Project ID: plumID:21.030
Source: nspe/ab.dat

#! vim:ft=plumed

#alphaD- cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-1.57
ATOMS2=1,32,31,29 REFERENCE2=-1.57
ATOMS3=29,55,54,52 REFERENCE3=-1.57
ATOMS4=52,78,77,75 REFERENCE4=-1.57
ATOMS5=75,101,100,98 REFERENCE5=-1.57
ATOMS6=98,124,123,121 REFERENCE6=-1.57
ATOMS7=121,147,146,144 REFERENCE7=-1.57
ATOMS8=144,170,169,167 REFERENCE8=-1.57
ATOMS9=167,193,192,190 REFERENCE9=-1.57
ATOMS10=190,216,215,213 REFERENCE10=-1.57
ATOMS11=213,239,238,236 REFERENCE11=-1.57
ATOMS12=26,24,4,3 REFERENCE12=3.14
ATOMS13=3,1,32,31 REFERENCE13=3.14
ATOMS14=31,29,55,54 REFERENCE14=3.14
ATOMS15=54,52,78,77 REFERENCE15=3.14
ATOMS16=77,75,101,100 REFERENCE16=3.14
ATOMS17=100,98,124,123 REFERENCE17=3.14
ATOMS18=123,121,147,146 REFERENCE18=3.14
ATOMS19=146,144,170,169 REFERENCE19=3.14
ATOMS20=169,167,193,192 REFERENCE20=3.14
ATOMS21=192,190,216,215 REFERENCE21=3.14
ATOMS22=215,213,239,238 REFERENCE22=3.14
ATOMS23=238,236,261,259 REFERENCE23=3.14
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=alpha_d_minus
... ALPHABETA

#alphaD- trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-1.57
ATOMS2=1,32,31,29 REFERENCE2=-1.57
ATOMS3=29,55,54,52 REFERENCE3=-1.57
ATOMS4=52,78,77,75 REFERENCE4=-1.57
ATOMS5=75,101,100,98 REFERENCE5=-1.57
ATOMS6=98,124,123,121 REFERENCE6=-1.57
ATOMS7=121,147,146,144 REFERENCE7=-1.57
ATOMS8=144,170,169,167 REFERENCE8=-1.57
ATOMS9=167,193,192,190 REFERENCE9=-1.57
ATOMS10=190,216,215,213 REFERENCE10=-1.57
ATOMS11=213,239,238,236 REFERENCE11=-1.57
ATOMS12=26,24,4,3 REFERENCE12=3.14
ATOMS13=3,1,32,31 REFERENCE13=3.14
ATOMS14=31,29,55,54 REFERENCE14=3.14
ATOMS15=54,52,78,77 REFERENCE15=3.14
ATOMS16=77,75,101,100 REFERENCE16=3.14
ATOMS17=100,98,124,123 REFERENCE17=3.14
ATOMS18=123,121,147,146 REFERENCE18=3.14
ATOMS19=146,144,170,169 REFERENCE19=3.14
ATOMS20=169,167,193,192 REFERENCE20=3.14
ATOMS21=192,190,216,215 REFERENCE21=3.14
ATOMS22=215,213,239,238 REFERENCE22=3.14
ATOMS23=238,236,261,259 REFERENCE23=3.14
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=alpha_d_minus_trans
... ALPHABETA

#alphaD+ cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=1.57
ATOMS2=1,32,31,29 REFERENCE2=1.57
ATOMS3=29,55,54,52 REFERENCE3=1.57
ATOMS4=52,78,77,75 REFERENCE4=1.57
ATOMS5=75,101,100,98 REFERENCE5=1.57
ATOMS6=98,124,123,121 REFERENCE6=1.57
ATOMS7=121,147,146,144 REFERENCE7=1.57
ATOMS8=144,170,169,167 REFERENCE8=1.57
ATOMS9=167,193,192,190 REFERENCE9=1.57
ATOMS10=190,216,215,213 REFERENCE10=1.57
ATOMS11=213,239,238,236 REFERENCE11=1.57
ATOMS12=26,24,4,3 REFERENCE12=3.14
ATOMS13=3,1,32,31 REFERENCE13=3.14
ATOMS14=31,29,55,54 REFERENCE14=3.14
ATOMS15=54,52,78,77 REFERENCE15=3.14
ATOMS16=77,75,101,100 REFERENCE16=3.14
ATOMS17=100,98,124,123 REFERENCE17=3.14
ATOMS18=123,121,147,146 REFERENCE18=3.14
ATOMS19=146,144,170,169 REFERENCE19=3.14
ATOMS20=169,167,193,192 REFERENCE20=3.14
ATOMS21=192,190,216,215 REFERENCE21=3.14
ATOMS22=215,213,239,238 REFERENCE22=3.14
ATOMS23=238,236,261,259 REFERENCE23=3.14
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=alpha_d_plus
... ALPHABETA

