REMARK Engh & Huber parameters from PARHCSDX with sigmas (free format).
! NOTE ON THE FORMAT OF THIS DICTIONARY:
! Entries are entirely free format; each text or numeric item is separated by at
! least one blank character, and extra blanks and tabs are treated as cosmetic.
! Each record is identified by a keyword:
! REMARK, RESIDUE, DISTANCE, DIHEDRAL, RING, CHIRAL, PLANE, ATOM or END;
! only the first 4 characters are used and it is not case-sensitive.
! Other text items are significant in their entirety, they are treated as
! case-sensitive, and they are assumed to be left-justified unless enclosed in
! apostrophes. So for example, the symbol for a calcium atom is CA (or 'CA',
! 'CA ' or 'CA '), but that for an alpha-carbon is ' CA' (or ' CA ').
! If a text item contains one or more significant apostrophes (e.g. atom names
! in carbohydrates), each apostrophe must be doubled, and the whole item
! enclosed in a further pair of apostrophes, unless already enclosed.
! A record may be continued onto succeeding lines, with up to 24 continuation
! lines, by terminating each continued line with a blank-separated hyphen (-).
RESI ADE
DIST ' N9 ' 1 1.370 0.000 2 2.240 0.000 3 2.190 0.000 8 2.430 0.000 -
9 1.370 0.000
DIST ' C8 ' 1 1.300 0.000 2 2.120 0.000 8 2.170 0.000
DIST ' N7 ' 1 1.390 0.000 2 2.550 0.000 7 2.260 0.000
DIST ' C5 ' 1 1.400 0.000 2 2.420 0.000 3 2.350 0.000 5 2.430 0.000 -
6 1.370 0.000
DIST ' C6 ' 1 1.340 0.000 2 1.350 0.000 3 2.310 0.000 5 2.360 0.000
DIST ' N6 ' 1 2.320 0.000
DIST ' N1 ' 1 1.330 0.000 2 2.390 0.000
DIST ' C2 ' 1 1.310 0.000 2 2.200 0.000
DIST ' N3 ' 1 1.350 0.000
DIST ' C4 '
PLAN PLANE1 1 2 1 2 3 4 5 6 7 8 9 10
RESI ALA
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.446 0.039 -
3 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.521 0.033 2 1.525 0.021 3 2.401 0.032 -
4 2.425 0.034
DIST ' CB ' 1 2.503 0.039
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 4
DIHE PSI 1 2 4 6
DIHE OMEGA 2 4 6 7
PLAN PLANE1 1 2 2 4 5 6
RESI ARG
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
9 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.559 0.042 8 1.525 0.021 -
9 2.401 0.032 10 2.425 0.034
DIST ' CB ' 1 1.520 0.030 2 2.510 0.049 7 2.504 0.038
DIST ' CG ' 1 1.520 0.030 2 2.471 0.043
DIST ' CD ' 1 1.460 0.018 2 2.466 0.026
DIST ' NE ' 1 1.329 0.014 2 2.299 0.030 3 2.299 0.030
DIST ' CZ ' 1 1.326 0.018 2 1.326 0.018
DIST ' NH1' 1 2.293 0.030
DIST ' NH2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 10
DIHE PSI 1 2 10 12
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE CHI4 4 5 6 7
DIHE CHI5 5 6 7 8
DIHE OMEGA 2 10 12 13
PLAN PLANE1 1 2 2 10 11 12
PLAN PLANE2 2 1 5 6 7 8 9
RESI ARX
DIST ' NE ' 1 1.350 0.000 2 2.320 0.000 3 2.320 0.000
DIST ' CZ ' 1 1.330 0.000 2 1.330 0.000
DIST ' NH1' 1 2.300 0.000
DIST ' NH2'
PLAN PLANE2 2 1 1 2 3 4
RESI ASL
DIST ' CB ' 1 1.530 0.000 2 2.470 0.000 3 2.470 0.000
DIST ' CG ' 1 1.320 0.000 2 1.320 0.000
DIST ' OD1' 1 2.290 0.000
DIST ' ND2'
PLAN PLANE2 2 1 1 2 3 4
RESI ASN
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
6 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.534 0.030 5 1.525 0.021 -
6 2.401 0.032 7 2.425 0.034
DIST ' CB ' 1 1.516 0.025 2 2.393 0.036 3 2.419 0.034 4 2.504 0.038
DIST ' CG ' 1 1.231 0.020 2 1.328 0.021
DIST ' OD1' 1 2.245 0.028
DIST ' ND2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 7
DIHE PSI 1 2 7 9
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 7 9 10
PLAN PLANE1 1 2 2 7 8 9
PLAN PLANE2 2 1 3 4 5 6
RESI ASP
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
6 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.534 0.030 5 1.525 0.021 -
6 2.401 0.032 7 2.425 0.034
DIST ' CB ' 1 1.516 0.025 2 2.379 0.039 3 2.379 0.039 4 2.504 0.038
DIST ' CG ' 1 1.249 0.019 2 1.249 0.019
DIST ' OD1' 1 2.194 0.034
DIST ' OD2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 7
DIHE PSI 1 2 7 9
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 7 9 10
PLAN PLANE1 1 2 2 7 8 9
PLAN PLANE2 2 1 3 4 5 6
