 1.21 158.10 162.39
368 G C5 20 116.14 0.32 115.10 116.60
369 G N7 50 234.13 1.77 230.70 238.06
370 G C8 340 136.45 2.00 132.28 143.00
371 G H8 530 7.59 0.34 6.64 8.46
372 DT P 60 0.75 11.23 -4.39 47.79
373 DT C5' 19 66.71 1.34 63.32 68.40
374 DT Q5' 249 3.99 0.26 2.73 4.61
375 DT C4' 21 86.19 0.92 84.60 88.49
376 DT H4' 237 4.10 0.31 2.00 4.61
377 DT C3' 148 77.53 1.54 73.35 79.90
378 DT H3' 389 4.80 0.15 4.06 5.89
379 DT C2' 154 40.17 0.65 37.70 41.53
380 DT Q2' 791 2.25 0.20 0.78 2.84
381 DT C1' 154 87.16 0.73 84.84 87.89
382 DT H1' 395 5.96 0.26 4.69 6.62
383 DT N3 16 159.32 0.75 158.40 160.50
384 DT H3 159 13.40 0.86 10.42 14.46
385 DT C5 7 14.44 0.10 14.30 14.55
386 DT C7 20 14.49 0.16 14.20 14.80
387 DT Q7 247 1.56 0.23 0.65 2.03
388 DT C6 160 139.36 0.49 137.20 140.10
389 DT H6 395 7.36 0.29 4.39 8.33
390 U P 40 -3.70 1.15 -4.81 -0.82
391 U C5' 124 63.81 3.14 50.51 69.96
392 U Q5' 341 4.21 0.23 3.13 4.72
393 U C4' 151 81.87 2.58 72.07 94.42
394 U H4' 238 4.38 0.14 3.74 4.65
395 U C3' 146 72.45 2.77 62.26 79.10
396 U H3' 269 4.48 0.16 3.71 4.95
397 U C2' 174 74.20 2.09 65.21 83.00
398 U H2' 301 4.39 0.21 3.73 5.05
399 U HO2' 7 6.83 0.09 6.67 6.94
400 U C1' 221 91.57 2.03 86.76 94.65
401 U H1' 313 5.60 0.18 5.11 6.14
402 U N1 56 146.32 2.56 143.50 162.10
403 U C2 23 151.13 0.97 149.90 153.13
404 U N3 133 160.83 2.28 154.50 165.28
405 U H3 200 13.16 1.09 10.57 14.76
406 U C4 36 167.04 1.61 164.02 169.70
407 U C5 208 102.82 1.81 96.42 107.20
408 U H5 331 5.45 0.28 4.82 6.29
409 U C6 214 141.02 1.99 134.31 145.70
410 U H6 328 7.76 0.18 7.12 8.46
SPECTRUM NOESY H1 H2
0.900 H1:H_A* ~4.0 H2:H_A*
0.800 H1:H_A* ~4.5 H2:H_A*
0.700 H1:H_A* ~5.0 H2:H_A*
0.600 H1:H_A* ~5.5 H2:H_A*
0.500 H1:H_A* ~6.0 H2:H_A*
SPECTRUM COSY H1 H2
0.980 H1:H2:H_A*
0.980 H1:H_A* * H2:H_A*
0.980 H1:H_A* * * H2:H_A*
SPECTRUM TOCSY H1 H2
0.980 H1:H2:H_A*
0.980 H1:H_A* * H2:H_A*
0.980 H1:H_A* * * H2:H_A*
0.980 H1:H_AMI N_AM* C_ALI C_ALI H2:H_ALI
0.980 H1:H_ALI C_ALI C_ALI N_AM* H2:H_AMI
0.980 H1:H_ALI C_ALI C_ALI C_ALI N_AMO H2:H_AMI
0.980 H2:H_ALI C_ALI C_ALI C_ALI N_AMO H1:H_AMI
0.980 H1:H_A* C_A* C_A* (H_A*) C_A* H2:H_A*
0.980 H1:H_AMI N_AM* C_ALI C_ALI (H_ALI) C_ALI H2:H_ALI
0.980 H2:H_AMI N_AM* C_ALI C_ALI (H_ALI) C_ALI H1:H_ALI