#alphaD+ trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=1.57
ATOMS2=1,32,31,29 REFERENCE2=1.57
ATOMS3=29,55,54,52 REFERENCE3=1.57
ATOMS4=52,78,77,75 REFERENCE4=1.57
ATOMS5=75,101,100,98 REFERENCE5=1.57
ATOMS6=98,124,123,121 REFERENCE6=1.57
ATOMS7=121,147,146,144 REFERENCE7=1.57
ATOMS8=144,170,169,167 REFERENCE8=1.57
ATOMS9=167,193,192,190 REFERENCE9=1.57
ATOMS10=190,216,215,213 REFERENCE10=1.57
ATOMS11=213,239,238,236 REFERENCE11=1.57
ATOMS12=26,24,4,3 REFERENCE12=3.14
ATOMS13=3,1,32,31 REFERENCE13=3.14
ATOMS14=31,29,55,54 REFERENCE14=3.14
ATOMS15=54,52,78,77 REFERENCE15=3.14
ATOMS16=77,75,101,100 REFERENCE16=3.14
ATOMS17=100,98,124,123 REFERENCE17=3.14
ATOMS18=123,121,147,146 REFERENCE18=3.14
ATOMS19=146,144,170,169 REFERENCE19=3.14
ATOMS20=169,167,193,192 REFERENCE20=3.14
ATOMS21=192,190,216,215 REFERENCE21=3.14
ATOMS22=215,213,239,238 REFERENCE22=3.14
ATOMS23=238,236,261,259 REFERENCE23=3.14
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=alpha_d_plus_trans
... ALPHABETA

# alpha+ cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=0.87
ATOMS2=1,32,31,29 REFERENCE2=0.87
ATOMS3=29,55,54,52 REFERENCE3=0.87
ATOMS4=52,78,77,75 REFERENCE4=0.87
ATOMS5=75,101,100,98 REFERENCE5=0.87
ATOMS6=98,124,123,121 REFERENCE6=0.87
ATOMS7=121,147,146,144 REFERENCE7=0.87
ATOMS8=144,170,169,167 REFERENCE8=0.87
ATOMS9=167,193,192,190 REFERENCE9=0.87
ATOMS10=190,216,215,213 REFERENCE10=0.87
ATOMS11=213,239,238,236 REFERENCE11=0.87
ATOMS12=26,24,4,3 REFERENCE12=1.0
ATOMS13=3,1,32,31 REFERENCE13=1.0
ATOMS14=31,29,55,54 REFERENCE14=1.0
ATOMS15=54,52,78,77 REFERENCE15=1.0
ATOMS16=77,75,101,100 REFERENCE16=1.0
ATOMS17=100,98,124,123 REFERENCE17=1.0
ATOMS18=123,121,147,146 REFERENCE18=1.0
ATOMS19=146,144,170,169 REFERENCE19=1.0
ATOMS20=169,167,193,192 REFERENCE20=1.0
ATOMS21=192,190,216,215 REFERENCE21=1.0
ATOMS22=215,213,239,238 REFERENCE22=1.0
ATOMS23=238,236,261,259 REFERENCE23=1.0
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=alpha_plus
... ALPHABETA

