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		<angle-outlier atom0="N" atom1="CA" atom2="C" obs="117.960" z="5.10" mean="111.690" stdev="1.230"/>
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		<clash atom="HB1" dist="1.82" clashmag="0.61" cid="7"/>
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		<mog-bond-outlier atoms="O1,S" numobs="67" mean="1.44" stdev="0.06" mindiff="0.05" Zscore="2.93" obsval="1.62"/>
		<mog-bond-outlier atoms="O3,S" numobs="64" mean="1.48" stdev="0.08" mindiff="0.02" Zscore="-2.14" obsval="1.30"/>
	</ModelledSubgroup>
	<ModelledSubgroup mogul_bonds_rmsz="1.84" mogul_rmsz_numbonds="4" mogul_angles_rmsz="0.81" mogul_rmsz_numangles="6" model="1" chain="A" resnum="403" said="C" ent="2" seq="." icode=" " resname="SO4" altcode=" ">
		<mog-bond-outlier atoms="O1,S" numobs="67" mean="1.44" stdev="0.06" mindiff="0.05" Zscore="2.98" obsval="1.62"/>
		<mog-bond-outlier atoms="O3,S" numobs="64" mean="1.48" stdev="0.08" mindiff="0.02" Zscore="-2.11" obsval="1.30"/>
	</ModelledSubgroup>
	<ModelledSubgroup mogul_bonds_rmsz="1.87" mogul_rmsz_numbonds="4" mogul_angles_rmsz="0.84" mogul_rmsz_numangles="6" model="1" chain="A" resnum="404" said="D" ent="2" seq="." icode=" " resname="SO4" altcode=" ">
		<mog-bond-outlier atoms="O1,S" numobs="67" mean="1.44" stdev="0.06" mindiff="0.06" Zscore="3.08" obsval="1.63"/>
		<mog-bond-outlier atoms="O3,S" numobs="64" mean="1.48" stdev="0.08" mindiff="0.01" Zscore="-2.08" obsval="1.31"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="14" mogul_rmsz_numbonds="21" mogul_bonds_rmsz="2.43" mogul_rmsz_numangles="27" mogul_angles_rmsz="1.36" model="1" chain="A" resnum="401" said="E" ent="3" seq="." icode=" " resname="NMN" altcode=" ">
		<mog-bond-outlier atoms="O4R,C1R" numobs="25" mean="1.40" stdev="0.01" mindiff="0.03" Zscore="4.16" obsval="1.46"/>
		<mog-bond-outlier atoms="C2,N1" numobs="30" mean="1.35" stdev="0.01" mindiff="0.02" Zscore="6.04" obsval="1.41"/>
		<mog-bond-outlier atoms="C6,N1" numobs="314" mean="1.35" stdev="0.02" mindiff="0.00" Zscore="3.81" obsval="1.44"/>
		<mog-bond-outlier atoms="C4,C3" numobs="38254" mean="1.39" stdev="0.02" mindiff="0.00" Zscore="5.45" obsval="1.47"/>
		<mog-bond-outlier atoms="C5,C4" numobs="50000" mean="1.38" stdev="0.02" mindiff="0.00" Zscore="2.36" obsval="1.42"/>
		<mog-bond-outlier atoms="C6,C5" numobs="22253" mean="1.38" stdev="0.02" mindiff="0.00" Zscore="2.13" obsval="1.43"/>
		<mog-angle-outlier atoms="O1P,P,O5R" numobs="56" mean="106.67" stdev="2.61" mindiff="0.72" Zscore="2.23" obsval="112.49"/>
		<mog-angle-outlier atoms="C2,C3,C4" numobs="4814" mean="118.26" stdev="1.16" mindiff="0.00" Zscore="2.87" obsval="121.59"/>
		<mog-angle-outlier atoms="O7,C7,C3" numobs="2600" mean="119.60" stdev="1.22" mindiff="0.01" Zscore="-2.57" obsval="116.46"/>
		<mog-angle-outlier atoms="C3,C7,N7" numobs="2600" mean="117.74" stdev="1.23" mindiff="0.02" Zscore="2.57" obsval="120.90"/>
		<mog-angle-outlier atoms="C5,C4,C3" numobs="23746" mean="120.36" stdev="0.98" mindiff="0.00" Zscore="-2.47" obsval="117.94"/>
		<mog-angle-outlier atoms="C5,C6,N1" numobs="203" mean="120.38" stdev="1.36" mindiff="0.03" Zscore="-2.09" obsval="117.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="8" mogul_rmsz_numbonds="22" mogul_bonds_rmsz="1.75" mogul_rmsz_numangles="31" mogul_angles_rmsz="2.20" model="1" chain="A" resnum="501" said="F" ent="4" seq="." icode=" " resname="3B8" altcode=" ">
		<mog-bond-outlier atoms="C5,C4" numobs="12612" mean="1.37" stdev="0.02" mindiff="0.00" Zscore="2.51" obsval="1.42"/>
		<mog-bond-outlier atoms="C3,C4" numobs="11166" mean="1.37" stdev="0.02" mindiff="0.00" Zscore="2.29" obsval="1.41"/>
		<mog-bond-outlier atoms="C20,N12" numobs="3292" mean="1.33" stdev="0.02" mindiff="0.00" Zscore="2.43" obsval="1.37"/>