RESI ASX
DIST ' CB ' 1 1.530 0.000 2 2.400 0.000 3 2.400 0.000
DIST ' CG ' 1 1.240 0.000 2 1.240 0.000
DIST ' OD1' 1 2.150 0.000
DIST ' OD2'
PLAN PLANE2 2 1 1 2 3 4
RESI CAR
DIST ' OXT' -2 1.249 0.019 -1 2.194 0.034
RESI CPR
DIST ' N ' -2 1.341 0.016 -1 2.250 0.027 1 1.466 0.015 2 2.345 0.027 -
3 2.332 0.038 4 1.473 0.014 5 2.477 0.042
DIST ' CA ' -3 2.463 0.062 1 1.530 0.020 2 2.390 0.052 3 2.437 0.026 -
4 1.525 0.021 5 2.401 0.032 6 2.425 0.034
DIST ' CB ' 1 1.492 0.050 2 2.393 0.070 3 2.504 0.038
DIST ' CG ' 1 1.503 0.034
DIST ' CD ' -6 2.497 0.050
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 6
DIHE PSI 1 2 6 8
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 1
DIHE CHI4 4 5 1 2
DIHE OMEGA 2 6 8 9
RING 5
PLAN PLANE1 1 2 2 6 7 8
RESI CYH
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
4 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.810 0.049 3 1.525 0.021 -
4 2.401 0.032 5 2.425 0.034
DIST ' CB ' 1 1.808 0.033 2 2.504 0.038
DIST ' SG '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 5
DIHE PSI 1 2 5 7
DIHE CHI1 1 2 3 4
DIHE OMEGA 2 5 7 8
PLAN PLANE1 1 2 2 5 6 7
RESI CYS
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
4 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.822 0.043 3 1.525 0.021 -
4 2.401 0.032 5 2.425 0.034
DIST ' CB ' 1 1.822 0.020 2 2.504 0.038
DIST ' SG '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 5
DIHE PSI 1 2 5 7
DIHE CHI1 1 2 3 4
DIHE OMEGA 2 5 7 8
PLAN PLANE1 1 2 2 5 6 7
RESI CYT
DIST ' N1 ' 1 1.340 0.000 2 2.220 0.000 3 2.320 0.000 6 2.320 0.000 -
7 1.360 0.000
DIST ' C2 ' 1 1.230 0.000 2 1.360 0.000 3 2.320 0.000 6 2.320 0.000
DIST ' O2 ' 1 2.240 0.000
DIST ' N3 ' 1 1.340 0.000 2 2.320 0.000 3 2.320 0.000
DIST ' C4 ' 1 1.320 0.000 2 1.430 0.000 3 2.320 0.000
DIST ' N4 ' 1 2.320 0.000
DIST ' C5 ' 1 1.340 0.000
DIST ' C6 '
PLAN PLANE1 1 2 1 2 3 4 5 6 7 8 9
RESI FMP
DIST ' N1 ' 1 1.300 0.000 2 2.350 0.000 4 2.360 0.000 5 1.350 0.000 -
6 2.300 0.000
DIST ' C2 ' 1 1.330 0.000 2 2.320 0.000 4 2.290 0.000
DIST ' N3 ' 1 1.420 0.000 2 2.380 0.000 7 2.590 0.000
DIST ' C4 ' 1 1.340 0.000 2 2.410 0.000 4 2.140 0.000 5 2.180 0.000 -
6 1.400 0.000
DIST ' C5 ' 1 1.410 0.000 2 2.410 0.000 3 1.350 0.000 4 2.220 0.000 -
5 2.220 0.000
DIST ' C6 ' 1 1.320 0.000 2 2.540 0.000
DIST ' N6 '
DIST ' N7 ' 1 1.350 0.000 2 2.130 0.000
DIST ' N8 ' 1 1.290 0.000 2 2.470 0.000
DIST ' C9 ' 1 1.510 0.000 2 2.550 0.000 7 2.410 0.000
DIST ' C1*' 1 1.560 0.000 2 2.380 0.000 3 2.360 0.000 5 2.350 0.000 -
6 1.440 0.000
DIST ' C2*' 1 1.440 0.000 2 1.510 0.000 3 2.420 0.000 4 2.370 0.000 -
5 2.400 0.000
DIST ' O2*' 1 2.440 0.000
DIST ' C3*' 1 1.410 0.000 2 1.530 0.000 3 2.330 0.000 4 2.560 0.000
DIST ' O3*' 1 2.460 0.000
DIST ' C4*' 1 1.440 0.000 2 1.500 0.000 3 2.420 0.000
DIST ' O4*' 1 2.410 0.000
DIST ' C5*' 1 1.420 0.000 2 2.600 0.000
DIST ' O5*' 1 1.600 0.000 2 2.470 0.000 3 2.540 0.000 4 2.470 0.000
DIST ' P ' 1 1.500 0.000 2 1.500 0.000 3 1.580 0.000
DIST ' O1P' 1 2.550 0.000 2 2.540 0.000
DIST ' O2P' 1 2.530 0.000
DIST ' O3P'
CHIR CHIRL1 10 11 17 12
CHIR CHIRL2 11 12 14 13
CHIR CHIRL3 12 14 15 16
CHIR CHIRL4 14 16 17 18
PLAN PLANE1 1 2 1 2 3 4 5 6 7 8 9 10 11
RESI GLL
DIST ' CG ' 1 1.530 0.000 2 2.480 0.000 3 2.480 0.000
DIST ' CD ' 1 1.330 0.000 2 1.330 0.000
DIST ' OE1' 1 2.300 0.000
DIST ' NE2'
PLAN PLANE2 2 1 1 2 3 4
RESI GLN
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
7 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.559 0.042 6 1.525 0.021 -
7 2.401 0.032 8 2.425 0.034
DIST ' CB ' 1 1.520 0.030 2 2.526 0.041 5 2.504 0.038
DIST ' CG ' 1 1.516 0.025 2 2.393 0.036 3 2.419 0.034
DIST ' CD ' 1 1.231 0.020 2 1.328 0.021
DIST ' OE1' 1 2.245 0.028
DIST ' NE2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 8
DIHE PSI 1 2 8 10
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE OMEGA 2 8 10 11
PLAN PLANE1 1 2 2 8 9 10
PLAN PLANE2 2 1 4 5 6 7
RESI GLU
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
