REMARK SOURCE hebe.pdb HEADER DNA BINDING PROTEIN 07-MAR-07 2P2U COMPND HOST-NUCLEASE INHIBITOR PROTEIN GAM, PUTATIVE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; SOURCE 3 ORGANISM_TAXID: 881; SOURCE 4 STRAIN: HILDENBOROUGH, NCIMB 8303; SOURCE 5 ATCC: 29579; SOURCE 6 GENE: DVU_1136; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: PET; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,F.ZHANG,R.ROMERO,D.SMITH,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 38 8 HET MSE A 78 8 HET MSE A 103 8 HET MSE A 110 8 HET MSE A 135 8 HET MSE A 145 8 HET MSE B 38 8 HET MSE B 78 8 HET MSE B 103 8 HET MSE B 110 8 HET MSE B 135 8 HET MSE B 145 8 >VAL.A 9 1.02 11.24 -14.70 3.02 12.20 -14.81 2.02 11.72 -14.75 3 0 1000.00 -999 ? >ILE.A 10 2.00 6.76 -13.44 1.07 5.76 -13.31 1.54 6.26 -13.38 3 0 1000.00 -999 ? >VAL.A 11 6.41 8.24 -12.41 7.43 10.14 -12.11 6.92 9.19 -12.26 3 0 1000.00 -999 ? >ALA.A 12 7.28 4.47 -12.22 6.65 3.36 -13.14 6.97 3.91 -12.68 2 0 1000.00 -999 ? >ASP~A 13 11.64 3.61 -12.98 12.45 4.31 -14.84 12.04 3.96 -13.91 2 0 1000.00 -999 ? >ILE~A 14 15.50 6.67 -10.84 15.83 6.61 -9.94 15.67 6.64 -10.39 3 0 1000.00 -999 ? >ARG~A 15 16.85 7.41 -18.00 17.43 6.38 -20.87 17.15 6.90 -19.43 2 0 1000.00 -999 ? >GLN~A 16 9.27 7.46 -16.57 7.94 5.85 -16.34 8.61 6.65 -16.45 2 0 1000.00 -999 ? >ALA~A 17 11.55 11.31 -12.58 12.10 10.98 -11.19 11.82 11.14 -11.89 2 0 1000.00 -999 ? >GLU~A 18 16.98 12.12 -14.82 18.02 11.31 -16.52 17.50 11.71 -15.67 2 0 1000.00 -999 ? >GLY~A 19 11.99 13.20 -17.26 12.04 13.58 -16.49 12.02 13.39 -16.88 1 0 1000.00 -999 ? >ALA~A 20 9.39 15.18 -15.27 8.73 14.53 -14.06 9.06 14.85 -14.67 2 0 1000.00 -999 ? >LEU~A 21 13.19 17.12 -12.62 12.89 16.90 -10.53 13.04 17.01 -11.58 3 0 1000.00 -999 ? >ALA~A 22 13.31 18.44 -17.14 13.85 17.54 -18.16 13.58 17.99 -17.65 2 0 1000.00 -999 ? >GLU~A 23 7.31 18.93 -18.75 6.08 17.34 -19.42 6.69 18.14 -19.08 2 0 1000.00 -999 ? >ILE~A 24 9.16 20.50 -13.45 8.85 20.05 -12.27 9.01 20.28 -12.86 3 0 1000.00 -999 ? >ALA~A 25 12.25 23.08 -15.33 13.67 22.59 -15.13 12.96 22.83 -15.23 2 0 1000.00 -999 ? >THR~A 26 11.04 23.92 -18.86 11.06 22.95 -20.81 11.05 23.44 -19.84 2 0 1000.00 -999 ? >ILE~A 27 6.70 24.50 -16.69 5.54 24.23 -17.57 6.12 24.36 -17.13 3 0 1000.00 -999 ? >ASP~A 28 10.58 26.82 -13.86 9.78 26.15 -12.01 10.18 26.49 -12.94 2 0 1000.00 -999 ? >ARG~A 29 15.05 27.64 -19.23 15.27 24.64 -18.78 15.16 26.14 -19.01 2 0 1000.00 -999 ? >LYS~A 30 8.58 29.40 -19.89 7.33 25.34 -23.39 7.95 27.37 -21.64 2 0 1000.00 -999 ? >VAL~A 31 6.15 30.79 -17.22 5.01 30.17 -15.46 5.58 30.48 -16.34 3 0 1000.00 -999 ? >GLY~A 32 8.90 32.99 -15.65 8.69 32.91 -16.41 8.80 32.95 -16.03 1 0 1000.00 -999 ? >GLU~A 33 9.64 33.87 -21.58 10.54 32.38 -22.80 10.09 33.13 -22.19 2 0 1000.00 -999 ? >ILE~A 34 4.45 33.85 -19.39 3.15 33.20 -19.43 3.80 33.52 -19.41 3 0 1000.00 -999 ? >GLU~A 35 4.61 35.94 -14.55 4.72 34.32 -13.18 4.66 35.13 -13.86 2 0 1000.00 -999 ? >ALA~A 36 8.63 39.08 -18.09 9.94 38.51 -18.67 9.29 38.80 -18.38 2 0 1000.00 -999 ? >GLN~A 37 7.01 38.50 -22.89 6.22 37.56 -24.60 6.62 38.03 -23.75 2 0 1000.00 -999 ? >MET?A 38 3.60 41.10 -18.83 1.39 39.63 -15.48 2.49 40.37 -17.16 2 0 1000.00 -999 ? >ASN~A 39 6.89 42.81 -15.73 5.96 42.00 -14.01 6.42 42.41 -14.87 2 0 1000.00 -999 ? >GLU~A 40 8.07 44.81 -22.48 9.51 43.81 -23.70 8.79 44.31 -23.09 2 0 1000.00 -999 ? >ALA~A 41 3.49 45.51 -21.18 2.48 44.41 -21.47 2.98 44.96 -21.33 2 0 1000.00 -999 ? >ILE~A 42 2.53 46.10 -16.53 1.99 45.54 -15.41 2.26 45.82 -15.97 3 0 1000.00 -999 ? >ASP~A 43 7.30 48.21 -17.77 8.30 48.06 -15.92 7.80 48.13 -16.84 2 0 1000.00 -999 ? >ALA~A 44 5.13 50.41 -20.92 5.07 49.66 -22.24 5.10 50.03 -21.58 2 0 1000.00 -999 ? >ALA~A 45 1.58 51.33 -20.03 0.44 50.39 -19.68 1.01 50.86 -19.85 2 0 1000.00 -999 ? >LYS~A 46 2.60 53.03 -16.76 2.61 49.69 -11.25 2.61 51.36 -14.01 2 0 1000.00 -999 ? >ALA~A 47 5.13 54.96 -18.82 6.35 54.27 -19.42 5.74 54.62 -19.12 2 0 1000.00 -999 ? >ARG~A 48 1.10 54.19 -24.64 -1.62 52.65 -24.14 -0.26 53.42 -24.39 2 0 1000.00 -999 ? >ALA~A 49 0.12 57.15 -18.93 -0.38 56.28 -17.81 -0.13 56.72 -18.37 2 0 1000.00 -999 ? >SER~A 50 2.60 59.19 -16.91 4.60 59.47 -15.58 3.60 59.33 -16.25 2 0 1000.00 -999 ? >GLN~A 51 5.24 60.71 -22.58 4.74 60.07 -24.64 4.99 60.39 -23.61 2 0 1000.00 -999 ? >LYS~A 52 0.96 62.13 -21.47 1.04 61.67 -27.03 1.00 61.90 -24.25 2 0 1000.00 -999 ? >SER~A 53 -0.35 63.33 -18.07 -0.57 61.80 -16.20 -0.46 62.57 -17.14 2 0 1000.00 -999 ? >ALA~A 54 2.72 64.95 -16.57 4.22 64.52 -16.70 3.47 64.73 -16.64 2 0 1000.00 -999 ? >PRO~A 55 3.21 66.88 -20.42 2.34 67.49 -18.42 2.77 67.18 -19.42 3 0 1000.00 -999 ? >LEU~A 56 -2.59 66.99 -18.41 -3.13 66.36 -20.45 -2.86 66.68 -19.43 3 0 1000.00 -999 ? >LEU~A 57 -0.68 66.62 -13.40 -1.87 64.86 -12.72 -1.27 65.74 -13.06 3 0 1000.00 -999 ? >ALA~A 58 1.69 70.54 -14.48 2.88 70.58 -15.43 2.28 70.57 -14.95 2 0 1000.00 -999 ? >ARG~A 59 -2.08 74.75 -19.00 -2.42 77.79 -18.48 -2.25 76.27 -18.74 2 0 1000.00 -999 ? >ARG~A 60 -5.66 69.15 -12.04 -7.67 69.67 -9.73 -6.66 69.41 -10.88 2 0 1000.00 -999 ? >LYS~A 61 -1.15 73.16 -10.92 0.52 73.05 -5.42 -0.31 73.10 -8.17 2 0 1000.00 -999 ? >GLU~A 62 1.49 76.40 -14.18 2.08 76.54 -16.31 1.79 76.47 -15.25 2 0 1000.00 -999 ? >LEU~A 63 -5.24 76.18 -13.54 -5.44 76.11 -15.67 -5.34 76.15 -14.61 3 0 1000.00 -999 ? >GLU~A 64 -5.18 73.89 -7.39 -4.80 71.90 -6.79 -4.99 72.90 -7.09 2 0 1000.00 -999 ? >ASP~A 65 -1.02 77.89 -8.08 0.08 76.46 -6.90 -0.47 77.17 -7.49 2 0 1000.00 -999 ? >GLY~A 66 -3.57 80.84 -9.96 -3.83 80.56 -9.29 -3.70 80.70 -9.63 1 0 1000.00 -999 ? >VAL~A 67 -7.17 80.75 -8.74 -9.02 79.67 -9.32 -8.09 80.21 -9.03 3 0 1000.00 -999 ? >ALA~A 68 -5.69 80.42 -5.25 -4.68 79.32 -4.82 -5.19 79.87 -5.04 2 0 1000.00 -999 ? >THR~A 69 -3.68 83.59 -4.85 -1.70 83.56 -5.80 -2.69 83.57 -5.32 2 0 1000.00 -999 ? >PHE~A 70 -8.64 85.49 -8.20 -11.23 86.40 -8.57 -9.93 85.94 -8.39 3 0 1000.00 -999 ? >ALA~A 71 -9.11 83.97 -4.09 -9.66 82.57 -3.99 -9.39 83.27 -4.04 2 0 1000.00 -999 ? >THR~A 72 -6.86 84.91 -1.13 -4.92 83.80 -0.80 -5.89 84.36 -0.96 2 0 1000.00 -999 ? >LEU~A 73 -4.87 88.71 -3.60 -2.66 89.26 -3.85 -3.77 88.99 -3.72 3 0 1000.00 -999 ? >ASN~A 74 -9.97 88.82 -4.30 -9.37 90.30 -5.73 -9.67 89.56 -5.01 2 0 1000.00 -999 ? >LYS~A 75 -10.68 87.17 0.14 -9.36 83.22 4.98 -10.02 85.19 2.56 2 0 1000.00 -999 ? >THR~A 76 -12.51 89.48 2.58 -10.98 90.95 3.24 -11.74 90.21 2.91 2 0 1000.00 -999 ? >GLU~A 77 -13.38 91.79 -1.39 -13.26 91.77 -3.56 -13.32 91.78 -2.48 2 0 1000.00 -999 ? >MET?A 78 -15.54 87.88 -2.01 -12.98 86.14 -4.99 -14.26 87.01 -3.50 2 0 1000.00 -999 ? >PHE~A 79 -14.97 83.47 -0.39 -13.62 82.46 -2.59 -14.30 82.97 -1.49 3 0 1000.00 -999 ? >LYS.A 83 -18.44 80.99 2.22 -23.59 77.99 4.45 -21.02 79.49 3.33 2 0 1000.00 -999 ? >SER.A 84 -18.37 79.34 -1.28 -20.26 77.85 -0.98 -19.32 78.59 -1.13 2 0 1000.00 -999 ? >LEU.A 85 -17.59 82.26 -5.00 -17.27 83.66 -6.59 -17.43 82.96 -5.79 3 0 1000.00 -999 ? >ASP.A 86 -21.77 78.76 -7.53 -22.18 77.23 -8.85 -21.98 78.00 -8.19 2 0 1000.00 -999 ? >LEU.A 87 -16.96 79.24 -10.76 -15.83 81.00 -9.99 -16.40 80.12 -10.37 3 0 1000.00 -999 ? >GLY.A 88 -20.86 76.86 -12.77 -20.18 76.64 -12.41 -20.52 76.75 -12.59 1 0 1000.00 -999 ? >PHE.A 89 -17.10 75.07 -15.78 -17.64 75.35 -18.51 -17.37 75.21 -17.15 3 0 1000.00 -999 ? >GLY.A 90 -17.58 74.06 -9.88 -17.53 74.89 -10.05 -17.56 74.47 -9.97 1 0 1000.00 -999 ? >THR.A 91 -17.19 75.78 -6.55 -18.62 75.74 -5.01 -17.90 75.76 -5.78 2 0 1000.00 -999 ? >ILE.A 92 -13.36 78.55 -5.70 -13.00 79.54 -6.50 -13.18 79.05 -6.10 3 0 1000.00 -999 ? >GLY.A 93 -13.73 78.90 -1.49 -13.16 78.45 -1.66 -13.44 78.68 -1.58 1 0 1000.00 -999 ? >PHE.A 94 -11.01 80.36 1.98 -9.03 81.87 0.65 -10.02 81.12 1.31 3 0 1000.00 -999 ? >ARG.A 95 -14.88 71.91 3.90 -13.89 70.72 1.22 -14.38 71.31 2.56 2 0 1000.00 -999 ? >LEU.A 96 -12.92 75.42 9.30 -12.15 77.32 10.14 -12.54 76.37 9.72 3 0 1000.00 -999 ? >SER.A 97 -10.40 71.52 8.81 -8.41 71.43 7.34 -9.40 71.48 8.08 2 0 1000.00 -999 ? >THR.A 98 -9.33 70.75 12.35 -10.20 70.92 14.31 -9.77 70.83 13.33 2 0 1000.00 -999 ? >GLN.A 99 -5.19 66.64 11.24 -3.14 66.34 10.65 -4.17 66.49 10.94 2 0 1000.00 -999 ? >ILE.A 100 -5.70 66.03 17.13 -6.20 65.85 18.49 -5.95 65.94 17.81 3 0 1000.00 -999 ? >VAL.A 101 -1.19 66.86 16.05 -0.56 67.62 14.13 -0.87 67.24 15.09 3 0 1000.00 -999 ? >GLN.A 102 3.04 64.07 17.88 2.03 63.33 19.60 2.54 63.70 18.74 2 0 1000.00 -999 ? >MET?A 103 3.24 69.43 20.08 1.39 70.86 23.57 2.32 70.15 21.82 2 0 1000.00 -999 ? >SER.A 104 6.59 70.77 19.01 6.82 72.94 20.18 6.71 71.86 19.59 2 0 1000.00 -999 ? >LYS.A 105 9.19 68.67 20.74 11.42 73.33 23.92 10.30 71.00 22.33 2 0 1000.00 -999 ? >ILE.A 106 5.70 66.13 22.37 5.73 66.21 23.84 5.71 66.17 23.11 3 0 1000.00 -999 ? >THR~A 107 7.02 62.40 19.90 8.76 61.35 20.47 7.89 61.88 