REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-DEC-04 1WV9 COMPND RHODANESE HOMOLOG TT1651; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: HYPOTHETICAL PROTEIN TTHA0613; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR E.MIZOHATA,M.HATTORI,A.TATSUGUCHI,T.TERADA,S.KURAMITSU, AUTHOR 2 M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 3 INITIATIVE (RSGI) HET MSE A 81 8 HET MSE B 1 8 HET MSE B 81 8 >ARG.A 2 -0.25 21.41 1.17 -2.90 21.96 2.61 -1.57 21.69 1.89 2 0 1000.00 -999 ? >LYS^A 3 1.12 24.86 -2.84 6.21 25.85 -3.64 3.67 25.35 -3.24 2 0 1000.00 -999 ? >VAL^A 4 -2.64 24.61 -3.47 -4.03 25.37 -1.98 -3.33 24.99 -2.72 3 0 1000.00 -999 ? >ARG~A 5 -3.64 19.54 -7.07 -4.72 16.91 -5.87 -4.18 18.22 -6.47 2 0 1000.00 -999 ? >PRO~A 6 -6.00 25.74 -9.80 -6.60 24.76 -7.91 -6.30 25.25 -8.85 3 0 1000.00 -999 ? >GLU~A 7 -7.41 19.92 -7.71 -6.40 19.18 -9.40 -6.91 19.55 -8.55 2 0 1000.00 -999 ? >GLU~A 8 -6.04 20.42 -3.67 -4.20 20.13 -2.67 -5.12 20.28 -3.17 2 0 1000.00 -999 ? >LEU~A 9 -9.64 26.38 -4.17 -8.24 27.95 -4.54 -8.94 27.17 -4.35 3 0 1000.00 -999 ? >PRO~A 10 -13.22 23.90 -4.94 -12.57 24.48 -2.91 -12.90 24.19 -3.93 3 0 1000.00 -999 ? >ALA~A 11 -12.26 22.31 0.38 -11.34 21.12 0.34 -11.80 21.72 0.36 2 0 1000.00 -999 ? >LEU~A 12 -8.84 25.57 1.44 -6.94 24.60 1.66 -7.89 25.08 1.55 3 0 1000.00 -999 ? >LEU~A 13 -13.27 28.05 -0.08 -12.30 29.09 -1.71 -12.79 28.57 -0.89 3 0 1000.00 -999 ? >GLU~A 14 -16.60 24.54 1.25 -17.61 22.72 0.84 -17.10 23.63 1.05 2 0 1000.00 -999 ? >GLU~A 15 -11.94 23.31 5.31 -10.06 22.33 5.22 -11.00 22.82 5.27 2 0 1000.00 -999 ? >GLY.A 16 -12.94 29.24 6.17 -12.32 28.80 5.97 -12.63 29.02 6.07 1 0 1000.00 -999 ? >VAL.A 17 -9.27 29.64 5.25 -8.76 28.36 3.53 -9.01 29.00 4.39 3 0 1000.00 -999 ? >LEU^A 18 -7.38 33.88 6.53 -7.36 36.05 6.54 -7.37 34.97 6.54 3 0 1000.00 -999 ? >VAL^A 19 -7.14 34.28 1.83 -8.15 33.77 -0.05 -7.65 34.02 0.89 3 0 1000.00 -999 ? >VAL^A 20 -4.42 36.91 1.62 -3.09 37.43 3.30 -3.76 37.17 2.46 3 0 1000.00 -999 ? >ASP^A 21 -4.75 39.80 -2.16 -4.19 40.50 -4.06 -4.47 40.15 -3.11 2 0 1000.00 -999 ? >VAL.A 22 0.00 39.81 -1.73 0.96 37.91 -1.45 0.48 