REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-05 2EUC COMPND HYPOTHETICAL PROTEIN YFMB; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YFMB; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.BENACH,M.ABASHIDZE,S.JAYARAMAN,H.JANJUA,B.COOPER,X.RONG, AUTHOR 2 T.B.ACTON,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST AUTHOR 3 STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 56 8 HET MSE A 88 8 HET MSE B 1 8 HET MSE B 56 8 HET MSE B 88 8 >MET?A 1 42.93 58.88 23.24 40.28 59.28 26.56 41.61 59.08 24.90 2 0 1000.00 -999 ? >GLN.A 2 42.89 56.98 18.59 43.41 55.46 17.19 43.15 56.22 17.89 2 0 1000.00 -999 ? >TYR.A 3 35.22 60.07 19.48 32.44 59.96 19.84 33.83 60.01 19.66 3 0 1000.00 -999 ? >PHE.A 4 36.74 54.19 19.58 39.39 53.65 18.92 38.06 53.92 19.25 3 0 1000.00 -999 ? >SER~A 5 31.17 56.47 18.84 30.71 55.39 16.67 30.94 55.93 17.76 2 0 1000.00 -999 ? >PRO~A 6 27.91 56.92 21.66 28.94 55.25 20.65 28.42 56.08 21.15 3 0 1000.00 -999 ? >GLU~A 7 26.67 52.15 15.70 25.19 52.73 14.32 25.93 52.44 15.01 2 0 1000.00 -999 ? >GLN~A 8 32.26 53.07 16.23 34.03 54.18 15.81 33.14 53.63 16.02 2 0 1000.00 -999 ? >GLN~A 9 32.06 52.81 22.62 31.97 54.19 24.23 32.01 53.50 23.43 2 0 1000.00 -999 ? >TYR~A 10 25.47 48.63 20.29 23.10 47.18 20.16 24.28 47.90 20.23 3 0 1000.00 -999 ? >ASN~A 11 29.36 46.79 16.94 27.69 47.20 15.68 28.52 46.99 16.31 2 0 1000.00 -999 ? >ALA~A 12 32.26 45.95 20.17 33.27 47.03 20.54 32.77 46.49 20.36 2 0 1000.00 -999 ? >TRP~A 13 27.73 44.38 25.16 29.03 45.17 28.74 28.38 44.78 26.95 3 0 1000.00 -999 ? >ILE~A 14 27.36 42.70 20.32 25.96 42.70 20.85 26.66 42.70 20.59 3 0 1000.00 -999 ? >VAL~A 15 31.21 40.60 20.38 32.75 41.06 18.96 31.98 40.83 19.67 3 0 1000.00 -999 ? >SER~A 16 32.37 40.28 23.96 34.10 41.77 24.69 33.24 41.03 24.32 2 0 1000.00 -999 ? >ASP~A 17 27.75 40.09 25.26 27.01 40.00 27.21 27.38 40.05 26.24 2 0 1000.00 -999 ? >LEU~A 18 28.34 36.88 20.84 26.56 37.62 19.90 27.45 37.25 20.37 3 0 1000.00 -999 ? >VAL~A 19 31.67 34.99 22.90 33.67 35.74 23.20 32.67 35.36 23.05 3 0 1000.00 -999 ? >LYS~A 20 31.01 35.19 26.63 27.57 37.35 30.55 29.29 36.27 28.59 2 0 1000.00 -999 ? >GLN~A 21 25.87 35.23 26.72 24.36 36.21 25.67 25.12 35.72 26.20 2 0 1000.00 -999 ? >ILE~A 22 29.94 31.20 22.90 30.20 31.17 21.54 30.07 31.18 22.22 3 0 1000.00 -999 ? >PHE~A 23 