0.980 H1:H_A* C_A* C_A* (H_A*) C_A* (H_A*) C_A* H2:H_A*
0.800 H1:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI N_AMI H2:H_AMI
0.800 H2:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI N_AMI H1:H_AMI
0.300 H1:H_AMI N_AMI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI N_AMI H2:H_AMI
0.800 H1:H_A* C_A* C_A* (H_A*) C_A* (H_A*) C_A* (H_A*) C_A* H2:H_A*
0.800 H1:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI (H_ALI) N_AMO H2:H_AMI
0.800 H2:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI (H_ALI) N_AMO H1:H_AMI
0.300 H1:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI (H_ALI) C_ALI N_AM* H2:H_AMI
0.300 H2:H_ALI C_ALI C_ALI (H_ALI) C_ALI (H_ALI) C_ALI (H_ALI) C_ALI N_AM* H1:H_AMI
SPECTRUM C13HSQC C H
0.980 C:C_A* H:H_A*
SPECTRUM C13HSQCPOS C H
0.980 C* C:C_A* (C*) (C*) H:H_A*
0.980 C_A* C:C_A* (H*) (H*) H:H_A*
0.980 C_A* C:C_A* (H*) (N*) H:H_A*
0.980 C* C:C* (H*) (O*) H:H*
0.980 C* C:C* (H*) (S*) H:H*
0.980 C* C:C_ARO (H*) H:H_A*
0.980 C* C:C_ARO (N*) H:H_A*
0.980 C_BYL C:C_A* (C*) (N*) H:H_A*
0.980 C_BYL C:C_A* (C*) (H*) H:H_A*
0.980 C_BYL C:C_A* (C*) (O*) H:H_A*
0.980 C_BYL C:C_ARO (C*) H:H_A*
SPECTRUM C13HSQCNEG C H
0.980 C_A* C:C_A* (C_A*) (N*) H:H_A*
0.980 C_A* C:C_A* (C_A*) (H*) H:H_A*
0.980 C_A* C:C_A* (C_A*) (O*) H:H_A*
0.980 C_A* C:C_ARO (C_A*) H:H_A*
0.980 N* C:C_ARO (N*) H:H_A*
0.980 H* C:C_A* (S*) (H*) H:H_A*
0.980 C_BYL C:C_A* (H*) (H*) H:H_A*
0.980 C_BYL C:C_A* (H*) (N*) H:H_A*
SPECTRUM N15HSQC N H
0.980 N:N_AM* H:H_AMI
SPECTRUM N15NOESY H HN N
0.900 N:N_AM* HN:H_AMI ~4.0 H:H_*
0.800 N:N_AM* HN:H_AMI ~4.5 H:H_*
0.700 N:N_AM* HN:H_AMI ~5.0 H:H_*
0.600 N:N_AM* HN:H_AMI ~5.5 H:H_*
0.500 N:N_AM* HN:H_AMI ~6.0 H:H_*
SPECTRUM N15NOESYN15HSQC N2 H1 N1
0.900 N1:N_AM* H1:H_AMI ~4.0 H_AMI N2:N_AM*
0.800 N1:N_AM* H1:H_AMI ~4.5 H_AMI N2:N_AM*
0.700 N1:N_AM* H1:H_AMI ~5.0 H_AMI N2:N_AM*
0.600 N1:N_AM* H1:H_AMI ~5.5 H_AMI N2:N_AM*
0.500 N1:N_AM* H1:H_AMI ~6.0 H_AMI N2:N_AM*
SPECTRUM N15NOESYC13HSQC C HN N
0.900 N:N_AM* HN:H_AMI ~4.0 H_A* C:C_A*
0.800 N:N_AM* HN:H_AMI ~4.5 H_A* C:C_A*
0.700 N:N_AM* HN:H_AMI ~5.0 H_A* C:C_A*
0.600 N:N_AM* HN:H_AMI ~5.5 H_A* C:C_A*
0.500 N:N_AM* HN:H_AMI ~6.0 H_A* C:C_A*
SPECTRUM C13NOESYN15HSQC N HC C
0.900 N:N_AM* H_AMI ~4.0 HC:H_A* C:C_A*