20.19 2 0 1000.00 -999 ? >LYS~A 108 3.95 60.22 19.65 0.04 57.02 15.83 1.99 58.62 17.74 2 0 1000.00 -999 ? >ASP~A 109 6.93 57.02 21.85 7.01 55.29 20.63 6.97 56.15 21.24 2 0 1000.00 -999 ? >MET?A 110 5.93 60.42 24.67 9.27 62.96 23.73 7.60 61.69 24.20 2 0 1000.00 -999 ? >THR~A 111 2.22 61.16 24.34 1.03 62.24 22.99 1.62 61.70 23.66 2 0 1000.00 -999 ? >LEU~A 112 2.07 56.26 24.14 0.91 55.62 22.40 1.49 55.94 23.27 3 0 1000.00 -999 ? >GLU~A 113 5.73 56.96 29.48 4.80 55.27 30.48 5.26 56.12 29.98 2 0 1000.00 -999 ? >ARG~A 114 2.72 63.74 28.33 4.47 66.46 27.75 3.59 65.10 28.04 2 0 1000.00 -999 ? >LEU~A 115 -2.12 58.40 27.16 -3.23 59.76 25.83 -2.67 59.08 26.49 3 0 1000.00 -999 ? >ARG~A 116 1.96 52.78 29.77 3.00 53.18 26.85 2.48 52.98 28.31 2 0 1000.00 -999 ? >GLN~A 117 3.31 59.06 34.33 4.86 57.56 33.94 4.08 58.31 34.13 2 0 1000.00 -999 ? >PHE~A 118 -1.94 61.84 32.83 -0.32 64.10 32.77 -1.13 62.97 32.80 3 0 1000.00 -999 ? >GLY.A 119 -4.23 56.19 33.42 -4.27 56.78 32.88 -4.25 56.48 33.15 1 0 1000.00 -999 ? >ILE.A 120 -5.88 58.53 29.47 -7.07 59.26 29.81 -6.47 58.89 29.64 3 0 1000.00 -999 ? >SER.A 121 -6.53 53.86 28.53 -8.13 52.47 29.47 -7.33 53.16 29.00 2 0 1000.00 -999 ? >GLU.A 122 -10.29 57.14 27.58 -10.41 56.17 29.51 -10.35 56.66 28.55 2 0 1000.00 -999 ? >GLY.A 123 -6.42 57.27 24.59 -6.41 56.49 24.64 -6.41 56.88 24.62 1 0 1000.00 -999 ? >ILE.A 124 -3.49 53.67 24.71 -2.29 53.73 25.43 -2.89 53.70 25.07 3 0 1000.00 -999 ? >ARG.A 125 -6.41 53.60 17.82 -9.53 53.57 17.74 -7.97 53.59 17.78 2 0 1000.00 -999 ? >ILE.A 126 -3.11 47.63 22.74 -2.74 47.51 24.20 -2.93 47.57 23.47 3 0 1000.00 -999 ? >LYS.A 127 -2.27 45.40 18.97 -1.27 44.70 13.51 -1.77 45.05 16.24 2 0 1000.00 -999 ? >GLU.A 128 -0.76 43.17 23.18 -1.65 43.00 25.13 -1.20 43.09 24.16 2 0 1000.00 -999 ? >ASP.A 129 1.58 40.02 17.88 0.69 39.18 16.30 1.13 39.60 17.09 2 0 1000.00 -999 ? >VAL.A 130 2.68 36.33 20.01 1.83 34.41 20.49 2.26 35.37 20.25 3 0 1000.00 -999 ? >ASN~A 131 7.21 36.92 20.75 9.20 37.45 20.26 8.20 37.19 20.50 2 0 1000.00 -999 ? >LYS~A 132 7.05 33.11 17.76 6.82 33.29 12.06 6.93 33.20 14.91 2 0 1000.00 -999 ? >GLU~A 133 11.09 34.63 16.05 11.77 36.29 15.04 11.43 35.46 15.55 2 0 1000.00 -999 ? >ALA~A 134 11.10 33.44 21.98 10.58 34.36 23.00 10.84 33.90 22.49 2 0 1000.00 -999 ? >MET?A 135 8.78 30.47 21.51 6.12 31.33 23.17 7.45 30.90 22.34 2 0 1000.00 -999 ? >GLN~A 136 11.23 28.85 16.83 12.22 29.93 15.26 11.72 29.39 16.04 2 0 1000.00 -999 ? >GLY.A 137 13.69 27.91 22.27 12.91 27.93 22.41 13.30 27.92 22.34 1 0 1000.00 -999 ? >TRP.A 138 10.52 29.31 25.58 6.95 30.51 26.76 8.73 29.91 26.17 3 0 1000.00 -999 ? >PRO~A 139 10.87 23.65 27.76 10.69 23.56 25.51 10.78 23.60 26.63 3 0 1000.00 -999 ? >ASP~A 140 7.14 19.73 24.00 7.64 19.54 22.04 7.39 19.63 23.02 2 0 1000.00 -999 ? >GLU~A 141 7.09 19.69 29.03 9.11 20.16 28.60 8.10 19.93 28.81 2 0 1000.00 -999 ? >ARG~A 142 9.25 26.66 29.97 9.58 29.75 29.95 9.42 28.20 29.96 