33.53 30.83 28.49 35.45 30.03 30.33 34.49 30.43 29.41 3 0 1000.00 -999 ? >HIS~A 24 27.04 30.89 31.15 25.28 30.61 32.25 26.16 30.75 31.70 3 0 1000.00 -999 ? >LYS~A 25 27.02 27.31 27.67 21.98 27.24 25.28 24.50 27.27 26.48 2 0 1000.00 -999 ? >ARG~A 26 33.24 25.12 24.58 36.10 24.52 25.59 34.67 24.82 25.09 2 0 1000.00 -999 ? >ALA~A 27 31.32 25.68 30.55 32.44 26.59 31.05 31.88 26.14 30.80 2 0 1000.00 -999 ? >GLY.A 28 28.59 25.88 33.19 29.15 26.44 33.15 28.87 26.16 33.17 1 0 1000.00 -999 ? >CYH.A 29 29.59 29.03 35.10 32.40 28.81 35.12 30.99 28.92 35.11 2 0 1000.00 -999 ? >SER.A 30 30.82 32.26 33.45 30.36 33.81 35.30 30.59 33.03 34.37 2 0 1000.00 -999 ? >PRO.A 31 32.85 33.72 30.06 33.47 33.36 32.15 33.16 33.54 31.11 3 0 1000.00 -999 ? >GLY~A 32 37.01 35.57 33.47 36.84 35.66 32.56 36.92 35.61 33.01 1 0 1000.00 -999 ? >ILE~A 33 38.80 40.07 32.58 38.50 41.62 32.61 38.65 40.85 32.60 3 0 1000.00 -999 ? >HIS~A 34 44.08 36.47 31.22 45.81 36.02 30.13 44.95 36.24 30.67 3 0 1000.00 -999 ? >GLU~A 35 39.21 31.52 31.42 38.17 30.65 33.02 38.69 31.09 32.22 2 0 1000.00 -999 ? >LEU~A 36 36.27 35.87 28.35 34.45 36.17 27.22 35.36 36.02 27.79 3 0 1000.00 -999 ? >ALA~A 37 40.20 36.69 26.25 41.22 37.58 26.91 40.71 37.14 26.58 2 0 1000.00 -999 ? >VAL~A 38 42.23 33.60 25.40 43.86 32.72 26.53 43.04 33.16 25.97 3 0 1000.00 -999 ? >PHE~A 39 36.65 30.97 25.02 34.45 29.58 24.04 35.55 30.27 24.53 3 0 1000.00 -999 ? >ALA~A 40 38.13 34.39 21.95 37.68 35.79 22.26 37.90 35.09 22.11 2 0 1000.00 -999 ? >GLU~A 41 43.72 35.63 20.11 44.45 34.67 18.34 44.08 35.15 19.23 2 0 1000.00 -999 ? >GLU~A 42 41.65 29.27 22.35 42.33 27.89 23.82 41.99 28.58 23.08 2 0 1000.00 -999 ? >HIS~A 43 37.94 28.24 21.54 38.45 26.89 23.06 38.19 27.57 22.30 3 0 1000.00 -999 ? >PHE.A 44 35.24 32.07 18.26 33.35 30.24 19.23 34.30 31.16 18.75 3 0 1000.00 -999 ? >HIS.A 45 41.76 32.65 14.37 43.12 31.15 13.79 42.44 31.90 14.08 3 0 1000.00 -999 ? >ILE.A 46 37.75 37.23 18.41 36.36 37.41 18.48 37.05 37.32 18.45 3 0 1000.00 -999 ? >ASP~A 47 42.00 40.98 17.82 43.49 42.10 18.74 42.74 41.54 18.28 2 0 1000.00 -999 ? >ILE~A 48 40.05 40.14 23.47 39.07 39.76 24.66 39.56 39.95 24.06 3 0 1000.00 -999 ? >ASP~A 49 44.24 43.57 22.23 45.36 42.23 23.47 44.80 42.90 22.85 2 0 1000.00 -999 ? >PHE~A 50 40.26 45.72 17.32 38.54 47.18 15.65 39.40 46.45 16.49 3 