0.800 N:N_AM* H_AMI ~4.5 HC:H_A* C:C_A*
0.700 N:N_AM* H_AMI ~5.0 HC:H_A* C:C_A*
0.600 N:N_AM* H_AMI ~5.5 HC:H_A* C:C_A*
0.500 N:N_AM* H_AMI ~6.0 HC:H_A* C:C_A*
SPECTRUM C13NOESYC13HSQC C2 H1 C1
0.900 C2:C_A* H_A* ~4.0 H1:H_A* C1:C_A*
0.800 C2:C_A* H_A* ~4.5 H1:H_A* C1:C_A*
0.700 C2:C_A* H_A* ~5.0 H1:H_A* C1:C_A*
0.600 C2:C_A* H_A* ~5.5 H1:H_A* C1:C_A*
0.500 C2:C_A* H_A* ~6.0 H1:H_A* C1:C_A*
SPECTRUM C13NOESY H HC C
0.900 C:C_A* HC:H_A* ~4.0 H:H_*
0.800 C:C_A* HC:H_A* ~4.5 H:H_*
0.700 C:C_A* HC:H_A* ~5.0 H:H_*
0.600 C:C_A* HC:H_A* ~5.5 H:H_*
0.500 C:C_A* HC:H_A* ~6.0 H:H_*
SPECTRUM C13NOESY2D H HC
0.900 C_A* HC:H_A* ~4.0 H:H_*
0.800 C_A* HC:H_A* ~4.5 H:H_*
0.700 C_A* HC:H_A* ~5.0 H:H_*
0.600 C_A* HC:H_A* ~5.5 H:H_*
0.500 C_A* HC:H_A* ~6.0 H:H_*
SPECTRUM CCNOESY3D C1 C2 H1
0.900 C1:C_A* H1:H_A* ~4.0 H_A* C2:C_A*
0.800 C1:C_A* H1:H_A* ~4.5 H_A* C2:C_A*
0.700 C1:C_A* H1:H_A* ~5.0 H_A* C2:C_A*
0.600 C1:C_A* H1:H_A* ~5.5 H_A* C2:C_A*
0.500 C1:C_A* H1:H_A* ~6.0 H_A* C2:C_A*
SPECTRUM CCNOESY H1 H2 C2 C1
0.900 C1:C_A* H1:H_A* ~4.0 H2:H_A* C2:C_A*
0.800 C1:C_A* H1:H_A* ~4.5 H2:H_A* C2:C_A*
0.700 C1:C_A* H1:H_A* ~5.0 H2:H_A* C2:C_A*
0.600 C1:C_A* H1:H_A* ~5.5 H2:H_A* C2:C_A*
0.500 C1:C_A* H1:H_A* ~6.0 H2:H_A* C2:C_A*
SPECTRUM NNNOESY H1 H2 N2 N1
0.900 N1:N_AM* H1:H_A* ~4.0 H2:H_A* N2:N_AM*
0.800 N1:N_AM* H1:H_A* ~4.5 H2:H_A* N2:N_AM*
0.700 N1:N_AM* H1:H_A* ~5.0 H2:H_A* N2:N_AM*
0.600 N1:N_AM* H1:H_A* ~5.5 H2:H_A* N2:N_AM*
0.500 N1:N_AM* H1:H_A* ~6.0 H2:H_A* N2:N_AM*
SPECTRUM NCNOESY HC HN N C
0.900 N:N_AM* HN:H_A* ~4.0 HC:H_A* C:C_A*
0.800 N:N_AM* HN:H_A* ~4.5 HC:H_A* C:C_A*
0.700 N:N_AM* HN:H_A* ~5.0 HC:H_A* C:C_A*
0.600 N:N_AM* HN:H_A* ~5.5 HC:H_A* C:C_A*
0.500 N:N_AM* HN:H_A* ~6.0 HC:H_A* C:C_A*
SPECTRUM HNHB HN N H
0.980 HN:H:H_AMI N:N_AM*
0.980 HN:H_AMI N:N_AM* H:H_AMI
0.980 HN:H_AMI N:N_AM* C_A* N_AM* H:H_AMI
0.980 HN:H_AMI N:N_AM* C_VIN C_A* H:H_A*
0.980 HN:H_AMI N:N_AMI C_ALI C_ALI H:H_ALI
SPECTRUM HNHA HN N H
0.980 HN:H_A* N:N_AM* C_A* H:H_A*
0.980 HN:H_A* N:N_AM* C_BYL C_A* H:H_A*
SPECTRUM N15TOCSY HN N H
0.980 HN:H:H_AMI N:N_AM*
0.980 HN:H_AMI N:N_AM* H:H_AMI
0.980 HN:H_AMI N:N_AM* C_* H:H_A*
0.980 HN:H_AMI N:N_AM* C_ALI C_ALI H:H_ALI
0.010 HN:H_AMI N:N_AM* C_ALI C_ALI (H_ALI) C_ALI H:H_ALI