# alpha+ trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=0.87
ATOMS2=1,32,31,29 REFERENCE2=0.87
ATOMS3=29,55,54,52 REFERENCE3=0.87
ATOMS4=52,78,77,75 REFERENCE4=0.87
ATOMS5=75,101,100,98 REFERENCE5=0.87
ATOMS6=98,124,123,121 REFERENCE6=0.87
ATOMS7=121,147,146,144 REFERENCE7=0.87
ATOMS8=144,170,169,167 REFERENCE8=0.87
ATOMS9=167,193,192,190 REFERENCE9=0.87
ATOMS10=190,216,215,213 REFERENCE10=0.87
ATOMS11=213,239,238,236 REFERENCE11=0.87
ATOMS12=26,24,4,3 REFERENCE12=1.0
ATOMS13=3,1,32,31 REFERENCE13=1.0
ATOMS14=31,29,55,54 REFERENCE14=1.0
ATOMS15=54,52,78,77 REFERENCE15=1.0
ATOMS16=77,75,101,100 REFERENCE16=1.0
ATOMS17=100,98,124,123 REFERENCE17=1.0
ATOMS18=123,121,147,146 REFERENCE18=1.0
ATOMS19=146,144,170,169 REFERENCE19=1.0
ATOMS20=169,167,193,192 REFERENCE20=1.0
ATOMS21=192,190,216,215 REFERENCE21=1.0
ATOMS22=215,213,239,238 REFERENCE22=1.0
ATOMS23=238,236,261,259 REFERENCE23=1.0
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=alpha_plus_trans
... ALPHABETA

# alpha- cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-0.87
ATOMS2=1,32,31,29 REFERENCE2=-0.87
ATOMS3=29,55,54,52 REFERENCE3=-0.87
ATOMS4=52,78,77,75 REFERENCE4=-0.87
ATOMS5=75,101,100,98 REFERENCE5=-0.87
ATOMS6=98,124,123,121 REFERENCE6=-0.87
ATOMS7=121,147,146,144 REFERENCE7=-0.87
ATOMS8=144,170,169,167 REFERENCE8=-0.87
ATOMS9=167,193,192,190 REFERENCE9=-0.87
ATOMS10=190,216,215,213 REFERENCE10=-0.87
ATOMS11=213,239,238,236 REFERENCE11=-0.87
ATOMS12=26,24,4,3 REFERENCE12=-1.0
ATOMS13=3,1,32,31 REFERENCE13=-1.0
ATOMS14=31,29,55,54 REFERENCE14=-1.0
ATOMS15=54,52,78,77 REFERENCE15=-1.0
ATOMS16=77,75,101,100 REFERENCE16=-1.0
ATOMS17=100,98,124,123 REFERENCE17=-1.0
ATOMS18=123,121,147,146 REFERENCE18=-1.0
ATOMS19=146,144,170,169 REFERENCE19=-1.0
ATOMS20=169,167,193,192 REFERENCE20=-1.0
ATOMS21=192,190,216,215 REFERENCE21=-1.0
ATOMS22=215,213,239,238 REFERENCE22=-1.0
ATOMS23=238,236,261,259 REFERENCE23=-1.0
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=alpha_minus
... ALPHABETA

# alpha- trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-0.87
ATOMS2=1,32,31,29 REFERENCE2=-0.87
ATOMS3=29,55,54,52 REFERENCE3=-0.87
ATOMS4=52,78,77,75 REFERENCE4=-0.87
ATOMS5=75,101,100,98 REFERENCE5=-0.87
ATOMS6=98,124,123,121 REFERENCE6=-0.87
ATOMS7=121,147,146,144 REFERENCE7=-0.87
ATOMS8=144,170,169,167 REFERENCE8=-0.87
ATOMS9=167,193,192,190 REFERENCE9=-0.87
ATOMS10=190,216,215,213 REFERENCE10=-0.87
ATOMS11=213,239,238,236 REFERENCE11=-0.87
ATOMS12=26,24,4,3 REFERENCE12=-1.0
ATOMS13=3,1,32,31 REFERENCE13=-1.0
ATOMS14=31,29,55,54 REFERENCE14=-1.0
ATOMS15=54,52,78,77 REFERENCE15=-1.0
ATOMS16=77,75,101,100 REFERENCE16=-1.0
ATOMS17=100,98,124,123 REFERENCE17=-1.0
ATOMS18=123,121,147,146 REFERENCE18=-1.0
ATOMS19=146,144,170,169 REFERENCE19=-1.0
ATOMS20=169,167,193,192 REFERENCE20=-1.0
ATOMS21=192,190,216,215 REFERENCE21=-1.0
ATOMS22=215,213,239,238 REFERENCE22=-1.0
ATOMS23=238,236,261,259 REFERENCE23=-1.0
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=alpha_minus_trans
... ALPHABETA