0 1000.00 -999 ? >VAL~A 51 37.70 45.00 20.95 36.28 43.34 20.72 36.99 44.17 20.84 3 0 1000.00 -999 ? >PHE~A 52 38.67 44.24 26.19 37.58 41.96 27.39 38.13 43.10 26.79 3 0 1000.00 -999 ? >SER~A 53 40.20 49.21 23.40 42.52 48.75 22.87 41.36 48.98 23.14 2 0 1000.00 -999 ? >ILE~A 54 36.45 49.58 20.36 37.00 49.73 19.65 36.73 49.65 20.01 3 0 1000.00 -999 ? >ILE~A 55 34.66 48.51 25.29 33.88 47.40 25.60 34.27 47.95 25.44 3 0 1000.00 -999 ? >MET?A 56 37.06 51.41 27.33 38.52 48.54 30.09 37.79 49.97 28.71 2 0 1000.00 -999 ? >ASN~A 57 38.07 54.99 25.07 38.30 56.33 23.44 38.18 55.66 24.26 2 0 1000.00 -999 ? >ILE.A 58 41.99 51.75 27.80 42.14 51.53 29.16 42.07 51.64 28.48 3 0 1000.00 -999 ? >GLY.A 59 44.96 51.78 24.34 44.35 52.30 24.13 44.65 52.04 24.24 1 0 1000.00 -999 ? >ASP.A 60 46.46 53.70 20.25 45.69 55.66 20.11 46.07 54.68 20.18 2 0 1000.00 -999 ? >ILE.A 61 43.70 50.17 17.33 43.53 49.47 16.91 43.61 49.82 17.12 3 0 1000.00 -999 ? >GLU.A 62 48.78 49.69 13.95 49.62 47.76 13.88 49.20 48.72 13.92 2 0 1000.00 -999 ? >PHE.A 63 43.42 48.68 9.76 44.30 47.93 7.20 43.86 48.31 8.48 3 0 1000.00 -999 ? >ALA.A 64 41.69 53.24 13.50 42.36 54.02 14.62 42.03 53.63 14.06 2 0 1000.00 -999 ? >LEU.A 65 39.46 53.94 9.40 38.98 54.65 7.41 39.22 54.30 8.41 3 0 1000.00 -999 ? >THR.A 66 35.55 53.69 10.64 34.28 55.42 10.80 34.92 54.56 10.72 2 0 1000.00 -999 ? >ASP~A 67 35.29 52.08 6.13 33.59 52.53 5.01 34.44 52.30 5.57 2 0 1000.00 -999 ? >GLU~A 68 39.50 50.97 7.81 41.51 51.55 7.86 40.51 51.26 7.83 2 0 1000.00 -999 ? >ILE~A 69 36.86 50.72 13.40 36.50 51.46 14.52 36.68 51.09 13.96 3 0 1000.00 -999 ? >GLU~A 70 31.24 48.51 10.15 29.99 49.92 9.18 30.62 49.21 9.67 2 0 1000.00 -999 ? >LYS~A 71 34.33 45.42 8.65 37.35 45.38 4.68 35.84 45.40 6.66 2 0 1000.00 -999 ? >LYS~A 72 36.58 44.17 11.46 41.47 43.04 13.79 39.03 43.61 12.63 2 0 1000.00 -999 ? >LEU~A 73 33.41 45.23 14.95 34.01 45.72 16.94 33.71 45.48 15.95 3 0 1000.00 -999 ? >SER~A 74 31.42 42.78 11.85 31.79 43.35 9.52 31.60 43.06 10.68 2 0 1000.00 -999 ? >GLY~A 75 33.86 40.09 10.75 33.51 40.23 11.52 33.68 40.16 11.14 1 0 1000.00 -999 ? >TYR~A 76 35.72 40.01 15.53 38.44 40.57 15.66 37.08 40.29 15.60 3 0 1000.00 -999 ? >LEU~A 77 29.15 40.15 14.04 28.61 41.78 15.31 28.88 40.97 14.68 3 0 1000.00 -999 ? >SER~A 78 29.53 36.80 11.42 29.52 38.42 9.63 29.52 37.61 