REMARK SOURCE hebe.pdb HEADER OXIDOREDUCTASE 01-DEC-08 3FEU COMPND PUTATIVE LIPOPROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 30-211; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; SOURCE 3 ORGANISM_TAXID: 312309; SOURCE 4 STRAIN: ES114; SOURCE 5 GENE: VF_A0457; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,A.SATHER,G.SHACKELFORD,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 20 8 HET MSE A 37 8 HET MSE A 55 16 HET MSE A 68 16 HET MSE A 75 8 HET MSE A 86 8 HET MSE A 95 8 HET MSE A 140 8 HET MG A 183 1 SITE 1 AC1 4 GLU A 74 VAL A 77 GLY A 79 HOH A 292 >ALA.A 0 46.57 62.62 -14.61 45.53 63.75 -14.66 46.05 63.19 -14.64 2 0 36.27 -999 ? MG MG A 183 >ASP.A 1 44.76 58.40 -16.35 42.81 58.77 -17.13 43.78 58.58 -16.74 2 0 34.87 -999 ? MG MG A 183 >PRO.A 2 44.77 56.86 -11.34 46.26 57.11 -12.99 45.52 56.99 -12.16 3 0 30.81 -999 ? MG MG A 183 >LYS.A 3 49.05 54.27 -14.64 50.30 59.08 -17.96 49.67 56.67 -16.30 2 0 38.31 -999 ? MG MG A 183 >GLU.A 4 49.42 48.10 -14.86 48.74 46.52 -16.07 49.08 47.31 -15.46 2 0 32.51 -999 ? MG MG A 183 >GLY.A 5 53.11 49.89 -13.02 52.69 50.50 -12.75 52.90 50.19 -12.89 1 0 32.84 -999 ? MG MG A 183 >VAL.A 6 53.34 53.32 -11.38 54.06 54.98 -12.57 53.70 54.15 -11.97 3 0 33.57 -999 ? MG MG A 183 >GLN.A 7 49.64 56.64 -9.65 50.82 57.21 -11.35 50.23 56.92 -10.50 2 0 32.69 -999 ? MG MG A 183 >TYR^A 8 46.88 50.62 -10.80 45.94 50.65 -13.40 46.41 50.63 -12.10 3 0 28.78 -999 ? MG MG A 183 >GLU^A 9 50.49 45.69 -8.59 52.21 45.00 -7.56 51.35 45.35 -8.07 2 0 27.38 -999 ? MG MG A 183 >VAL^A 10 47.14 44.15 -11.54 46.12 43.84 -13.50 46.63 44.00 -12.52 3 0 28.21 -999 ? MG MG A 183 >LEU.A 11 46.65 40.88 -7.92 46.81 41.70 -5.93 46.73 41.29 -6.92 3 0 23.45 -999 ? MG MG A 183 >SER.A 12 48.98 38.23 -10.88 50.77 37.44 -9.44 49.87 37.83 -10.16 2 0 28.33 -999 ? MG MG A 183 >THR.A 13 46.39 35.99 -9.20 46.73 34.01 -8.41 46.56 35.00 -8.81 2 0 26.20 -999 ? MG MG A 183 >SER.A 14 43.08 37.87 -8.90 40.99 38.90 -9.65 42.03 38.39 -9.28 2 0 23.69 -999 ? MG MG A 183 >LEU.A 15 41.76 38.35 -4.32 43.64 37.84 -3.45 42.70 38.09 -3.89 3 0 19.31 -999 ? MG MG A 183 >GLU.A 16 37.63 38.63 -9.54 37.95 39.07 -11.56 37.79 38.85 -10.55 2 0 24.77 -999 ? MG MG A 183 >ASN.A 