SPECTRUM HCCHTOCSY HC C H
0.980 HC:H:H_A* C:C_A*
0.980 HC:H_A* C:C_A* H:H_A*
0.980 HC:H_A* C:C_A* C_A* H:H_A*
0.800 HC:H_A* C:C_A* C_A* C_A* H:H_A*
0.800 HC:H_ARO C:C_ARO C_ARO C_ARO C_ARO C_ARO H:H_ARO
0.300 HC:H_A* C:C_A* C_A* C_A* C_A* H:H_A*
0.300 HC:H_A* C:C_A* C_A* C_A* C_A* C_A* H:H_A*
SPECTRUM HCCHCOSY HC C H
0.980 HC:H:H_A* C:C_A*
0.980 HC:H_A* C:C_A* H:H_A*
0.980 HC:H_A* C:C_A* C_A* H:H_A*
SPECTRUM CCHTOCSY H1 C1 C2
0.980 H1:H_A* C1:C2:C_A*
0.980 H1:H_A* C1:C_A* C2:C_A*
0.800 H1:H_A* C1:C_A* C_A* C2:C_A*
0.300 H1:H_A* C1:C_A* C_A* C_A* C2:C_A*
0.300 H1:H_A* C1:C_A* C_A* C_A* C_A* C2:C_A*
SPECTRUM CCHCOSY H1 C1 C2
0.980 H1:H_A* C1:C2:C_A*
0.980 H1:H_A* C1:C_A* C2:C_A*
SPECTRUM HCCH4D H1 C1 C2 H2
0.980 H1:H2:H_A* C1:C2:C_A*
0.980 H1:H_A* C1:C2:C_A* H2:H_A*
0.980 H1:H_A* C1:C_A* C2:C_A* H2:H_A*
0.980 H1:H_A* C1:C_A* H_A* C2:C_A* H2:H_A*
0.800 H1:H_A* C1:C_A* C_A* C2:C_A* H2:H_A*
0.300 H1:H_A* C1:C_A* C_A* C_A* C2:C_A* H2:H_A*
0.300 H1:H_A* C1:C_A* C_A* C_A* C_A* C2:C_A* H2:H_A*
SPECTRUM HCcCH H1 H2 C2 C1
1.000 H1:H_ALI C1:C_ALI C_ALI C2:C_ALI H2:H_ALI
SPECTRUM HNcoHA H HN N
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI H:H_ALI
SPECTRUM HNCA HN N C
0.980 HN:H_AMI N:N_AM* C:C_ALI C_BYL
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI
SPECTRUM iHNCA HN N C
0.980 HN:H_AMI N:N_AM* C:C_ALI C_BYL
SPECTRUM HNcoCA HN N C
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI
SPECTRUM HNcaCO HN N C
0.800 HN:H_AMI N:N_AMI (C_ALI) C:C_BYL
0.980 HN:H_AMI N:N_AMI C_ALI C:C_BYL
SPECTRUM HNCO HN N C
0.980 HN:H_AMI N:N_AMI C:C_BYL C_ALI N_AMI
SPECTRUM CACO CA CO
0.980 N_AMI CA:C_ALI CO:C_BYL
SPECTRUM HCACO HC C CO
0.980 HC:H_ALI C:C_ALI CO:C_BYL
SPECTRUM HCAcoN HC C N
0.980 HC:H_ALI C:C_ALI C_BYL N:N_AMI
SPECTRUM CBCANH HN N C
0.980 HN:H_AMI N:N_AM* (C_BYL) C:C_ALI
0.980 HN:H_AMI N:N_AM* (C_BYL) C_ALI C:C_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C:C_ALI
SPECTRUM CBCANHPOS HN N C
0.980 HN:H_AMI N:N_AM* (C_BYL) C:C_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI
SPECTRUM CBCANHNEG HN N C
0.980 HN:H_AMI N:N_AM* (C_BYL) C_ALI C:C_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C:C_ALI
SPECTRUM iCBCANH HN N C
0.980 HN:H_AMI N:N_AMI (C_BYL) C:C_ALI
0.980 HN:H_AMI N:N_AMI (C_BYL) C_ALI C:C_ALI
