REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-APR-06 2GMQ COMPND HYPOTHETICAL PROTEIN EF0006; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; SOURCE 3 ORGANISM_TAXID: 1351; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG AUTHOR C.CHANG,L.VOLKART,S.F.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 13 8 HET MSE A 45 13 HET MSE A 47 8 HET MSE B 13 5 HET MSE B 45 13 HET MSE B 47 8 >GLY.A 12 30.20 8.28 -1.88 30.18 9.08 -1.62 30.19 8.68 -1.75 1 0 1000.00 -999 ? >MET?A 13 32.05 8.22 1.48 32.33 3.67 1.71 32.19 5.95 1.60 2 0 1000.00 -999 ? >LYS.A 14 33.81 11.31 2.99 35.67 16.28 3.51 34.74 13.79 3.25 2 0 1000.00 -999 ? >GLU^A 15 36.52 9.22 7.95 37.34 7.28 8.27 36.93 8.25 8.11 2 0 1000.00 -999 ? >ILE^A 16 36.08 14.94 8.71 35.76 16.19 9.41 35.92 15.56 9.06 3 0 1000.00 -999 ? >ALA^A 17 38.73 12.90 11.94 40.17 12.45 12.00 39.45 12.67 11.97 2 0 1000.00 -999 ? >ILE^A 18 36.53 15.77 14.95 35.58 16.89 14.75 36.05 16.33 14.85 3 0 1000.00 -999 ? >GLN^A 19 40.83 17.10 18.71 42.56 18.16 19.41 41.70 17.63 19.06 2 0 1000.00 -999 ? >GLU.A 20 36.06 12.46 22.67 36.14 13.35 24.63 36.10 12.90 23.65 2 0 1000.00 -999 ? >LYS.A 21 38.14 16.97 23.18 44.36 17.78 23.77 41.25 17.37 23.47 2 0 1000.00 -999 ? >ASP.A 22 37.37 19.51 19.16 39.18 20.58 19.33 38.27 20.05 19.25 2 0 1000.00 -999 ? >LEU^A 23 33.09 16.25 20.16 33.45 15.71 18.10 33.27 15.98 19.13 3 0 1000.00 -999 ? >THR^A 24 30.26 18.06 23.05 29.45 19.80 23.99 29.86 18.93 23.52 2 0 1000.00 -999 ? >LEU^A 25 29.52 13.37 23.53 31.29 12.66 22.49 30.41 13.02 23.01 3 0 1000.00 -999 ? >GLN^A 26 22.52 14.74 23.63 20.66 15.06 22.56 21.59 14.90 23.09 2 0 1000.00 -999 ? >TRP^A 27 27.45 11.02 26.31 28.72 8.05 24.03 28.09 9.54 25.17 3 0 1000.00 -999 ? >ARG.A 28 17.60 7.97 23.63 17.84 6.18 21.14 17.72 7.08 22.38 2 0 1000.00 -999 ? >GLY~A 29 19.81 9.58 29.11 20.48 9.78 28.74 20.15 9.68 28.93 1 0 1000.00 -999 ? >ASN~A 30 23.57 11.01 31.15 22.62 12.83 31.41 23.10 11.92 31.28 2 0 1000.00 -999 ? >THR~A 31 24.44 6.83 29.58 23.58 6.21 31.52 24.01 6.52 30.55 2 0 1000.00 -999 ? >GLY.A 32 22.71 5.38 26.48 23.34 5.96 26.36 23.02 5.67 26.42 1 0 1000.00 -999 ? >LYS.A 33 23.17 5.75 22.75 22.00 5.88 17.27 22.59 5.81 20.01 2 0 1000.00 -999 ? >LEU^A 34 26.75 8.43 20.79 28.10 10.20 20.62 27.42 9.31 20.70 3 0 1000.00 -999 ? >VAL^A 35 22.71 10.77 19.52 20.69 11.32 20.29 21.70 