REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-DEC-03 1RYL COMPND HYPOTHETICAL PROTEIN YFBM; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YFBM, B2272; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,E.EVDOKIMOVA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) >MET.A 3 46.20 32.01 8.65 48.05 29.47 5.93 47.13 30.74 7.29 2 0 1000.00 -999 ? >ILE^A 4 42.26 32.68 11.38 41.68 33.23 11.02 41.97 32.96 11.20 3 0 1000.00 -999 ? >GLY^A 5 40.75 28.59 10.29 40.49 29.08 10.90 40.62 28.84 10.59 1 0 1000.00 -999 ? >TYR^A 6 36.25 30.53 9.42 35.93 32.12 7.13 36.09 31.33 8.27 3 0 1000.00 -999 ? >PHE^A 7 35.50 24.11 10.84 38.05 23.09 11.45 36.78 23.60 11.14 3 0 1000.00 -999 ? >ALA^A 8 31.24 27.69 8.09 31.46 28.81 7.09 31.35 28.25 7.59 2 0 1000.00 -999 ? >GLU^A 9 25.29 26.06 8.47 24.15 25.79 10.24 24.72 25.92 9.36 2 0 1000.00 -999 ? >ILE^A 10 27.30 27.41 3.02 27.84 27.33 1.71 27.57 27.37 2.36 3 0 1000.00 -999 ? >ASP~A 11 21.50 27.09 2.86 21.35 28.96 1.87 21.42 28.02 2.37 2 0 1000.00 -999 ? >SER~A 12 22.06 24.93 -0.82 21.02 22.79 -0.40 21.54 23.86 -0.61 2 0 1000.00 -999 ? >GLU~A 13 20.49 30.39 -1.47 19.06 31.98 -1.52 19.78 31.19 -1.50 2 0 1000.00 -999 ? >LYS~A 14 24.42 29.87 -1.44 22.05 33.50 1.49 23.24 31.68 0.02 2 0 1000.00 -999 ? >ILE~A 15 26.97 25.65 -1.45 27.64 25.27 -1.69 27.31 25.46 -1.57 3 0 1000.00 -999 ? >ASN~A 16 24.01 26.20 -6.01 23.54 24.17 -5.59 23.77 25.19 -5.80 2 0 1000.00 -999 ? >GLN~A 17 24.90 32.71 -5.83 26.25 34.15 -5.03 25.57 33.43 -5.43 2 0 1000.00 -999 ? >LEU~A 18 29.75 29.61 -3.47 31.89 29.87 -3.31 30.82 29.74 -3.39 3 0 1000.00 -999 ? >LEU~A 19 29.69 25.69 -6.87 30.55 24.32 -5.43 30.12 25.00 -6.15 3 0 1000.00 -999 ? >GLU~A 20 26.04 28.03 -10.38 24.05 28.61 -10.00 25.05 28.32 -10.19 2 0 1000.00 -999 ? >SER~A 21 30.84 31.71 -9.93 29.77 33.12 -8.27 30.31 32.41 -9.10 2 0 1000.00 -999 ? >MET.A 27 38.94 31.96 -3.38 40.86 29.87 -0.31 39.90 30.91 -1.84 2 0 1000.00 -999 ? >ASP.A 28 40.72 36.27 -4.71 42.40 37.51 -4.27 41.56 36.89 -4.49 2 0 1000.00 -999 ? >ASN~A 29 37.52 38.69 -1.92 39.10 39.80 -2.84 38.31 39.24 -2.38 2 0 1000.00 -999 ? >ILE~A 30 37.01 33.09 0.53 36.54 32.46 0.66 36.77 32.78 0.60 3 0 1000.00 -999 ? >HIS~A 31 37.72 36.04 4.96 38.76 34.49 5.90 38.24 35.27 5.43 3 0 1000.00 -999 ? >ASP~A 32 33.40 39.26 0.90 32.67 41.23 1.02 33.04 40.24 0.96 2 0 1000.00 -999 ? >THR~A 33 30.99 35.60 0.12 31.55 34.70 -1.75 31.27 35.15 -0.82 2 0 1000.00 -999 ? >LEU~A 34 32.24 32.86 3.80 32.81 31.12 2.66 32.52 31.99 3.23 3 0 1000.00 -999 ? >SER.A 35 31.02 36.97 5.56 30.85 39.40 5.90 30.93 38.19 5.73 2 0 1000.00 -999 ? >GLY.A 36 27.36 36.38 6.39 27.81 35.73 6.32 27.58 36.05 6.36 1 0 1000.00 -999 ? >LEU.A 37 28.32 31.69 6.41 27.75 31.18 4.40 28.03 31.44 5.41 3 0 1000.00 -999 ? >ARG.A 38 25.90 29.36 13.68 25.24 28.19 16.44 25.57 28.78 15.06 2 0 1000.00 -999 ? >ARG^A 39 32.21 32.64 11.66 32.66 33.91 8.91 32.43 33.27 10.29 2 0 1000.00 -999 ? >LEU^A 40 33.16 26.30 14.46 34.16 25.31 16.12 33.66 25.80 15.29 3 0 1000.00 -999 ? >ASP^A 41 36.26 31.35 14.56 38.04 32.31 13.93 37.15 31.83 14.24 2 0 1000.00 -999 ? >ILE.A 42 39.52 26.55 15.84 39.26 25.26 15.33 39.39 25.91 15.58 3 0 1000.00 -999 ? >ASP.A 43 42.42 31.26 16.52 43.88 