2 0 1000.00 -999 ? >LEU~A 143 4.99 24.94 23.63 6.51 25.75 22.40 5.75 25.35 23.01 3 0 1000.00 -999 ? >GLU~A 144 0.42 21.07 27.00 0.07 21.45 29.20 0.25 21.26 28.10 2 0 1000.00 -999 ? >MET?A 145 0.89 25.53 29.02 2.83 24.91 32.75 1.86 25.22 30.89 2 0 1000.00 -999 ? >VAL~A 146 0.51 28.60 26.88 2.39 29.44 26.63 1.45 29.02 26.75 3 0 1000.00 -999 ? >GLY.A 147 -1.61 26.62 24.41 -0.86 26.76 24.26 -1.23 26.69 24.34 1 0 1000.00 -999 ? >LEU.A 148 2.13 27.16 21.72 1.84 29.21 21.07 1.98 28.18 21.40 3 0 1000.00 -999 ? >LYS.A 149 2.52 23.00 19.99 -2.30 19.54 17.52 0.11 21.27 18.76 2 0 1000.00 -999 ? >ARG.A 150 8.95 22.80 18.29 10.26 23.61 20.93 9.61 23.20 19.61 2 0 1000.00 -999 ? >ARG.A 151 2.13 21.00 11.44 1.97 23.72 9.90 2.05 22.36 10.67 2 0 1000.00 -999 ? >THR.A 152 6.94 18.80 12.96 8.78 17.86 13.70 7.86 18.33 13.33 2 0 1000.00 -999 ? >THR.A 153 6.51 18.03 9.18 5.28 18.91 7.56 5.89 18.47 8.37 2 0 1000.00 -999 ? >ASP.A 154 9.02 14.28 6.97 11.14 13.98 6.75 10.08 14.13 6.86 2 0 1000.00 -999 ? >ALA.A 155 7.81 17.42 3.46 7.39 18.90 3.46 7.60 18.16 3.46 2 0 1000.00 -999 ? >PHE.A 156 8.29 15.37 -2.51 9.46 14.57 -4.94 8.88 14.97 -3.72 3 0 1000.00 -999 ? >TYR.A 157 13.03 19.28 -1.08 15.68 18.43 -0.74 14.35 18.86 -0.91 3 0 1000.00 -999 ? >ILE.A 158 10.60 19.14 -6.97 9.91 18.74 -8.02 10.25 18.94 -7.50 3 0 1000.00 -999 ? >GLU.A 159 15.81 23.03 -4.63 17.33 22.58 -3.25 16.57 22.81 -3.94 2 0 1000.00 -999 ? >ILE.A 160 14.22 23.53 -10.57 13.38 23.56 -11.70 13.80 23.55 -11.13 3 0 1000.00 -999 ? >ASN.A 161 19.75 23.62 -11.15 20.30 21.68 -10.42 20.02 22.65 -10.79 2 0 1000.00 -999 ? >VAL.B 9 72.84 32.53 36.70 70.97 31.45 37.27 71.91 31.99 36.98 3 0 1000.00 -999 ? >ILE.B 10 74.04 36.93 37.54 75.26 36.93 38.35 74.65 36.93 37.94 3 0 1000.00 -999 ? >VAL.B 11 70.02 37.52 40.04 68.35 36.36 40.84 69.18 36.94 40.44 3 0 1000.00 -999 ? >ALA.B 12 70.56 41.27 39.89 71.06 41.96 38.66 70.81 41.62 39.27 2 0 1000.00 -999 ? >ASP~B 13 66.65 43.68 40.16 66.11 43.31 38.10 66.38 43.50 39.13 2 0 1000.00 -999 ? >ILE~B 14 63.12 42.18 43.53 62.61 42.37 44.57 62.87 42.28 44.05 3 0 1000.00 -999 ? >ARG~B 15 62.04 42.70 35.90 63.22 41.17 33.51 62.63 41.94 34.71 2 0 1000.00 -999 ? >GLN~B 16 66.57 39.85 36.71 68.59 39.67 36.00 67.58 39.76 36.35 2 0 1000.00 -999 ? >ALA~B 17 64.14 36.64 41.26 64.50 37.14 42.63 64.32 36.89 41.95 2 0 1000.00 -999 ? >GLU~B 18 59.09 38.64 41.75 58.57 40.68 41.21 58.83 39.66 41.48 2 0 1000.00 -999 ? >GLY~B 19 61.33 35.23 37.37 61.55 34.91 38.15 61.44 35.07 37.76 1 0 1000.00 -999 ? >ALA~B 20 63.57 32.48 38.74 64.87 32.68 39.49 64.22 32.58 39.11 2 0 1000.00 -999 ? >LEU~B 21 60.47 32.33 42.47 61.86 31.69 44.08 61.17 32.01 43.27 3 0 1000.00 -999 ? >ALA~B 22 58.48 31.35 38.33 58.06 32.38 37.36 58.27 31.86 37.84 2 0 1000.00 -999 ? >GLU~B 23 62.34 28.49 34.69 64.25 28.94 33.82 63.30 28.71 34.26 2 0 1000.00 -999 ? >ILE~B 24 62.05 27.40 40.98 62.97 27.37 42.07 62.51 27.38 41.52 3 0 1000.00 -999 ? >ALA~B 25 57.78 26.52 40.17 56.81 27.65 40.42 57.30 27.08 40.29 2 0 1000.00 -999 ? >THR~B 26 57.53 25.36 36.49 57.36 26.02 34.42 57.44 25.69 35.45 2 0 1000.00 -999 ? >ILE~B 27 61.76 23.26 37.26 63.19 23.23 37.07 62.47 23.25 37.16 3 0 1000.00 -999 ? >ASP~B 28 58.32 21.81 41.08 59.95 22.32 42.34 59.14 22.07 41.71 2 0 1000.00 -999 ? >ARG~B 29 52.52 23.15 37.09 53.61 26.03 36.91 53.07 24.59 37.00 2 0 1000.00 -999 ? >LYS~B 30 57.47 19.43 34.83 55.06 22.47 30.84 56.26 20.95 32.83 2 0 1000.00 -999 ? >VAL~B 31 59.28 16.80 37.00 61.02 17.34 38.38 60.15 17.07 37.69 3 0 1000.00 -999 ? >GLY~B 32 56.01 15.81 38.65 56.23 15.84 37.81 56.12 15.83 38.23 1 0 1000.00 -999 ? >GLU~B 33 53.46 16.16 33.41 53.08 18.20 32.98 53.27 17.18 33.20 2 0 1000.00 -999 ? >ILE~B 34 59.29 13.48 34.48 60.49 13.83 33.94 59.89 13.65 34.21 3 0 1000.00 -999 ? >GLU~B 35 58.51 11.56 39.63 59.11 13.19 40.83 58.81 12.37 40.23 2 0 1000.00 -999 ? >ALA~B 36 53.59 10.45 36.60 52.57 11.55 36.36 53.08 11.00 36.48 2 0 1000.00 -999 ? >GLN~B 37 55.09 10.20 30.83 55.57 12.28 30.28 55.33 11.24 30.55 2 0 1000.00 -999 ? >MET?B 38 57.09 6.93 35.17 59.98 6.96 38.34 58.53 6.95 36.76 2 0 1000.00 -999 ? >ASN~B 39 53.79 6.41 38.48 54.85 6.44 40.27 54.32 6.42 39.37 2 0 1000.00 -999 ? >GLU~B 40 52.04 5.98 32.28 51.10 7.46 31.01 51.57 6.72 31.64 2 0 1000.00 -999 ? >ALA~B 41 54.86 2.71 33.02 56.08 3.30 32.39 55.47 3.01 32.71 2 0 1000.00 -999 ? >ILE~B 42 56.09 1.58 37.63 56.95 1.69 38.82 56.52 1.64 38.22 3 0 1000.00 -999 ? >ASP~B 43 50.87 0.98 36.50 50.89 1.91 38.33 50.88 1.44 37.41 2 0 1000.00 -999 ? >ALA~B 44 51.81 -0.94 32.80 52.10 -0.11 31.59 51.95 -0.52 32.20 2 0 1000.00 -999 ? >ALA~B 45 54.69 -3.30 33.59 56.09 -2.96 33.91 55.39 -3.13 33.75 2 0 1000.00 -999 ? >LYS~B 46 53.09 -4.77 36.68 54.11 -1.98 42.49 53.60 -3.37 39.59 2 0 1000.00 -999 ? >ALA~B 47 50.10 -5.52 34.38 48.97 -4.49 34.06 49.54 -5.01 34.22 2 0 1000.00 -999 ? >ARG~B 48 53.38 -5.03 28.56 55.16 -2.61 29.35 54.27 -3.82 28.96 2 0 1000.00 -999 ? >ALA~B 49 53.54 -9.40 34.30 54.36 -8.99 35.50 53.95 -9.20 34.90 2 0 1000.00 -999 ? >SER~B 50 50.18 -10.12 35.85 48.48 -9.60 37.48 49.33 -9.86 36.67 2 0 1000.00 -999 ? >GLN~B 51 47.21 -9.60 31.48 47.22 -7.91 30.11 47.21 -8.75 30.80 2 0 1000.00 -999 ? >LYS~B 52 51.59 -13.34 31.21 56.02 -10.60 27.55 53.81 -11.97 29.38 2 0 1000.00 -999 ? >SER~B 53 51.42 -15.07 34.56 51.82 -14.11 36.73 51.62 -14.59 35.64 2 0 1000.00 -999 ? >ALA~B 54 47.80 -15.56 35.52 46.69 -14.52 35.43 47.24 -15.04 35.48 2 0 1000.00 -999 ? >PRO~B 55 47.76 -16.99 31.37 47.44 -17.84 33.39 47.60 -17.41 32.38 3 0 1000.00 -999 ? >LEU~B 56 51.82 -19.51 34.61 53.11 -19.59 32.81 52.47 -19.55 33.71 3 0 1000.00 -999 ? >LEU~B 57 49.00 -18.27 38.94 50.65 -17.23 39.99 49.82 -17.75 39.46 3 0 1000.00 -999 ? >ALA~B 58 45.64 -20.96 37.47 44.79 -20.43 36.38 45.21 -20.70 36.92 2 0 1000.00 -999 ? >ARG~B 59 48.04 -26.52 34.06 48.41 -29.58 33.58 48.22 -28.05 