7 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.559 0.042 6 1.525 0.021 -
7 2.401 0.032 8 2.425 0.034
DIST ' CB ' 1 1.520 0.030 2 2.526 0.041 5 2.504 0.038
DIST ' CG ' 1 1.516 0.025 2 2.379 0.039 3 2.379 0.039
DIST ' CD ' 1 1.249 0.019 2 1.249 0.019
DIST ' OE1' 1 2.194 0.034
DIST ' OE2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 8
DIHE PSI 1 2 8 10
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE OMEGA 2 8 10 11
PLAN PLANE1 1 2 2 8 9 10
PLAN PLANE2 2 1 4 5 6 7
RESI GLX
DIST ' CG ' 1 1.520 0.000 2 2.390 0.000 3 2.390 0.000
DIST ' CD ' 1 1.240 0.000 2 1.240 0.000
DIST ' OE1' 1 2.150 0.000
DIST ' OE2'
PLAN PLANE2 2 1 1 2 3 4
RESI GLY
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.451 0.016 2 2.467 0.045
DIST ' CA ' -3 2.416 0.028 1 1.516 0.010 2 2.393 0.031 3 2.420 0.031
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 3
DIHE PSI 1 2 3 5
DIHE OMEGA 2 3 5 6
PLAN PLANE1 1 2 2 3 4 5
RESI GUA
DIST ' N9 ' 1 1.380 0.000 2 2.090 0.000 3 2.200 0.000 9 2.430 0.000 -
10 1.380 0.000
DIST ' C8 ' 1 1.310 0.000 2 2.020 0.000 9 2.070 0.000
DIST ' N7 ' 1 1.390 0.000 2 2.550 0.000 8 2.280 0.000
DIST ' C5 ' 1 1.420 0.000 2 2.380 0.000 3 2.320 0.000 6 2.460 0.000 -
7 1.380 0.000
DIST ' C6 ' 1 1.230 0.000 2 1.400 0.000 3 2.270 0.000 6 2.410 0.000
DIST ' O6 ' 1 2.260 0.000
DIST ' N1 ' 1 1.380 0.000 2 2.310 0.000 3 2.380 0.000
DIST ' C2 ' 1 1.340 0.000 2 1.330 0.000 3 2.230 0.000
DIST ' N2 ' 1 2.320 0.000
DIST ' N3 ' 1 1.360 0.000
DIST ' C4 '
PLAN PLANE1 1 2 1 2 3 4 5 6 7 8 9 10 11
RESI HEM
DIST 'FE ' 15 2.090 0.000 21 2.090 0.000 29 2.090 0.000 37 2.090 0.000
DIST ' CAA' 1 1.530 0.000 16 1.530 0.000 17 2.450 0.000
DIST ' CBA' 1 1.530 0.000 2 2.200 0.000 3 2.200 0.000
DIST ' CGA' 1 1.250 0.000 2 1.250 0.000
DIST ' O1A' 1 1.770 0.000
DIST ' O2A'
DIST ' CAD' 1 1.530 0.000 33 2.450 0.000 34 1.530 0.000
DIST ' CBD' 1 1.530 0.000 2 2.200 0.000 3 2.200 0.000 33 2.450 0.000
DIST ' CGD' 1 1.250 0.000 2 1.250 0.000
DIST ' O1D' 1 1.770 0.000
DIST ' O2D'
DIST ' CHA' 4 2.450 0.000 5 1.390 0.000 6 2.450 0.000 26 2.450 0.000 -
29 2.450 0.000 30 1.390 0.000
DIST ' CHB' 3 2.450 0.000 6 2.450 0.000 7 1.390 0.000 9 2.450 0.000 -
10 1.390 0.000 11 2.450 0.000
DIST ' CHC' 8 2.450 0.000 11 2.450 0.000 12 1.390 0.000 16 2.450 0.000 -
17 1.390 0.000 18 2.450 0.000
DIST ' CHD' 15 2.450 0.000 18 2.450 0.000 19 1.390 0.000 23 2.450 0.000 -
24 1.390 0.000 25 2.450 0.000
DIST ' NA ' 1 1.380 0.000 2 2.200 0.000 3 2.200 0.000 4 1.380 0.000 -
6 2.960 0.000 22 2.960 0.000
DIST ' C1A' 1 1.390 0.000 2 2.200 0.000 3 2.200 0.000 25 2.450 0.000
DIST ' C2A' 1 1.390 0.000 2 2.200 0.000 3 2.450 0.000
DIST ' C3A' 1 1.390 0.000 2 1.530 0.000
DIST ' C4A' 3 2.450 0.000
DIST ' CMA'
DIST ' NB ' 1 1.380 0.000 2 2.200 0.000 3 2.200 0.000 4 1.380 0.000 -
8 2.960 0.000
DIST ' C1B' 1 1.390 0.000 2 2.200 0.000 3 2.200 0.000
DIST ' C2B' 1 1.390 0.000 2 2.200 0.000 3 1.530 0.000 4 2.450 0.000
DIST ' C3B' 1 1.390 0.000 2 2.450 0.000 3 1.390 0.000 4 2.450 0.000
DIST ' C4B' 5 2.450 0.000
DIST ' CMB'
DIST ' CAB' 1 1.390 0.000
DIST ' CBB'
DIST ' NC ' 1 1.380 0.000 2 2.200 0.000 3 2.200 0.000 4 1.380 0.000 -
8 2.960 0.000
DIST ' C1C' 1 1.390 0.000 2 2.200 0.000 3 2.200 0.000
DIST ' C2C' 1 1.390 0.000 2 2.200 0.000 3 1.530 0.000 4 2.450 0.000
DIST ' C3C' 1 1.390 0.000 2 2.450 0.000 3 1.390 0.000 4 2.450 0.000
DIST ' C4C' 5 2.450 0.000
DIST ' CMC'
DIST ' CAC' 1 1.390 0.000
DIST ' CBC'
DIST ' ND ' 1 1.380 0.000 2 2.200 0.000 3 2.200 0.000 4 1.380 0.000
DIST ' C1D' 1 1.390 0.000 2 2.200 0.000 3 2.200 0.000
DIST ' C2D' 1 1.390 0.000 2 2.200 0.000 3 1.530 0.000
DIST ' C3D' 1 1.390 0.000 2 2.450 0.000
DIST ' C4D'
DIST ' CMD'
RESI HIS
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
8 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.536 0.025 7 1.525 0.021 -
8 2.401 0.032 9 2.425 0.034
DIST ' CB ' 1 1.497 0.014 2 2.524 0.024 3 2.597 0.021 6 2.504 0.038
DIST ' CG ' 1 1.378 0.011 2 1.354 0.011 3 2.202 0.026
DIST ' ND1' 1 2.183 0.019 2 1.321 0.010 3 2.143 0.018
DIST ' CD2' 1 2.194 0.018 2 1.374 0.011
