REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-MAY-06 2DPW COMPND HYPOTHETICAL PROTEIN TTHA0179; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSETTA834 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR P.H.REHSE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 2 (RSGI) HET MSE A 1 8 HET MSE A 34 8 HET NA A 233 1 SITE 1 AC1 4 ARG A 172 ALA A 175 ARG A 178 HOH A 234 >MET?A 1 23.00 4.82 105.31 19.01 3.49 106.31 21.01 4.15 105.81 2 0 48.46 -999 ? NA NA A 233 >ARG.A 2 23.56 8.42 100.21 25.16 10.96 99.58 24.36 9.69 99.90 2 0 49.84 -999 ? NA NA A 233 >PRO.A 3 21.62 10.80 107.31 20.42 10.08 105.60 21.02 10.44 106.45 3 0 44.86 -999 ? NA NA A 233 >SER^A 4 16.81 11.77 104.07 15.43 9.82 103.80 16.12 10.80 103.94 2 0 42.46 -999 ? NA NA A 233 >ALA^A 5 16.13 15.23 102.76 17.32 15.82 102.04 16.73 15.52 102.40 2 0 40.49 -999 ? NA NA A 233 >ILE^A 6 11.70 16.44 101.86 10.45 15.74 102.13 11.08 16.09 102.00 3 0 36.33 -999 ? NA NA A 233 >VAL^A 7 12.78 19.16 98.38 14.44 19.61 97.13 13.61 19.38 97.75 3 0 38.15 -999 ? NA NA A 233 >LEU^A 8 8.77 21.55 99.19 7.89 20.31 100.72 8.33 20.93 99.96 3 0 32.84 -999 ? NA NA A 233 >ALA.A 9 10.14 22.31 94.54 11.11 21.66 93.58 10.62 21.99 94.06 2 0 38.09 -999 ? NA NA A 233 >GLY.A 10 6.45 22.02 93.96 6.91 22.69 94.21 6.68 22.36 94.08 1 0 35.19 -999 ? NA NA A 233 >GLY.A 11 4.55 25.13 93.04 4.78 24.73 92.38 4.66 24.93 92.71 1 0 33.54 -999 ? NA NA A 233 >LYS.A 12 3.18 26.62 89.85 -0.04 30.43 86.96 1.57 28.53 88.40 2 0 35.18 -999 ? NA NA A 233 >GLU.A 13 5.53 31.94 90.28 6.95 32.36 91.78 6.24 32.15 91.03 2 0 33.37 -999 ? NA NA A 233 >ALA~A 14 3.82 33.24 86.83 3.50 34.63 87.38 3.66 33.93 87.11 2 0 35.17 -999 ? NA NA A 233 >TRP~A 15 8.00 34.56 88.44 11.82 33.66 88.41 9.91 34.11 88.42 3 0 37.39 -999 ? NA NA A 233 >ALA~A 16 8.24 30.69 85.38 7.89 29.66 86.46 8.07 30.17 85.92 2 0 38.91 -999 ? NA NA A 233 >GLU~A 17 3.97 29.08 83.11 2.69 27.78 82.05 3.33 28.43 82.58 2 0 41.22 -999 ? NA NA A 233 >ARG~A 18 8.41 36.42 82.10 7.44 38.65 83.96 7.93 37.53 83.03 2 0 39.61 -999 ? NA NA A 233 >PHE.A 19 12.45 31.34 82.17 13.53 33.82 82.94 12.99 32.58 82.56 3 0 44.15 -999 ? NA NA A 233 >GLY.A 20 8.08 27.89 79.60 8.55 27.88 80.26 8.32 27.89 79.93 1 0 45.35 -999 ? NA NA A 233 >VAL.A 21 8.35 25.89 82.81 10.13 25.75 84.03 9.24 25.82 83.42 3 0 43.20 -999 ? NA NA A 233 >GLY.A 22 5.43 26.33 85.18 6.20 26.51 85.51 5.81 26.42 85.35 1 0 39.90 -999 ? NA NA A 233 >SER~A 23 7.26 25.74 88.48 7.95 24.35 90.37 7.60 25.05 89.42 2 0 37.54 -999 ? NA NA A 233 >LYS~A 24 9.91 28.24 89.63 10.23 32.15 94.19 10.07 30.19 91.91 2 0 33.39 -999 ? NA NA A 233 >ALA~A 25 12.26 25.36 90.59 11.84 24.18 91.44 12.05 24.77 91.02 2 0 38.89 -999 ? NA NA A 233 >LEU~A 26 11.53 23.56 86.21 10.77 21.57 86.65 11.15 22.56 86.43 3 0 42.89 -999 ? NA NA A 233 >VAL.A 