32.81 16.43 43.15 32.03 16.48 2 0 1000.00 -999 ? >LYS.A 44 45.35 29.35 14.28 46.77 34.47 12.97 46.06 31.91 13.63 2 0 1000.00 -999 ? >ARG~A 45 43.46 26.84 19.56 40.70 28.18 19.47 42.08 27.51 19.52 2 0 1000.00 -999 ? >TRP~A 46 44.17 27.25 11.30 46.75 25.68 8.77 45.46 26.47 10.04 3 0 1000.00 -999 ? >ASP~A 47 48.09 22.97 11.66 49.05 21.64 10.32 48.57 22.31 10.99 2 0 1000.00 -999 ? >PHE~A 48 47.78 23.18 17.31 49.70 25.17 17.75 48.74 24.17 17.53 3 0 1000.00 -999 ? >LEU~A 49 42.25 20.58 14.88 40.22 19.85 15.10 41.24 20.21 14.99 3 0 1000.00 -999 ? >HIS~A 50 45.22 18.03 9.51 45.47 16.70 7.91 45.35 17.37 8.71 3 0 1000.00 -999 ? >PHE~A 51 49.93 16.77 14.81 51.99 15.19 15.90 50.96 15.98 15.35 3 0 1000.00 -999 ? >GLY~A 52 45.82 15.52 16.71 45.67 15.35 15.94 45.74 15.43 16.32 1 0 1000.00 -999 ? >LEU~A 53 42.22 14.09 13.88 40.77 15.35 14.88 41.49 14.72 14.38 3 0 1000.00 -999 ? >THR~A 54 45.84 12.28 11.80 45.42 13.81 10.32 45.63 13.05 11.06 2 0 1000.00 -999 ? >GLY~A 55 49.42 12.52 13.06 49.13 12.98 12.42 49.28 12.75 12.74 1 0 1000.00 -999 ? >THR.A 56 50.29 14.74 10.10 49.47 13.47 8.53 49.88 14.11 9.31 2 0 1000.00 -999 ? >SER.A 57 50.11 18.41 9.10 50.98 20.58 8.43 50.55 19.49 8.76 2 0 1000.00 -999 ? >ALA.A 58 47.29 19.62 6.84 46.31 20.75 7.15 46.80 20.19 7.00 2 0 1000.00 -999 ? >PHE.A 59 50.83 23.16 5.40 49.98 25.79 5.91 50.40 24.47 5.65 3 0 1000.00 -999 ? >ASP.A 60 52.74 17.15 4.46 53.81 15.63 3.42 53.28 16.39 3.94 2 0 1000.00 -999 ? >PRO.A 61 47.14 15.97 3.30 48.81 15.28 4.59 47.98 15.62 3.94 3 0 1000.00 -999 ? >ALA.A 62 48.53 10.99 4.14 48.30 9.91 5.19 48.41 10.45 4.67 2 0 1000.00 -999 ? >LYS.A 63 46.80 9.94 0.92 49.70 11.21 -3.46 48.25 10.58 -1.27 2 0 1000.00 -999 ? >ASN.A 64 42.92 7.67 0.54 41.06 6.70 1.02 41.99 7.19 0.78 2 0 1000.00 -999 ? >ASP~A 65 43.99 10.73 5.60 44.05 10.50 7.71 44.02 10.62 6.66 2 0 1000.00 -999 ? >PRO~A 66 39.43 7.92 6.61 39.85 9.95 5.79 39.64 8.94 6.20 3 0 1000.00 -999 ? >LEU~A 67 41.13 11.34 10.30 40.37 10.00 11.82 40.75 10.67 11.06 3 0 1000.00 -999 ? >SER~A 68 42.09 14.58 7.19 43.65 15.59 5.61 42.87 15.08 6.40 2 0 1000.00 -999 ? >ARG~A 69 38.41 13.02 1.90 38.69 10.00 2.42 38.55 11.51 2.16 2 0 1000.00 -999 ? >ALA~A 70 36.97 15.26 8.43 37.15 14.34 9.63 37.06 14.80 9.03 2 0 1000.00 -999 ? >VAL~A 71 38.83 18.53 9.09 40.39 18.88 10.60 39.61 18.71 9.85 3 0 1000.00 -999 ? >LEU~A 72 40.96 19.46 4.84 42.96 19.98 5.45 41.96 19.72 5.15 3 0 1000.00 -999 ? >GLY~A 73 36.47 18.76 3.98 37.10 18.23 3.91 36.78 18.49 3.95 1 0 1000.00 -999 ? >GLU.A 74 33.58 14.26 2.39 34.87 12.61 2.14 34.22 13.44 2.27 2 0 1000.00 -999 ? >HIS^A 75 34.03 17.39 -2.41 32.70 15.76 -2.44 33.36 16.57 -2.43 3 0 1000.00 -999 ? >SER^A 76 39.21 20.39 -1.69 41.62 20.82 -1.89 40.42 20.60 -1.79 2 0 1000.00 -999 ? >LEU^A 77 36.66 24.24 -3.24 34.62 23.58 -2.99 35.64 23.91 -3.11 3 0 1000.00 -999 ? >GLU^A 78 41.06 27.50 -4.33 43.15 27.65 -4.62 42.11 27.58 -4.48 2 0 1000.00 -999 ? >ASP.A 79 44.73 23.39 -1.64 46.37 22.87 -0.44 45.55 23.13 -1.04 2 0 1000.00 -999 ? >ASP.A 82 46.65 31.58 -1.58 48.39 32.70 -1.95 47.52 32.14 -1.77 2 0 1000.00 -999 ? >GLY.A 83 44.69 28.88 1.99 44.75 28.49 1.27 44.72 28.68 1.63 1 0 1000.00 -999 ? >PHE^A 84 43.93 24.19 3.20 46.54 23.21 3.52 