33.82 2 0 1000.00 -999 ? >ARG~B 60 51.74 -22.29 41.49 53.11 -23.33 44.06 52.43 -22.81 42.77 2 0 1000.00 -999 ? >LYS~B 61 46.39 -24.19 41.30 43.23 -23.66 46.15 44.81 -23.93 43.72 2 0 1000.00 -999 ? >GLU~B 62 43.25 -26.25 37.32 43.26 -25.57 35.31 43.26 -25.91 36.32 2 0 1000.00 -999 ? >LEU~B 63 49.24 -28.83 39.18 50.06 -29.27 37.17 49.65 -29.05 38.17 3 0 1000.00 -999 ? >GLU~B 64 47.50 -25.89 44.61 48.33 -23.85 44.92 47.92 -24.87 44.76 2 0 1000.00 -999 ? >ASP~B 65 43.12 -28.49 43.56 42.90 -26.47 44.30 43.01 -27.48 43.93 2 0 1000.00 -999 ? >GLY~B 66 44.79 -32.40 41.92 45.13 -32.13 42.62 44.96 -32.26 42.27 1 0 1000.00 -999 ? >VAL~B 67 47.74 -33.53 44.09 49.99 -33.23 43.97 48.87 -33.38 44.03 3 0 1000.00 -999 ? >ALA~B 68 45.93 -32.51 47.31 45.33 -31.11 47.56 45.63 -31.81 47.44 2 0 1000.00 -999 ? >THR~B 69 42.82 -34.39 46.31 41.19 -33.89 45.03 42.01 -34.14 45.67 2 0 1000.00 -999 ? >PHE~B 70 46.94 -38.70 44.58 48.92 -40.70 44.81 47.93 -39.70 44.70 3 0 1000.00 -999 ? >ALA~B 71 46.92 -37.31 48.79 47.94 -36.30 49.21 47.43 -36.80 49.00 2 0 1000.00 -999 ? >THR~B 72 43.71 -36.92 50.93 42.66 -34.95 50.60 43.18 -35.93 50.76 2 0 1000.00 -999 ? >LEU~B 73 41.51 -39.91 47.67 39.60 -39.69 46.60 40.55 -39.80 47.14 3 0 1000.00 -999 ? >ASN~B 74 45.72 -42.18 49.13 44.74 -42.88 47.36 45.23 -42.53 48.25 2 0 1000.00 -999 ? >LYS~B 75 45.60 -40.24 53.59 45.93 -36.23 57.50 45.77 -38.24 55.54 2 0 1000.00 -999 ? >THR~B 76 45.58 -43.40 55.79 43.67 -44.51 55.43 44.63 -43.95 55.61 2 0 1000.00 -999 ? >GLU~B 77 45.38 -46.06 51.87 44.66 -46.96 50.03 45.02 -46.51 50.95 2 0 1000.00 -999 ? >MET?B 78 50.06 -43.20 52.10 49.85 -40.85 48.60 49.96 -42.02 50.35 2 0 1000.00 -999 ? >PHE~B 79 51.05 -39.12 54.34 51.47 -37.51 52.15 51.26 -38.31 53.24 3 0 1000.00 -999 ? >SER.B 84 55.66 -36.61 54.70 57.78 -35.42 54.88 56.72 -36.02 54.79 2 0 1000.00 -999 ? >LEU^B 85 55.91 -39.09 50.30 54.00 -40.04 50.16 54.95 -39.56 50.23 3 0 1000.00 -999 ? >ASP^B 86 61.11 -37.04 49.30 62.22 -35.79 47.98 61.66 -36.41 48.64 2 0 1000.00 -999 ? >LEU.B 87 57.25 -36.78 44.98 55.45 -37.71 45.73 56.35 -37.24 45.36 3 0 1000.00 -999 ? >GLY.B 88 61.87 -35.56 44.11 61.29 -35.04 44.42 61.58 -35.30 44.26 1 0 1000.00 -999 ? >PHE.B 89 60.92 -31.85 40.53 62.56 -31.94 38.32 61.74 -31.89 39.43 3 0 1000.00 -999 ? >GLY.B 90 59.17 -31.53 46.45 59.09 -32.38 46.28 59.13 -31.95 46.37 1 0 1000.00 -999 ? >THR^B 91 57.68 -33.11 49.55 58.89 -33.53 51.27 58.29 -33.32 50.41 2 0 1000.00 -999 ? >ILE^B 92 52.97 -33.83 49.17 52.48 -34.50 48.08 52.73 -34.16 48.63 3 0 1000.00 -999 ? >GLY.B 93 51.98 -34.19 53.31 51.72 -33.48 53.07 51.85 -33.84 53.19 1 0 1000.00 -999 ? >PHE.B 94 47.83 -34.31 55.30 46.12 -34.91 53.17 46.97 -34.61 54.23 3 0 1000.00 -999 ? >ARG.B 95 53.35 -28.49 57.79 54.63 -26.70 55.65 53.99 -27.60 56.72 2 0 1000.00 -999 ? >LEU.B 96 49.35 -29.18 63.33 47.70 -30.53 63.98 48.52 -29.86 63.65 3 0 1000.00 -999 ? >SER.B 97 49.48 -24.81 61.62 