17 35.55 35.42 -7.32 35.05 36.24 -9.24 35.30 35.83 -8.28 2 0 22.82 -999 ? MG MG A 183 >ASP.A 18 38.73 35.72 -2.62 39.54 34.20 -3.91 39.13 34.96 -3.26 2 0 19.49 -999 ? MG MG A 183 >GLY.A 19 34.91 38.25 -0.77 35.63 38.47 -0.87 35.27 38.36 -0.82 1 0 14.15 -999 ? MG MG A 183 >MET?A 20 37.21 41.05 0.44 41.47 40.74 0.27 39.34 40.89 0.36 2 0 14.66 -999 ? MG MG A 183 >ALA.A 21 35.86 44.59 0.89 36.18 45.55 2.04 36.02 45.07 1.46 2 0 11.13 -999 ? MG MG A 183 >PRO.A 22 33.51 46.51 -2.19 35.67 46.10 -1.81 34.59 46.30 -2.00 3 0 14.99 -999 ? MG MG A 183 >VAL^A 23 38.60 48.57 -0.90 38.98 50.68 -1.39 38.79 49.63 -1.14 3 0 16.09 -999 ? MG MG A 183 >THR^A 24 40.84 46.66 1.51 40.47 44.56 2.01 40.65 45.61 1.76 2 0 12.61 -999 ? MG MG A 183 >GLU^A 25 45.31 49.43 5.03 45.46 50.05 7.03 45.39 49.74 6.03 2 0 14.81 -999 ? MG MG A 183 >VAL^A 26 46.37 45.10 3.70 46.73 43.53 2.21 46.55 44.31 2.95 3 0 16.06 -999 ? MG MG A 183 >PHE^A 27 46.81 46.04 8.64 45.13 44.69 10.41 45.97 45.37 9.52 3 0 12.83 -999 ? MG MG A 183 >ALA.A 28 50.49 44.14 9.63 51.86 43.63 9.27 51.18 43.88 9.45 2 0 18.41 -999 ? MG MG A 183 >LEU.A 29 49.51 44.28 14.38 47.48 44.53 15.01 48.49 44.41 14.69 3 0 14.96 -999 ? MG MG A 183 >SER.A 30 54.09 44.87 13.51 55.17 43.36 11.87 54.63 44.12 12.69 2 0 21.42 -999 ? MG MG A 183 >CYH~A 31 54.57 47.61 10.87 54.47 48.62 8.30 54.52 48.11 9.59 2 0 21.91 -999 ? MG MG A 183 >GLY~A 32 55.20 51.21 12.04 54.95 50.93 11.32 55.08 51.07 11.68 1 0 23.02 -999 ? MG MG A 183 >HIS~A 33 54.65 52.93 6.12 54.28 54.33 4.59 54.46 53.63 5.36 3 0 24.42 -999 ? MG MG A 183 >CYH~A 34 50.79 50.78 8.91 51.08 48.29 7.66 50.93 49.53 8.28 2 0 18.80 -999 ? MG MG A 183 >ARG~A 35 52.21 52.35 15.82 52.89 52.71 18.79 52.55 52.53 17.31 2 0 22.40 -999 ? MG MG A 183 >ASN~A 36 52.40 56.35 10.59 52.37 58.49 10.57 52.38 57.42 10.58 2 0 24.39 -999 ? MG MG A 183 >MET?A 37 48.82 55.20 8.00 48.06 55.39 4.63 48.44 55.30 6.32 2 0 20.60 -999 ? MG MG A 183 >GLU~A 38 45.52 52.83 12.18 43.80 52.04 11.24 44.66 52.43 11.71 2 0 13.67 -999 ? MG MG A 183 >ASN.A 39 47.25 59.16 11.36 47.78 58.70 13.34 47.52 58.93 12.35 2 0 21.17 -999 ? MG MG A 183 >PHE~A 40 47.72 59.83 6.67 49.88 61.33 7.65 48.80 60.58 7.16 3 0 23.86 -999 ? MG MG A 183 >LEU~A 