38.86 -1.59 3 0 1000.00 -999 ? >ARG.A 23 -2.68 39.94 -7.28 -5.66 40.47 -7.67 -4.17 40.21 -7.48 2 0 1000.00 -999 ? >PRO.A 24 1.68 44.85 -7.42 0.89 44.66 -5.35 1.28 44.75 -6.38 3 0 1000.00 -999 ? >ALA.A 25 -1.22 48.43 -5.44 -0.78 49.87 -5.25 -1.00 49.15 -5.35 2 0 1000.00 -999 ? >ARG.A 28 -4.65 45.54 -5.72 -6.72 43.36 -5.06 -5.69 44.45 -5.39 2 0 1000.00 -999 ? >SER.A 29 -5.35 42.85 -12.57 -3.29 43.01 -13.82 -4.32 42.93 -13.20 2 0 1000.00 -999 ? >THR.A 30 -7.34 39.61 -12.39 -5.90 38.02 -12.43 -6.62 38.82 -12.41 2 0 1000.00 -999 ? >PRO.A 31 -11.61 39.70 -12.18 -9.97 39.63 -10.67 -10.79 39.67 -11.42 3 0 1000.00 -999 ? >LEU.A 32 -10.11 39.10 -5.43 -8.59 38.66 -4.00 -9.35 38.88 -4.72 3 0 1000.00 -999 ? >PRO.A 33 -10.88 33.89 -7.18 -12.16 35.56 -6.43 -11.52 34.73 -6.80 3 0 1000.00 -999 ? >PHE.A 34 -10.29 33.43 -3.07 -9.44 31.34 -4.73 -9.86 32.39 -3.90 3 0 1000.00 -999 ? >ALA.A 35 -12.97 37.46 0.32 -14.01 37.15 1.35 -13.49 37.30 0.84 2 0 1000.00 -999 ? >ALA.A 36 -9.28 38.27 0.69 -8.31 37.97 -0.44 -8.80 38.12 0.12 2 0 1000.00 -999 ? >GLU^A 37 -6.73 41.68 5.04 -5.94 41.24 6.92 -6.34 41.46 5.98 2 0 1000.00 -999 ? >TRP^A 38 -3.51 43.65 -2.04 -2.48 47.42 -1.58 -3.00 45.54 -1.81 3 0 1000.00 -999 ? >VAL.A 39 -1.28 42.80 2.22 -1.14 41.89 4.21 -1.21 42.35 3.21 3 0 1000.00 -999 ? >PRO~A 40 0.15 45.76 -0.53 0.77 43.73 0.06 0.46 44.75 -0.24 3 0 1000.00 -999 ? >LEU~A 41 5.17 41.10 -1.69 6.60 39.48 -1.53 5.89 40.29 -1.61 3 0 1000.00 -999 ? >GLU~A 42 4.51 46.50 -0.75 3.50 46.85 -2.59 4.01 46.67 -1.67 2 0 1000.00 -999 ? >LYS~A 43 4.79 45.41 3.29 -0.65 48.01 3.80 2.07 46.71 3.55 2 0 1000.00 -999 ? >ILE~A 44 4.56 40.51 3.54 3.77 39.25 3.57 4.16 39.88 3.56 3 0 1000.00 -999 ? >GLN~A 45 8.84 41.94 0.95 10.07 42.18 -0.77 9.46 42.06 0.09 2 0 1000.00 -999 ? >LYS.A 46 8.94 44.90 6.07 8.07 49.75 2.12 8.51 47.32 4.09 2 0 1000.00 -999 ? >GLY.A 47 7.09 42.88 8.69 6.84 43.57 8.33 6.97 43.22 8.51 1 0 1000.00 -999 ? >GLU.A 48 5.06 47.26 6.65 5.18 49.24 5.89 5.12 48.25 6.27 2 0 1000.00 -999 ? >HIS.A 49 2.05 41.27 8.18 2.97 39.59 9.02 2.51 40.43 8.60 3 0 1000.00 -999 ? >GLY.A 50 -0.98 42.25 11.06 -1.12 41.90 10.33 -1.05 42.08 10.70 1 0 1000.00 -999 ? >LEU.A 51 -1.46 38.12 8.66 -1.52 38.49 6.53 -1.49 38.30 7.60 3 0 1000.00 -999 ? >PRO.A 52 -5.56 36.31 10.61 -3.78 37.12 11.69 -4.67 36.71 11.15 3 0 1000.00 -999 ? >ARG.A 53 0.80 34.01 14.75 3.69 34.78 14.12 2.24 34.39 14.43 2 0 1000.00 -999 ? >ARG.A 54 -7.36 33.24 10.87 -10.21 32.27 10.28 -8.79 32.76 10.57 2 0 1000.00 -999 ? >PRO.A 55 -4.40 27.49 9.36 -3.77 29.57 8.92 -4.09 28.53 9.14 3 0 1000.00 -999 ? >LEU^A 56 -2.19 32.99 5.75 -2.20 34.38 7.43 -2.20 33.69 6.59 3 0 1000.00 -999 ? >LEU^A 57 -4.91 30.74 1.09 -4.91 29.63 -0.77 -4.91 30.18 0.16 3 0 1000.00 -999 ? >LEU^A 58 -0.15 34.24 0.13 0.86 34.21 2.04 0.35 34.23 1.08 3 0 1000.00 -999 ? >VAL^A 59 -2.57 34.65 -3.77 -4.76 34.63 -3.51 -3.67 34.64 -3.64 3 0 1000.00 -999 ? >CYH.A 60 -1.25 36.72 -6.62 1.10 35.20 -6.36 -0.08 35.96 -6.49 2 0 1000.00 -999 ? >GLU.A 61 -1.37 38.58 -12.49 -3.41 38.12 -12.61 -2.39 38.35 -12.55 2 0 1000.00 -999 ? >LYS.A 62 0.73 34.33 -11.44 1.53 38.44 -14.67 1.13 36.39 -13.06 2 0 1000.00 -999 ? >GLY~A 63 2.11 32.80 -8.23 2.52 33.41 -8.54 2.31 33.10 -8.39 1 0 1000.00 -999 ? >LEU~A 64 5.85 35.65 -9.27 6.44 35.03 -11.26 6.14 35.34 -10.27 3 0 1000.00 -999 ? >LEU~A 65 4.01 38.38 -5.37 4.67 39.97 -6.68 4.34 39.18 -6.02 3 0 1000.00 -999 ? >SER~A 66 2.66 34.79 -3.10 1.67 33.00 -4.37 2.17 33.90 -3.73 2 0 1000.00 -999 ? >GLN~A 67 6.54 30.04 -3.96 6.86 28.93 -5.74 6.70 29.48 -4.85 2 0 1000.00 -999 ? >VAL~A 68 7.96 34.52 -1.78 9.24 35.99 -2.76 8.60 35.25 -2.27 3 0 1000.00 -999 ? >ALA~A 69 5.64 36.11 0.77 4.38 36.90 0.46 5.01 36.50 0.62 2 0 1000.00 -999 ? >ALA~A 70 4.60 32.58 1.63 4.20 31.50 0.63 4.40 32.04 1.13 2 0 1000.00 -999 ? >LEU~A 71 9.40 32.26 1.74 11.35 31.35 2.01 10.37 31.80 1.87 3 0 1000.00 -999 ? >TYR~A 72 9.27 37.47 3.44 11.35 38.76 2.05 10.31 38.12 2.74 3 0 1000.00 -999 ? >LEU~A 73 4.04 34.35 6.24 2.74 36.03 5.83 3.39 35.19 6.04 3 0 1000.00 -999 ? >GLU~A 74 6.55 29.03 5.64 7.10 27.04 6.13 6.83 28.04 5.88 2 0 1000.00 -999 ? >ALA~A 75 9.81 32.33 9.31 10.80 33.34 8.74 10.30 32.83 9.02 2 0 1000.00 -999 ? >GLU~A 76 7.54 36.75 10.56 6.31 38.40 10.09 6.92 37.57 10.33 2 0 