SPECTRUM CBCACOcaHA C CO HA
0.980 HA:H_ALI C:C_ALI CO:C_BYL
0.980 HA:H_ALI C_ALI (CO:C_BYL) C:C_ALI
SPECTRUM CBCAcoNH HN N C
0.980 HN:H_AMI N:N_AMI C_BYL C:C_ALI N_AMI
0.980 HN:H_AMI N:N_AMI C_BYL C_ALI (N_AMI) C:C_ALI
SPECTRUM HBHAcoNH HN N H
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI H:H_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI H:H_ALI
SPECTRUM HcaNH H N HN
0.980 H:H_A* C_A* N:N_AM* HN:H_AMI
0.800 H:H_ALI C_ALI C_BYL N:N_AMI HN:H_AMI
SPECTRUM hNcaNH H1 N1 N2
0.980 H_AMI N2:N_AMI C_ALI C_BYL N1:N_AMI H1:H_AMI
0.700 H_AMI N2:N_AMI C_BYL C_ALI N1:N_AMI H1:H_AMI
SPECTRUM HncaNH H1 N1 H2
0.980 H2:H_AMI N_AMI C_ALI C_BYL N1:N_AMI H1:H_AMI
0.700 H2:H_AMI N_AMI C_BYL C_ALI N1:N_AMI H1:H_AMI
SPECTRUM HNcacoNh H1 N1 N2
0.980 H1:H_AMI N1:N_AMI C_ALI C_BYL N2:N_AMI
SPECTRUM HNcaconH H1 N1 H2
0.980 H1:H_AMI N1:N_AMI C_ALI C_BYL N_AMI H2:H_AMI
SPECTRUM CcoNH HN N C
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C:C_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C:C_ALI
0.300 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C:C_ALI
0.300 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C_ALI C:C_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C:C_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C_ALI C:C_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C_ALI C_ALI C:C_ALI
SPECTRUM HCcoNH HN N H
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI H:H_ALI
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI H:H_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI H:H_ALI
0.300 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C_ALI H:H_ALI
0.300 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C_ALI C_ALI H:H_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C_ALI H:H_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C_ALI C_ALI H:H_ALI
0.200 HN:H_AMI N:N_AMI C_BYL C_ALI C_ALI C_ALI H:H_ALI
SPECTRUM HCcoNH4D HN N C HC
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C:C_ALI HC:H_ALI
0.980 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C:C_ALI HC:H_ALI
0.800 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C:C_ALI HC:H_ALI
0.600 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C:C_ALI HC:H_ALI