10.53 2 0 1000.00 -999 ? >THR~A 79 32.04 34.43 12.97 34.20 34.40 13.17 33.12 34.41 13.07 2 0 1000.00 -999 ? >LEU~A 80 30.23 35.04 17.33 31.88 35.08 18.71 31.06 35.06 18.02 3 0 1000.00 -999 ? >LEU~A 81 25.94 35.22 13.86 24.98 37.12 14.25 25.46 36.17 14.06 3 0 1000.00 -999 ? >PRO~A 82 27.70 31.58 11.95 26.48 31.51 13.80 27.09 31.54 12.87 3 0 1000.00 -999 ? >TYR~A 83 29.44 28.76 16.76 31.30 27.66 14.99 30.37 28.21 15.88 3 0 1000.00 -999 ? >VAL~A 84 24.52 31.67 19.01 25.62 33.54 19.02 25.07 32.60 19.02 3 0 1000.00 -999 ? >THR~A 85 20.75 31.44 19.29 20.38 30.01 20.84 20.57 30.72 20.07 2 0 1000.00 -999 ? >ALA~A 86 18.08 34.10 19.30 16.62 33.86 18.91 17.35 33.98 19.10 2 0 1000.00 -999 ? >ASP~A 87 17.56 33.36 24.08 15.62 32.63 23.77 16.59 32.99 23.92 2 0 1000.00 -999 ? >MET?A 88 21.67 34.81 23.43 23.74 31.19 22.50 22.71 33.00 22.96 2 0 1000.00 -999 ? >PHE~A 89 21.52 38.43 18.47 22.43 40.38 16.70 21.98 39.41 17.58 3 0 1000.00 -999 ? >GLU~A 90 16.58 38.95 21.16 16.35 40.84 20.25 16.47 39.89 20.71 2 0 1000.00 -999 ? >THR~A 91 20.39 39.03 25.77 20.58 37.41 27.16 20.48 38.22 26.47 2 0 1000.00 -999 ? >SER~A 92 23.63 40.58 24.66 24.18 40.07 22.36 23.90 40.32 23.51 2 0 1000.00 -999 ? >LYS~A 93 21.79 43.39 22.86 18.42 42.89 17.86 20.11 43.14 20.36 2 0 1000.00 -999 ? >ALA~A 94 19.87 44.22 26.01 18.91 43.31 26.79 19.39 43.77 26.40 2 0 1000.00 -999 ? >ASN~A 95 23.88 42.93 28.47 22.91 41.35 29.56 23.39 42.14 29.02 2 0 1000.00 -999 ? >ALA~A 96 24.76 46.38 25.69 24.89 46.15 24.21 24.83 46.26 24.95 2 0 1000.00 -999 ? >HIS~A 97 20.57 48.80 23.80 20.42 48.32 21.76 20.50 48.56 22.78 3 0 1000.00 -999 ? >ALA~A 98 22.09 48.71 29.56 21.85 47.42 30.30 21.97 48.06 29.93 2 0 1000.00 -999 ? >PHE~A 99 28.25 48.96 28.98 30.80 50.06 28.83 29.52 49.51 28.90 3 0 1000.00 -999 ? >LEU~A 100 25.42 52.24 25.84 27.26 51.85 24.78 26.34 52.04 25.31 3 0 1000.00 -999 ? >SER.A 101 22.88 54.39 29.51 21.00 53.44 28.28 21.94 53.91 28.89 2 0 1000.00 -999 ? >ALA.A 107 18.70 54.94 22.28 19.98 55.77 22.36 19.34 55.35 22.32 2 0 1000.00 -999 ? >ALA.A 108 18.89 52.08 19.73 17.64 51.58 19.01 18.27 51.83 19.37 2 0 1000.00 -999 ? >TYR.A 109 23.56 52.11 19.60 23.80 54.03 21.60 23.68 53.07 20.60 3 0 1000.00 -999 ? >HIS.A 110 23.25 49.86 11.86 23.78 48.84 10.11 23.51 49.35 10.99 3 0 1000.00 -999 ? >LEU.A 111 23.81 45.02 