11.04 19.90 3 0 1000.00 -999 ? >LYS^A 36 24.74 13.75 18.34 20.30 18.08 19.12 22.52 15.91 18.73 2 0 1000.00 -999 ? >VAL^A 37 28.07 15.60 18.70 29.47 14.22 17.68 28.77 14.91 18.19 3 0 1000.00 -999 ? >ARG^A 38 26.68 22.00 20.55 25.58 24.87 20.71 26.13 23.44 20.63 2 0 1000.00 -999 ? >LEU^A 39 32.36 21.74 16.47 33.44 19.98 15.73 32.90 20.86 16.10 3 0 1000.00 -999 ? >LYS~A 40 33.11 23.25 20.59 33.22 20.37 25.12 33.16 21.81 22.85 2 0 1000.00 -999 ? >ASN~A 41 32.73 28.14 20.97 30.65 28.11 21.53 31.69 28.12 21.25 2 0 1000.00 -999 ? >THR~A 42 36.98 27.47 19.74 38.49 27.89 21.20 37.73 27.68 20.47 2 0 1000.00 -999 ? >ARG~A 43 39.19 22.53 15.90 39.98 19.86 14.49 39.59 21.19 15.19 2 0 1000.00 -999 ? >ALA~A 44 34.40 25.83 15.26 33.01 26.05 15.69 33.71 25.94 15.47 2 0 1000.00 -999 ? >MET?A 45 36.11 29.28 14.97 37.47 32.81 17.24 36.79 31.04 16.11 2 0 1000.00 -999 ? >GLU~A 46 41.43 26.28 14.04 41.91 24.28 14.43 41.67 25.28 14.24 2 0 1000.00 -999 ? >MET?A 47 37.34 25.47 11.22 35.50 22.00 12.59 36.42 23.74 11.90 2 0 1000.00 -999 ? >TRP~A 48 34.98 32.26 10.30 32.11 31.84 7.61 33.54 32.05 8.95 3 0 1000.00 -999 ? >TYR~A 49 39.68 32.11 11.04 39.03 34.39 12.51 39.36 33.25 11.77 3 0 1000.00 -999 ? >ASN~A 50 40.93 26.09 8.30 42.58 26.63 9.57 41.76 26.36 8.94 2 0 1000.00 -999 ? >LYS~A 51 37.00 26.31 5.83 36.94 31.34 5.79 36.97 28.82 5.81 2 0 1000.00 -999 ? >GLN.A 52 38.52 20.97 8.55 39.82 20.31 10.03 39.17 20.64 9.29 2 0 1000.00 -999 ? >ILE.A 53 33.36 21.53 8.78 32.85 20.31 9.44 33.11 20.92 9.11 3 0 1000.00 -999 ? >THR.A 54 31.55 24.73 6.04 32.64 25.07 4.19 32.10 24.90 5.12 2 0 1000.00 -999 ? >GLU.A 55 25.82 26.36 6.55 25.62 28.03 7.94 25.72 27.20 7.25 2 0 1000.00 -999 ? >GLU.A 56 28.90 26.28 0.23 30.39 27.36 -0.88 29.64 26.82 -0.32 2 0 1000.00 -999 ? >ASN~A 57 31.94 21.08 2.36 33.02 21.43 4.19 32.48 21.26 3.27 2 0 1000.00 -999 ? >ILE~A 58 28.49 20.48 7.03 27.51 20.67 8.10 28.00 20.58 7.57 3 0 1000.00 -999 ? >GLN~A 59 24.46 18.35 5.03 22.32 18.37 4.93 23.39 18.36 4.98 2 0 1000.00 -999 ? >GLU~A 60 29.66 16.74 -0.07 28.33 15.40 -1.18 29.00 16.07 -0.63 2 0 1000.00 -999 ? >ILE~A 61 31.05 14.76 6.78 31.84 15.42 7.67 31.45 15.09 7.22 3 0 1000.00 -999 ? >THR.A 62 29.50 10.39 5.98 29.97 9.49 4.12 29.73 9.94 5.05 2 0 1000.00 -999 ? >THR^A 63 31.89 9.33 8.80 32.78 7.43 8.37 32.33 8.38 8.58 2 0 1000.00 -999 ? >LEU^A 64 32.51 11.56 