#c7beta+ cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=2.09
ATOMS2=1,32,31,29 REFERENCE2=2.09
ATOMS3=29,55,54,52 REFERENCE3=2.09
ATOMS4=52,78,77,75 REFERENCE4=2.09
ATOMS5=75,101,100,98 REFERENCE5=2.09
ATOMS6=98,124,123,121 REFERENCE6=2.09
ATOMS7=121,147,146,144 REFERENCE7=2.09
ATOMS8=144,170,169,167 REFERENCE8=2.09
ATOMS9=167,193,192,190 REFERENCE9=2.09
ATOMS10=190,216,215,213 REFERENCE10=2.09
ATOMS11=213,239,238,236 REFERENCE11=2.09
ATOMS12=26,24,4,3 REFERENCE12=-1.3
ATOMS13=3,1,32,31 REFERENCE13=-1.3
ATOMS14=31,29,55,54 REFERENCE14=-1.3
ATOMS15=54,52,78,77 REFERENCE15=-1.3
ATOMS16=77,75,101,100 REFERENCE16=-1.3
ATOMS17=100,98,124,123 REFERENCE17=-1.3
ATOMS18=123,121,147,146 REFERENCE18=-1.3
ATOMS19=146,144,170,169 REFERENCE19=-1.3
ATOMS20=169,167,193,192 REFERENCE20=-1.3
ATOMS21=192,190,216,215 REFERENCE21=-1.3
ATOMS22=215,213,239,238 REFERENCE22=-1.3
ATOMS23=238,236,261,259 REFERENCE23=-1.3
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=c7beta_plus
... ALPHABETA

#c7beta+ trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=2.09
ATOMS2=1,32,31,29 REFERENCE2=2.09
ATOMS3=29,55,54,52 REFERENCE3=2.09
ATOMS4=52,78,77,75 REFERENCE4=2.09
ATOMS5=75,101,100,98 REFERENCE5=2.09
ATOMS6=98,124,123,121 REFERENCE6=2.09
ATOMS7=121,147,146,144 REFERENCE7=2.09
ATOMS8=144,170,169,167 REFERENCE8=2.09
ATOMS9=167,193,192,190 REFERENCE9=2.09
ATOMS10=190,216,215,213 REFERENCE10=2.09
ATOMS11=213,239,238,236 REFERENCE11=2.09
ATOMS12=26,24,4,3 REFERENCE12=-1.3
ATOMS13=3,1,32,31 REFERENCE13=-1.3
ATOMS14=31,29,55,54 REFERENCE14=-1.3
ATOMS15=54,52,78,77 REFERENCE15=-1.3
ATOMS16=77,75,101,100 REFERENCE16=-1.3
ATOMS17=100,98,124,123 REFERENCE17=-1.3
ATOMS18=123,121,147,146 REFERENCE18=-1.3
ATOMS19=146,144,170,169 REFERENCE19=-1.3
ATOMS20=169,167,193,192 REFERENCE20=-1.3
ATOMS21=192,190,216,215 REFERENCE21=-1.3
ATOMS22=215,213,239,238 REFERENCE22=-1.3
ATOMS23=238,236,261,259 REFERENCE23=-1.3
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=c7beta_plus_trans
... ALPHABETA