0.400 HN:H_AMI N:N_AMI (C_ALI) C_BYL C_ALI C_ALI C_ALI C_ALI C:C_ALI HC:H_ALI
SPECTRUM CBHaro C H
0.980 C:C_ALI C_VIN C_ARO H:H_ARO
0.980 C:C_ALI C_VIN C_ARO C_ARO H:H_ARO
0.980 C:C_ALI C_VIN C_ARO C_ARO C_ARO H:H_ARO
SPECTRUM CBHDaro C H
0.980 C:C_ALI C_VIN C_ARO H:H_ARO
SPECTRUM CBHEaro C H
0.980 C:C_ALI C_VIN C_ARO C_ARO H:H_ARO
SPECTRUM NCACB N CA C
0.980 N:N_AMI CA:C:C_ALI (C_BYL)
0.980 N:N_AMI CA:C_ALI C:C_BYL
0.980 N:N_AMI CA:C_ALI (C_BYL) C:C_*
0.300 N:N_AMI CA:C_ALI (C_BYL) C_ALI C:C_*
SPECTRUM NCACBCX N CB C
0.980 N:N_AMI C_ALI (C_BYL) CB:C_ALI C:C_*
0.980 N:N_AMI C:C_ALI (C_BYL) CB:C_ALI
0.300 N:N_AMI C_ALI (C_BYL) CB:C:C_ALI
0.300 N:N_AMI C_ALI (C_BYL) CB:C_ALI C_ALI C:C_*
0.300 N:N_AMI C_ALI (C:C_BYL) CB:C_ALI
SPECTRUM NCACALI N CA C
0.980 N:N_AMI CA:C:C_ALI (C_BYL)
0.980 N:N_AMI CA:C_ALI (C_BYL) C:C_ALI
0.980 N:N_AMI CA:C_ALI (C_BYL) C_ALI C:C_ALI
0.980 N:N_AMI CA:C_ALI (C_BYL) C_ALI C_ALI C:C_ALI
0.980 N:N_AMI CA:C_ALI (C_BYL) C_ALI C_ALI C_ALI C:C_ALI
SPECTRUM NcoCACB C1 C2 N
0.980 C1:C_ALI C2:C_ALI C_BYL N:N_AMI C_ALI
0.500 C2:C_ALI C1:C_ALI C_BYL N:N_AMI C_ALI
0.500 C1:C_ALI C2:C_ALI C_ALI C_BYL N:N_AMI C_ALI
SPECTRUM CANCOCA CA N C
0.980 CA:C_ALI N:N_AMI C_BYL C:C_ALI
0.300 CA:C_ALI N:N_AMI C:C_BYL
0.300 CA:C_ALI N:N_AMI C_BYL C_ALI C:C_ALI
0.100 CA:C_ALI N:N_AMI C_BYL C_ALI C_ALI C:C_ALI
SPECTRUM CANCO C N CA
0.980 C:C_BYL N:N_AMI CA:C_ALI C_BYL
SPECTRUM NCACO N CA C
0.980 N:N_AMI CA:C:C_ALI
0.980 N:N_AMI CA:C_ALI C:C_*
0.300 N:N_AMI CA:C_ALI C_ALI C:C_*
SPECTRUM CCC C1 C2 C3
0.800 C1:C_BYL C3:C_ALI C2:C_ALI
0.800 C1:C_BYL C2:C_ALI C3:C_ALI
0.700 C_BYL C3:C_ALI C2:C_ALI C1:C_ALI
0.700 C_BYL C2:C_ALI C3:C_ALI C1:C_ALI
0.700 C_BYL C1:C2:C_ALI C3:C_ALI
0.700 C_BYL C1:C3:C_ALI C2:C_ALI
0.700 C_BYL C3:C_ALI C1:C2:C_ALI
0.700 C_BYL C2:C_ALI C1:C3:C_ALI
0.600 C_BYL C3:C_ALI C2:C_ALI C_ALI C1:C_ALI
0.600 C_BYL C2:C_ALI C3:C_ALI C_ALI C1:C_ALI
SPECTRUM NCACX N CA C
0.980 N:N_AMI CA:C:C_ALI
0.980 N:N_AMI CA:C_ALI (C_BYL) C:C_ALI
0.800 N:N_AMI CA:C_ALI (C_BYL) C_ALI C:C_ALI
0.600 N:N_AMI CA:C_ALI (C_BYL) C_ALI C_ALI C:C_ALI
0.300 N:N_AMI CA:C_ALI (C_BYL) C_ALI C_ALI C_ALI C:C_ALI
0.980 N:N_AMI CA:C_ALI C:C_BYL
0.800 N:N_AMI CA:C_ALI C:C_*
0.800 N:N_AMI CA:C_ALI C_ALI C:C_*
0.600 N:N_AMI CA:C_ALI C_ALI C_ALI C:C_*