12.93 32.80 12.99 14.43 32.66 12.27 13.68 3 0 1000.00 -999 ? >ASN^A 65 37.91 9.19 12.10 39.36 7.78 12.73 38.64 8.49 12.41 2 0 1000.00 -999 ? >ILE^A 66 35.62 10.05 17.80 34.54 10.59 18.48 35.08 10.32 18.14 3 0 1000.00 -999 ? >ILE^A 67 41.39 11.59 17.25 42.05 10.62 16.48 41.72 11.10 16.87 3 0 1000.00 -999 ? >LYS^A 68 41.49 10.40 21.74 38.13 11.41 26.82 39.81 10.91 24.28 2 0 1000.00 -999 ? >ASN.A 69 43.32 8.18 25.02 42.73 9.44 26.68 43.02 8.81 25.85 2 0 1000.00 -999 ? >GLY.A 70 45.98 7.62 20.90 45.22 7.48 21.06 45.60 7.55 20.98 1 0 1000.00 -999 ? >LYS^A 71 42.92 5.65 19.82 41.55 1.35 23.99 42.24 3.50 21.90 2 0 1000.00 -999 ? >SER^A 72 40.43 6.08 16.95 40.41 6.50 14.56 40.42 6.29 15.76 2 0 1000.00 -999 ? >LEU^A 73 35.76 5.31 17.68 34.32 3.77 18.17 35.04 4.54 17.92 3 0 1000.00 -999 ? >ALA^A 74 34.92 5.67 13.12 35.35 4.98 11.73 35.13 5.32 12.42 2 0 1000.00 -999 ? >LEU^A 75 30.76 7.26 14.65 30.88 6.46 16.71 30.82 6.86 15.68 3 0 1000.00 -999 ? >GLU.A 76 28.73 4.78 9.04 29.85 5.65 7.50 29.29 5.22 8.27 2 0 1000.00 -999 ? >VAL.A 77 26.58 10.03 10.58 28.02 11.68 10.30 27.30 10.85 10.44 3 0 1000.00 -999 ? >TYR~A 78 21.48 9.74 10.48 20.51 7.48 11.94 21.00 8.61 11.21 3 0 1000.00 -999 ? >PRO~A 79 25.29 11.43 4.99 24.38 12.64 6.66 24.84 12.03 5.83 3 0 1000.00 -999 ? >GLU~A 80 20.53 13.31 3.62 21.68 14.34 2.13 21.11 13.82 2.88 2 0 1000.00 -999 ? >LYS~A 81 20.82 15.75 9.37 18.08 10.41 11.46 19.45 13.08 10.41 2 0 1000.00 -999 ? >SER~A 82 24.21 17.58 9.66 25.86 15.92 9.02 25.03 16.75 9.34 2 0 1000.00 -999 ? >ILE^A 83 22.00 21.37 11.14 20.84 20.97 11.77 21.42 21.17 11.46 3 0 1000.00 -999 ? >TYR^A 84 26.83 25.31 10.50 29.34 24.60 9.53 28.09 24.96 10.01 3 0 1000.00 -999 ? >VAL^A 85 23.39 25.73 15.24 23.42 23.85 16.38 23.40 24.79 15.81 3 0 1000.00 -999 ? >LYS.A 86 23.70 29.02 17.23 21.82 34.31 19.49 22.76 31.66 18.36 2 0 1000.00 -999 ? >PRO.A 87 27.31 31.02 18.76 26.18 29.09 19.25 26.74 30.06 19.01 3 0 1000.00 -999 ? >ILE.A 92 31.51 31.31 15.07 32.38 30.02 14.94 31.94 30.66 15.01 3 0 1000.00 -999 ? >ASN.A 93 26.50 28.86 13.40 25.26 30.56 13.24 25.88 29.71 13.32 2 0 1000.00 -999 ? >VAL^A 94 28.85 25.55 15.07 28.90 25.59 17.31 28.87 25.57 16.19 3 0 1000.00 -999 ? >PRO^A 95 30.86 22.48 12.66 28.77 22.80 13.48 29.81 22.64 13.07 3 0 1000.00 -999 ? >VAL^A 96 26.43 19.34 14.65 24.75 19.85 15.95 25.59 19.60 15.30 3 0 1000.00 -999 ? >PHE^A 97 28.61 15.86 12.29 30.34 17.41 10.65 29.47 16.64 11.47 3 0 1000.00 -999 ? >PHE^A 98 21.66 14.47 14.22 20.47 16.88 15.15 21.06 15.68 14.69 3 0 1000.00 -999 ? >ILE.A 99 26.04 9.44 16.12 27.39 9.58 15.68 26.72 9.51 15.90 3 0 1000.00 -999 ? >LYS.A 100 24.12 6.75 12.79 24.39 5.83 6.87 24.25 6.29 9.83 2 0 1000.00 -999 ? >THR.A 101 26.49 3.98 14.00 28.45 3.42 13.64 27.47 3.70 13.82 2 0 1000.00 -999 ? >PRO.A 102 23.56 1.41 15.91 25.15 2.79 16.58 24.35 2.10 16.24 3 0 1000.00 -999 ? >ILE.A 103 28.67 3.84 19.81 29.82 4.42 20.10 29.25 4.13 19.96 3 0 1000.00 -999 ? >ASN~A 104 25.79 2.43 24.64 23.76 2.26 23.81 24.77 2.35 24.22 2 0 1000.00 -999 ? >ARG~A 105 28.22 8.40 29.01 28.75 11.02 30.26 28.49 9.71 29.64 2 0 1000.00 -999 ? >GLY~A 106 29.92 2.33 28.36 30.04 2.60 27.55 29.98 2.47 27.96 1 0 1000.00 -999 ? >VAL~A 107 31.64 0.98 25.31 31.11 -0.44 23.77 31.37 0.27 24.54 3 0 1000.00 -999 ? >PHE~A 108 32.50 6.92 23.46 33.70 9.19 22.37 33.10 8.06 22.91 3 0 1000.00 -999 ? >GLU~A 109 33.68 7.09 29.14 32.13 7.55 30.43 32.90 7.32 29.78 2 0 1000.00 -999 ? >GLU~A 110 34.73 -0.72 28.17 36.32 -1.78 29.15 35.53 -1.25 28.66 2 0 1000.00 -999 ? >ILE~A 111 36.89 2.77 22.77 36.45 2.54 21.45 36.67 2.66 22.11 3 0 1000.00 -999 ? >PHE~A 112 37.92 7.07 23.17 37.46 7.14 20.42 37.69 7.10 21.79 3 0 1000.00 -999 ? >GLY~A 113 39.42 5.32 28.84 39.24 6.00 28.40 39.33 5.66 28.62 1 0 1000.00 -999 ? >LYS.B 14 32.00 13.12 59.89 36.38 14.86 62.10 34.19 13.99 60.99 2 0 1000.00 -999 ? >GLU^B 15 29.95 15.81 54.84 28.05 16.63 54.65 29.00 16.22 54.74 2 0 1000.00 -999 ? >ILE^B 16 35.69 15.39 54.18 36.94 15.02 53.59 36.32 15.20 53.89 3 0 1000.00 -999 ? >ALA^B 17 33.59 18.03 50.99 33.13 19.53 50.97 33.36 18.78 50.98 2 0 1000.00 -999 ? >ILE^B 18 36.48 15.79 48.01 37.59 14.83 48.24 37.04 15.31 48.13 3 0 1000.00 -999 ? >GLN^B 19 37.77 20.10 44.29 38.90 21.80 43.47 38.34 20.95 43.88 2 0 1000.00 -999 ? >GLU.B 20 33.20 15.29 40.17 34.06 15.43 38.25 33.63 15.36 39.21 2 0 1000.00 -999 ? >LYS.B 21 37.67 17.41 39.72 39.53 23.11 40.56 38.60 20.26 40.14 2 0 1000.00 -999 ? >ASP.B 22 40.25 16.66 43.81 41.27 18.48 43.59 40.76 17.57 43.70 2 0 1000.00 -999 ? >LEU^B 23 37.04 12.37 42.85 36.38 12.64 44.81 36.71 12.50 43.83 3 0 1000.00 -999 ? >THR^B 24 38.79 9.56 39.82 40.57 8.75 38.96 39.68 9.15 39.39 2 0 1000.00 -999 ? >LEU^B 25 34.10 8.71 39.63 