Supplementary material to DeMaeyer et al. (1997) Folding & Design 2, 53-66. Notes: This material is provided by R. L. Dunbrack and was transcribed from pdf file available from Folding & Design. I have added a rotamer designation for each listed conformation according to the following code: p ~= +60 m ~= -60 t ~= 180 0 ~= 0 e ~= 120 (eclipsed conformation) f ~= -120 (eclipsed conformation) Chi3 for Leucine rotamers was deleted, since Leu does not have a chi3. Res Rot chi1 chi2 chi3 chi4 C pp 63.5 60.0 0.0 0.0 C pt 63.5 180.0 0.0 0.0 C pm 63.5 -60.0 0.0 0.0 C tp -179.6 60.0 0.0 0.0 C tt -179.6 180.0 0.0 0.0 C tm -179.6 -60.0 0.0 0.0 C mp -65.2 60.0 0.0 0.0 C mt -65.2 180.0 0.0 0.0 C mm -65.2 -60.0 0.0 0.0 D pp 63.7 60.0 0.0 0.0 D pt 63.7 0.0 0.0 0.0 D pm 63.7 120.0 0.0 0.0 D tp -169.1 60.0 0.0 0.0 D tt -169.1 0.0 0.0 0.0 D tm -169.1 120.0 0.0 0.0 D mp -68.3 60.0 0.0 0.0 D mt -68.3 0.0 0.0 0.0 D mm -68.3 120.0 0.0 0.0 E ptp 69.8 -179.0 60.0 0.0 E ptt 69.8 -179.0 180.0 0.0 E ptm 69.8 -179.0 -60.0 0.0 E pmp 63.0 -80.4 60.0 0.0 E pmt 63.0 -80.4 180.0 0.0 E pmm 63.0 -80.4 -60.0 0.0 E tpp -173.6 70.6 60.0 0.0 E tpt -173.6 70.6 180.0 0.0 E tpm -173.6 70.6 -60.0 0.0 E ttp -176.2 175.4 60.0 0.0 E ttt -176.2 175.4 180.0 0.0 E ttm -176.2 175.4 -60.0 0.0 E tmp -159.0 -84.0 60.0 0.0 E tmt -159.0 -84.0 180.0 0.0 E tmm -159.0 -84.0 -60.0 0.0 E mpp -55.6 77.0 60.0 0.0 E mpt -55.6 77.0 180.0 0.0 E mpm -55.6 77.0 -60.0 0.0 E mtp -69.6 -177.2 60.0 0.0 E mtt -69.6 -177.2 180.0 0.0 E mtm -69.6 -177.2 -60.0 0.0 E mmp -64.6 -69.1 60.0 0.0 E mmt -64.6 -69.1 180.0 0.0 E mmm -64.6 -69.1 -60.0 0.0 F pp 66.0 90.7 0.0 0.0 F tp -179.2 78.9 0.0 0.0 F mp -66.3 94.3 0.0 0.0 F mt -65.0 155.0 0.0 0.0 F mt -80.0 200.0 0.0 0.0 H pp 48.0 85.9 0.0 0.0 H pm 67.9 -80.5 0.0 0.0 H tp -177.3 100.5 0.0 0.0 H tm -175.2 -87.7 0.0 0.0 H mp -69.8 96.1 0.0 0.0 H mt -75.0 173.0 0.0 0.0 H mm -62.8 -74.3 0.0 0.0 I pp 61.0 100.0 0.0 0.0 I pt 61.7 163.8 0.0 0.0 I tp -174.8 72.1 0.0 0.0 I tt -166.6 166.0 0.0 0.0 I mp -72.0 100.0 0.0 0.0 I mt -60.9 168.7 0.0 0.0 I mm -59.6 -64.1 0.0 0.0 K pppp 58.1 74.9 60.0 60.0 K pppt 58.1 74.9 60.0 180.0 K pptp 58.1 74.9 180.0 60.0 K pptt 58.1 74.9 180.0 180.0 K pptm 58.1 74.9 180.0 -60.0 K ptpp 71.5 -174.3 60.0 60.0 K ptpt 71.5 -174.3 60.0 180.0 K pttp 71.5 -174.3 180.0 60.0 K pttt 71.5 -174.3 180.0 180.0 K pttm 71.5 -174.3 180.0 -60.0 K ptmt 71.5 -174.3 -60.0 180.0 K ptmm 71.5 -174.3 -60.0 -60.0 K pmtp 104.0 -74.6 180.0 60.0 K pmtt 104.0 -74.6 180.0 180.0 K pmtm 104.0 -74.6 180.0 -60.0 K pmmt 104.0 -74.6 -60.0 180.0 K pmmm 104.0 -74.6 -60.0 -60.0 K tppp 173.4 83.4 60.0 60.0 K tppt 173.4 83.4 60.0 180.0 K tptp 173.4 83.4 180.0 60.0 K tptt 173.4 83.4 180.0 180.0 K tptm 173.4 83.4 180.0 -60.0 K ttpt -172.1 175.3 60.0 180.0 K tttp -172.1 175.3 180.0 60.0 K tttt -172.1 175.3 180.0 180.0 K tttm -172.1 175.3 180.0 -60.0 K ttmt -172.1 175.3 -60.0 180.0 K ttmm -172.1 175.3 60.0 60.0 K ttmm -172.1 175.3 -60.0 -60.0 K tmtp -175.8 -63.9 180.0 60.0 K tmtt -175.8 -63.9 180.0 180.0 K tmtm -175.8 -63.9 180.0 -60.0 K tmmt -175.8 -63.9 -60.0 180.0 K tmmm -175.8 -63.9 -60.0 -60.0 K mppp -104.0 74.6 60.0 60.0 K mppp -83.0 93.0 60.0 60.0 K mppt -104.0 74.6 60.0 180.0 K mppt -83.0 93.0 60.0 180.0 K mptp -104.0 74.6 180.0 60.0 K mptp -83.0 93.0 180.0 60.0 K mptt -104.0 74.6 180.0 180.0 K mptt -83.0 93.0 180.0 180.0 K mptm -104.0 74.6 180.0 -60.0 K mptm -83.0 93.0 180.0 -60.0 K mtpp -68.9 -178.4 60.0 60.0 K mtpt -68.9 -178.4 60.0 180.0 K mttp -68.9 -178.4 180.0 60.0 K mttt -68.9 -178.4 180.0 180.0 K mttm -68.9 -178.4 180.0 -60.0 K mtmt -68.9 -178.4 -60.0 180.0 K mtmm -68.9 -178.4 -60.0 -60.0 K mmtp -58.1 -74.9 180.0 60.0 K mmtt -58.1 -74.9 180.0 180.0 K mmtm -58.1 -74.9 180.0 -60.0 K mmmt -58.1 -74.9 -60.0 180.0 K mmmm -58.1 -74.9 -60.0 -60.0 L ee -128.0 -106.0 0.0 0.0 L ee -120.0 120.0 0.0 0.0 L ee -101.0 -6.0 0.0 0.0 L ep -137.0 50.0 0.0 0.0 L et -120.0 180.0 0.0 0.0 L pp 44.3 60.4 0.0 0.0 L te -180.0 0.0 0.0 0.0 L te -180.0 120.0 0.0 0.0 L tp -176.4 63.1 0.0 0.0 L tt -150.0 -150.0 0.0 0.0 L tt -165.3 168.2 0.0 0.0 L tm -150.0 -90.0 0.0 0.0 L me -60.0 120.0 0.0 0.0 L mp -100.0 34.0 0.0 0.0 L mt -90.0 160.0 0.0 0.0 L mt -64.9 176.0 0.0 0.0 L mm -85.0 -60.0 0.0 0.0 M ppp 60.0 60.0 60.0 0.0 M ppt 60.0 60.0 180.0 0.0 M ptp 60.0 180.0 60.0 0.0 M ptt 60.0 180.0 180.0 0.0 M ptm 60.0 180.0 -60.0 0.0 M pmt 60.0 -60.0 180.0 0.0 M pmm 60.0 -60.0 -60.0 0.0 M tpp 178.9 60.0 60.0 0.0 M tpt 178.9 60.0 180.0 0.0 M ttp 178.9 179.0 60.0 0.0 M ttt 178.9 179.0 180.0 0.0 M ttm 178.9 179.0 -60.0 0.0 M tmp 180.0 -140.0 60.0 0.0 M tmt 180.0 -140.0 180.0 0.0 M tmt 178.9 -60.0 180.0 0.0 M tmm 180.0 -140.0 -60.0 0.0 M tmm 178.9 -60.0 -60.0 0.0 M mpp -64.5 60.0 60.0 0.0 M mpt -64.5 60.0 180.0 0.0 M mtp -78.3 -174.7 60.0 0.0 M mtt -78.3 -174.7 180.0 0.0 M mtm -78.3 -174.7 -60.0 0.0 M mmt -64.5 -68.5 180.0 0.0 M mmm -64.5 -68.5 -75.6 0.0 N p0 63.9 0.0 0.0 0.0 N pe 63.9 120.0 0.0 0.0 N pf 63.9 -120.0 0.0 0.0 N pp 63.9 60.0 0.0 0.0 N pt 63.9 180.0 0.0 0.0 N pm 63.9 -60.0 0.0 0.0 N t0 -177.1 0.0 0.0 0.0 N te -177.1 120.0 0.0 0.0 N tf -177.1 -120.0 0.0 0.0 N tp -177.1 60.0 0.0 0.0 N tt -177.1 180.0 0.0 0.0 N tm -177.1 -60.0 0.0 0.0 N m0 -68.3 0.0 0.0 0.0 N me -68.3 120.0 0.0 0.0 N mf -68.3 -120.0 0.0 0.0 N mp -68.3 60.0 0.0 0.0 N mt -68.3 180.0 0.0 0.0 N mm -68.3 -60.0 0.0 0.0 Q pt0 70.8 -165.6 0.0 0.0 Q pte 70.8 -165.6 120.0 0.0 Q ptf 70.8 -165.6 -120.0 0.0 Q ptp 70.8 -165.6 60.0 0.0 Q ptt 70.8 -165.6 180.0 0.0 Q ptm 70.8 -165.6 -60.0 0.0 Q tp0 167.5 70.9 0.0 0.0 Q tp0 -179.4 67.3 0.0 0.0 Q tpe 167.5 70.9 120.0 0.0 Q tpe -179.4 67.3 120.0 0.0 Q tpf 167.5 70.9 -120.0 0.0 Q tpf -179.4 67.3 -120.0 0.0 Q tpp 167.5 70.9 60.0 0.0 Q tpp -179.4 67.3 60.0 0.0 Q tpt 167.5 70.9 180.0 0.0 Q tpt -179.4 67.3 180.0 0.0 Q tpm 167.5 70.9 -60.0 0.0 Q tpm -179.4 67.3 -60.0 0.0 Q tt0 -174.6 -177.7 0.0 0.0 Q tte -174.6 -177.7 120.0 0.0 Q ttf -174.6 -177.7 -120.0 0.0 Q ttp -174.6 -177.7 60.0 0.0 Q ttt -174.6 -177.7 180.0 0.0 Q ttm -174.6 -177.7 -60.0 0.0 Q tm0 -167.0 -90.0 0.0 0.0 Q tme -167.0 -90.0 120.0 0.0 Q tmf -167.0 -90.0 -120.0 0.0 Q tmp -167.0 -90.0 60.0 0.0 Q tmt -167.0 -90.0 180.0 0.0 Q tmm -167.0 -90.0 -60.0 0.0 Q mp0 -140.0 140.0 0.0 0.0 Q mp0 -73.0 81.0 0.0 0.0 Q mpe -140.0 140.0 120.0 0.0 Q mpe -73.0 81.0 120.0 0.0 Q mpf -140.0 140.0 -120.0 0.0 Q mpf -73.0 81.0 -120.0 0.0 Q mpp -140.0 140.0 60.0 0.0 Q mpp -73.0 81.0 60.0 0.0 Q mpt -140.0 140.0 180.0 0.0 Q mpt -73.0 81.0 180.0 0.0 Q mpm -140.0 140.0 -60.0 0.0 Q mpm -73.0 81.0 -60.0 0.0 Q mt0 -66.7 -178.5 0.0 0.0 Q mte -66.7 -178.5 120.0 0.0 Q mtf -66.7 -178.5 -120.0 0.0 Q mtp -66.7 -178.5 60.0 0.0 Q mtt -66.7 -178.5 180.0 0.0 Q mtm -66.7 -178.5 -60.0 0.0 Q mm0 -58.7 -63.8 0.0 0.0 Q mm0 -51.3 -90.4 0.0 0.0 Q mme -58.7 -63.8 120.0 0.0 Q mme -51.3 -90.4 120.0 0.0 Q mmf -58.7 -63.8 -120.0 0.0 Q mmf -51.3 -90.4 -120.0 0.0 Q mmp -58.7 -63.8 60.0 0.0 Q mmp -51.3 -90.4 60.0 0.0 Q mmt -58.7 -63.8 180.0 0.0 Q mmt -51.3 -90.4 180.0 0.0 Q mmm -58.7 -63.8 -60.0 0.0 Q mmm -51.3 -90.4 -60.0 0.0 R pppp 57.1 82.8 60.0 60.0 R pppt 57.1 82.8 60.0 180.0 R pptp 57.1 82.8 180.0 60.0 R pptt 57.1 82.8 180.0 180.0 R pptm 57.1 82.8 180.0 -60.0 R ppmt 57.1 82.8 -60.0 180.0 R ppmm 57.1 82.8 -60.0 -60.0 R ptpp 80.0 175.6 60.0 60.0 R ptpt 80.0 175.6 