0.300 N:N_AMI CA:C_ALI C_ALI C_ALI C_ALI C:C_*
SPECTRUM NcaCX N C
0.980 N:N_AMI C:C_ALI
0.980 N:N_AMI C_ALI (C_BYL) C:C_ALI
0.800 N:N_AMI C_ALI (C_BYL) C_ALI C:C_ALI
0.600 N:N_AMI C_ALI (C_BYL) C_ALI C_ALI C:C_ALI
0.300 N:N_AMI C_ALI (C_BYL) C_ALI C_ALI C_ALI C:C_ALI
0.980 N:N_AMI C_ALI C:C_BYL
0.800 N:N_AMI C_ALI C:C_*
0.800 N:N_AMI C_ALI C_ALI C:C_*
0.600 N:N_AMI C_ALI C_ALI C_ALI C:C_*
0.300 N:N_AMI C_ALI C_ALI C_ALI C_ALI C:C_*
SPECTRUM NCOCA N CO C
0.980 N:N_AMI CO:C_BYL C:C_ALI N_AMI
0.800 N:N_AMI CO:C_BYL C_ALI (N_AMI) C:C_ALI
0.600 N:N_AMI CO:C_BYL C_ALI (N_AMI) C_ALI C:C_ALI
SPECTRUM NCOCX N CO C
0.980 N:N_AMI CO:C:C_BYL
0.980 N:N_AMI CO:C_BYL C:C_ALI
0.800 N:N_AMI CO:C_BYL C_ALI C:C_ALI
0.600 N:N_AMI CO:C_BYL C_ALI C_ALI C:C_ALI
0.300 N:N_AMI CO:C_BYL C_ALI C_ALI C_ALI C:C_ALI
SPECTRUM NcoCX N C
0.980 N:N_AMI C:C_BYL
0.980 N:N_AMI C_BYL C:C_ALI
0.800 N:N_AMI C_BYL C_ALI C:C_ALI
0.600 N:N_AMI C_BYL C_ALI C_ALI C:C_ALI
0.300 N:N_AMI C_BYL C_ALI C_ALI C_ALI C:C_ALI
SPECTRUM NCO N C
0.980 N:N_AMI C:C_BYL
SPECTRUM NCA N C
0.980 N:N_AMI C:C_ALI
SPECTRUM DARR C1 C2
0.900 C1:C_* ~4.0 C2:C_*
0.800 C1:C_* ~4.5 C2:C_*
0.700 C1:C_* ~5.0 C2:C_*
0.600 C1:C_* ~5.5 C2:C_*
0.500 C1:C_* ~6.0 C2:C_*
SPECTRUM PDSD C1 C2
0.100 C1:C_* ~6.0 C2:C_*
SPECTRUM PAIN N C
0.100 C:C_* ~6.0 N:N_AMI
SPECTRUM DREAM C1 C2
0.980 C1:C2:C_ALI
0.980 C1:C_ALI C2:C_ALI
0.800 C1:C_ALI C_ALI C2:C_ALI
0.600 C1:C_ALI C_ALI C_ALI C2:C_ALI
SPECTRUM DARR20 C1 C2
0.900 C1:C_BYL C2:C_ALI
0.900 C1:C_BYL C_ALI C2:C_ALI
0.900 C1:C_BYL C_ALI C_ALI C2:C_ALI
0.700 N_AMI C_BYL C1:C_A* C2:C_A*
0.400 C1:C_A* C2:C_A*
0.900 N_AMI C_BYL C1:C_ALI C_ALI C2:C_ALI
0.900 N_AMI C_BYL C1:C2:C_ALI
0.300 C1:C_ALI C_ALI C2:C_ALI
0.300 C1:C2:C_ALI C_ALI
SPECTRUM CONCACB CO N CA C
0.980 CO:C_BYL N:N_AMI CA:C_ALI (C_BYL) C:C_*
0.980 CO:C_BYL N:N_AMI CA:C_ALI C:C_BYL
0.300 CO:C_BYL N:N_AMI CA:C_ALI (C_BYL) C_ALI C:C_*
0.300 CO:C_BYL N:N_AMI CA:C:C_ALI C_BYL
SPECTRUM coNCA N CA
0.980 C_BYL N:N_AMI CA:C_ALI C_BYL
SPECTRUM CONCA CO N CA
0.980 CO:C_BYL N:N_AMI CA:C_ALI C_BYL
SPECTRUM caNCO N C
0.980 C_ALI N:N_AMI C:C_BYL
SPECTRUM CANCOCX CA N CO C
0.980 CA:C_ALI N:N_AMI CO:C_BYL C:C_ALI
0.300 CA:C_ALI N:N_AMI CO:C_BYL C_ALI C:C_ALI
0.100 CA:C_ALI N:N_AMI CO:C_BYL C_ALI C_ALI C:C_ALI