DIST ' CE1' 1 1.321 0.010
DIST ' NE2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 9
DIHE PSI 1 2 9 11
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 9 11 12
PLAN PLANE1 1 2 2 9 10 11
PLAN PLANE2 2 1 3 4 5 6 7 8
RESI ILE
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.479 0.037 -
6 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.540 0.027 2 2.521 0.038 3 2.515 0.044 -
5 1.525 0.021 6 2.401 0.032 7 2.425 0.034
DIST ' CB ' 1 1.530 0.020 2 1.521 0.033 3 2.549 0.048 4 2.497 0.044
DIST ' CG1' 1 2.510 0.055 2 1.513 0.039
DIST ' CG2'
DIST ' CD1'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 7
DIHE PSI 1 2 7 9
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 6
DIHE OMEGA 2 7 9 10
CHIR CHIRL2 2 3 4 5
PLAN PLANE1 1 2 2 7 8 9
RESI LEU
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
6 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.599 0.055 5 1.525 0.021 -
6 2.401 0.032 7 2.425 0.034
DIST ' CB ' 1 1.530 0.020 2 2.510 0.055 3 2.510 0.055 4 2.504 0.038
DIST ' CG ' 1 1.521 0.033 2 1.521 0.033
DIST ' CD1' 1 2.504 0.051
DIST ' CD2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 7
DIHE PSI 1 2 7 9
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 7 9 10
PLAN PLANE1 1 2 2 7 8 9
RESI LYS
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
7 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.559 0.042 6 1.525 0.021 -
7 2.401 0.032 8 2.425 0.034
DIST ' CB ' 1 1.520 0.030 2 2.510 0.049 5 2.504 0.038
DIST ' CG ' 1 1.520 0.030 2 2.510 0.049
DIST ' CD ' 1 1.520 0.030 2 2.493 0.059
DIST ' CE ' 1 1.489 0.030
DIST ' NZ '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 8
DIHE PSI 1 2 8 10
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE CHI4 4 5 6 7
DIHE OMEGA 2 8 10 11
PLAN PLANE1 1 2 2 8 9 10
RESI MET
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
6 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.559 0.042 5 1.525 0.021 -
6 2.401 0.032 7 2.425 0.034
DIST ' CB ' 1 1.520 0.030 2 2.771 0.061 4 2.504 0.038
DIST ' CG ' 1 1.803 0.034 2 2.771 0.068
DIST ' SD ' 1 1.791 0.059
DIST ' CE '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 7
DIHE PSI 1 2 7 9
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE OMEGA 2 7 9 10
PLAN PLANE1 1 2 2 7 8 9
RESI PHE
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
9 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.540 0.029 8 1.525 0.021 -
9 2.401 0.032 10 2.425 0.034
DIST ' CB ' 1 1.502 0.023 2 2.509 0.034 3 2.509 0.034 7 2.504 0.038
DIST ' CG ' 1 1.384 0.021 2 1.384 0.021 3 2.404 0.038
DIST ' CD1' 1 2.380 0.032 2 1.382 0.030 4 2.394 0.043
DIST ' CD2' 2 1.382 0.030 3 2.394 0.043
DIST ' CE1' 1 2.394 0.043 2 1.382 0.030
DIST ' CE2' 1 1.382 0.030
DIST ' CZ '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 10
DIHE PSI 1 2 10 12
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 10 12 13
PLAN PLANE1 1 2 2 10 11 12
PLAN PLANE2 2 1 3 4 5 6 7 8 9
RESI PHO
DIST ' P1 ' 1 1.580 0.000 2 1.480 0.000 3 1.480 0.000
DIST ' O1 ' 1 2.490 0.000 2 2.490 0.000
DIST ' O3'' 1 2.490 0.000
DIST ' O5''
RESI PRO
DIST ' N ' -2 1.341 0.016 -1 2.250 0.027 1 1.466 0.015 2 2.345 0.027 -
3 2.332 0.038 4 1.473 0.014 5 2.477 0.042
DIST ' CA ' -3 2.463 0.062 1 1.530 0.020 2 2.390 0.052 3 2.437 0.026 -
4 1.525 0.021 5 2.401 0.032 6 2.425 0.034
DIST ' CB ' 1 1.492 0.050 2 2.393 0.070 3 2.504 0.038
DIST ' CG ' 1 1.503 0.034
DIST ' CD ' -6 2.497 0.050
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 6
DIHE PSI 1 2 6 8
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 1
DIHE CHI4 4 5 1 2
DIHE OMEGA 2 6 8 9
RING 5
PLAN PLANE1 1 2 2 6 7 8
RESI SER
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
4 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.431 0.037 3 1.525 0.021 -
4 2.401 0.032 5 2.425 0.034
DIST ' CB ' 1 1.417 0.020 2 2.504 0.038
DIST ' OG '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 5
DIHE PSI 1 2 5 7
DIHE CHI1 1 2 3 4
DIHE OMEGA 2 5 7 8
PLAN PLANE1 1 2 2 5 6 7
RESI SUG
! Note that ' in atom name must be given as ''.