60.0 180.0 R pttp 80.0 175.6 180.0 60.0 R pttt 80.0 175.6 180.0 180.0 R pttm 80.0 175.6 180.0 -60.0 R ptmt 80.0 175.6 -60.0 180.0 R ptmm 80.0 175.6 -60.0 -60.0 R pmtp 76.9 -54.2 180.0 60.0 R pmtt 76.9 -54.2 180.0 180.0 R pmtm 76.9 -54.2 180.0 -60.0 R pmmt 76.9 -54.2 -60.0 180.0 R pmmm 76.9 -54.2 -60.0 -60.0 R tppp 178.2 69.5 60.0 60.0 R tppt 178.2 69.5 60.0 180.0 R tptp 178.2 69.5 180.0 60.0 R tptt 178.2 69.5 180.0 180.0 R tptm 178.2 69.5 180.0 -60.0 R tpmt 178.2 69.5 -60.0 180.0 R tpmm 178.2 69.5 -60.0 -60.0 R ttpp -174.1 -178.6 60.0 60.0 R ttpt -174.1 -178.6 60.0 180.0 R tttp -174.1 -178.6 180.0 60.0 R tttt -174.1 -178.6 180.0 180.0 R tttm -174.1 -178.6 180.0 -60.0 R ttmt -174.1 -178.6 -60.0 180.0 R ttmm -174.1 -178.6 -60.0 -60.0 R tmtp -178.2 -69.5 180.0 60.0 R tmtt -178.2 -69.5 180.0 180.0 R tmtm -178.2 -69.5 180.0 -60.0 R tmmt -178.2 -69.5 -60.0 180.0 R tmmm -178.2 -69.5 -60.0 -60.0 R mppp -76.9 54.2 60.0 60.0 R mppt -76.9 54.2 60.0 180.0 R mptp -76.9 54.2 180.0 60.0 R mptt -76.9 54.2 180.0 180.0 R mptm -76.9 54.2 180.0 -60.0 R mtpp -99.0 -169.0 60.0 60.0 R mtpp -67.6 176.9 60.0 60.0 R mtpt -99.0 -169.0 60.0 180.0 R mtpt -67.6 176.9 60.0 180.0 R mttp -99.0 -169.0 180.0 60.0 R mttp -67.6 176.9 180.0 60.0 R mttt -99.0 -169.0 180.0 180.0 R mttt -67.6 176.9 180.0 180.0 R mttm -99.0 -169.0 180.0 -60.0 R mttm -67.6 176.9 180.0 -60.0 R mtmt -99.0 -169.0 -60.0 180.0 R mtmt -67.6 176.9 -60.0 180.0 R mtmm -99.0 -169.0 -60.0 -60.0 R mtmm -67.6 176.9 -60.0 -60.0 R mmtp -67.0 -71.7 180.0 60.0 R mmtt -67.0 -71.7 180.0 180.0 R mmtm -67.0 -71.7 180.0 -60.0 R mmmt -67.0 -71.7 -60.0 180.0 R mmmm -67.0 -71.7 -60.0 -60.0 S pp 64.7 60.0 0.0 0.0 S pt 64.7 180.0 0.0 0.0 S pm 64.7 -60.0 0.0 0.0 S tp -176.1 60.0 0.0 0.0 S tt -176.1 180.0 0.0 0.0 S tm -176.1 -60.0 0.0 0.0 S mp -69.7 60.0 0.0 0.0 S mt -69.7 180.0 0.0 0.0 S mm -69.7 -60.0 0.0 0.0 T pp 62.7 60.0 0.0 0.0 T pt 62.7 180.0 0.0 0.0 T pm 62.7 -60.0 0.0 0.0 T tp -169.5 60.0 0.0 0.0 T tt -169.5 180.0 0.0 0.0 T tm -169.5 -60.0 0.0 0.0 T mp -59.7 60.0 0.0 0.0 T mt -59.7 180.0 0.0 0.0 T mm -59.7 -60.0 0.0 0.0 V e 120.0 0.0 0.0 0.0 V p 69.3 0.0 0.0 0.0 V t 173.5 0.0 0.0 0.0 V m -63.4 0.0 0.0 0.0 W pp 62.2 112.5 0.0 0.0 W pm 64.8 -88.9 0.0 0.0 W tp -179.5 87.5 0.0 0.0 W tm -177.3 -95.1 0.0 0.0 W mp -70.4 100.5 0.0 0.0 W mm -73.3 -87.7 0.0 0.0 Y pp 63.3 89.1 0.0 0.0 Y tp -179.7 71.9 0.0 0.0 Y m0 -67.2 -1.0 0.0 0.0 Y mp -66.5 96.6 0.0 0.0