		<mog-bond-outlier atoms="C15,C14" numobs="12529" mean="1.39" stdev="0.02" mindiff="0.00" Zscore="2.80" obsval="1.44"/>
		<mog-bond-outlier atoms="C15,C16" numobs="12529" mean="1.39" stdev="0.02" mindiff="0.00" Zscore="2.06" obsval="1.43"/>
		<mog-bond-outlier atoms="C17,N18" numobs="1241" mean="1.32" stdev="0.01" mindiff="0.00" Zscore="3.70" obsval="1.37"/>
		<mog-angle-outlier atoms="C1,C2,C8" numobs="236" mean="120.44" stdev="0.82" mindiff="0.25" Zscore="-2.71" obsval="118.23"/>
		<mog-angle-outlier atoms="C14,C13,N19" numobs="29" mean="122.52" stdev="0.79" mindiff="0.41" Zscore="2.04" obsval="124.14"/>
		<mog-angle-outlier atoms="N19,C13,N18" numobs="1261" mean="117.03" stdev="1.35" mindiff="0.11" Zscore="-2.53" obsval="113.62"/>
		<mog-angle-outlier atoms="C13,C14,C20" numobs="47" mean="120.95" stdev="0.73" mindiff="0.62" Zscore="3.76" obsval="123.70"/>
		<mog-angle-outlier atoms="C15,C16,C8" numobs="1272" mean="119.21" stdev="1.79" mindiff="0.11" Zscore="2.34" obsval="123.40"/>
		<mog-angle-outlier atoms="C17,C16,C8" numobs="20" mean="121.23" stdev="0.35" mindiff="1.98" Zscore="-8.03" obsval="118.44"/>
		<mog-angle-outlier atoms="O7,C17,C16" numobs="20" mean="122.38" stdev="0.40" mindiff="1.10" Zscore="4.31" obsval="124.09"/>
		<mog-angle-outlier atoms="C13,N18,C17" numobs="25" mean="117.29" stdev="0.91" mindiff="0.56" Zscore="2.56" obsval="119.63"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="504" said="G" ent="5" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="1.94" clashmag="0.49" cid="12"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="575" said="G" ent="5" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.15" clashmag="0.45" cid="17"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="599" said="G" ent="5" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.09" clashmag="0.53" cid="10"/>
	</ModelledSubgroup>
	<ModelledEntityInstance bonds_rmsz="0.35" num_bonds_rmsz="2566" angles_rmsz="0.86" num_angles_rmsz="3475" absolute_sidechain_percentile="75.58" relative_sidechain_percentile="78.28" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="1" chain="A" ent="1"/>
	<programs>
		<program name="validation-pipeline" version="2.49" properties="PDB-resolution,PDB-resolution-low,PDB-revision-date,PDB-revision-number,protein-DNA-RNA-entities,percentilebins,PDB-Rfree,extended_pdbid,XMLcreationDate,PDB-deposition-date,PDB-R,pdbid,attemptedValidationSteps"/>
		<program name="molprobity" version="4-5-2 with Phenix2.0" properties="num-H-reduce,bonds_rmsz,RestypesNotcheckedForBondAngleGeometry,clash,psi,flippable-sidechain,rama,rota,clashscore,num_bonds_rmsz,relative_rama_percentile,angles_rmsz,phi,num_angles_rmsz,bond-outlier,percent-rota-outliers,absolute_rama_percentile,absolute_sidechain_percentile,relative_sidechain_percentile,angle-outlier,percent-rama-outliers"/>
		<program name="mogul" version="2022.3.0, CSD as543be (2022)" properties="mogul_rmsz_numbonds,mogul-bond-outlier,mogul_bonds_rmsz,mogul_rmsz_numangles,mogul-angle-outlier,mogul_angles_rmsz,mogul-torsion-outlier,mogul-ring-outlier"/>
		<program name="buster-report" version="wwPDB partial adaption of 1.1.7 (2018)" properties="ligands-for-buster-report"/>
		<program name="percentiles" version="20250101.v01 (using entries in the PDB archive January 1st 2025)" properties="absolute-percentile-clashscore,relative-percentile-percent-rota-outliers,relative-percentile-percent-rama-outliers,numPDBids-absolute-percentile-percent-rota-outliers,absolute-percentile-percent-rama-outliers,high-resol-relative-percentile-percent-rama-outliers,absolute-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,high-resol-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,relative-percentile-clashscore,high-resol-relative-percentile-clashscore"/>
	</programs>
</wwPDB-validation-information>