33.57 10.67 40.47 33.84 9.69 40.05 3 0 1000.00 -999 ? >GLN^B 26 35.51 1.84 39.42 36.38 0.38 40.68 35.94 1.11 40.05 2 0 1000.00 -999 ? >TRP^B 27 31.81 6.72 36.65 28.85 7.97 38.90 30.33 7.35 37.77 3 0 1000.00 -999 ? >ARG.B 28 26.84 -1.51 38.08 23.88 -0.78 37.32 25.36 -1.15 37.70 2 0 1000.00 -999 ? >GLY~B 29 30.27 -0.93 33.82 30.56 -0.26 34.16 30.42 -0.59 33.99 1 0 1000.00 -999 ? >ASN~B 30 31.83 2.89 31.75 33.70 1.92 31.48 32.76 2.41 31.62 2 0 1000.00 -999 ? >THR~B 31 27.61 3.65 33.36 26.97 2.76 31.48 27.29 3.20 32.42 2 0 1000.00 -999 ? >GLY.B 32 26.18 1.97 36.44 26.77 2.53 36.57 26.48 2.25 36.50 1 0 1000.00 -999 ? >LYS.B 33 26.55 2.38 40.18 26.68 1.31 45.59 26.61 1.84 42.89 2 0 1000.00 -999 ? >LEU^B 34 29.23 5.97 42.23 30.91 7.39 42.35 30.07 6.68 42.29 3 0 1000.00 -999 ? >VAL^B 35 31.56 1.96 43.34 32.08 -0.02 42.62 31.82 0.97 42.98 3 0 1000.00 -999 ? >LYS^B 36 34.54 3.99 44.61 38.79 -0.38 43.62 36.67 1.80 44.12 2 0 1000.00 -999 ? >VAL^B 37 36.36 7.33 44.31 34.94 8.66 45.27 35.65 8.00 44.79 3 0 1000.00 -999 ? >ARG^B 38 42.82 5.90 42.47 45.68 4.89 42.31 44.25 5.40 42.39 2 0 1000.00 -999 ? >LEU.B 39 42.56 11.44 46.50 42.31 13.31 47.47 42.44 12.37 46.98 3 0 1000.00 -999 ? >LYS~B 40 44.00 12.33 42.38 41.37 12.41 37.54 42.68 12.37 39.96 2 0 1000.00 -999 ? >ASN~B 41 48.85 12.05 41.88 50.66 11.28 42.69 49.76 11.66 42.29 2 0 1000.00 -999 ? >THR~B 42 48.25 16.21 43.21 48.60 17.79 41.71 48.43 17.00 42.46 2 0 1000.00 -999 ? >ARG~B 43 43.27 18.48 47.09 40.51 19.30 48.45 41.89 18.89 47.77 2 0 1000.00 -999 ? >ALA~B 44 46.56 13.65 47.63 46.77 12.26 47.10 46.67 12.95 47.36 2 0 1000.00 -999 ? >MET?B 45 49.97 15.31 48.01 53.31 14.79 48.47 51.64 15.05 48.24 2 0 1000.00 -999 ? >GLU~B 46 46.99 20.74 48.85 45.00 21.19 48.48 46.00 20.97 48.67 2 0 1000.00 -999 ? >MET?B 47 46.23 16.62 51.72 42.70 14.78 50.35 44.47 15.70 51.04 2 0 1000.00 -999 ? >TRP~B 48 52.94 14.70 52.64 53.39 11.40 54.73 53.16 13.05 53.69 3 0 1000.00 -999 ? >TYR~B 49 52.70 19.00 51.89 55.06 18.42 50.52 53.88 18.71 51.21 3 0 1000.00 -999 ? >ASN~B 50 46.82 20.16 54.59 47.33 21.87 53.41 47.08 21.02 54.00 2 0 1000.00 -999 ? >LYS~B 51 47.01 16.37 57.19 51.79 16.38 59.34 49.40 16.37 58.27 2 0 1000.00 -999 ? >GLN.B 52 41.63 17.89 54.47 41.03 19.14 52.87 41.33 18.52 53.67 2 0 1000.00 -999 ? >ILE.B 53 42.13 12.56 54.25 40.99 12.16 53.56 41.56 12.36 53.91 3 0 