41 42.41 55.23 7.43 43.26 53.31 6.99 42.83 54.27 7.21 3 0 15.53 -999 ? MG MG A 183 >PRO~A 42 40.51 59.05 9.64 40.37 58.59 7.47 40.44 58.82 8.55 3 0 17.76 -999 ? MG MG A 183 >VAL~A 43 40.98 61.29 4.63 42.21 63.09 4.53 41.59 62.19 4.58 3 0 22.34 -999 ? MG MG A 183 >ILE~A 44 42.58 57.36 2.23 43.78 56.65 1.85 43.18 57.01 2.04 3 0 19.99 -999 ? MG MG A 183 >SER~A 45 38.13 56.94 2.88 36.44 55.78 4.18 37.29 56.36 3.53 2 0 15.64 -999 ? MG MG A 183 >GLN~A 46 35.51 62.45 3.29 36.22 64.35 3.79 35.86 63.40 3.54 2 0 23.35 -999 ? MG MG A 183 >GLU~A 47 39.94 62.87 -1.29 38.69 63.89 -2.63 39.31 63.38 -1.96 2 0 26.40 -999 ? MG MG A 183 >ALA~A 48 37.72 57.67 -2.34 38.46 56.45 -1.85 38.09 57.06 -2.10 2 0 20.36 -999 ? MG MG A 183 >GLY~A 49 34.06 57.76 -1.31 34.51 57.08 -1.18 34.29 57.42 -1.24 1 0 20.36 -999 ? MG MG A 183 >THR.A 50 33.76 54.34 0.33 34.51 53.19 -1.46 34.14 53.76 -0.56 2 0 17.43 -999 ? MG MG A 183 >ASP.A 51 33.71 51.67 4.36 32.03 52.72 5.02 32.87 52.19 4.69 2 0 12.54 -999 ? MG MG A 183 >ILE.A 52 39.24 51.59 3.79 40.37 52.26 3.24 39.81 51.93 3.51 3 0 14.17 -999 ? MG MG A 183 >GLY^A 53 38.12 47.12 4.92 38.74 47.62 4.71 38.43 47.37 4.82 1 0 9.77 -999 ? MG MG A 183 >LYS^A 54 41.19 45.51 6.46 42.67 49.98 9.31 41.93 47.74 7.88 2 0 11.86 -999 ? MG MG A 183 >MET?A 55 43.16 42.29 5.88 45.15 39.65 4.28 44.15 40.97 5.08 2 0 14.44 -999 ? MG MG A 183 >HIS^A 56 47.16 41.09 10.45 49.02 41.15 11.44 48.09 41.12 10.94 3 0 14.52 -999 ? MG MG A 183 >ILE.A 57 49.81 40.56 5.29 50.77 40.81 4.49 50.29 40.69 4.89 3 0 18.35 -999 ? MG MG A 183 >THR.A 58 51.48 37.24 7.71 50.08 35.69 8.37 50.78 36.46 8.04 2 0 18.31 -999 ? MG MG A 183 >PHE.A 59 55.32 39.35 5.63 54.16 41.30 4.00 54.74 40.33 4.81 3 0 22.50 -999 ? MG MG A 183 >ASN.A 60 57.70 35.16 9.98 57.60 36.84 11.29 57.65 36.00 10.64 2 0 24.61 -999 ? MG MG A 183 >GLN~A 61 55.20 29.99 11.77 54.43 30.68 9.92 54.81 30.33 10.84 2 0 24.13 -999 ? MG MG A 183 >SER~A 62 55.64 35.23 14.84 57.17 36.46 16.33 56.40 35.85 15.58 2 0 24.55 -999 ? MG MG A 183 >ALA~A 63 53.14 37.29 12.90 53.35 37.66 11.46 53.25 37.48 12.18 2 0 20.29 -999 ? MG MG A 183 >HIS~A 64 49.59 32.20 13.18 47.96 30.91 12.88 48.78 31.55 13.03 3 0 18.80 -999 ? MG MG A 183 >ILE~A 65 51.22 35.82 