45.24 23.70 3.36 3 0 1000.00 -999 ? >LEU^A 85 38.39 26.78 -0.15 36.51 27.85 -0.27 37.45 27.32 -0.21 3 0 1000.00 -999 ? >GLY^A 86 36.98 22.54 1.49 36.48 23.19 1.66 36.73 22.87 1.57 1 0 1000.00 -999 ? >LEU^A 87 32.77 21.76 -0.20 30.69 21.92 -0.77 31.73 21.84 -0.49 3 0 1000.00 -999 ? >THR^A 88 31.34 18.61 2.75 32.14 17.51 4.46 31.74 18.06 3.61 2 0 1000.00 -999 ? >TRP~A 89 29.09 17.70 -1.71 26.85 20.61 -3.12 27.97 19.15 -2.41 3 0 1000.00 -999 ? >ASN~A 90 23.46 18.18 3.65 22.19 17.72 5.29 22.83 17.95 4.47 2 0 1000.00 -999 ? >GLN~A 91 23.03 14.02 0.27 21.73 12.54 1.07 22.38 13.28 0.67 2 0 1000.00 -999 ? >GLU~A 92 29.24 13.90 1.11 30.68 14.99 -0.01 29.96 14.44 0.55 2 0 1000.00 -999 ? >LEU~A 93 27.31 16.14 7.41 28.04 18.18 7.35 27.68 17.16 7.38 3 0 1000.00 -999 ? >ALA~A 94 26.55 11.91 8.76 25.30 11.12 8.32 25.92 11.52 8.54 2 0 1000.00 -999 ? >ALA~A 95 29.54 9.78 7.76 29.92 9.43 6.33 29.73 9.61 7.04 2 0 1000.00 -999 ? >THR~A 96 32.01 12.49 8.81 32.74 14.32 7.91 32.38 13.40 8.36 2 0 1000.00 -999 ? >ILE~A 97 28.79 13.30 12.35 27.79 14.17 12.78 28.29 13.74 12.56 3 0 1000.00 -999 ? >ASP~A 98 29.43 8.10 11.88 29.59 6.15 12.67 29.51 7.12 12.27 2 0 1000.00 -999 ? >ARG~A 99 36.28 9.08 8.80 34.21 8.88 6.54 35.24 8.98 7.67 2 0 1000.00 -999 ? >LEU~A 100 34.54 13.01 14.31 35.61 14.48 13.15 35.07 13.74 13.73 3 0 1000.00 -999 ? >GLU~A 101 30.35 11.64 16.97 28.22 11.66 17.02 29.28 11.65 16.99 2 0 1000.00 -999 ? >SER~A 102 33.84 6.69 16.65 32.43 5.69 14.95 33.13 6.19 15.80 2 0 1000.00 -999 ? >LEU~A 103 38.05 9.06 17.21 38.99 9.59 15.34 38.52 9.32 16.27 3 0 1000.00 -999 ? >ASP~A 104 39.70 4.88 20.70 40.09 4.21 22.69 39.89 4.55 21.70 2 0 1000.00 -999 ? >ARG~A 105 37.59 10.53 22.01 35.19 11.28 20.21 36.39 10.90 21.11 2 0 1000.00 -999 ? >ASN~A 106 42.39 5.68 25.44 41.39 5.96 27.30 41.89 5.82 26.37 2 0 1000.00 -999 ? >GLU~A 107 43.80 4.47 19.09 42.56 3.63 17.60 43.18 4.05 18.35 2 0 1000.00 -999 ? >LEU~A 108 43.14 10.42 19.82 41.90 10.71 18.08 42.52 10.57 18.95 3 0 1000.00 -999 ? >ARG~A 109 46.73 12.21 25.53 49.76 12.71 25.69 48.25 12.46 25.61 2 0 1000.00 -999 ? >LYS~A 110 48.43 7.42 22.86 50.86 3.58 26.13 49.65 5.50 24.50 2 0 1000.00 -999 ? >GLN~A 111 47.75 6.97 18.00 49.24 5.49 17.60 48.50 6.23 17.80 2 0 1000.00 -999 ? >PHE~A 112 49.01 14.50 20.90 49.48 17.25 20.86 49.24 15.87 20.88 3 0 1000.00 -999 ? >SER~A 113 53.35 13.27 20.74 55.69 12.80 20.40 54.52 13.03 20.57 2 0 1000.00 -999 ? >ILE~A 114 54.53 17.43 22.91 54.57 18.24 23.04 54.55 17.83 22.98 3 0 1000.00 -999 ? >LYS~A 115 57.92 15.73 20.28 61.13 12.30 24.53 59.53 14.02 22.41 2 0 1000.00 -999 ? >ARG~A 116 55.18 11.04 16.51 53.73 12.04 14.00 54.46 11.54 15.26 2 0 1000.00 -999 ? >LEU~A 117 53.48 18.39 17.75 52.35 20.23 17.99 52.92 19.31 17.87 3 0 1000.00 -999 ? >ASN~A 118 58.44 20.06 18.73 57.42 20.88 20.42 57.93 20.47 19.58 2 0 1000.00 -999 ? >GLU~A 119 61.26 16.15 14.26 60.57 15.85 12.30 60.92 16.00 13.28 2 0 1000.00 -999 ? >MET~A 120 57.19 18.13 12.15 54.74 14.76 12.05 55.96 16.44 12.10 2 0 1000.00 -999 ? >GLU.A 121 59.16 22.64 12.41 60.57 23.72 11.24 59.87 23.18 11.83 2 0 1000.00 -999 ? >ILE.A 122 52.10 21.07 13.75 51.44 20.10 12.93 51.77 20.58 13.34 3 0 1000.00 -999 ? >TYR.A 123 50.14 27.02 10.61 