14.73 22.16 44.71 16.09 22.99 44.87 15.41 3 0 1000.00 -999 ? >PHE.A 112 29.39 47.20 12.93 30.36 49.53 14.14 29.87 48.37 13.53 3 0 1000.00 -999 ? >VAL.A 113 26.32 43.90 8.94 27.88 43.10 7.61 27.10 43.50 8.27 3 0 1000.00 -999 ? >MET?B 1 25.64 41.55 35.24 25.20 44.26 31.90 25.42 42.91 33.57 2 0 1000.00 -999 ? >GLN.B 2 27.55 41.57 39.88 29.06 41.05 41.29 28.31 41.31 40.58 2 0 1000.00 -999 ? >TYR.B 3 24.45 49.24 39.04 24.58 52.02 38.65 24.51 50.63 38.85 3 0 1000.00 -999 ? >PHE.B 4 30.33 47.76 38.93 30.87 45.10 39.57 30.60 46.43 39.25 3 0 1000.00 -999 ? >SER~B 5 28.03 53.31 39.65 29.10 53.80 41.80 28.56 53.55 40.72 2 0 1000.00 -999 ? >PRO~B 6 27.57 56.59 36.86 29.25 55.54 37.85 28.41 56.07 37.35 3 0 1000.00 -999 ? >GLU~B 7 32.37 57.82 42.80 31.78 59.31 44.18 32.07 58.57 43.49 2 0 1000.00 -999 ? >GLN~B 8 31.40 52.21 42.26 30.34 50.42 42.70 30.87 51.32 42.48 2 0 1000.00 -999 ? >GLN~B 9 31.68 52.44 35.87 30.34 52.54 34.24 31.01 52.49 35.06 2 0 1000.00 -999 ? >TYR~B 10 35.88 59.00 38.20 37.28 61.39 38.36 36.58 60.20 38.28 3 0 1000.00 -999 ? >ASN~B 11 37.70 55.15 41.55 37.26 56.83 42.78 37.48 55.99 42.17 2 0 1000.00 -999 ? >ALA~B 12 38.54 52.22 38.31 37.46 51.24 37.93 38.00 51.73 38.12 2 0 1000.00 -999 ? >TRP~B 13 40.08 56.79 33.36 39.29 55.51 29.76 39.69 56.15 31.56 3 0 1000.00 -999 ? >ILE~B 14 41.80 57.12 38.17 41.56 58.29 38.88 41.68 57.70 38.52 3 0 1000.00 -999 ? >VAL~B 15 43.88 53.28 38.13 43.40 51.71 39.53 43.64 52.50 38.83 3 0 1000.00 -999 ? >SER~B 16 44.21 52.16 34.55 42.76 50.39 33.87 43.49 51.28 34.21 2 0 1000.00 -999 ? >ASP~B 17 44.39 56.77 33.24 44.48 57.55 31.28 44.43 57.16 32.26 2 0 1000.00 -999 ? >LEU~B 18 47.58 56.12 37.67 46.88 57.95 38.57 47.23 57.04 38.12 3 0 1000.00 -999 ? >VAL~B 19 49.53 52.84 35.60 48.78 50.85 35.30 49.15 51.84 35.45 3 0 1000.00 -999 ? >LYS~B 20 49.33 53.49 31.87 47.15 56.94 27.97 48.24 55.22 29.92 2 0 1000.00 -999 ? >GLN~B 21 49.27 58.67 31.79 48.29 60.19 32.86 48.78 59.43 32.32 2 0 1000.00 -999 ? >ILE~B 22 53.31 54.60 35.60 54.16 55.28 36.62 53.73 54.94 36.11 3 0 1000.00 -999 ? >PHE~B 23 53.69 51.00 29.99 54.46 49.07 28.11 54.07 50.03 29.05 3 0 1000.00 -999 ? >HIS~B 24 53.62 57.50 27.34 53.90 59.26 26.23 53.76 58.38 26.78 3 0 1000.00 -999 ? >LYS~B 25 57.18 57.50 30.83 57.22 62.55 33.22 57.20 60.03 32.03 2 0 1000.00 -999 ? >ARG~B 