1000.00 -999 ? >GLY~A 77 5.89 31.22 12.50 5.58 31.61 11.86 5.74 31.42 12.18 1 0 1000.00 -999 ? >TYR.A 78 2.19 33.96 9.86 1.34 36.35 11.01 1.76 35.15 10.43 3 0 1000.00 -999 ? >GLU.A 79 0.00 26.31 8.64 -1.44 25.16 9.69 -0.72 25.73 9.16 2 0 1000.00 -999 ? >ALA^A 80 1.14 29.96 5.00 1.99 31.17 4.65 1.57 30.56 4.82 2 0 1000.00 -999 ? >MET?A 81 0.50 28.43 1.56 -3.12 26.46 2.71 -1.31 27.45 2.14 2 0 1000.00 -999 ? >SER^A 82 -0.03 29.69 -1.99 2.13 29.26 -3.02 1.05 29.47 -2.50 2 0 1000.00 -999 ? >LEU^A 83 -3.36 29.98 -5.47 -5.07 29.40 -6.67 -4.21 29.69 -6.07 3 0 1000.00 -999 ? >GLU.A 84 0.93 25.32 -8.89 2.29 23.82 -8.33 1.61 24.57 -8.61 2 0 1000.00 -999 ? >GLY~A 85 -0.12 29.23 -10.82 -0.25 29.61 -10.11 -0.18 29.42 -10.47 1 0 1000.00 -999 ? >GLY~A 86 -1.64 32.28 -9.20 -2.07 31.60 -9.48 -1.85 31.94 -9.34 1 0 1000.00 -999 ? >LEU~A 87 -5.67 34.83 -9.75 -6.24 35.66 -7.83 -5.96 35.25 -8.79 3 0 1000.00 -999 ? >GLN~A 88 -3.13 34.39 -14.67 -1.37 34.93 -15.73 -2.25 34.66 -15.20 2 0 1000.00 -999 ? >ALA~A 89 -4.36 28.70 -13.03 -3.63 28.02 -11.88 -3.99 28.36 -12.46 2 0 1000.00 -999 ? >LEU.A 90 -8.56 30.17 -11.33 -7.73 29.97 -9.33 -8.14 30.07 -10.33 3 0 1000.00 -999 ? >MET?B 1 -25.59 43.91 16.43 -24.90 46.55 14.56 -25.24 45.23 15.49 2 0 1000.00 -999 ? >ARG.B 2 -25.28 36.74 16.81 -25.50 33.72 16.30 -25.39 35.23 16.55 2 0 1000.00 -999 ? >LYS^B 3 -24.33 39.69 20.67 -27.02 44.28 21.80 -25.68 41.99 21.24 2 0 1000.00 -999 ? >VAL^B 4 -22.40 36.41 20.68 -20.91 35.62 19.29 -21.65 36.01 19.99 3 0 1000.00 -999 ? >ARG.B 5 -26.48 34.29 25.31 -27.19 32.71 22.77 -26.83 33.50 24.04 2 0 1000.00 -999 ? >PRO.B 6 -19.67 34.32 26.90 -20.33 33.13 25.13 -20.00 33.73 26.02 3 0 1000.00 -999 ? >GLU.B 7 -24.33 30.41 24.86 -25.71 31.17 26.28 -25.02 30.79 25.57 2 0 1000.00 -999 ? >GLU~B 8 -24.39 31.44 21.31 -25.38 33.15 20.55 -24.88 32.29 20.93 2 0 1000.00 -999 ? >LEU~B 9 -17.70 31.10 21.89 -16.00 32.41 21.81 -16.85 31.76 21.85 3 0 1000.00 -999 ? >PRO~B 10 -17.70 26.76 22.10 -17.66 27.83 20.15 -17.68 27.30 21.13 3 0 1000.00 -999 ? >ALA~B 11 -19.96 27.03 17.02 -21.46 27.25 17.22 -20.71 27.14 17.12 2 0 1000.00 -999 ? >LEU~B 12 -18.80 