DIST ' C1''' 1 1.520 0.000 2 2.420 0.000 3 2.410 0.000 5 1.410 0.000 -
6 2.720 0.000
DIST ' C2''' 1 1.530 0.000 2 2.380 0.000 4 2.160 0.000 5 1.410 0.000
DIST ' C3''' 1 1.530 0.000 3 2.370 0.000 5 1.420 0.000
DIST ' C4''' 1 1.510 0.000 2 1.460 0.000 4 2.390 0.000
DIST ' C5''' 1 2.700 0.000 4 1.430 0.000
DIST ' O1'''
DIST ' O2''' 1 2.330 0.000
DIST ' O3'''
DIST ' O5'''
RESI THR
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.479 0.037 -
5 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.540 0.027 2 2.515 0.044 3 2.430 0.034 -
4 1.525 0.021 5 2.401 0.032 6 2.425 0.034
DIST ' CB ' 1 1.521 0.033 2 1.433 0.016 3 2.497 0.044
DIST ' CG2' 1 2.410 0.042
DIST ' OG1'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 6
DIHE PSI 1 2 6 8
DIHE CHI1 1 2 3 4
DIHE OMEGA 2 6 8 9
CHIR CHIRL2 2 3 5 4
PLAN PLANE1 1 2 2 6 7 8
RESI TRP
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
12 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.534 0.041 11 1.525 0.021 -
12 2.401 0.032 13 2.425 0.034
DIST ' CB ' 1 1.498 0.031 2 2.562 0.039 9 2.621 0.036 10 2.504 0.038
DIST ' CG ' 1 1.365 0.025 2 2.246 0.032 3 2.288 0.027 7 2.605 0.024 -
8 1.433 0.018
DIST ' CD1' 1 1.374 0.021 2 2.233 0.032 7 2.239 0.034
DIST ' NE1' 1 1.370 0.011 2 2.506 0.026 6 2.240 0.025
DIST ' CE2' 1 1.394 0.021 2 2.361 0.029 5 1.409 0.017 4 2.416 0.024
DIST ' CZ2' 1 1.368 0.019 2 2.415 0.031 4 2.456 0.026
DIST ' CH2' 1 1.400 0.025 2 2.423 0.037
DIST ' CZ3' 1 1.382 0.030 2 2.390 0.033
DIST ' CE3' 1 1.398 0.016
DIST ' CD2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 13
DIHE PSI 1 2 13 15
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 13 15 16
PLAN PLANE1 1 2 2 13 14 15
PLAN PLANE2 2 1 3 4 5 6 7 8 9 10 11 12
RESI TYR
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
10 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.550 0.036 9 1.525 0.021 -
10 2.401 0.032 11 2.425 0.034
DIST ' CB ' 1 1.512 0.022 2 2.523 0.032 3 2.523 0.032 8 2.504 0.038
DIST ' CG ' 1 1.389 0.021 2 1.389 0.021 3 2.414 0.037 4 2.414 0.037
DIST ' CD1' 1 2.382 0.032 2 1.382 0.030 4 2.385 0.040
DIST ' CD2' 2 1.382 0.030 3 2.385 0.040
DIST ' CE1' 1 2.390 0.038 2 1.378 0.024 3 2.384 0.045
DIST ' CE2' 1 1.378 0.024 2 2.384 0.045
DIST ' CZ ' 1 1.376 0.021
DIST ' OH '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 11
DIHE PSI 1 2 11 13
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 11 13 14
PLAN PLANE1 1 2 2 11 12 13
PLAN PLANE2 2 1 3 4 5 6 7 8 9 10
RESI URI
DIST ' N1 ' 1 1.370 0.000 2 2.230 0.000 3 2.320 0.000 6 1.370 0.000 -
7 2.360 0.000
DIST ' C2 ' 1 1.220 0.000 2 1.380 0.000 3 2.460 0.000 6 2.400 0.000
DIST ' O2 ' 1 2.280 0.000
DIST ' N3 ' 1 1.380 0.000 2 2.270 0.000 3 2.370 0.000
DIST ' C4 ' 1 1.230 0.000 2 1.440 0.000 3 2.420 0.000
DIST ' O4 ' 1 2.370 0.000
DIST ' C5 ' 1 1.340 0.000
DIST ' C6 '
PLAN PLANE1 1 2 1 2 3 4 5 6 7 8
RESI VAL
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.479 0.037 -
5 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.540 0.027 2 2.515 0.044 3 2.515 0.044 -
4 1.525 0.021 5 2.401 0.032 6 2.425 0.034
DIST ' CB ' 1 1.521 0.033 2 1.521 0.033 3 2.497 0.044