49.69 29.77 10.32 49.91 28.40 10.47 3 0 1000.00 -999 ? >PRO.A 124 51.40 28.42 15.49 51.63 27.35 13.56 51.51 27.89 14.52 3 0 1000.00 -999 ? >GLY.A 125 55.42 26.17 13.65 55.11 26.49 14.26 55.26 26.33 13.96 1 0 1000.00 -999 ? >VAL.A 126 56.24 27.16 17.24 54.75 28.63 17.81 55.49 27.89 17.53 3 0 1000.00 -999 ? >THR.A 127 57.77 24.71 19.73 59.76 23.86 19.85 58.76 24.28 19.79 2 0 1000.00 -999 ? >PHE.A 128 53.69 23.65 21.96 51.79 25.06 20.47 52.74 24.35 21.21 3 0 1000.00 -999 ? >SER~A 129 57.58 22.49 26.18 57.55 24.47 27.59 57.56 23.48 26.88 2 0 1000.00 -999 ? >GLU~A 130 59.07 17.85 24.85 61.02 17.05 24.83 60.05 17.45 24.84 2 0 1000.00 -999 ? >GLU~A 131 57.28 19.78 31.35 58.78 21.27 31.12 58.03 20.52 31.24 2 0 1000.00 -999 ? >LEU~A 132 52.54 22.04 26.99 52.65 23.95 27.96 52.60 23.00 27.47 3 0 1000.00 -999 ? >GLU~A 133 52.00 15.23 24.79 53.25 13.54 24.62 52.63 14.39 24.70 2 0 1000.00 -999 ? >GLY~A 134 48.60 16.63 27.89 48.80 17.34 27.56 48.70 16.99 27.72 1 0 1000.00 -999 ? >GLN~A 135 48.02 21.38 30.00 49.09 23.03 30.83 48.56 22.20 30.41 2 0 1000.00 -999 ? >LEU~A 136 49.09 20.54 23.35 49.37 21.56 21.45 49.23 21.05 22.40 3 0 1000.00 -999 ? >PHE~A 137 45.44 14.87 23.59 43.58 12.93 22.79 44.51 13.90 23.19 3 0 1000.00 -999 ? >ALA~A 138 43.13 18.27 25.72 43.24 18.60 27.21 43.19 18.43 26.47 2 0 1000.00 -999 ? >SER~A 139 42.87 21.60 23.90 43.59 23.75 23.06 43.23 22.68 23.48 2 0 1000.00 -999 ? >ILE~A 140 43.80 18.86 20.00 44.78 18.49 19.06 44.29 18.68 19.53 3 0 1000.00 -999 ? >MET~A 141 39.94 17.43 21.82 40.45 14.22 21.33 40.20 15.83 21.57 2 0 1000.00 -999 ? >LEU~A 142 38.42 21.65 23.75 37.06 22.98 24.77 37.74 22.31 24.26 3 0 1000.00 -999 ? >ASP~A 143 39.47 22.31 18.55 40.09 24.26 19.07 39.78 23.28 18.81 2 0 1000.00 -999 ? >MET~A 144 37.23 18.47 17.91 37.96 14.30 18.03 37.60 16.38 17.97 2 0 1000.00 -999 ? >GLU~A 145 34.65 17.15 22.33 33.49 15.46 21.79 34.07 16.30 22.06 2 0 1000.00 -999 ? >LYS~A 146 33.22 21.93 18.95 35.91 26.53 22.33 34.57 24.23 20.64 2 0 1000.00 -999 ? >LEU~A 147 34.88 20.23 14.69 35.30 20.25 12.58 35.09 20.24 13.63 3 0 1000.00 -999 ? >ILE~A 148 31.68 16.60 17.03 31.87 15.24 17.43 31.78 15.92 17.23 3 0 1000.00 -999 ? >SER~A 149 28.72 19.89 17.42 28.92 19.96 19.83 28.82 19.92 18.63 2 0 1000.00 -999 ? >ALA~A 150 28.93 22.23 14.44 30.18 22.99 13.97 29.56 22.61 14.20 2 0 1000.00 -999 ? >TYR~A 151 30.93 18.61 11.07 33.34 19.19 9.73 32.14 18.90 10.40 3 0 1000.00 -999 ? >ARG~A 152 26.76 15.79 16.90 24.64 13.60 17.17 25.70 14.70 17.04 2 0 1000.00 -999 ? >ARG~A 153 24.01 25.03 14.44 26.83 25.84 13.57 25.42 25.43 14.01 2 0 1000.00 -999 ? >MET~A 154 24.58 21.65 9.97 28.44 22.91 8.98 26.51 22.28 9.47 2 0 1000.00 -999 ? >LEU~A 155 23.99 16.82 9.82 23.60 14.80 9.17 23.79 15.81 9.50 3 0 1000.00 -999 ? >ARG~A 156 19.12 19.48 14.75 21.30 21.11 16.16 20.21 20.30 15.46 2 0 1000.00 -999 ? >GLN~A 157 20.22 23.37 11.41 18.32 23.56 12.37 19.27 23.46 11.89 2 0 1000.00 -999 ? >GLY.A 158 19.98 20.47 5.99 20.51 20.96 6.34 20.24 20.72 6.16 1 0 1000.00 -999 ? >ASN.A 159 23.32 23.85 6.18 21.63 25.13 6.33 22.48 24.49 6.26 2 0 1000.00 -999 ? >HIS^A 160 25.52 21.78 1.84 23.68 21.54 0.84 24.60 21.66 1.34 3 0 1000.00 -999 ? >ALA^A 161 30.05 22.57 5.57 30.62 