17.91 50.88 34.81 18.45 51.05 35.32 18.18 3 0 19.68 -999 ? MG MG A 183 >ALA~A 66 49.44 39.34 15.78 50.42 40.21 14.95 49.93 39.77 15.36 2 0 17.04 -999 ? MG MG A 183 >SER~A 67 46.96 38.10 13.20 46.14 36.95 11.31 46.55 37.52 12.26 2 0 13.77 -999 ? MG MG A 183 >MET?A 68 45.14 36.08 15.98 45.54 33.73 19.62 45.34 34.90 17.80 2 0 16.49 -999 ? MG MG A 183 >PHE~A 69 46.38 39.23 20.10 47.24 37.92 22.43 46.81 38.57 21.27 3 0 16.26 -999 ? MG MG A 183 >TYR~A 70 43.38 42.41 13.02 41.52 43.73 11.47 42.45 43.07 12.24 3 0 8.69 -999 ? MG MG A 183 >TYR~A 71 41.45 38.02 11.78 42.11 38.99 9.27 41.78 38.50 10.53 3 0 9.35 -999 ? MG MG A 183 >ALA~A 72 39.88 38.29 17.66 40.85 37.89 18.80 40.37 38.09 18.23 2 0 10.67 -999 ? MG MG A 183 >ALA~A 73 39.20 42.11 17.70 40.26 43.12 17.44 39.73 42.61 17.57 2 0 8.13 -999 ? MG MG A 183 >GLU~A 74 37.35 42.19 11.87 35.90 40.75 11.27 36.62 41.47 11.57 2 0 -3.26 -999 ? MG MG A 183s >MET?A 75 35.09 39.44 15.05 36.73 35.86 16.76 35.91 37.65 15.90 2 0 8.69 -999 ? MG MG A 183 >GLN~A 76 34.95 39.82 19.85 35.86 39.69 21.79 35.41 39.75 20.82 2 0 9.98 -999 ? MG MG A 183 >VAL~A 77 32.93 44.58 16.55 34.89 45.60 16.81 33.91 45.09 16.68 3 0 -4.69 -999 ? MG MG A 183s >ASP~A 78 29.48 46.35 13.54 27.87 45.01 14.05 28.68 45.68 13.80 2 0 6.45 -999 ? MG MG A 183 >GLY~A 79 33.26 46.27 10.66 33.42 45.86 11.39 33.34 46.07 11.02 1 0 -3.94 -999 ? MG MG A 183s >ALA~A 80 36.99 46.50 11.37 38.07 46.96 10.35 37.53 46.73 10.86 2 0 6.34 -999 ? MG MG A 183 >PRO~A 81 39.53 45.80 14.81 38.08 47.38 14.16 38.81 46.59 14.49 3 0 6.57 -999 ? MG MG A 183 >ASP~A 82 37.07 52.41 15.70 37.29 52.49 17.79 37.18 52.45 16.75 2 0 11.52 -999 ? MG MG A 183 >HIS~A 83 42.34 56.17 14.57 44.22 57.12 14.63 43.28 56.65 14.60 3 0 16.88 -999 ? MG MG A 183 >ALA~A 84 41.52 53.85 18.72 40.61 54.54 19.75 41.06 54.20 19.24 2 0 15.34 -999 ? MG MG A 183 >PHE~A 85 39.93 47.84 19.36 39.78 45.22 20.46 39.85 46.53 19.91 3 0 10.23 -999 ? MG MG A 183 >MET?A 86 43.72 49.75 16.23 42.85 47.75 13.74 43.29 48.75 14.99 2 0 10.39 -999 ? MG MG A 183 >GLU~A 87 47.08 54.12 19.28 49.01 54.11 18.35 48.05 54.11 18.82 2 0 19.82 -999 ? MG MG A 183 >ASP~A 88 44.85 49.47 22.01 44.11 51.11 23.09 44.48 50.29 22.55 2 0 16.92 -999 ? MG MG A 