31.63 16.10 -20.42 33.01 15.90 -19.61 32.32 16.00 3 0 1000.00 -999 ? >LEU~B 13 -14.29 29.27 17.05 -13.43 30.71 18.42 -13.86 29.99 17.74 3 0 1000.00 -999 ? >GLU~B 14 -16.12 24.28 15.88 -17.40 22.68 16.50 -16.76 23.48 16.19 2 0 1000.00 -999 ? >GLU~B 15 -19.44 28.55 11.91 -20.92 30.09 12.10 -20.18 29.32 12.01 2 0 1000.00 -999 ? >GLY~B 16 -13.80 29.97 10.83 -14.42 30.40 11.06 -14.11 30.19 10.95 1 0 1000.00 -999 ? >VAL.B 17 -15.00 33.53 11.48 -16.54 33.47 13.03 -15.77 33.50 12.26 3 0 1000.00 -999 ? >LEU^B 18 -11.92 37.05 10.32 -9.96 37.96 10.30 -10.94 37.50 10.31 3 0 1000.00 -999 ? >VAL^B 19 -11.70 37.37 15.04 -11.78 36.29 16.94 -11.74 36.83 15.99 3 0 1000.00 -999 ? >VAL^B 20 -10.72 41.00 15.50 -11.03 42.41 13.85 -10.88 41.70 14.68 3 0 1000.00 -999 ? >ASP^B 21 -8.01 41.91 19.44 -7.61 42.87 21.30 -7.81 42.39 20.37 2 0 1000.00 -999 ? >VAL.B 22 -10.29 46.11 19.01 -12.43 46.00 18.70 -11.36 46.05 18.85 3 0 1000.00 -999 ? >ARG.B 23 -9.13 43.91 24.84 -7.28 41.47 24.84 -8.21 42.69 24.84 2 0 1000.00 -999 ? >PRO.B 24 -7.48 50.85 23.72 -6.71 49.27 22.35 -7.10 50.06 23.04 3 0 1000.00 -999 ? >ALA.B 25 -2.49 49.38 23.37 -1.31 50.13 22.76 -1.90 49.75 23.06 2 0 1000.00 -999 ? >SER.B 29 -7.18 42.82 30.24 -5.10 43.23 29.06 -6.14 43.02 29.65 2 0 1000.00 -999 ? >THR.B 30 -7.80 39.10 29.66 -9.94 38.87 29.83 -8.87 38.99 29.74 2 0 1000.00 -999 ? >PRO.B 31 -5.17 35.68 29.21 -6.10 37.15 27.83 -5.64 36.42 28.52 3 0 1000.00 -999 ? >LEU.B 32 -6.02 37.58 22.53 -6.99 38.04 20.66 -6.50 37.81 21.59 3 0 1000.00 -999 ? >PRO.B 33 -9.90 33.84 24.30 -7.88 33.81 23.38 -8.89 33.82 23.84 3 0 1000.00 -999 ? >PHE.B 34 -10.74 34.47 20.29 -12.61 34.47 22.37 -11.68 34.47 21.33 3 0 1000.00 -999 ? >ALA.B 35 -6.18 33.75 16.47 -6.07 32.69 15.40 -6.13 33.22 15.93 2 0 1000.00 -999 ? >ALA.B 36 -7.31 37.38 16.32 -7.70 38.16 17.56 -7.51 37.77 16.94 2 0 1000.00 -999 ? >GLU^B 37 -6.41 41.07 11.53 -7.20 40.87 9.58 -6.80 40.97 10.55 2 0 1000.00 -999 ? >TRP^B 38 -5.41 45.03 18.60 -3.39 48.18 17.36 -4.40 46.60 17.98 3 0 1000.00 -999 ? >VAL.B 39 -7.67 46.35 14.31 -8.60 45.94 12.36 -8.14 46.15 13.34 3 0 1000.00 -999 ? >PRO~B 40 -5.82 