DIST ' CG1' 1 2.504 0.051
DIST ' CG2'
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 6
DIHE PSI 1 2 6 8
DIHE CHI1 1 2 3 4
DIHE OMEGA 2 6 8 9
PLAN PLANE1 1 2 2 6 7 8
RESI BOC
DIST ' CA ' 1 1.530 0.000 2 1.530 0.000 3 1.530 0.000 4 1.430 0.000 -
5 2.470 0.000
DIST ' CB1' 1 2.510 0.000 2 2.510 0.000 3 2.420 0.000
DIST ' CB2' 1 2.510 0.000 2 2.420 0.000
DIST ' CB3' 1 2.420 0.000
DIST ' OB ' 1 1.430 0.000 2 2.320 0.000 3 2.310 0.000
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
DIHE OMEGA 5 6 8 9
PLAN PLANE1 1 2 5 6 7 8
RESI CHS
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 9 2.460 0.000
DIST ' CA ' 1 1.530 0.000 2 2.530 0.000 8 1.530 0.000 9 2.420 0.000 -
10 2.530 0.000
DIST ' CB ' 1 1.530 0.000 2 2.530 0.000 3 2.530 0.000 7 2.530 0.000
DIST ' CG ' 1 1.530 0.000 2 1.530 0.000 3 2.530 0.000 4 2.530 0.000
DIST ' CD1' 1 2.530 0.000 2 1.530 0.000 4 2.530 0.000
DIST ' CD2' 2 1.530 0.000 3 2.530 0.000
DIST ' CE1' 1 2.530 0.000 2 1.530 0.000
DIST ' CE2' 1 1.530 0.000
DIST ' CZ '
DIST ' CH ' 1 1.430 0.000 2 1.520 0.000 3 2.510 0.000
DIST ' OH ' 1 2.420 0.000
DIST ' CM ' 1 1.520 0.000 2 2.390 0.000 3 2.430 0.000
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
CHIR CHIRL2 2 10 12 11
PLAN PLANE1 1 2 12 13 14 15
RESI DBZ
DIST ' N ' 1 1.470 0.000 2 2.510 0.000
DIST ' CB ' 1 1.530 0.000 2 2.530 0.000 8 2.530 0.000
DIST ' CG ' 1 1.390 0.000 2 2.410 0.000 4 2.410 0.000 7 1.390 0.000
DIST ' CD1' 1 1.390 0.000 2 2.410 0.000 6 2.410 0.000
DIST ' CE1' 1 1.390 0.000 2 2.410 0.000
DIST ' CZ ' 1 1.390 0.000 2 2.530 0.000
DIST ' CE2' 1 1.530 0.000 2 2.450 0.000 3 1.390 0.000
DIST ' CH2' 1 1.470 0.000 2 2.530 0.000
DIST ' NH2'
DIST ' CD2'
PLAN PLANE2 2 1 2 3 4 5 6 7 8 10
RESI FOG
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 9 2.460 0.000
DIST ' CA ' 1 1.520 0.000 2 2.510 0.000 8 1.530 0.000 9 2.450 0.000
DIST ' CB ' 1 1.520 0.000 2 2.530 0.000 6 2.530 0.000 7 2.510 0.000
DIST ' CG ' 1 1.390 0.000 2 2.410 0.000 4 2.410 0.000 5 1.390 0.000
DIST ' CD1' 1 1.390 0.000 2 2.410 0.000 4 2.410 0.000
DIST ' CE1' 1 1.390 0.000 2 2.410 0.000
DIST ' CZ ' 1 1.390 0.000 2 2.410 0.000
DIST ' CE2' 1 1.390 0.000
DIST ' CD2'
DIST ' CH ' 1 1.420 0.000 2 1.530 0.000 3 2.510 0.000
DIST ' OH ' 1 2.420 0.000
DIST ' CM ' 1 1.530 0.000 2 2.510 0.000
DIST ' CA1' 1 1.530 0.000 2 2.390 0.000 3 2.420 0.000
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
PLAN PLANE1 1 2 13 14 15 16
PLAN PLANE2 2 1 3 4 5 6 7 8 9
RESI FRF
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 9 2.460 0.000
DIST ' CA ' 1 1.530 0.000 2 2.510 0.000 8 1.520 0.000 9 2.450 0.000
DIST ' CB ' 1 1.530 0.000 2 2.530 0.000 3 2.530 0.000 7 2.530 0.000
DIST ' CG ' 1 1.390 0.000 2 1.390 0.000 3 2.410 0.000
DIST ' CD1' 1 2.410 0.000 2 1.390 0.000 3 2.410 0.000
DIST ' CD2' 2 1.390 0.000 3 2.410 0.000
DIST ' CE1' 1 2.410 0.000 2 1.390 0.000
DIST ' CE2' 1 1.390 0.000
DIST ' CZ '
DIST ' CT ' 1 1.470 0.000 2 2.460 0.000
DIST ' N1 ' 1 1.470 0.000 2 2.460 0.000 9 2.460 0.000
DIST ' CA1' 1 1.530 0.000 2 2.510 0.000 8 1.520 0.000 9 2.390 0.000 -
10 2.420 0.000
DIST ' CB1' 1 1.530 0.000 2 2.530 0.000 3 2.530 0.000 7 2.490 0.000