183 >LEU~A 89 45.84 46.05 18.07 44.12 44.75 18.52 44.98 45.40 18.29 3 0 12.86 -999 ? MG MG A 183 >PHE~A 90 49.04 49.56 14.94 48.09 49.37 12.32 48.57 49.46 13.63 3 0 16.25 -999 ? MG MG A 183 >ALA~A 91 51.15 49.69 20.36 50.44 50.63 21.31 50.80 50.16 20.83 2 0 20.38 -999 ? MG MG A 183 >ALA~A 92 51.08 46.16 21.91 49.89 45.35 22.19 50.49 45.75 22.05 2 0 18.95 -999 ? MG MG A 183 >THR~A 93 52.71 44.58 18.86 51.80 43.77 17.06 52.25 44.18 17.96 2 0 18.61 -999 ? MG MG A 183 >GLN~A 94 54.86 47.81 16.24 54.07 49.37 15.08 54.47 48.59 15.66 2 0 21.48 -999 ? MG MG A 183 >MET?A 95 56.65 47.35 22.20 53.94 46.03 25.14 55.30 46.69 23.67 2 0 23.99 -999 ? MG MG A 183 >GLY~A 96 60.20 46.64 21.00 59.91 46.20 21.60 60.05 46.42 21.30 1 0 28.01 -999 ? MG MG A 183 >GLU~A 97 64.77 45.58 20.14 66.73 45.68 19.29 65.75 45.63 19.72 2 0 33.77 -999 ? MG MG A 183 >GLY~A 98 63.37 45.77 26.10 62.70 45.57 25.72 63.03 45.67 25.91 1 0 32.69 -999 ? MG MG A 183 >THR~A 99 59.88 44.23 26.51 58.09 45.26 25.78 58.98 44.75 26.14 2 0 27.79 -999 ? MG MG A 183 >THR~A 100 59.14 40.61 27.43 59.13 40.45 29.62 59.14 40.53 28.53 2 0 30.67 -999 ? MG MG A 183 >LEU~A 101 56.87 36.87 25.20 57.50 36.00 23.28 57.18 36.43 24.24 3 0 26.95 -999 ? MG MG A 183 >THR~A 102 54.64 38.54 28.84 54.87 37.64 30.71 54.76 38.09 29.78 2 0 28.33 -999 ? MG MG A 183 >GLU~A 103 56.13 43.37 30.47 57.84 44.53 30.66 56.99 43.95 30.57 2 0 30.17 -999 ? MG MG A 183 >GLN~A 104 53.72 42.02 22.85 54.72 40.90 21.29 54.22 41.46 22.07 2 0 22.79 -999 ? MG MG A 183 >GLN~A 105 49.69 37.51 27.23 48.24 36.94 25.78 48.97 37.22 26.50 2 0 20.48 -999 ? MG MG A 183 >GLU~A 106 50.56 41.84 31.37 52.39 42.23 32.43 51.47 42.04 31.90 2 0 27.24 -999 ? MG MG A 183 >ALA~A 107 48.99 44.86 26.62 50.17 45.57 25.98 49.58 45.22 26.30 2 0 21.37 -999 ? MG MG A 183 >TYR~A 108 48.53 41.57 22.33 50.05 41.67 20.05 49.29 41.62 21.19 3 0 17.81 -999 ? MG MG A 183 >SER~A 109 44.78 41.49 26.74 44.00 40.05 28.53 44.39 40.77 27.64 2 0 19.18 -999 ? MG MG A 183 >LYS~A 110 44.08 45.03 28.10 46.21 47.84 32.93 45.15 46.44 30.51 2 0 24.39 -999 ? MG MG A 183 >ALA~A 111 42.96 46.29 24.68 43.67 46.08 23.33 43.32 46.19 24.00 2 0 14.99 -999 ? MG MG A 183 >PHE~A 112 40.65 41.88 23.37 41.63 41.25 20.86 