1000.00 -999 ? >THR.B 54 45.47 10.85 56.97 45.73 11.97 58.85 45.60 11.41 57.91 2 0 1000.00 -999 ? >GLU.B 55 46.78 4.66 57.36 45.77 3.78 55.69 46.27 4.22 56.53 2 0 1000.00 -999 ? >GLU.B 56 47.47 8.35 61.76 48.31 9.66 60.26 47.89 9.01 61.01 2 0 1000.00 -999 ? >ASN~B 57 41.92 11.26 60.60 42.19 12.37 58.74 42.06 11.81 59.67 2 0 1000.00 -999 ? >ILE~B 58 41.24 7.60 55.94 41.42 6.72 54.86 41.33 7.16 55.40 3 0 1000.00 -999 ? >GLN~B 59 39.19 3.68 58.01 39.23 1.52 58.10 39.21 2.60 58.05 2 0 1000.00 -999 ? >GLU~B 60 38.15 9.15 62.40 39.01 10.54 63.75 38.58 9.84 63.08 2 0 1000.00 -999 ? >ILE~B 61 35.51 10.31 56.21 36.15 11.13 55.26 35.83 10.72 55.73 3 0 1000.00 -999 ? >THR.B 62 31.12 8.72 56.92 30.26 9.14 58.85 30.69 8.93 57.89 2 0 1000.00 -999 ? >THR^B 63 30.09 11.17 54.13 28.11 11.97 54.54 29.10 11.57 54.33 2 0 1000.00 -999 ? >LEU^B 64 32.33 11.78 50.08 33.61 12.07 48.44 32.97 11.92 49.26 3 0 1000.00 -999 ? >ASN^B 65 29.92 17.18 50.85 28.56 18.67 50.12 29.24 17.92 50.48 2 0 1000.00 -999 ? >ILE^B 66 30.98 14.97 45.21 30.76 14.18 44.25 30.87 14.57 44.73 3 0 1000.00 -999 ? >ILE^B 67 32.33 20.63 45.64 31.39 21.27 46.45 31.86 20.95 46.05 3 0 1000.00 -999 ? >LYS^B 68 31.17 20.75 41.17 32.03 17.42 36.04 31.60 19.08 38.61 2 0 1000.00 -999 ? >ASN.B 69 28.83 22.55 37.88 30.12 21.93 36.26 29.48 22.24 37.07 2 0 1000.00 -999 ? >GLY.B 70 28.33 25.23 42.08 28.19 24.48 41.90 28.26 24.86 41.99 1 0 1000.00 -999 ? >LYS^B 71 26.36 22.15 43.18 22.08 21.09 38.78 24.22 21.62 40.98 2 0 1000.00 -999 ? >SER^B 72 26.86 19.68 46.06 27.30 19.68 48.43 27.08 19.68 47.25 2 0 1000.00 -999 ? >LEU^B 73 25.97 15.12 45.24 24.58 13.61 44.76 25.27 14.37 45.00 3 0 1000.00 -999 ? >ALA^B 74 26.45 14.18 49.87 25.74 14.58 51.16 26.09 14.38 50.51 2 0 1000.00 -999 ? >LEU^B 75 28.05 9.98 48.27 27.31 10.18 46.23 27.68 10.08 47.25 3 0 1000.00 -999 ? >GLU.B 76 25.48 7.93 53.79 26.31 9.04 55.40 25.90 8.49 54.60 2 0 1000.00 -999 ? >VAL.B 77 30.73 5.84 52.33 32.44 7.27 52.57 31.59 6.55 52.45 3 0 1000.00 -999 ? >TYR~B 78 30.54 0.74 52.45 28.28 -0.19 51.06 29.41 0.27 51.75 3 0 1000.00 -999 ? >PRO~B 79 32.15 4.78 57.70 33.40 3.60 56.26 32.78 4.19 56.98 3 0 1000.00 -999 ? >GLU~B 80 34.52 -0.33 59.50 34.08 -2.09 60.64 34.30 -1.21 60.07 2 0 1000.00 -999 ? >LYS~B 81 36.51 0.08 53.64 31.47 -2.79 51.03 33.99 -1.36 52.34 2 0 1000.00 -999 ? >SER~B 82 38.33 3.43 53.28 