49.80 16.07 -7.87 48.98 16.02 -6.85 49.39 16.04 3 0 1000.00 -999 ? >LEU~B 41 -12.35 51.21 18.14 -14.51 51.13 18.30 -13.43 51.17 18.22 3 0 1000.00 -999 ? >GLU~B 42 -8.13 54.62 16.33 -6.74 55.55 15.02 -7.43 55.08 15.68 2 0 1000.00 -999 ? >LYS~B 43 -9.03 52.67 12.61 -4.95 48.37 11.72 -6.99 50.52 12.16 2 0 1000.00 -999 ? >ILE~B 44 -13.07 50.02 12.73 -13.57 48.63 12.80 -13.32 49.32 12.77 3 0 1000.00 -999 ? >GLN~B 45 -14.27 54.43 15.18 -14.70 55.61 16.92 -14.48 55.02 16.05 2 0 1000.00 -999 ? >LYS~B 46 -12.47 55.92 9.77 -7.87 58.13 13.50 -10.17 57.03 11.63 2 0 1000.00 -999 ? >GLY.B 47 -13.12 52.97 7.49 -12.38 53.22 7.76 -12.75 53.09 7.62 1 0 1000.00 -999 ? >GLU.B 48 -8.32 54.17 8.94 -7.17 55.89 9.42 -7.75 55.03 9.18 2 0 1000.00 -999 ? >HIS.B 49 -11.84 48.42 8.20 -13.58 48.03 7.11 -12.71 48.22 7.65 3 0 1000.00 -999 ? >GLY.B 50 -8.82 46.27 5.57 -9.17 45.98 6.25 -8.99 46.12 5.91 1 0 1000.00 -999 ? >LEU.B 51 -11.90 43.62 8.14 -11.41 43.85 10.24 -11.66 43.74 9.19 3 0 1000.00 -999 ? >PRO.B 52 -11.28 39.31 5.84 -11.79 41.28 4.95 -11.53 40.30 5.40 3 0 1000.00 -999 ? >ARG.B 53 -17.21 43.24 2.24 -18.53 45.98 2.05 -17.87 44.61 2.15 2 0 1000.00 -999 ? >ARG.B 54 -12.87 36.20 6.08 -12.26 33.21 6.37 -12.57 34.70 6.23 2 0 1000.00 -999 ? >PRO.B 55 -19.49 35.42 7.58 -18.05 37.06 8.00 -18.77 36.24 7.79 3 0 1000.00 -999 ? >LEU^B 56 -16.06 40.44 11.13 -14.94 41.17 9.42 -15.50 40.80 10.28 3 0 1000.00 -999 ? >LEU^B 57 -16.58 37.20 15.77 -17.25 36.64 17.75 -16.91 36.92 16.76 3 0 1000.00 -999 ? >LEU^B 58 -16.08 43.01 16.96 -16.28 43.94 15.03 -16.18 43.48 16.00 3 0 1000.00 -999 ? >VAL^B 59 -14.14 41.29 20.72 -13.25 39.32 20.31 -13.69 40.31 20.51 3 0 1000.00 -999 ? >CYH.B 60 -12.75 43.49 23.46 -14.68 45.50 23.98 -13.72 44.49 23.72 2 0 1000.00 -999 ? >GLU.B 61 -10.88 44.55 29.02 -9.46 43.18 28.24 -10.17 43.87 28.63 2 0 1000.00 -999 ? >LYS.B 62 -16.08 44.35 28.45 -13.47 47.01 32.50 -14.77 45.68 30.47 2 0 1000.00 -999 ? >GLY.B 63 -17.91 44.08 25.12 -17.70 44.81 25.40 -17.81 44.45 25.26 1 0 1000.00 -999 ? >LEU~B 64 -18.00 48.85 25.89 -18.68 49.13 27.94 -18.34 48.99 26.91 3 0 1000.00 -999 ? >LEU~B 65 -14.44 48.82 