21.52 6.51 30.33 22.05 6.04 2 0 1000.00 -999 ? >LEU^A 162 32.48 26.14 3.71 31.91 26.54 1.67 32.19 26.34 2.69 3 0 1000.00 -999 ? >THR^A 163 36.33 24.61 5.87 37.57 23.03 6.65 36.95 23.82 6.26 2 0 1000.00 -999 ? >VAL^A 164 38.09 27.93 5.36 36.90 29.62 4.66 37.50 28.78 5.01 3 0 1000.00 -999 ? >ILE^A 165 42.61 27.04 6.30 43.24 26.03 7.05 42.93 26.53 6.68 3 0 1000.00 -999 ? >VAL^A 166 43.34 31.58 4.95 42.25 32.64 3.37 42.80 32.11 4.16 3 0 1000.00 -999 ? >MET.B 3 21.27 33.84 30.16 18.06 36.23 31.40 19.66 35.03 30.78 2 0 1000.00 -999 ? >ILE^B 4 24.60 33.06 26.75 24.30 32.54 26.12 24.45 32.80 26.43 3 0 1000.00 -999 ? >GLY^B 5 23.80 37.04 24.87 24.44 36.56 24.74 24.12 36.80 24.81 1 0 1000.00 -999 ? >TYR^B 6 23.68 35.05 20.20 21.48 33.54 19.32 22.58 34.30 19.76 3 0 1000.00 -999 ? >PHE^B 7 25.32 41.52 19.87 25.43 42.49 22.50 25.37 42.01 21.18 3 0 1000.00 -999 ? >ALA^B 8 23.25 37.91 15.25 22.21 36.80 15.33 22.73 37.35 15.29 2 0 1000.00 -999 ? >GLU^B 9 24.46 39.62 9.42 26.35 39.68 8.44 25.41 39.65 8.93 2 0 1000.00 -999 ? >ILE^B 10 18.69 38.14 10.80 17.31 38.25 11.13 18.00 38.20 10.96 3 0 1000.00 -999 ? >ASP~B 11 19.36 38.12 5.01 18.47 36.20 4.87 18.91 37.16 4.94 2 0 1000.00 -999 ? >SER~B 12 15.65 40.43 4.97 16.27 42.53 3.93 15.96 41.48 4.45 2 0 1000.00 -999 ? >GLU~B 13 14.02 34.84 2.71 14.91 33.55 1.27 14.47 34.19 1.99 2 0 1000.00 -999 ? >LYS~B 14 14.58 35.52 7.24 20.32 34.05 7.76 17.45 34.79 7.50 2 0 1000.00 -999 ? >ILE~B 15 14.29 39.79 9.68 13.97 40.20 10.31 14.13 40.00 10.00 3 0 1000.00 -999 ? >ASN~B 16 10.38 39.53 5.92 11.23 41.42 5.48 10.80 40.47 5.70 2 0 1000.00 -999 ? >GLN~B 17 9.94 32.97 7.35 10.83 31.49 6.10 10.39 32.23 6.72 2 0 1000.00 -999 ? >LEU~B 19 8.35 40.21 11.34 9.86 41.37 12.39 9.11 40.79 11.86 3 0 1000.00 -999 ? >GLU.B 20 4.83 36.63 7.45 5.33 38.67 7.16 5.08 37.65 7.30 2 0 1000.00 -999 ? >ILE~B 30 11.71 31.23 16.68 12.80 31.60 17.69 12.26 31.41 17.19 3 0 1000.00 -999 ? >HIS~B 31 14.30 28.10 19.47 12.75 28.53 20.81 13.52 28.31 20.14 3 0 1000.00 -999 ? >ASP~B 32 14.60 26.44 13.06 13.55 25.04 14.22 14.08 25.74 13.64 2 0 1000.00 -999 ? >THR~B 33 16.34 30.46 12.16 15.00 31.94 11.31 15.67 31.20 11.73 2 0 1000.00 -999 ? >LEU~B 34 18.35 31.90 16.31 17.25 33.59 17.08 17.80 32.75 16.70 3 0 1000.00 -999 ? >SER~B 35 20.91 28.64 14.77 19.77 26.66 13.90 20.34 27.65 14.34 2 0 1000.00 -999 ? >GLY.B 36 21.82 29.37 11.16 21.81 29.99 11.68 21.81 29.68 11.42 1 0 1000.00 -999 ? >LEU.B 37 21.87 33.98 12.48 19.92 34.64 11.85 20.90 34.31 12.17 3 0 1000.00 -999 ? >ARG^B 38 29.37 36.19 10.72 32.21 37.22 10.29 30.79 36.70 10.51 2 0 1000.00 -999 ? >ARG^B 39 26.63 32.98 16.87 23.94 31.49 16.94 25.29 32.24 16.91 2 0 1000.00 -999 ? >LEU^B 40 29.24 39.26 18.05 30.79 40.24 19.20 30.01 39.75 18.63 3 0 1000.00 -999 ? >ASP^B 41 28.80 34.26 21.22 27.91 33.31 22.89 28.35 33.78 22.06 2 0 1000.00 -999 ? >ILE.B 42 29.63 39.15 24.58 29.14 40.44 24.26 29.38 39.80 24.42 3 0 1000.00 -999 ? >ASP.B 43 29.77 34.43 27.60 29.36 32.90 29.02 29.57 33.67 28.31 2 0 1000.00 -999 ? >LYS.B 44 27.15 36.43 30.06 25.94 30.97 32.98 26.55 33.70 31.52 2 0 1000.00 -999 ? >ARG~B 45 32.68 39.04 29.04 32.89 37.60 26.33 32.79 38.32 27.69 2 0 1000.00 -999 ? >TRP~B 46 24.37 38.50 28.41 21.42 