27 13.64 27.80 85.84 12.82 29.80 86.11 13.23 28.80 85.98 3 0 42.30 -999 ? NA NA A 233 >PRO^A 28 16.42 27.13 82.56 16.54 27.68 84.71 16.48 27.40 83.63 3 0 46.34 -999 ? NA NA A 233 >TYR^A 29 20.48 30.07 89.16 22.23 31.78 90.55 21.36 30.93 89.85 3 0 44.23 -999 ? NA NA A 233 >ARG.A 30 25.56 30.98 88.81 26.90 32.68 90.96 26.23 31.83 89.89 2 0 47.43 -999 ? NA NA A 233 >GLY.A 31 23.06 26.73 83.34 22.53 26.71 83.87 22.79 26.72 83.60 1 0 50.83 -999 ? NA NA A 233 >ARG^A 32 23.66 22.29 86.77 23.98 19.76 88.44 23.82 21.02 87.60 2 0 50.35 -999 ? NA NA A 233 >PRO^A 33 16.96 22.17 84.76 17.87 23.81 85.95 17.41 22.99 85.35 3 0 46.98 -999 ? NA NA A 233 >MET?A 34 17.64 25.93 89.49 15.20 28.78 91.29 16.42 27.36 90.39 2 0 39.51 -999 ? NA NA A 233 >VAL.A 35 16.69 23.11 91.88 15.23 21.51 91.90 15.96 22.31 91.89 3 0 41.84 -999 ? NA NA A 233 >GLU.A 36 18.91 19.97 88.51 19.53 19.47 86.56 19.22 19.72 87.54 2 0 48.78 -999 ? NA NA A 233 >TRP.A 37 21.44 25.86 90.25 24.97 24.86 88.87 23.20 25.36 89.56 3 0 47.15 -999 ? NA NA A 233 >VAL.A 38 19.97 22.32 95.69 18.13 23.17 96.51 19.05 22.75 96.10 3 0 41.18 -999 ? NA NA A 233 >LEU.A 39 19.44 17.93 93.68 17.39 17.34 93.31 18.42 17.64 93.49 3 0 44.56 -999 ? NA NA A 233 >GLU.A 40 24.20 19.47 91.82 24.83 17.55 91.13 24.52 18.51 91.48 2 0 50.29 -999 ? NA NA A 233 >ALA.A 41 24.17 20.44 97.64 23.58 21.80 98.00 23.87 21.12 97.82 2 0 43.97 -999 ? NA NA A 233 >LEU.A 42 20.61 17.59 99.27 19.06 18.92 100.02 19.83 18.25 99.65 3 0 42.00 -999 ? NA NA A 233 >TYR.A 43 22.69 13.63 96.16 20.45 12.27 95.18 21.57 12.95 95.67 3 0 47.95 -999 ? NA NA A 233 >ALA.A 44 27.09 16.66 98.65 27.31 18.09 98.21 27.20 17.38 98.43 2 0 48.36 -999 ? NA NA A 233 >ALA.A 45 26.45 16.82 102.40 25.64 17.91 103.09 26.04 17.36 102.74 2 0 45.19 -999 ? NA NA A 233 >GLY.A 46 25.64 13.10 102.44 25.07 13.58 102.34 25.35 13.34 102.39 1 0 47.91 -999 ? NA NA A 233 >LEU.A 47 21.05 14.33 102.63 21.11 15.38 104.49 21.08 14.86 103.56 3 0 43.13 -999 ? NA NA A 233 >SER^A 48 19.34 11.29 100.00 18.28 9.24 99.22 18.81 10.27 99.61 2 0 46.44 -999 ? NA NA A 233 >PRO^A 49 18.89 14.90 97.95 17.40 13.45 98.76 18.14 14.18 98.35 3 0 43.68 -999 ? NA NA A 233 >VAL^A 50 13.17 13.12 98.06 11.71 11.97 99.17 12.44 12.55 98.62 3 0 41.09 -999 ? NA NA A 233 >TYR^A 51 12.17 16.58 93.10 11.31 18.68 91.48 11.74 17.63 92.29 3 0 41.32 -999 ? NA NA A 233 >VAL^A 52 8.29 16.75 95.35 7.07 16.49 97.12 7.68 16.62 96.24 3 0 37.30 -999 ? NA NA A 233 >GLY.A 53 7.39 18.50 92.10 7.55 17.68 91.94 7.47 18.09 92.02 1 0 38.81 -999 ? NA NA A 233 >GLU.A 54 6.87 18.48 85.94 6.46 19.95 84.49 6.67 19.22 85.21 2 0 43.42 -999 ? NA NA A 233 >ASN.A 55 11.02 14.90 87.87 13.10 14.48 87.92 12.06 14.69 87.90 2 0 46.62 -999 ? NA NA A 233 >PRO.A 56 11.22 19.14 84.17 11.37 16.92 84.13 11.29 18.03 84.15 3 0 46.64 -999 ? NA