41.14 41.56 22.11 3 0 12.14 -999 ? MG MG A 183 >THR~A 113 38.95 43.96 28.47 40.45 42.87 29.62 39.70 43.42 29.05 2 0 18.33 -999 ? MG MG A 183 >SER~A 114 39.18 47.74 28.70 40.68 48.66 27.04 39.93 48.20 27.87 2 0 17.07 -999 ? MG MG A 183 >ARG~A 115 38.23 48.38 22.56 40.68 50.20 22.80 39.45 49.29 22.68 2 0 14.37 -999 ? MG MG A 183 >GLY~A 116 34.23 45.13 27.45 34.71 45.02 26.84 34.47 45.08 27.14 1 0 15.07 -999 ? MG MG A 183 >LEU~A 117 35.90 42.94 23.61 35.03 44.27 22.08 35.46 43.61 22.84 3 0 10.45 -999 ? MG MG A 183 >VAL~A 118 36.53 38.97 25.45 35.26 37.20 25.75 35.90 38.08 25.60 3 0 14.05 -999 ? MG MG A 183 >SER~A 119 40.31 38.34 25.25 40.61 38.49 27.64 40.46 38.42 26.45 2 0 17.13 -999 ? MG MG A 183 >PRO~A 120 42.80 36.69 21.98 41.10 36.01 23.28 41.95 36.35 22.63 3 0 14.52 -999 ? MG MG A 183 >TYR~A 121 43.86 32.72 27.89 44.05 31.06 30.16 43.95 31.89 29.02 3 0 22.25 -999 ? MG MG A 183 >ASP~A 122 38.56 34.55 28.16 39.66 34.98 29.85 39.11 34.77 29.00 2 0 19.89 -999 ? MG MG A 183 >PHE~A 123 37.89 33.66 22.11 37.98 36.06 20.66 37.93 34.86 21.39 3 0 12.62 -999 ? MG MG A 183 >ASN~A 124 33.32 29.70 24.84 32.06 30.68 23.41 32.69 30.19 24.12 2 0 16.39 -999 ? MG MG A 183 >GLU~A 125 34.11 24.43 21.07 33.56 22.48 21.69 33.84 23.46 21.38 2 0 22.33 -999 ? MG MG A 183 >GLU~A 126 30.41 29.26 18.11 31.26 28.03 16.64 30.83 28.64 17.37 2 0 15.58 -999 ? MG MG A 183 >GLN~A 127 33.45 33.38 21.23 33.55 34.20 23.18 33.50 33.79 22.20 2 0 13.70 -999 ? MG MG A 183 >ARG~A 128 39.41 27.63 21.63 37.86 26.29 23.91 38.63 26.96 22.77 2 0 20.49 -999 ? MG MG A 183 >ASP~A 129 34.68 27.32 15.90 34.85 25.40 16.78 34.76 26.36 16.34 2 0 17.99 -999 ? MG MG A 183 >THR~A 130 35.06 31.54 14.46 33.46 32.99 14.73 34.26 32.26 14.60 2 0 10.11 -999 ? MG MG A 183 >LEU~A 131 39.28 32.90 16.45 41.01 34.02 17.03 40.14 33.46 16.74 3 0 12.10 -999 ? MG MG A 183 >ILE~A 132 40.18 28.33 13.65 41.45 27.98 13.40 40.82 28.15 13.53 3 0 16.33 -999 ? MG MG A 183 >LYS~A 133 38.18 30.33 10.28 33.05 27.04 8.69 35.61 28.69 9.49 2 0 16.29 -999 ? MG MG A 183 >LYS~A 134 39.04 34.07 10.07 35.08 37.78 10.65 37.06 35.93 10.36 2 0 5.58 -999 ? MG MG A 183 >VAL~A 135 42.82 33.62 10.52 44.10 33.52 12.30 43.46 33.57 11.41 3 0 13.47 -999 ? MG