40.01 30.53 22.89 39.26 29.47 3 0 1000.00 -999 ? >ASP~B 47 24.06 42.82 32.21 22.48 44.08 32.89 23.27 43.45 32.55 2 0 1000.00 -999 ? >PHE~B 48 29.70 42.63 32.91 29.93 40.75 34.99 29.81 41.69 33.95 3 0 1000.00 -999 ? >LEU~B 49 28.13 45.16 27.00 28.68 45.88 25.03 28.40 45.52 26.01 3 0 1000.00 -999 ? >HIS~B 50 22.38 47.79 28.95 20.78 49.15 28.97 21.58 48.47 28.96 3 0 1000.00 -999 ? >PHE~B 51 26.79 49.01 34.52 27.51 50.64 36.68 27.15 49.83 35.60 3 0 1000.00 -999 ? >GLY~B 52 29.31 50.24 30.72 28.58 50.40 30.43 28.95 50.32 30.57 1 0 1000.00 -999 ? >LEU~B 53 27.16 51.65 26.69 28.58 50.91 25.26 27.87 51.28 25.98 3 0 1000.00 -999 ? >THR~B 54 24.49 53.49 29.89 23.12 51.93 29.27 23.81 52.71 29.58 2 0 1000.00 -999 ? >GLY~B 55 25.14 53.20 33.63 24.54 52.75 33.22 24.84 52.97 33.42 1 0 1000.00 -999 ? >THR.B 56 22.09 50.95 33.94 20.70 52.28 32.96 21.40 51.61 33.45 2 0 1000.00 -999 ? >SER.B 57 21.11 47.28 33.71 20.27 45.15 34.53 20.69 46.22 34.12 2 0 1000.00 -999 ? >ALA.B 58 19.33 46.00 30.61 19.81 44.85 29.73 19.57 45.42 30.17 2 0 1000.00 -999 ? >PHE.B 59 17.25 42.50 33.78 18.16 39.93 33.13 17.70 41.22 33.46 3 0 1000.00 -999 ? >ASP.B 60 15.61 48.52 35.33 14.72 50.35 35.94 15.17 49.44 35.64 2 0 1000.00 -999 ? >PRO.B 61 15.97 49.71 29.68 16.91 50.32 31.60 16.44 50.02 30.64 3 0 1000.00 -999 ? >ALA.B 62 16.80 54.63 31.21 17.92 55.66 31.07 17.36 55.15 31.14 2 0 1000.00 -999 ? >LYS.B 63 13.73 55.80 29.28 9.41 54.53 32.28 11.57 55.16 30.78 2 0 1000.00 -999 ? >ASN.B 64 13.75 57.79 25.29 14.57 58.78 23.57 14.16 58.29 24.43 2 0 1000.00 -999 ? >ASP~B 65 18.75 55.03 27.02 20.83 55.36 27.26 19.79 55.19 27.14 2 0 1000.00 -999 ? >PRO~B 66 20.40 57.68 22.66 19.48 55.68 22.94 19.94 56.68 22.80 3 0 1000.00 -999 ? >LEU~B 67 23.79 54.47 24.92 25.57 55.55 24.38 24.68 55.01 24.65 3 0 1000.00 -999 ? >SER~B 68 20.67 51.19 25.43 18.86 50.23 26.69 19.76 50.71 26.06 2 0 1000.00 -999 ? >ARG~B 69 16.00 52.67 21.02 16.63 55.67 21.32 16.32 54.17 21.17 2 0 1000.00 -999 ? >ALA~B 70 22.63 50.22 20.57 23.79 51.16 20.83 23.21 50.69 20.70 2 0 1000.00 -999 ? >VAL~B 71 22.96 47.07 22.70 24.18 46.82 24.51 23.57 46.95 23.60 3 0 1000.00 -999 ? >LEU~B 72 18.44 46.25 24.12 18.80 45.73 26.20 18.62 45.99 25.16 3 0 1000.00 -999 ? >GLY~B 73 18.29 46.78 19.50 18.13 47.32 20.12 18.21 47.05 19.81 1 0 1000.00 -999 ? >GLU.B 74 17.27 51.35 16.54 16.73 53.03 17.72 17.00 52.19 17.13 2 0 1000.00 -999 ? >HIS^B 75 12.43 48.53 15.85 12.74 50.19 14.61 12.59 49.36 15.23 3 0 1000.00 -999 ? >SER^B 76 12.14 45.09 20.86 11.48 44.29 23.04 11.81 44.69 21.95 2 0 1000.00 -999 ? >LEU.B 77 11.18 41.08 18.43 11.76 41.69 16.43 11.47 41.38 17.43 3 0 1000.00 -999 ? >PHE.B 84 16.67 41.25 26.99 16.47 42.69 29.40 16.57 41.97 28.20 3 0 1000.00 -999 ? >LEU^B 85 13.90 38.95 20.92 14.07 37.76 19.12 13.99 38.36 20.02 3 0 1000.00 -999 ? >GLY^B 86 15.75 43.11 19.60 16.05 42.48 19.18 15.90 42.79 19.39 1 0 1000.00 -999 ? >LEU^B 87 14.74 43.75 15.12 14.58 43.60 12.97 14.66 43.67 14.05 3 0 1000.00 -999 ? >THR^B 88 17.90 46.91 14.32 19.44 48.01 15.33 18.67 47.46 14.82 2 0 1000.00 -999 ? >TRP~B 89 13.79 48.04 11.31 12.73 44.81 9.33 13.26 46.43 10.32 3 0 1000.00 -999 ? >ASN~B 90 20.07 47.07 6.79 21.77 47.66 5.63 20.92 47.37 6.21 2 