DIST ' CG1' 1 1.390 0.000 2 1.390 0.000 3 2.410 0.000
DIST ' CD3' 1 2.410 0.000 2 1.390 0.000 4 2.410 0.000
DIST ' CD4' 2 1.390 0.000 3 2.410 0.000
DIST ' CE3' 1 2.410 0.000 2 1.390 0.000
DIST ' CE4' 1 1.390 0.000
DIST ' CZ1'
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
DIHE PHI -1 1 2 10
DIHE PSI 11 12 20 22
DIHE OMEGA 12 20 22 23
CHIR CHIRL2 11 12 20 13
PLAN PLANE1 1 2 12 20 21 22
PLAN PLANE2 2 1 3 4 5 6 7 8 9
PLAN PLANE3 2 1 13 14 15 16 17 18 19
RESI IPH
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 10 2.460 0.000
DIST ' CA ' 1 1.520 0.000 2 2.510 0.000 9 1.520 0.000 10 2.390 0.000 -
11 2.420 0.000
DIST ' CB ' 1 1.530 0.000 2 2.530 0.000 3 2.530 0.000 8 2.490 0.000
DIST ' CG ' 1 1.390 0.000 2 1.390 0.000 3 2.410 0.000 4 2.410 0.000
DIST ' CD1' 1 2.410 0.000 2 1.390 0.000 4 2.410 0.000
DIST ' CD2' 2 1.390 0.000 3 2.410 0.000
DIST ' CE1' 1 2.410 0.000 2 1.390 0.000 3 2.400 0.000
DIST ' CE2' 1 1.390 0.000 2 2.400 0.000
DIST ' CZ ' 1 1.380 0.000
DIST ' I '
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
DIHE PHI -1 1 2 11
DIHE PSI 1 2 11 13
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 11 13 14
PLAN PLANE1 1 2 2 11 12 13
PLAN PLANE2 2 1 3 4 5 6 7 8 9 10
RESI NOR
DIST ' N ' 1 1.420 0.000 2 2.540 0.000 9 2.430 0.000
DIST ' CA ' 1 1.510 0.000 2 2.460 0.000 8 1.390 0.000 9 2.340 0.000 -
10 2.500 0.000
DIST ' CB ' 1 1.540 0.000 2 2.500 0.000 3 2.500 0.000 7 2.510 0.000
DIST ' CG ' 1 1.540 0.000 2 1.540 0.000 3 2.530 0.000
DIST ' CD1' 1 2.540 0.000 2 1.540 0.000 4 2.570 0.000
DIST ' CD2' 2 1.540 0.000 3 2.540 0.000
DIST ' CE1' 1 2.540 0.000 2 1.540 0.000
DIST ' CE2' 1 1.540 0.000
DIST ' CZ '
DIST ' CH ' 1 1.400 0.000 2 1.540 0.000 3 2.340 0.000
DIST ' OH ' 1 2.420 0.000
DIST ' CI ' 1 1.230 0.000 2 1.400 0.000 3 2.300 0.000
DIST ' OG ' 1 2.200 0.000
DIST ' OI ' 1 1.460 0.000 2 2.460 0.000 3 2.460 0.000
DIST ' CN ' 1 1.550 0.000 2 1.530 0.000
DIST ' CM1' 1 2.550 0.000
DIST ' CM2'
CHIR CHIRL2 2 10 12 11
PLAN PLANE1 1 2 10 12 13 14
RESI PHA
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 9 2.460 0.000
DIST ' CA ' 1 1.530 0.000 2 2.530 0.000 8 1.530 0.000 9 2.420 0.000 -
10 2.530 0.000
DIST ' CB ' 1 1.530 0.000 2 2.530 0.000 3 2.530 0.000 7 2.530 0.000
DIST ' CG ' 1 1.390 0.000 2 1.390 0.000 3 2.410 0.000 4 2.410 0.000
DIST ' CD1' 1 2.410 0.000 2 1.390 0.000 4 2.410 0.000
DIST ' CD2' 2 1.390 0.000 3 2.410 0.000
DIST ' CE1' 1 2.410 0.000 2 1.390 0.000
DIST ' CE2' 1 1.390 0.000
DIST ' CZ '
DIST ' CH ' 1 1.430 0.000 2 1.520 0.000 3 2.510 0.000
DIST ' OH ' 1 2.420 0.000
DIST ' CM ' 1 1.520 0.000 2 2.390 0.000 3 2.430 0.000
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
CHIR CHIRL2 2 10 12 11
PLAN PLANE1 1 2 12 13 14 15
PLAN PLANE2 2 1 3 4 5 6 7 8 9
RESI SMC
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 5 2.460 0.000
DIST ' CA ' 1 1.520 0.000 2 2.510 0.000 4 1.520 0.000 5 2.390 0.000 -
6 2.420 0.000
DIST ' CB ' 1 1.820 0.000 2 2.980 0.000 3 2.490 0.000
DIST ' SG ' 1 1.820 0.000
DIST ' CS '
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
DIHE PHI -1 1 2 6
DIHE PSI 1 2 6 8
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE OMEGA 2 6 8 9