26 59.38 51.27 33.86 59.99 48.43 32.87 59.68 49.85 33.37 2 0 1000.00 -999 ? >ALA~B 27 58.81 53.22 27.95 57.89 52.10 27.44 58.35 52.66 27.70 2 0 1000.00 -999 ? >GLY.B 28 58.61 55.95 25.31 58.05 55.38 25.34 58.33 55.67 25.33 1 0 1000.00 -999 ? >CYH.B 29 55.46 54.94 23.39 55.71 52.12 23.37 55.59 53.53 23.38 2 0 1000.00 -999 ? >SER.B 30 52.23 53.71 25.04 50.68 54.17 23.20 51.46 53.94 24.12 2 0 1000.00 -999 ? >PRO.B 31 50.79 51.67 28.43 51.14 51.05 26.33 50.96 51.36 27.38 3 0 1000.00 -999 ? >GLY~B 32 48.94 47.51 25.03 48.85 47.68 25.94 48.89 47.60 25.48 1 0 1000.00 -999 ? >ILE~B 33 44.43 45.71 25.89 43.43 46.70 26.37 43.93 46.20 26.13 3 0 1000.00 -999 ? >HIS~B 34 48.04 40.45 27.24 48.50 38.72 28.34 48.27 39.58 27.79 3 0 1000.00 -999 ? >GLU~B 35 52.99 45.32 27.06 53.87 46.40 25.47 53.43 45.86 26.26 2 0 1000.00 -999 ? >LEU~B 36 48.65 48.25 30.12 48.33 50.06 31.27 48.49 49.15 30.69 3 0 1000.00 -999 ? >ALA~B 37 47.83 44.33 32.25 46.92 43.30 31.60 47.37 43.81 31.93 2 0 1000.00 -999 ? >VAL~B 38 50.91 42.30 33.08 51.78 40.68 31.96 51.35 41.49 32.52 3 0 1000.00 -999 ? >PHE~B 39 53.52 47.87 33.47 54.91 50.06 34.46 54.22 48.97 33.97 3 0 1000.00 -999 ? >ALA~B 40 50.13 46.40 36.54 48.74 46.87 36.23 49.44 46.63 36.39 2 0 1000.00 -999 ? >GLU~B 41 48.88 40.82 38.36 49.84 40.08 40.12 49.36 40.45 39.24 2 0 1000.00 -999 ? >GLU~B 42 55.24 42.87 36.14 56.59 42.19 34.66 55.92 42.53 35.40 2 0 1000.00 -999 ? >HIS~B 43 56.26 46.58 36.93 57.60 46.07 35.40 56.93 46.33 36.16 3 0 1000.00 -999 ? >PHE.B 44 52.43 49.27 40.23 54.25 51.16 39.26 53.34 50.22 39.74 3 0 1000.00 -999 ? >HIS.B 45 51.84 42.69 44.10 53.39 41.40 44.69 52.62 42.05 44.39 3 0 1000.00 -999 ? >ILE.B 46 47.28 46.78 40.09 46.84 47.49 41.15 47.06 47.13 40.62 3 0 1000.00 -999 ? >ASP~B 47 43.54 42.49 40.66 42.45 41.00 39.73 42.99 41.75 40.19 2 0 1000.00 -999 ? >ILE~B 48 44.38 44.44 35.00 44.19 45.85 34.50 44.28 45.14 34.75 3 0 1000.00 -999 ? >ASP~B 49 40.97 40.27 36.25 42.29 39.15 34.98 41.63 39.71 35.62 2 0 1000.00 -999 ? >PHE~B 50 38.79 44.22 41.16 37.33 45.94 42.83 38.06 45.08 41.99 3 0 1000.00 -999 ? >VAL~B 51 39.53 46.79 37.52 41.19 48.21 37.76 40.36 47.50 37.64 3 0 1000.00 -999 ? >PHE~B 52 40.26 45.84 32.28 42.55 46.91 31.08 41.41 46.37 31.68 3 0 1000.00 -999 ? >SER~B 53 35.30 44.29 35.08 35.79 41.98 35.58 35.55 43.13 35.33 