0 1000.00 -999 ? >GLN~B 91 16.67 51.22 7.60 14.89 51.74 6.57 15.78 51.48 7.08 2 0 1000.00 -999 ? >GLU~B 92 16.92 51.52 11.76 15.48 50.61 12.99 16.20 51.07 12.37 2 0 1000.00 -999 ? >LEU~B 93 23.37 49.26 11.07 23.17 47.21 11.75 23.27 48.24 11.41 3 0 1000.00 -999 ? >ALA~B 94 24.67 53.56 10.43 24.34 54.33 9.16 24.50 53.95 9.80 2 0 1000.00 -999 ? >ALA~B 95 23.23 55.67 13.27 21.74 55.99 13.44 22.48 55.83 13.35 2 0 1000.00 -999 ? >THR~B 96 23.95 52.97 15.85 22.99 51.11 16.43 23.47 52.04 16.14 2 0 1000.00 -999 ? >ILE~B 97 27.97 52.25 13.21 28.59 51.39 12.27 28.28 51.82 12.74 3 0 1000.00 -999 ? >ASP~B 98 27.28 57.45 13.88 28.07 59.40 14.07 27.68 58.42 13.98 2 0 1000.00 -999 ? >ARG~B 99 22.81 56.37 18.50 20.06 56.21 17.15 21.44 56.29 17.83 2 0 1000.00 -999 ? >LEU~B 100 29.00 52.55 19.19 27.69 51.11 20.14 28.34 51.83 19.67 3 0 1000.00 -999 ? >GLU~B 101 32.21 53.93 15.33 32.38 54.06 13.21 32.30 53.99 14.27 2 0 1000.00 -999 ? >SER~B 102 31.47 58.80 18.78 30.22 59.73 16.94 30.84 59.26 17.86 2 0 1000.00 -999 ? >LEU~B 103 31.15 56.62 23.15 29.20 56.02 23.89 30.17 56.32 23.52 3 0 1000.00 -999 ? >ASP~B 104 34.27 60.85 25.25 36.14 61.58 25.95 35.21 61.22 25.60 2 0 1000.00 -999 ? >ARG~B 105 35.85 54.48 23.70 34.83 54.43 20.77 35.34 54.46 22.24 2 0 1000.00 -999 ? >ASN~B 106 38.49 59.92 28.80 40.45 59.60 28.01 39.47 59.76 28.40 2 0 1000.00 -999 ? >GLU~B 107 32.06 61.36 29.56 30.49 62.02 28.32 31.28 61.69 28.94 2 0 1000.00 -999 ? >LEU~B 108 32.81 55.28 28.65 31.32 55.08 27.11 32.07 55.18 27.88 3 0 1000.00 -999 ? >ARG~B 109 37.78 53.53 33.20 37.77 53.19 36.25 37.77 53.36 34.73 2 0 1000.00 -999 ? >LYS~B 110 34.94 58.22 34.53 33.63 64.39 35.32 34.29 61.31 34.92 2 0 1000.00 -999 ? >GLN~B 111 29.00 56.63 33.49 27.81 56.66 31.72 28.41 56.64 32.60 2 0 1000.00 -999 ? >PHE~B 112 32.90 51.26 34.57 32.67 48.51 34.98 32.79 49.88 34.78 3 0 1000.00 -999 ? >SER~B 113 31.96 52.54 38.90 31.17 53.20 41.11 31.57 52.87 40.01 2 0 1000.00 -999 ? >ILE~B 114 33.69 48.55 41.11 33.72 47.19 40.61 33.71 47.87 40.86 3 0 1000.00 -999 ? >LYS~B 115 30.39 50.13 43.60 33.03 54.93 45.41 31.71 52.53 44.51 2 0 1000.00 -999 ? >ARG~B 116 26.51 53.89 38.58 23.57 54.78 38.61 25.04 54.33 38.59 2 0 1000.00 -999 ? >LEU~B 117 28.94 47.56 38.73 29.33 45.64 37.81 29.13 46.60 38.27 3 0 1000.00 -999 ? >ASN~B 118 28.42 46.09 43.78 30.33 45.35 43.20 29.37 45.72 43.49 2 0 1000.00 -999 ? >GLU~B 119 24.56 50.03 45.52 26.19 49.03 46.40 25.38 49.53 45.96 2 0 1000.00 -999 ? >MET~B 120 22.70 48.26 40.33 22.14 51.28 38.53 22.42 49.77 39.43 2 0 1000.00 -999 ? >GLU~B 121 21.55 44.37 42.81 19.67 44.11 43.74 20.61 44.24 43.28 2 0 1000.00 -999 ? >ILE.B 122 25.26 44.82 36.46 24.66 45.69 35.48 24.96 45.26 35.97 3 0 1000.00 -999 ? >TYR.B 123 22.61 38.75 34.09 22.46 35.99 33.68 22.53 37.37 33.88 3 0 1000.00 -999 ? >PRO.B 124 27.10 37.38 36.23 25.21 38.52 36.14 26.15 37.95 36.18 3 0 1000.00 -999 ? >GLY.B 125 24.66 39.71 39.91 25.34 39.44 39.69 25.00 39.58 39.80 1 0 1000.00 -999 ? >VAL.B 126 28.10 38.72 41.22 28.90 37.21 39.87 28.50 37.96 40.54 3 0 1000.00 -999 ? >THR.B 127 29.86 41.53 43.08 29.37 41.30 45.17 29.61 41.41 44.12 2 0 1000.00 -999 ? >PHE.B 128 33.12 42.37 39.57 32.42 40.67 37.47 32.77 41.52 38.52 3 0 