PLAN PLANE1 1 2 2 6 7 8
RESI SO4
DIST ' O1 ' 1 1.450 0.000 2 2.380 0.000 3 2.380 0.000 4 2.380 0.000
DIST ' S ' 1 1.450 0.000 2 1.450 0.000 3 1.450 0.000
DIST ' O2 ' 1 2.380 0.000 2 2.380 0.000
DIST ' O3 ' 1 2.380 0.000
DIST ' O4 '
RESI SRP
DIST ' N ' 1 1.470 0.000 2 2.460 0.000 8 2.460 0.000
DIST ' CA ' 1 1.510 0.000 2 2.420 0.000 7 1.520 0.000 8 2.390 0.000 -
9 2.420 0.000
DIST ' CB ' 1 1.430 0.000 2 2.400 0.000 6 2.490 0.000
DIST ' OG ' 1 1.500 0.000 2 2.450 0.000 3 2.450 0.000 4 2.450 0.000
DIST ' P ' 1 1.500 0.000 2 1.500 0.000 3 1.500 0.000
DIST ' O1 '
DIST ' O2 '
DIST ' O3 '
DIST ' C ' 1 1.230 0.000 2 1.320 0.000 3 2.440 0.000
DIST ' O ' 1 2.240 0.000
PLAN PLANE1 1 2 2 9 10 11
RESI NAG
DIST ' C1 ' 1 1.530 0.000 2 2.520 0.000 4 2.480 0.000 8 2.450 0.000 -
11 1.460 0.000
DIST ' C2 ' 1 1.540 0.000 2 2.500 0.000 5 2.460 0.000 7 1.480 0.000 -
8 2.420 0.000 10 2.410 0.000
DIST ' C3 ' 1 1.540 0.000 2 2.480 0.000 6 2.440 0.000 7 1.450 0.000 -
8 2.430 0.000
DIST ' C4 ' 1 1.550 0.000 2 2.570 0.000 6 2.380 0.000 7 1.470 0.000
DIST ' C5 ' 1 1.520 0.000 6 2.410 0.000 7 1.460 0.000 8 2.400 0.000
DIST ' C6 ' 6 2.360 0.000 7 1.390 0.000
DIST ' C7 ' 1 1.510 0.000 2 1.380 0.000 7 1.220 0.000
DIST ' C8 ' 1 2.410 0.000 6 2.400 0.000
DIST ' N2 ' 5 2.290 0.000
DIST ' O3 '
DIST ' O4 '
DIST ' O5 '
DIST ' O6 '
DIST ' O7 '
CHIR CHIRL2 1 2 9 3
CHIR CHIRL3 2 3 4 10
CHIR CHIRL4 3 4 11 5
CHIR CHIRL5 4 5 12 6
PLAN PLANE2 2 1 7 8 9 14
RESI ETO
DIST ' CH3' 1 1.530 0.000 2 2.420 0.000
DIST ' CH2' 1 1.430 0.000
DIST ' OH '
RESI MEH
DIST ' N ' -2 1.329 0.014 -1 2.250 0.027 1 1.458 0.019 2 2.455 0.034 -
8 2.462 0.047
DIST ' CA ' -3 2.435 0.030 1 1.530 0.020 2 2.822 0.043 7 1.525 0.021 -
8 2.401 0.032 9 2.425 0.034
DIST ' CB ' 1 1.822 0.020 2 2.850 0.000 6 2.504 0.038
DIST ' SG ' 1 2.080 0.000 2 2.850 0.000
DIST ' SD ' 1 1.810 0.000 2 2.490 0.000
DIST ' CE ' 1 1.530 0.000 2 2.420 0.000
DIST ' CZ ' 1 1.430 0.000
DIST ' OH '
DIST ' C ' 1 1.231 0.020
DIST ' O '
DIHE PHI -1 1 2 9
DIHE PSI 1 2 9 11
DIHE CHI1 1 2 3 4
DIHE CHI2 2 3 4 5
DIHE CHI3 3 4 5 6
DIHE CHI4 4 5 6 7
DIHE CHI5 5 6 7 8
DIHE OMEGA 2 9 11 12
PLAN PLANE1 1 2 2 9 10 11
END
ATOM ' C' -
2.31 1.02 1.5886 0.865 -
20.8439 10.2075 0.5687 51.6512 -
0.2156 1.5
ATOM ' F' -
11.0424 7.3740 4.1346 0.4399 -
4.6538 0.3053 12.0546 31.2809 -
1.0097 2.4
ATOM ' H' -
0.489918 0.262003 0.196767 0.049879 -
20.6593 7.74039 49.5519 2.20159 -
0.001305 1.0
ATOM ' I' -
20.1472 18.9949 7.5138 2.2735 -
4.3470 0.3814 27.7659 66.8776 -
4.0172 1.59
ATOM ' N' -
12.2126 3.1322 2.0125 1.1663 -
0.0057 9.8933 28.9975 0.5826 -
-11.529 1.35
ATOM ' O' -
3.0485 2.2868 1.5463 0.867 -
13.2771 5.7011 0.3239 32.9089 -
0.2508 1.35
ATOM ' P' -
6.4345 4.1791 1.78 1.4908 -
1.9067 27.157 0.526 68.1645 -
1.1149 1.59
ATOM ' S' -
6.9053 5.2034 1.4379 1.5863 -
1.4679 22.2151 0.2536 56.172 -
0.8669 1.59
ATOM 'FE' -
11.0424 7.3740 4.1346 0.4399 -
4.6538 0.3053 12.0546 31.2809 -
1.0097 2.4
ATOM 'SE' -
17.0006 5.8196 3.9731 4.3543 -
2.4098 0.2726 15.2372 43.8163 -
2.8409 2.4
ATOM 'ZN' -
11.9719 7.3862 6.4668 1.394 -
2.9946 0.2031 7.0826 18.0995 -
0.7807 2.4
END