NA A 233 >GLY.A 57 14.76 15.07 83.89 14.71 15.80 84.39 14.74 15.44 84.14 1 0 49.94 -999 ? NA NA A 233 >LEU.A 58 15.85 16.61 88.28 14.64 18.38 88.60 15.25 17.49 88.44 3 0 45.88 -999 ? NA NA A 233 >VAL.A 59 20.25 15.78 87.47 21.64 15.32 85.86 20.94 15.55 86.67 3 0 51.31 -999 ? NA NA A 233 >PRO.A 60 21.98 15.71 91.88 21.32 15.32 89.80 21.65 15.52 90.84 3 0 49.24 -999 ? NA NA A 233 >ALA.A 61 18.37 12.25 89.89 18.36 10.88 89.22 18.36 11.57 89.56 2 0 50.64 -999 ? NA NA A 233 >PRO.A 62 14.75 13.29 92.06 16.78 12.51 92.57 15.77 12.90 92.31 3 0 46.18 -999 ? NA NA A 233 >ALA.A 63 16.11 9.37 95.43 16.30 9.33 96.92 16.21 9.35 96.18 2 0 46.24 -999 ? NA NA A 233 >LEU^A 64 11.65 9.08 96.20 9.76 8.03 96.33 10.71 8.55 96.27 3 0 44.12 -999 ? NA NA A 233 >THR^A 65 10.19 11.85 92.86 11.21 12.30 91.05 10.70 12.07 91.95 2 0 44.91 -999 ? NA NA A 233 >LEU^A 66 6.42 12.53 95.80 6.87 10.97 97.26 6.65 11.75 96.53 3 0 39.87 -999 ? NA NA A 233 >PRO.A 67 2.60 12.88 92.96 4.50 14.01 92.77 3.55 13.44 92.87 3 0 39.77 -999 ? NA NA A 233 >ASP.A 68 2.66 19.03 92.64 2.53 20.81 93.74 2.59 19.92 93.19 2 0 34.30 -999 ? NA NA A 233 >ARG.A 69 -0.61 14.39 97.93 -0.70 12.22 95.68 -0.65 13.31 96.80 2 0 37.48 -999 ? NA NA A 233 >GLY.A 70 -0.87 21.45 95.57 -0.56 21.18 96.15 -0.72 21.32 95.86 1 0 31.40 -999 ? NA NA A 233 >GLY~A 71 0.54 22.92 98.77 1.10 22.36 98.53 0.82 22.64 98.65 1 0 28.67 -999 ? NA NA A 233 >LEU~A 72 4.14 24.75 101.36 6.17 25.42 101.14 5.16 25.08 101.25 3 0 27.97 -999 ? NA NA A 233 >LEU~A 73 1.80 21.89 104.94 1.52 21.11 106.92 1.66 21.50 105.93 3 0 25.61 -999 ? NA NA A 233 >GLU~A 74 -1.52 20.37 101.27 -0.76 22.38 101.44 -1.14 21.37 101.35 2 0 26.67 -999 ? NA NA A 233 >ASN~A 75 4.39 18.94 98.82 3.34 19.44 97.03 3.86 19.19 97.92 2 0 33.09 -999 ? NA NA A 233 >LEU~A 76 5.68 18.87 104.05 7.21 18.89 105.58 6.44 18.88 104.81 3 0 30.46 -999 ? NA NA A 233 >GLU~A 77 1.39 16.50 105.65 -0.64 16.58 106.28 0.38 16.54 105.97 2 0 28.26 -999 ? NA NA A 233 >GLN~A 78 3.27 12.77 98.60 2.95 13.79 96.73 3.11 13.28 97.67 2 0 36.85 -999 ? NA NA A 233 >ALA~A 79 7.20 13.09 101.23 8.06 14.33 100.99 7.63 13.71 101.11 2 0 36.33 -999 ? NA NA A 233 >LEU~A 80 6.47 13.07 106.04 7.20 14.64 107.33 6.83 13.86 106.68 3 0 33.54 -999 ? NA NA A 233 >GLU~A 81 2.93 9.55 103.78 1.30 9.13 102.46 2.12 9.34 103.12 2 0 36.79 -999 ? NA NA A 233 >HIS~A 82 7.47 8.07 100.13 5.66 7.75 99.11 6.56 7.91 99.62 3 0 41.05 -999 ? NA NA A 233 >VAL.A 83 11.24 8.97 104.96 11.28 11.11 104.57 11.26 10.04 104.76 3 0 39.52 -999 ? NA NA A 233 >GLU.A 84 11.58 5.70 108.04 9.77 5.78 109.16 10.67 5.74 108.60 2 0 40.76 -999 ? NA NA A 233 >GLY.A 85 14.48 9.73 111.23 13.93 10.14 110.84 14.21 9.94 111.03 1 0 39.81 -999 ? NA NA A 233 >ARG^A 86 17.67 15.78 113.46 20.57 16.80 113.63 19.12 16.29 113.55 2 0 39.00 -999 ? NA NA A 233 >VAL^A 87 14.99 15.01 107.84 13.75 14.03 106.35 14.37 14.52 107.10 3 0 37.40 -999 ? NA NA A 233 >LEU^A 88 17.53 18.55 105.96 18.33 20.55 105.90 17.93 19.55 105.93 3 0 37.30 -999 ? NA NA A 233 >VAL^A 89 13.47 20.06 104.27 11.35 19.92 104.61 12.41 19.99 104.44 3 0 33.65 -999 ? NA NA A 233 >ALA^A 90 14.21 22.60 101.59 15.65 22.42 101.16 14.93 22.51 101.37 2 0 36.18 -999 ? NA NA A 233 >THR^A 91 12.48 24.53 98.85 12.07 26.47 99.65 12.27 25.50 99.25 2 0 32.68 -999 ? NA NA A 233 >GLY.A 92 13.82 24.19 95.31 13.60 24.89 95.56 13.71 24.54 95.44 1 0 37.48 -999 ? NA NA A 233 >ASP.A 93 13.31 28.80 94.67 12.65 29.46 96.54 12.98 29.13 95.60 2 0 34.01 -999 ? NA NA A 233 >ILE.A 94 17.69 28.26 98.30 17.13 27.88 99.54 17.41 28.07 98.92 3 0 36.44 -999 ? NA NA A 233 >PRO.A 95 19.52 29.73 93.13 19.74 27.97 94.46 19.63 28.85 93.79 3 0 40.91 -999 ? NA NA A 233 >HIS.A 96 22.92 31.69 95.61 22.41 33.15 94.19 22.67 32.42 94.90 3 0 41.79 -999 ? NA NA A 233 >LEU.A 97 21.54 25.51 98.83 20.94 24.39 100.60 21.24 24.95 99.72 3 0 40.08 -999 ? NA NA A 233 >THR~A 98 26.10 24.84 99.53 27.21 26.59 100.07 26.65 25.72 99.80 2 0 44.29 -999 ? NA NA A 233 >GLU~A 99 28.89 19.70 101.63 30.41 18.51 100.76 29.65 19.10 101.19 2 0 49.65 -999 ? NA NA A 233 >GLU~A 100 30.85 25.07 104.82 32.39 26.43 104.35 31.62 25.75 104.58 2 0 47.31 -999 ? NA NA A 233 >ALA~A 101 25.74 25.43 104.70 24.94 26.27 103.71 25.34 25.85 104.20 2 0 40.97 -999 ? NA NA A 233 >VAL~A 102 23.90 22.12 104.83 22.97 20.80 103.39 23.43 21.46 104.11 3 0 41.39 -999 ? NA NA A 233 >ARG~A 103 29.17 18.24 105.48 30.43 15.81 104.08 29.80 17.03 104.78 2 0 49.76 -999 ? NA NA A 233 >PHE~A 104 26.22 25.75 110.29 25.77 27.41 112.49 26.00 26.58 111.39 3 0 39.58 -999 ? NA NA A 233 >VAL~A 105 22.71 22.93 110.06 20.96 23.41 108.84 21.84 23.17 109.45 3 0 37.61 -999 ? NA NA A 233 >LEU~A 106 23.68 18.28 109.43 22.73 17.83 107.57 23.20 18.05 108.50 3 0 41.47 -999 ? NA NA A 233 >ASP~A 107 27.50 19.73 112.28 27.99 18.27 110.80 27.74 19.00 111.54 2 0 44.85 -999 ? NA NA A 233 >LYS~A 108 24.95 22.52 114.84 30.11 23.11 115.82 27.53 22.81 115.33 2 0 44.01 -999 ? NA NA A 233 >ALA~A 109 21.23 21.85 115.03 20.42 21.07 114.02 20.82 21.46 114.52 2 0 36.47 -999 ? NA NA A 233 >PRO.A 110 19.36 23.58 118.54 20.26 21.58 117.96 19.81 22.58 118.25 3 0 34.82 -999 ? NA NA A 233 >GLU.A 111 19.90 16.31 120.40 19.58 15.25 118.59 19.74 15.78 119.50 2 0 38.76 -999 ? NA NA A 233 >ALA.A 112 14.68 19.19 118.88 14.60 20.72 118.95 14.64 19.95 118.92 2 0 31.46 -999 ? NA NA A 233 >ALA.A 113 11.66 17.86 116.96 10.26 17.86 117.53 10.96 17.86 117.25 2 0 30.17 -999 ? NA NA A 233 >LEU^A 114 10.48 21.60 114.77 9.74 23.33 113.76 10.11 22.46 114.26 3 0 27.32 -999 ? NA NA A 233 >VAL^A 115 14.81 23.26 114.13 16.75 22.76 114.98 15.78 23.01 114.56 3 0 31.48 -999 ? NA NA A 233 >TYR^A 116 13.12 28.05 110.83 12.69 29.73 108.67 12.90 28.89 109.75 3 0 27.47 -999 ? NA NA A 233 >PRO^A 117 17.91 26.02 109.20 17.19 27.52 110.74 17.55 26.77 109.97 3 0 32.25 -999 ? NA NA A 233 >ILE^A 118 17.03 32.54 111.79 16.40 32.59 113.09 16.71 32.57 112.44 3 0 28.95 -999 ? NA NA A 233 >VAL^A 119 20.27 34.19 109.09 21.08 33.80 107.10 20.67 33.99 108.09 3 0 33.61 -999 ? NA NA A 233 >PRO^A 120 22.97 35.96 111.81 21.52 36.79 110.33 22.25 36.38 111.07 3 0 33.93 -999 ? NA NA A 233 >LYS~A 121 21.17 40.69 108.55 18.60 46.50 108.56 19.88 43.60 108.56 2 0 31.76 -999 ? NA NA A 233 >GLU~A 122 25.09 41.63 111.69 23.00 41.56 112.10 24.05 41.60 111.89 2 0 34.33 -999 ? NA NA A 233 >ALA~A 123 25.84 38.14 106.89 26.01 36.74 107.46 25.92 37.44 107.17 2 0 38.49 -999 ? NA NA A 233 >VAL~A 124 23.02 38.37 104.37 20.88 38.24 104.53 21.95 38.30 104.45 3 0 35.71 -999 ? NA NA A 233 >GLU~A 125 22.77 42.89 103.83 22.07 44.58 104.90 22.42 43.73 104.36 2 0 35.95 -999 ? NA NA A 233 >ALA~A 126 28.09 39.79 103.02 28.50 38.76 104.09 28.30 39.28 103.55 2 0 41.87 -999 ? NA NA A 233 >ARG~A 127 27.12 34.85 97.32 27.46 31.84 97.86 27.29 33.35 97.59 2 0 44.28 -999 ? NA NA A 233 >PHE~A 128 23.28 37.02 98.43 23.88 34.30 98.24 23.58 35.66 98.33 3 0 40.20 -999 ? NA NA A 233 >PRO.A 129 26.47 42.99 98.94 24.32 42.52 99.29 25.39 42.75 99.11 3 0 41.29 -999 ? NA NA A 233 >ARG.A 130 21.15 41.53 93.81 20.40 39.27 91.87 20.77 40.40 92.84 2 0 41.30 -999 ? NA NA A 233 >THR.A 131 18.95 41.16 98.29 19.17 39.03 98.44 19.06 40.10 98.36 2 0 36.26 -999 ? NA NA A 233 >LYS.A 132 15.93 42.63 100.04 14.54 46.88 95.57 15.23 44.76 97.81 2 0 35.22 -999 ? NA NA A 233 >ARG.A 133 15.76 37.73 101.86 14.53 34.95 102.17 15.14 36.34 102.02 2 0 30.68 -999 ? NA NA A 233 >THR.A 134 11.81 40.55 105.59 9.70 40.01 105.42 10.76 40.28 105.50 2 0 24.50 -999 ? NA NA A 233 >TYR.A 135 16.01 41.49 107.99 17.98 41.25 106.01 17.00 41.37 107.00 3 0 30.17 -999 ? NA NA A 233 >ALA^A 136 12.79 40.72 112.55 12.09 39.44 112.89 12.44 40.08 112.72 2 0 23.49 -999 ? NA NA A 233 >ARG^A 137 14.58 46.35 114.47 15.53 47.64 117.10 15.06 47.00 115.79 2 0 27.33 -999 ? NA NA A 233 >LEU^A 138 15.54 38.85 118.21 14.02 37.47 117.59 14.78 38.16 117.90 3 0 25.38 -999 ? NA NA A 233 >ARG.A 139 15.75 41.33 125.05 13.85 40.32 127.23 14.80 40.83 126.14 2 0 25.65 -999 ? NA NA A 233 >GLU.A 140 19.42 36.82 121.67 17.34 36.62 122.14 18.38 36.72 121.90 2 0 28.17 -999 ? NA NA A 233 >GLY^A 141 19.92 40.52 116.74 19.16 40.43 116.90 19.54 40.48 116.82 1 0 30.55 -999 ? NA NA A 233 >THR^A 142 18.24 40.95 113.37 17.91 42.89 112.56 18.07 41.92 112.97 2 0 29.38 -999 ? NA NA A 233 >PHE^A 143 18.28 36.71 113.34 19.98 36.82 115.54 19.13 36.76 114.44 3 0 30.18 -999 ? NA NA A 233 >THR^A 144 15.41 36.46 108.50 15.79 36.51 106.39 15.60 36.49 107.44 2 0 29.45 -999 ? NA NA A 233 >GLY^A 145 14.12 32.94 108.04 14.47 33.26 107.48 14.30 33.10 107.76 1 0 27.89 -999 ? NA NA A 233 >GLY.A 146 15.77 30.23 105.99 14.97 30.27 106.15 15.37 30.25 106.07 1 0 30.92 -999 ? NA NA A 233 >ASN.A 147 14.55 28.43 101.90 13.92 30.43 101.32 14.23 29.43 101.61 2 0 31.68 -999 ? NA NA A 233 >LEU^A 148 16.88 24.84 105.46 18.48 24.35 104.09 17.68 24.59 104.78 3 0 35.10 -999 ? NA NA A 233 >LEU^A 149 12.10 23.17 107.82 10.70 23.51 109.43 11.40 23.34 108.62 3 0 29.32 -999 ? NA NA A 233 >LEU^A 150 16.45 20.54 110.74 17.96 19.03 110.91 17.20 19.79 110.82 3 0 35.13 -999 ? NA NA A 233 >LEU^A 151 11.24 17.68 110.54 9.77 19.14 110.04 10.50 18.41 110.29 3 0 31.21 -999 ? NA NA A 233 >ASP^A 152 12.59 14.78 114.98 12.91 12.87 115.74 12.75 13.82 115.36 2 0 35.77 -999 ? NA NA A 233 >LYS~A 153 9.66 13.01 111.48 7.57 8.20 107.93 8.61 10.60 109.70 2 0 38.01 -999 ? NA NA A 233 >SER~A 154 8.75 10.86 114.49 11.06 10.45 115.08 9.90 10.66 114.78 2 0 36.55 -999 ? NA NA A 233 >LEU~A 155 9.76 14.60 117.44 11.11 14.25 119.07 10.43 14.42 118.26 3 0 32.82 -999 ? NA NA A 233 >PHE~A 156 6.90 17.76 112.73 5.80 20.17 111.86 6.35 18.97 112.29 3 0 27.59 -999 ? NA NA A 233 >ARG~A 157 3.68 9.54 113.93 3.65 8.58 111.00 3.67 9.06 112.46 2 0 35.14 -999 ? NA NA A 233 >LYS.A 158 2.11 14.48 116.36 6.00 14.79 121.02 4.05 14.64 118.69 2 0 29.91 -999 ? NA NA A 233 >ALA~A 159 2.17 18.24 115.67 3.42 19.05 115.90 2.79 18.65 115.78 2 0 25.11 -999 ? NA NA A 233 >LEU~A 160 1.04 16.80 111.22 2.75 16.15 110.06 1.90 16.47 110.64 3 0 27.68 -999 ? NA NA A 233 >PRO~A 161 -2.69 16.65 114.00 -1.96 18.47 113.00 -2.33 17.56 113.50 3 0 24.27 -999 ? NA NA A 233 >LEU~A 162 -0.73 22.28 115.72 -1.30 21.46 117.63 -1.01 21.87 116.67 3 0 20.33 -999 ? NA NA A 233 >ALA~A 163 1.01 22.58 111.68 1.93 21.48 111.17 1.47 22.03 111.43 2 0 23.47 -999 ? NA NA A 233 >ARG~A 164 -3.32 18.80 108.58 -3.00 16.02 109.81 -3.16 17.41 109.20 2 0 26.54 -999 ? NA NA A 233 >ARG~A 165 -5.66 25.51 114.64 -6.62 27.41 116.83 -6.14 26.46 115.74 2 0 13.08 -999 ? NA NA A 233 >VAL~A 166 -1.05 27.39 111.67 0.57 27.68 113.10 -0.24 27.54 112.38 3 0 17.31 -999 ? NA NA A 233 >VAL~A 167 -0.12 27.00 108.00 1.06 25.61 106.79 0.47 26.30 107.40 3 0 20.97 -999 ? NA NA A 233 >ALA~A 168 -3.70 27.72 106.99 -4.92 26.94 107.46 -4.31 27.33 107.23 2 0 18.23 -999 ? NA NA A 233 >LEU~A 169 -3.47 31.39 109.98 -5.23 30.99 111.14 -4.35 31.19 110.56 3 0 13.61 -999 ? NA NA A 233 >ARG.A 170 0.69 29.63 103.51 3.49 29.40 102.24 2.09 29.52 102.87 2 0 24.31 -999 ? NA NA A 233 >LYS.A 171 -2.28 34.46 104.46 -7.46 31.47 102.64 -4.87 32.96 103.55 2 0 18.77 -999 ? NA NA A 233 >ARG~A 172 -7.43 33.79 107.33 -9.49 33.71 109.57 -8.46 33.75 108.45 2 0 -11.41 -999 ? NA NA A 233s >PRO~A 173 -1.41 39.24 107.55 -2.38 37.90 109.01 -1.89 38.57 108.28 3 0 13.99 -999 ? NA NA A 233 >LEU~A 174 -6.00 39.93 111.75 -6.14 42.07 111.97 -6.07 41.00 111.86 3 0 8.73 -999 ? NA NA A 233 >ALA~A 175 -5.84 35.62 112.29 -6.35 34.79 111.14 -6.10 35.21 111.71 2 0 -10.35 -999 ? NA NA A 233s >LEU~A 176 -1.23 34.61 111.60 0.11 32.98 111.22 -0.56 33.79 111.41 3 0 13.97 -999 ? NA NA A 233 >ALA~A 177 -1.50 37.04 115.36 -1.53 38.54 115.16 -1.51 37.79 115.26 2 0 9.94 -999 ? NA NA A 233 >ARG~A 178 -8.08 35.43 116.27 -9.71 37.59 117.72 -8.89 36.51 117.00 2 0 -2.70 -999 ? NA NA A 233s >LEU~A 179 -2.10 31.36 116.58 -3.31 29.61 116.31 -2.71 30.49 116.44 3 0 12.37 -999 ? NA NA A 233 >VAL~A 180 0.83 34.01 118.53 2.42 34.88 117.33 1.63 34.44 117.93 3 0 13.28 -999 ? NA NA A 233 >GLY~A 181 -0.87 36.48 120.88 -0.47 36.80 120.19 -0.67 36.64 120.53 1 0 10.29 -999 ? NA NA A 233 >TRP~A 182 -1.46 43.47 122.25 -1.40 44.86 118.56 -1.43 44.17 120.41 3 0 10.21 -999 ? NA NA A 233 >ASP~A 183 1.69 40.13 124.81 1.85 38.05 124.53 1.77 39.09 124.67 2 0 13.54 -999 ? NA NA A 233 >VAL~A 184 4.23 38.88 121.59 4.70 36.75 121.47 4.47 37.82 121.53 3 0 15.27 -999 ? NA NA A 233 >LEU~A 185 1.90 40.83 117.79 1.39 41.46 115.78 1.65 41.14 116.79 3 0 12.50 -999 ? NA NA A 233 >LEU~A 186 3.45 44.78 120.70 1.95 46.27 120.31 2.70 45.52 120.51 3 0 14.51 -999 ? NA NA A 233 >LYS~A 187 7.22 42.78 121.55 6.92 39.30 126.79 7.07 41.04 124.17 2 0 19.00 -999 ? NA NA A 233 >LEU~A 188 9.01 40.27 117.79 7.70 39.52 116.24 8.36 39.89 117.01 3 0 19.01 -999 ? NA NA A 233 >LEU~A 189 5.98 44.59 116.15 4.61 43.77 114.68 5.29 44.18 115.42 3 0 16.88 -999 ? NA NA A 233 >LEU~A 190 8.92 46.96 119.84 7.06 48.04 120.03 7.99 47.50 119.93 3 0 20.11 -999 ? NA NA A 233 >GLY.A 191 12.56 44.28 118.82 11.94 44.38 119.46 12.25 44.33 119.14 1 0 23.54 -999 ? NA NA A 233 >ARG.A 192 10.77 45.60 125.16 8.83 44.61 127.40 9.80 45.11 126.28 2 0 21.57 -999 ? NA NA A 233 >LEU.A 193 10.28 39.83 121.08 9.14 37.98 121.20 9.71 38.90 121.14 3 0 20.33 -999 ? NA NA A 233 >SER~A 194 13.94 37.68 122.43 14.01 36.35 124.44 13.98 37.01 123.43 2 0 25.29 -999 ? NA NA A 233 >LEU~A 195 16.34 34.14 120.27 16.86 33.19 118.41 16.60 33.67 119.34 3 0 27.77 -999 ? NA NA A 233 >ALA~A 196 14.11 32.08 123.57 14.82 31.99 124.90 14.46 32.04 124.23 2 0 27.07 -999 ? NA NA A 233 >GLU~A 197 11.08 35.94 125.37 10.63 38.00 125.52 10.86 36.97 125.45 2 0 22.12 -999 ? NA NA A 233 >VAL~A 198 10.06 33.12 120.33 10.79 34.07 118.53 10.42 33.60 119.43 3 0 21.80 -999 ? NA NA A 233 >GLU~A 199 13.58 29.22 120.04 15.50 28.76 120.77 14.54 28.99 120.40 2 0 28.25 -999 ? NA NA A 233 >ALA~A 200 9.24 28.95 124.00 9.53 29.68 125.29 9.39 29.32 124.64 2 0 23.20 -999 ? NA NA A 233 >ARG~A 201 3.19 31.48 122.49 0.16 31.08 122.80 1.68 31.28 122.64 2 0 14.15 -999 ? NA NA A 233 >ALA~A 202 6.45 28.25 119.34 7.75 28.21 118.54 7.10 28.23 118.94 2 0 21.58 -999 ? NA NA A 233 >GLN~A 203 7.69 23.74 123.34 9.38 23.36 124.56 8.53 23.55 123.95 2 0 26.26 -999 ? NA NA A 233 >ARG~A 204 2.18 27.72 126.15 3.65 25.95 128.16 2.91 26.83 127.16 2 0 21.64 -999 ? NA NA A 233 >ILE~A 205 2.00 27.26 119.25 1.64 28.38 118.45 1.82 27.82 118.85 3 0 17.11 -999 ? NA NA A 233 >LEU~A 206 4.27 23.08 117.83 4.35 24.19 116.00 4.31 23.63 116.91 3 0 21.96 -999 ? NA NA A 233 >GLY~A 207 3.46 20.96 121.75 4.08 21.15 121.24 3.77 21.06 121.49 1 0 23.48 -999 ? NA NA A 233 >VAL.A 208 6.82 19.85 120.36 6.30 19.28 118.35 6.56 19.57 119.35 3 0 26.37 -999 ? NA NA A 233 >GLU.A 209 12.57 21.63 122.03 14.14 20.75 123.10 13.35 21.19 122.56 2 0 31.32 -999 ? NA NA A 233 >ALA^A 210 11.01 24.00 118.41 9.77 24.72 117.91 10.39 24.36 118.16 2 0 25.23 -999 ? NA NA A 233 >ARG^A 211 16.18 24.45 121.14 18.89 25.18 122.33 17.53 24.81 121.73 2 0 32.93 -999 ? NA NA A 233 >ALA^A 212 16.02 28.21 115.70 15.74 29.70 115.71 15.88 28.96 115.70 2 0 28.31 -999 ? NA NA A 233 >LEU^A 213 19.93 26.54 113.69 21.84 25.49 113.63 20.89 26.01 113.66 3 0 34.69 -999 ? NA NA A 233 >VAL^A 214 21.52 30.98 113.78 22.14 32.66 114.96 21.83 31.82 114.37 3 0 33.64 -999 ? NA NA A 233 >THR.A 215 23.08 29.92 110.48 22.29 28.20 109.48 22.68 29.06 109.98 2 0 36.10 -999 ? NA NA A 233 >PRO.A 216 27.07 30.91 110.92 25.53 31.62 109.50 26.30 31.27 110.21 3 0 38.83 -999 ? NA NA A 233 >TYR~A 217 26.82 28.81 105.89 29.06 27.62 107.06 27.94 28.22 106.48 3 0 42.11 -999 ? NA NA A 233 >PRO~A 218 24.79 34.45 103.36 23.48 32.89 104.21 24.14 33.67 103.79 3 0 38.42 -999 ? NA NA A 233 >GLU~A 219 24.43 29.08 101.27 26.09 30.05 102.16 25.26 29.56 101.72 2 0 41.53 -999 ? NA NA A 233 >VAL~A 220 20.20 29.05 103.31 19.93 28.72 105.43 20.07 28.88 104.37 3 0 35.68 -999 ? NA NA A 233 >GLY~A 221 17.60 31.73 102.68 18.14 31.82 102.15 17.87 31.78 102.41 1 0 33.58 -999 ? NA NA A 233 >VAL.A 222 18.43 33.88 99.65 19.98 35.35 99.30 19.21 34.62 99.48 3 0 36.05 -999 ? NA NA A 233 >ASP.A 223 14.62 32.08 97.43 13.40 33.74 97.89 14.01 32.91 97.66 2 0 32.61 -999 ? NA NA A 233 >VAL.A 224 15.35 33.57 93.48 16.60 33.00 91.80 15.98 33.28 92.64 3 0 38.09 -999 ? NA NA A 233 >ASP.A 225 11.56 36.28 93.85 11.41 35.30 95.71 11.48 35.79 94.78 2 0 32.46 -999 ? NA NA A 233 >ARG~A 226 10.17 40.00 90.68 10.98 42.93 90.11 10.58 41.46 90.40 2 0 36.36 -999 ? NA NA A 233 >GLU~A 227 13.84 37.69 84.13 11.80 37.31 84.41 12.82 37.50 84.27 2 0 41.44 -999 ? NA NA A 233 >GLU~A 228 16.81 42.69 88.24 18.26 44.19 88.65 17.53 43.44 88.45 2 0 42.24 -999 ? NA NA A 233 >ASP~A 229 16.90 36.51 91.25 15.85 37.67 92.66 16.37 37.09 91.95 2 0 37.49 -999 ? NA NA A 233 >LEU~A 230 18.15 34.45 86.63 16.43 33.14 86.45 17.29 33.80 86.54 3 0 43.33 -999 ? NA NA A 233 >VAL~A 231 21.85 37.15 86.87 21.71 38.54 85.20 21.78 37.84 86.04 3 0 46.36 -999 ? NA NA A 233