1000.00 -999 ? >SER~B 129 36.32 44.19 43.94 37.40 42.06 44.31 36.86 43.13 44.13 2 0 1000.00 -999 ? >GLU~B 130 35.76 49.13 45.15 35.44 47.45 46.40 35.60 48.29 45.77 2 0 1000.00 -999 ? >GLU~B 131 42.44 44.97 42.57 43.05 43.10 43.40 42.74 44.03 42.98 2 0 1000.00 -999 ? >LEU~B 132 38.57 43.81 39.18 39.49 42.22 40.31 39.03 43.01 39.75 3 0 1000.00 -999 ? >GLU~B 133 36.16 50.52 38.21 35.92 52.29 39.34 36.04 51.41 38.77 2 0 1000.00 -999 ? >GLY~B 134 39.95 49.13 35.23 39.60 48.40 35.39 39.77 48.76 35.31 1 0 1000.00 -999 ? >GLN~B 135 42.12 44.34 35.03 42.75 42.72 36.27 42.44 43.53 35.65 2 0 1000.00 -999 ? >LEU~B 136 35.38 45.29 35.08 33.46 44.28 35.01 34.42 44.79 35.04 3 0 1000.00 -999 ? >PHE~B 137 36.06 50.95 31.54 35.45 52.85 29.58 35.76 51.90 30.56 3 0 1000.00 -999 ? >ALA~B 138 38.66 47.49 29.53 40.11 47.16 29.87 39.38 47.32 29.70 2 0 1000.00 -999 ? >SER~B 139 36.90 44.14 29.07 35.82 42.07 29.66 36.36 43.10 29.37 2 0 1000.00 -999 ? >ILE~B 140 32.91 46.87 29.22 31.80 47.19 30.04 32.35 47.03 29.63 3 0 1000.00 -999 ? >MET~B 141 35.40 48.27 25.75 34.85 51.52 26.12 35.13 49.90 25.94 2 0 1000.00 -999 ? >LEU~B 142 37.64 44.08 24.56 38.89 42.72 23.41 38.26 43.40 23.99 3 0 1000.00 -999 ? >ASP~B 143 32.31 43.37 24.81 32.78 41.47 25.61 32.55 42.42 25.21 2 0 1000.00 -999 ? >MET~B 144 32.08 47.19 22.45 31.80 51.36 23.13 31.94 49.27 22.79 2 0 1000.00 -999 ? >GLU~B 145 36.86 48.48 20.53 36.49 50.20 19.32 36.67 49.34 19.93 2 0 1000.00 -999 ? >LYS~B 146 33.75 43.71 18.62 36.62 39.17 21.94 35.18 41.44 20.28 2 0 1000.00 -999 ? >LEU~B 147 29.26 45.34 19.64 27.10 45.22 19.74 28.18 45.28 19.69 3 0 1000.00 -999 ? >ILE~B 148 31.89 49.00 16.75 32.18 50.40 17.00 32.03 49.70 16.88 3 0 1000.00 -999 ? >SER~B 149 32.88 45.72 13.90 35.20 45.67 14.59 34.04 45.69 14.24 2 0 1000.00 -999 ? >ALA~B 150 29.93 43.31 13.72 29.28 42.62 14.91 29.60 42.96 14.32 2 0 1000.00 -999 ? >TYR~B 151 26.32 46.94 15.12 24.64 46.34 17.28 25.48 46.64 16.20 3 0 1000.00 -999 ? >ARG~B 152 32.78 49.83 11.66 33.29 51.97 9.52 33.04 50.90 10.59 2 0 1000.00 -999 ? >ARG~B 153 30.69 40.48 9.00 29.45 39.76 11.73 30.07 40.12 10.36 2 0 1000.00 -999 ? >MET~B 154 26.18 43.83 8.69 24.45 42.64 12.32 25.31 43.24 10.50 2 0 1000.00 -999 ? >LEU~B 155 26.21 48.65 7.94 25.54 50.67 7.57 25.88 49.66 7.76 3 0 1000.00 -999 ? >ARG~B 156 31.44 45.96 4.36 32.99 44.88 6.80 32.22 45.42 5.58 2 0 1000.00 -999 ? >GLN~B 157 28.15 42.00 4.35 28.98 41.80 2.38 28.57 41.90 3.36 2 0 1000.00 -999 ? >GLY~B 158 22.76 44.88 3.62 23.07 44.38 4.18 22.91 44.63 3.90 1 0 1000.00 -999 ? >ASN.B 159 22.75 41.57 7.02 22.92 40.19 5.39 22.84 40.88 6.21 2 0 1000.00 -999 ? >HIS^B 160 17.93 43.64 8.62 17.11 43.95 6.71 17.52 43.79 7.66 3 0 1000.00 -999 ? >ALA^B 161 21.06 43.04 13.59 21.83 44.13 14.31 21.44 43.59 13.95 2 0 1000.00 -999 ? >LEU^B 162 18.65 39.52 15.43 16.62 38.77 15.54 17.64 39.15 15.49 3 0 1000.00 -999 ? >THR^B 163 20.13 40.96 19.75 20.69 42.54 21.14 20.41 41.75 20.44 2 0 1000.00 -999 ? >VAL^B 164 19.30 37.62 21.42 18.83 35.86 20.19 19.06 36.74 20.80 3 0 1000.00 -999 ? >ILE^B 165 19.52 38.47 26.08 20.07 39.50 26.82 19.79 38.98 26.45 3 0 1000.00 -999 ? >VAL^B 166 18.36 33.88 26.51 17.26 32.58 25.14 17.81 33.23 25.82 3 0 1000.00 -999 ?