36.60 4.98 53.83 37.46 4.21 53.56 2 0 1000.00 -999 ? >ILE^B 83 42.15 1.33 51.87 41.82 0.27 51.22 41.99 0.80 51.55 3 0 1000.00 -999 ? >TYR^B 84 46.02 6.17 52.40 45.29 8.66 53.44 45.65 7.41 52.92 3 0 1000.00 -999 ? >VAL.B 85 46.46 2.69 47.70 44.60 2.64 46.48 45.53 2.66 47.09 3 0 1000.00 -999 ? >LYS.B 86 49.85 3.14 46.01 51.66 -2.62 46.26 50.75 0.26 46.14 2 0 1000.00 -999 ? >PRO.B 87 52.35 4.66 43.07 50.41 5.15 44.25 51.38 4.91 43.66 3 0 1000.00 -999 ? >GLY.B 90 52.96 8.94 41.82 53.65 8.46 41.67 53.31 8.70 41.74 1 0 1000.00 -999 ? >ILE.B 92 52.76 9.96 49.00 53.31 9.46 50.34 53.04 9.71 49.67 3 0 1000.00 -999 ? >ASN.B 93 49.61 5.73 49.66 51.35 4.52 49.79 50.48 5.13 49.72 2 0 1000.00 -999 ? >VAL^B 94 46.24 8.08 47.82 46.33 8.09 45.59 46.28 8.09 46.70 3 0 1000.00 -999 ? >PRO^B 95 43.16 10.15 50.13 43.55 8.04 49.48 43.36 9.09 49.81 3 0 1000.00 -999 ? >VAL^B 96 40.10 5.67 48.34 40.48 4.08 46.87 40.29 4.88 47.60 3 0 1000.00 -999 ? >PHE^B 97 36.57 7.90 50.56 38.13 9.53 52.26 37.35 8.72 51.41 3 0 1000.00 -999 ? >PHE^B 98 35.33 0.95 48.79 37.68 -0.17 47.68 36.50 0.39 48.24 3 0 1000.00 -999 ? >ILE.B 99 30.16 5.28 46.85 30.35 6.64 47.33 30.26 5.96 47.09 3 0 1000.00 -999 ? >LYS.B 100 27.52 3.34 50.14 26.61 3.43 55.97 27.06 3.38 53.05 2 0 1000.00 -999 ? >THR.B 101 24.76 5.67 48.90 24.22 7.67 49.29 24.49 6.67 49.10 2 0 1000.00 -999 ? >PRO.B 102 22.11 2.82 46.98 23.56 4.38 46.32 22.84 3.60 46.65 3 0 1000.00 -999 ? >ILE.B 103 24.54 7.94 43.13 25.18 9.06 42.80 24.86 8.50 42.96 3 0 1000.00 -999 ? >ASN~B 104 23.21 4.97 38.33 23.01 2.97 39.18 23.11 3.97 38.75 2 0 1000.00 -999 ? >ARG~B 105 29.09 7.46 33.73 31.78 8.23 32.77 30.44 7.84 33.25 2 0 1000.00 -999 ? >GLY~B 106 23.15 9.14 34.57 23.39 9.24 35.39 23.27 9.19 34.98 1 0 1000.00 -999 ? >VAL~B 107 21.74 10.94 37.58 20.97 9.43 38.89 21.35 10.18 38.24 3 0 1000.00 -999 ? >PHE~B 108 27.69 11.77 39.41 29.96 12.92 40.52 28.82 12.34 39.96 3 0 1000.00 -999 ? >GLU~B 109 27.78 12.93 33.74 28.25 11.50 32.32 28.01 12.21 33.03 2 0 1000.00 -999 ? >GLU~B 110 20.20 13.81 34.77 19.31 15.20 33.51 19.75 14.50 34.14 2 0 1000.00 -999 ? >ILE~B 111 23.52 16.12 40.17 23.31 15.66 41.45 23.42 15.89 40.81 3 0 1000.00 -999 ? >PHE~B 112 27.89 17.15 39.71 27.84 16.68 42.50 27.86 16.92 41.10 3 0 1000.00 -999 ? >GLY~B 113 25.78 18.82 34.12 26.54 18.57 34.47 26.16 18.69 34.29 1 0 1000.00 -999 ?