MG A 183 >ASP~A 136 42.24 29.37 8.16 43.21 28.17 9.68 42.73 28.77 8.92 2 0 17.69 -999 ? MG MG A 183 >ASN~A 137 39.60 33.46 5.58 38.95 34.45 3.80 39.27 33.96 4.69 2 0 13.20 -999 ? MG MG A 183 >ALA~A 138 43.44 35.73 5.91 43.75 36.42 7.22 43.60 36.07 6.57 2 0 13.03 -999 ? MG MG A 183 >LYS~A 139 46.33 33.28 5.54 49.98 28.84 6.95 48.15 31.06 6.24 2 0 22.16 -999 ? MG MG A 183 >MET?A 140 44.85 31.92 2.29 42.16 32.14 -0.47 43.50 32.03 0.91 2 0 18.84 -999 ? MG MG A 183 >LEU~A 141 43.12 36.38 1.37 41.00 36.66 1.01 42.06 36.52 1.19 3 0 15.44 -999 ? MG MG A 183 >SER~A 142 47.58 36.58 1.80 47.67 37.44 3.99 47.63 37.01 2.89 2 0 17.21 -999 ? MG MG A 183 >GLU~A 143 49.97 32.30 2.27 50.49 30.34 2.99 50.23 31.32 2.63 2 0 22.98 -999 ? MG MG A 183 >LYS~A 144 47.22 33.89 -2.91 41.50 32.79 -5.63 44.36 33.34 -4.27 2 0 22.18 -999 ? MG MG A 183 >SER~A 145 47.79 37.64 -3.36 48.33 38.87 -1.30 48.06 38.25 -2.33 2 0 20.50 -999 ? MG MG A 183 >GLY~A 146 51.61 37.43 -3.22 51.16 37.99 -2.88 51.39 37.71 -3.05 1 0 24.44 -999 ? MG MG A 183 >ILE~A 147 50.51 41.59 -0.88 49.54 42.56 -0.68 50.03 42.07 -0.78 3 0 21.05 -999 ? MG MG A 183 >SER~A 148 55.08 41.71 0.02 56.59 42.23 -1.79 55.83 41.97 -0.88 2 0 26.97 -999 ? MG MG A 183 >SER~A 149 54.76 45.41 0.91 55.47 47.55 0.20 55.12 46.48 0.55 2 0 25.42 -999 ? MG MG A 183 >VAL~A 150 52.43 46.97 3.51 52.06 45.18 4.77 52.25 46.07 4.14 3 0 20.56 -999 ? MG MG A 183 >PRO~A 151 50.94 51.28 4.69 51.22 49.14 4.21 51.08 50.21 4.45 3 0 20.49 -999 ? MG MG A 183 >THR^A 152 48.79 48.78 0.72 49.16 47.36 -0.84 48.97 48.07 -0.06 2 0 20.90 -999 ? MG MG A 183 >PHE^A 153 44.99 51.27 0.28 45.40 52.85 2.56 45.20 52.06 1.42 3 0 18.43 -999 ? MG MG A 183 >VAL^A 154 43.60 46.31 -2.81 44.18 44.21 -2.92 43.89 45.26 -2.86 3 0 18.61 -999 ? MG MG A 183 >VAL^A 155 40.65 47.33 -4.98 40.44 49.37 -5.80 40.54 48.35 -5.39 3 0 19.96 -999 ? MG MG A 183 >ASN~A 156 37.36 45.14 -7.21 35.78 46.57 -6.93 36.57 45.86 -7.07 2 0 19.94 -999 ? MG MG A 183 >GLY~A 157 40.50 42.02 -5.16 40.57 42.52 -5.76 40.53 42.27 -5.46 1 0 18.98 -999 ? MG MG A 183 >LYS~A 158 42.26 42.74 -8.43 41.06 42.98 -14.10 41.66 42.86 -11.27 2 0 27.64 -999 ? MG MG A 183 >TYR^A 159 43.12 46.98 -10.15 41.71 46.78 -12.52 42.42 46.88 -11.33 3 0 25.73 -999 ? MG MG A 183 >ASN^A 160 48.14 45.78 -5.53 49.20 46.16 -3.73 48.67 45.97 -4.63 2 0 22.68 -999 ? MG MG A 183 >VAL^A 161 47.72 50.47 -5.20 46.29 52.03 -4.58 47.00 51.25 -4.89 3 0 23.46 -999 ? MG MG A 183 >LEU~A 162 52.23 51.28 -6.40 52.90 49.53 -7.47 52.56 50.40 -6.94 3 0 28.12 -999 ? MG MG A 183 >ILE~A 163 51.44 53.63 -0.88 51.41 52.89 0.33 51.43 53.26 -0.28 3 0 24.19 -999 ? MG MG A 183 >GLY~A 164 55.26 54.66 -3.44 54.53 54.75 -3.85 54.89 54.71 -3.65 1 0 29.28 -999 ? MG MG A 183 >GLY~A 165 53.62 55.97 -6.63 53.40 56.21 -5.95 53.51 56.09 -6.29 1 0 30.57 -999 ? MG MG A 183 >HIS~A 166 49.62 57.31 -5.04 48.74 55.90 -6.32 49.18 56.61 -5.68 3 0 27.56 -999 ? MG MG A 183 >ASP~A 167 53.02 63.38 -3.88 53.91 63.24 -5.82 53.47 63.31 -4.85 2 0 34.05 -999 ? MG MG A 183 >ASP~A 168 49.75 63.63 -0.40 48.82 64.46 -2.08 49.29 64.04 -1.24 2 0 30.13 -999 ? MG MG A 183 >PRO~A 169 47.51 61.39 2.81 47.39 60.94 0.63 47.45 61.17 1.72 3 0 25.30 -999 ? MG MG A 183 >LYS~A 170 44.59 62.51 -1.68 41.65 67.36 -4.13 43.12 64.94 -2.91 2 0 30.68 -999 ? MG MG A 183 >GLN~A 171 48.26 62.64 -5.25 50.22 62.99 -6.06 49.24 62.81 -5.65 2 0 31.99 -999 ? MG MG A 183 >ILE~A 172 46.44 56.94 -1.68 47.16 56.08 -0.80 46.80 56.51 -1.24 3 0 23.38 -999 ? MG MG A 183 >ALA~A 173 42.28 58.12 -2.69 41.67 59.20 -1.87 41.97 58.66 -2.28 2 0 23.19 -999 ? MG MG A 183 >ASP~A 174 42.85 60.53 -6.86 42.07 62.44 -6.16 42.46 61.48 -6.51 2 0 28.33 -999 ? MG MG A 183 >THR~A 175 43.75 56.17 -7.65 45.84 55.39 -7.89 44.80 55.78 -7.77 2 0 26.86 -999 ? MG MG A 183 >ILE~A 176 41.14 54.08 -4.03 41.19 53.53 -2.73 41.16 53.81 -3.38 3 0 20.71 -999 ? MG MG A 183 >ARG~A 177 36.81 59.44 -7.20 34.29 59.47 -5.38 35.55 59.45 -6.29 2 0 24.46 -999 ? MG MG A 183 >TYR~A 178 41.48 55.54 -12.43 42.27 54.72 -14.97 41.88 55.13 -13.70 3 0 30.10 -999 ? MG MG A 183 >LEU~A 179 41.14 51.14 -9.22 43.23 50.88 -9.75 42.19 51.01 -9.49 3 0 24.97 -999 ? MG MG A 183 >LEU~A 180 36.08 52.20 -7.28 36.09 51.35 -5.29 36.08 51.77 -6.29 3 0 20.98 -999 ? MG MG A 183 >GLU~A 181 34.63 55.84 -10.33 34.85 58.00 -10.10 34.74 56.92 -10.21 2 0 27.27 -999 ? MG MG A 183 >LYS~A 182 36.25 50.93 -14.02 42.50 50.22 -14.42 39.37 50.57 -14.22 2 0 29.30 -999 ? MG MG A 183