2 0 1000.00 -999 ? >ILE~B 54 34.91 48.05 38.12 35.18 48.33 39.33 35.04 48.19 38.73 3 0 1000.00 -999 ? >ILE~B 55 36.02 49.83 33.21 36.24 51.29 33.44 36.13 50.56 33.33 3 0 1000.00 -999 ? >MET?B 56 33.10 47.43 31.17 35.92 45.88 28.47 34.51 46.66 29.82 2 0 1000.00 -999 ? >ASN~B 57 29.52 46.41 33.42 28.19 46.18 35.03 28.86 46.30 34.22 2 0 1000.00 -999 ? >ILE.B 58 32.77 42.52 30.68 32.99 42.38 29.32 32.88 42.45 30.00 3 0 1000.00 -999 ? >GLY.B 59 32.74 39.54 34.14 32.21 40.14 34.36 32.48 39.84 34.25 1 0 1000.00 -999 ? >ASP.B 60 30.82 38.02 38.22 28.86 38.80 38.41 29.84 38.41 38.31 2 0 1000.00 -999 ? >ILE.B 61 34.36 40.80 41.13 34.32 41.39 42.59 34.34 41.10 41.86 3 0 1000.00 -999 ? >GLU.B 62 34.84 35.70 44.48 36.77 34.85 44.55 35.80 35.27 44.51 2 0 1000.00 -999 ? >PHE.B 63 35.83 41.05 48.73 36.60 40.15 51.28 36.22 40.60 50.00 3 0 1000.00 -999 ? >ALA.B 64 31.27 42.78 44.99 30.48 42.11 43.87 30.87 42.45 44.43 2 0 1000.00 -999 ? >LEU.B 65 30.57 44.99 49.09 29.86 45.48 51.08 30.22 45.24 50.09 3 0 1000.00 -999 ? >THR.B 66 30.82 48.92 47.85 29.09 50.19 47.70 29.96 49.55 47.78 2 0 1000.00 -999 ? >ASP~B 67 32.41 49.17 52.36 31.98 50.86 53.50 32.20 50.02 52.93 2 0 1000.00 -999 ? >GLU~B 68 33.56 44.94 50.69 32.98 42.92 50.63 33.27 43.93 50.66 2 0 1000.00 -999 ? >ILE~B 69 33.79 47.60 45.09 33.92 48.73 44.06 33.86 48.17 44.58 3 0 1000.00 -999 ? >GLU~B 70 36.01 53.23 48.36 34.61 54.49 49.33 35.31 53.86 48.84 2 0 1000.00 -999 ? >LYS~B 71 39.08 50.15 49.85 39.14 47.15 53.80 39.11 48.65 51.82 2 0 1000.00 -999 ? >LYS~B 72 40.34 47.91 47.03 41.47 43.07 44.68 40.91 45.49 45.86 2 0 1000.00 -999 ? >LEU~B 73 39.27 51.08 43.55 38.80 50.46 41.56 39.03 50.77 42.56 3 0 1000.00 -999 ? >SER~B 74 41.74 53.09 46.63 41.17 52.71 48.96 41.45 52.90 47.80 2 0 1000.00 -999 ? >GLY~B 75 44.42 50.65 47.75 44.27 51.00 46.97 44.35 50.82 47.36 1 0 1000.00 -999 ? >TYR~B 76 44.50 48.76 42.95 43.95 46.03 42.84 44.22 47.40 42.90 3 0 1000.00 -999 ? >LEU~B 77 44.35 55.35 44.49 42.74 55.89 43.19 43.54 55.62 43.84 3 0 1000.00 -999 ? >SER~B 78 47.69 54.95 47.09 46.07 54.92 48.89 46.88 54.94 47.99 2 0 1000.00 -999 ? >THR~B 79 50.06 52.47 45.53 50.10 50.31 45.34 50.08 51.39 45.43 2 0 1000.00 -999 ? >LEU~B 80 49.48 54.27 41.13 49.42 52.63 39.74 49.45 53.45 40.44 3 0 1000.00 -999 ? >LEU~B 81 49.27 58.54 44.64 47.36 