22.29 -13.50 50.08 23.77 -13.97 49.45 23.03 3 0 1000.00 -999 ? >SER~B 66 -16.61 45.82 19.91 -17.16 44.07 21.51 -16.88 44.95 20.71 2 0 1000.00 -999 ? >GLN~B 67 -22.61 46.66 21.03 -23.50 46.15 22.91 -23.06 46.40 21.97 2 0 1000.00 -999 ? >VAL~B 68 -19.60 50.06 18.17 -19.02 51.97 18.98 -19.31 51.01 18.58 3 0 1000.00 -999 ? >ALA~B 69 -17.15 48.85 15.53 -15.84 48.14 15.81 -16.49 48.49 15.67 2 0 1000.00 -999 ? >ALA~B 70 -19.86 46.31 14.75 -20.60 45.45 15.77 -20.23 45.88 15.26 2 0 1000.00 -999 ? >LEU~B 71 -22.83 50.14 14.95 -24.76 51.13 14.97 -23.79 50.63 14.96 3 0 1000.00 -999 ? >TYR~B 72 -18.22 52.56 12.95 -18.11 55.17 14.00 -18.17 53.87 13.48 3 0 1000.00 -999 ? >LEU~B 73 -17.78 46.52 10.52 -15.64 46.46 10.84 -16.71 46.49 10.68 3 0 1000.00 -999 ? >GLU~B 74 -23.29 45.33 11.56 -24.88 44.05 11.05 -24.08 44.69 11.30 2 0 1000.00 -999 ? >ALA~B 75 -22.88 49.87 7.68 -22.52 51.25 8.20 -22.70 50.56 7.94 2 0 1000.00 -999 ? >GLU~B 76 -18.32 50.37 5.76 -16.35 50.40 6.50 -17.33 50.38 6.13 2 0 1000.00 -999 ? >GLY.B 77 -22.15 45.73 4.24 -21.59 45.77 4.82 -21.87 45.75 4.53 1 0 1000.00 -999 ? >TYR.B 78 -17.82 44.48 6.76 -15.51 45.09 5.30 -16.66 44.79 6.03 3 0 1000.00 -999 ? >GLU.B 79 -22.77 38.54 9.34 -22.72 36.47 8.84 -22.74 37.51 9.09 2 0 1000.00 -999 ? >ALA^B 80 -20.02 41.85 12.15 -19.27 43.16 12.23 -19.65 42.50 12.19 2 0 1000.00 -999 ? >MET?B 81 -21.10 40.35 15.47 -20.75 36.34 14.27 -20.93 38.35 14.87 2 0 1000.00 -999 ? >SER^B 82 -19.88 41.05 19.00 -19.95 42.63 20.87 -19.92 41.84 19.93 2 0 1000.00 -999 ? >LEU^B 83 -17.27 38.30 22.09 -16.65 36.72 23.43 -16.96 37.51 22.76 3 0 1000.00 -999 ? >GLU.B 84 -23.47 39.54 25.73 -25.52 39.01 25.57 -24.50 39.28 25.65 2 0 1000.00 -999 ? >GLY.B 85 -19.67 40.32 27.86 -19.29 40.51 27.13 -19.48 40.42 27.49 1 0 1000.00 -999 ? >GLY.B 86 -16.40 40.96 26.09 -16.67 40.20 26.38 -16.53 40.58 26.23 1 0 1000.00 -999 ? >LEU.B 87 -11.92 39.24 26.45 -10.98 38.98 24.51 -11.45 39.11 25.48 3 0 1000.00 -999 ? >GLN.B 88 -12.14 41.32 31.44 -12.42 43.26 32.30 -12.28 42.29 31.87 2 0 1000.00 -999 ? >ALA.B 89 -16.81 37.58 30.67 -18.06 38.41 30.45 -17.43 37.99 30.56 2 0 1000.00 -999 ?