#c7beta- cis
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-2.09
ATOMS2=1,32,31,29 REFERENCE2=-2.09
ATOMS3=29,55,54,52 REFERENCE3=-2.09
ATOMS4=52,78,77,75 REFERENCE4=-2.09
ATOMS5=75,101,100,98 REFERENCE5=-2.09
ATOMS6=98,124,123,121 REFERENCE6=-2.09
ATOMS7=121,147,146,144 REFERENCE7=-2.09
ATOMS8=144,170,169,167 REFERENCE8=-2.09
ATOMS9=167,193,192,190 REFERENCE9=-2.09
ATOMS10=190,216,215,213 REFERENCE10=-2.09
ATOMS11=213,239,238,236 REFERENCE11=-2.09
ATOMS12=26,24,4,3 REFERENCE12=1.3
ATOMS13=3,1,32,31 REFERENCE13=1.3
ATOMS14=31,29,55,54 REFERENCE14=1.3
ATOMS15=54,52,78,77 REFERENCE15=1.3
ATOMS16=77,75,101,100 REFERENCE16=1.3
ATOMS17=100,98,124,123 REFERENCE17=1.3
ATOMS18=123,121,147,146 REFERENCE18=1.3
ATOMS19=146,144,170,169 REFERENCE19=1.3
ATOMS20=169,167,193,192 REFERENCE20=1.3
ATOMS21=192,190,216,215 REFERENCE21=1.3
ATOMS22=215,213,239,238 REFERENCE22=1.3
ATOMS23=238,236,261,259 REFERENCE23=1.3
ATOMS24=4,3,1,32 REFERENCE24=0
ATOMS25=32,31,29,55 REFERENCE25=0
ATOMS26=55,54,52,78 REFERENCE26=0
ATOMS27=78,77,75,101 REFERENCE27=0
ATOMS28=101,100,98,124 REFERENCE28=0
ATOMS29=124,123,121,147 REFERENCE29=0
ATOMS30=147,146,144,170 REFERENCE30=0
ATOMS31=170,169,167,193 REFERENCE31=0
ATOMS32=193,192,190,216 REFERENCE32=0
ATOMS33=216,215,213,239 REFERENCE33=0
ATOMS34=239,238,236,261 REFERENCE34=0
LABEL=c7beta_minus
... ALPHABETA

#c7beta+ trans
ALPHABETA ...
ATOMS1=24,4,3,1 REFERENCE1=-2.09
ATOMS2=1,32,31,29 REFERENCE2=-2.09
ATOMS3=29,55,54,52 REFERENCE3=-2.09
ATOMS4=52,78,77,75 REFERENCE4=-2.09
ATOMS5=75,101,100,98 REFERENCE5=-2.09
ATOMS6=98,124,123,121 REFERENCE6=-2.09
ATOMS7=121,147,146,144 REFERENCE7=-2.09
ATOMS8=144,170,169,167 REFERENCE8=-2.09
ATOMS9=167,193,192,190 REFERENCE9=-2.09
ATOMS10=190,216,215,213 REFERENCE10=-2.09
ATOMS11=213,239,238,236 REFERENCE11=-2.09
ATOMS12=26,24,4,3 REFERENCE12=1.3
ATOMS13=3,1,32,31 REFERENCE13=1.3
ATOMS14=31,29,55,54 REFERENCE14=1.3
ATOMS15=54,52,78,77 REFERENCE15=1.3
ATOMS16=77,75,101,100 REFERENCE16=1.3
ATOMS17=100,98,124,123 REFERENCE17=1.3
ATOMS18=123,121,147,146 REFERENCE18=1.3
ATOMS19=146,144,170,169 REFERENCE19=1.3
ATOMS20=169,167,193,192 REFERENCE20=1.3
ATOMS21=192,190,216,215 REFERENCE21=1.3
ATOMS22=215,213,239,238 REFERENCE22=1.3
ATOMS23=238,236,261,259 REFERENCE23=1.3
ATOMS24=4,3,1,32 REFERENCE24=3.14
ATOMS25=32,31,29,55 REFERENCE25=3.14
ATOMS26=55,54,52,78 REFERENCE26=3.14
ATOMS27=78,77,75,101 REFERENCE27=3.14
ATOMS28=101,100,98,124 REFERENCE28=3.14
ATOMS29=124,123,121,147 REFERENCE29=3.14
ATOMS30=147,146,144,170 REFERENCE30=3.14
ATOMS31=170,169,167,193 REFERENCE31=3.14
ATOMS32=193,192,190,216 REFERENCE32=3.14
ATOMS33=216,215,213,239 REFERENCE33=3.14
ATOMS34=239,238,236,261 REFERENCE34=3.14
LABEL=c7beta_minus_trans
... ALPHABETA