59.50 44.23 48.32 59.02 44.43 3 0 1000.00 -999 ? >PRO~B 82 52.96 56.81 46.54 52.99 58.03 44.69 52.97 57.42 45.62 3 0 1000.00 -999 ? >TYR~B 83 55.74 55.06 41.71 56.84 53.22 43.50 56.29 54.14 42.60 3 0 1000.00 -999 ? >VAL~B 84 52.83 60.00 39.48 50.93 58.95 39.44 51.88 59.47 39.46 3 0 1000.00 -999 ? >THR~B 85 53.05 63.77 39.22 54.50 64.14 37.68 53.77 63.95 38.45 2 0 1000.00 -999 ? >ALA~B 86 50.39 66.45 39.21 50.63 67.89 39.60 50.51 67.17 39.41 2 0 1000.00 -999 ? >ASP~B 87 51.12 66.96 34.43 51.86 68.91 34.73 51.49 67.93 34.58 2 0 1000.00 -999 ? >MET?B 88 49.68 62.84 35.08 53.37 60.87 35.99 51.52 61.85 35.54 2 0 1000.00 -999 ? >PHE~B 89 46.03 62.98 40.05 44.09 62.08 41.83 45.06 62.53 40.94 3 0 1000.00 -999 ? >GLU~B 90 45.52 67.94 37.33 43.64 68.17 38.27 44.58 68.05 37.80 2 0 1000.00 -999 ? >THR~B 91 45.46 64.13 32.74 47.08 63.96 31.33 46.27 64.05 32.03 2 0 1000.00 -999 ? >SER~B 92 43.91 60.88 33.84 44.46 60.32 36.13 44.19 60.60 34.98 2 0 1000.00 -999 ? >LYS~B 93 41.10 62.71 35.65 41.62 66.08 40.66 41.36 64.40 38.15 2 0 1000.00 -999 ? >ALA~B 94 40.27 64.64 32.49 41.21 65.55 31.69 40.74 65.09 32.09 2 0 1000.00 -999 ? >ASN~B 95 41.57 60.65 30.04 43.11 61.63 28.92 42.34 61.14 29.48 2 0 1000.00 -999 ? >ALA~B 96 38.11 59.72 32.81 38.34 59.58 34.30 38.23 59.65 33.55 2 0 1000.00 -999 ? >HIS~B 97 35.67 63.88 34.72 36.15 64.05 36.76 35.91 63.97 35.74 3 0 1000.00 -999 ? >ALA~B 98 35.78 62.39 28.95 37.07 62.63 28.20 36.43 62.51 28.58 2 0 1000.00 -999 ? >PHE~B 99 35.53 56.25 29.52 34.45 53.69 29.67 34.99 54.97 29.59 3 0 1000.00 -999 ? >LEU~B 100 32.23 59.06 32.66 32.61 57.21 33.72 32.42 58.14 33.19 3 0 1000.00 -999 ? >SER.B 101 30.08 61.61 29.00 31.03 63.45 30.26 30.56 62.53 29.63 2 0 1000.00 -999 ? >ALA.B 107 29.56 65.78 36.23 28.74 64.50 36.13 29.15 65.14 36.18 2 0 1000.00 -999 ? >ALA.B 108 32.41 65.60 38.79 32.91 66.85 39.51 32.66 66.22 39.15 2 0 1000.00 -999 ? >TYR.B 109 32.36 60.94 38.91 30.44 60.67 36.90 31.40 60.81 37.91 3 0 1000.00 -999 ? >HIS.B 110 34.63 61.26 46.64 35.67 60.73 48.38 35.15 60.99 47.51 3 0 1000.00 -999 ? >LEU.B 111 39.47 60.66 43.77 39.78 62.29 42.40 39.62 61.48 43.09 3 0 1000.00 -999 ? >PHE.B 112 37.29 55.10 45.56 34.96 54.15 44.36 36.13 54.63 44.96 3 0 1000.00 -999 ? >VAL.B 113 40.59 58.16 49.57 41.40 56.59 50.90 41.00 57.37 50.24 3 0 1000.00 -999 ?