50.32 -24.26 59.45 49.90 -24.54 60.54 2 0 1000.00 -999 ? >THR.B 98 48.45 -22.56 64.43 49.90 -22.82 65.93 49.18 -22.69 65.18 2 0 1000.00 -999 ? >GLN.B 99 47.62 -17.03 62.17 46.18 -16.09 60.82 46.90 -16.56 61.50 2 0 1000.00 -999 ? >ILE.B 100 47.91 -16.18 67.99 48.22 -16.24 69.39 48.07 -16.21 68.69 3 0 1000.00 -999 ? >VAL.B 101 44.48 -13.87 65.82 43.16 -14.41 64.17 43.82 -14.14 64.99 3 0 1000.00 -999 ? >GLN.B 102 43.54 -8.85 66.91 44.19 -8.37 68.86 43.86 -8.61 67.88 2 0 1000.00 -999 ? >MET?B 103 38.86 -11.98 68.38 38.31 -13.36 72.43 38.58 -12.67 70.40 2 0 1000.00 -999 ? >SER.B 104 36.28 -10.33 66.31 34.37 -10.23 64.94 35.32 -10.28 65.63 2 0 1000.00 -999 ? >LYS.B 105 36.06 -6.59 66.94 33.03 -6.64 62.62 34.55 -6.62 64.78 2 0 1000.00 -999 ? >ILE.B 106 39.05 -7.83 70.60 38.42 -7.47 71.95 38.74 -7.65 71.28 3 0 1000.00 -999 ? >THR~B 107 41.61 -4.40 68.72 41.59 -2.25 68.36 41.60 -3.32 68.54 2 0 1000.00 -999 ? >LYS~B 108 45.37 -4.92 69.09 50.14 -5.90 65.16 47.76 -5.41 67.13 2 0 1000.00 -999 ? >ASP~B 109 45.01 -0.57 71.25 46.13 0.28 69.67 45.57 -0.15 70.46 2 0 1000.00 -999 ? >MET?B 110 42.58 -3.38 73.62 38.69 -3.03 71.76 40.63 -3.20 72.69 2 0 1000.00 -999 ? >THR~B 111 44.57 -6.61 73.90 44.90 -8.36 72.79 44.74 -7.49 73.35 2 0 1000.00 -999 ? >LEU~B 112 48.54 -3.62 74.15 49.95 -3.98 72.50 49.25 -3.80 73.32 3 0 1000.00 -999 ? >GLU~B 113 44.51 -0.77 77.62 43.78 -0.35 79.52 44.14 -0.56 78.57 2 0 1000.00 -999 ? >ARG~B 114 41.09 -7.53 77.32 38.23 -7.88 76.14 39.66 -7.71 76.73 2 0 1000.00 -999 ? >LEU~B 115 48.89 -7.71 77.78 48.97 -9.50 76.44 48.93 -8.60 77.11 3 0 1000.00 -999 ? >ARG~B 116 50.01 -1.06 79.43 49.00 -0.63 76.53 49.51 -0.84 77.98 2 0 1000.00 -999 ? >GLN~B 117 43.84 -3.64 83.08 42.07 -3.34 81.88 42.95 -3.49 82.48 2 0 1000.00 -999 ? >PHE~B 118 45.04 -9.80 83.30 42.36 -10.53 83.36 43.70 -10.17 83.33 3 0 1000.00 -999 ? >GLY~B 119 50.73 -7.78 84.35 50.40 -8.22 83.79 50.56 -8.00 84.07 1 0 1000.00 -999 ? >ILE~B 120 50.43 -11.11 80.94 49.67 -12.20 80.76 50.05 -11.65 80.85 3 0 1000.00 -999 ? >SER~B 121 54.49 -8.43 80.55 56.69 -7.59 80.87 55.59 -8.01 80.71 2 0 1000.00 -999 ? >GLU~B 122 55.19 -13.57 79.93 55.60 -12.97 81.99 55.40 -13.27 80.96 2 0 1000.00 -999 ? >GLY~B 123 52.85 -10.87 76.06 53.40 -10.29 76.20 53.12 -10.58 76.13 1 0 1000.00 -999 ? >ILE~B 124 53.67 -6.25 76.03 52.97 -5.29 76.68 53.32 -5.77 76.36 3 0 1000.00 -999 ? >ARG.B 125 58.49 -8.45 69.37 56.06 -8.01 67.53 57.27 -8.23 68.45 2 0 1000.00 -999 ? >ILE.B 126 59.00 -3.08 74.48 58.75 -2.71 75.34 58.87 -2.89 74.91 3 0 1000.00 -999 ? >LYS.B 127 60.23 -1.45 70.46 63.65 -1.82 66.14 61.94 -1.64 68.30 2 0 1000.00 -999 ? >GLU.B 128 62.06 1.21 74.36 63.10 1.27 76.22 62.58 1.24 75.29 2 0 1000.00 -999 ? >ASP.B 129 62.20 4.93 68.62 63.14 6.03 67.04 62.67 5.48 67.83 2 0 1000.00 -999 ? >VAL.B 130 64.55 8.29 70.62 66.59 9.06 70.64 65.57 8.67 70.63 3 0 1000.00 -999 ? >ASN~B 131 60.83 10.72 72.28 59.17 12.05 72.20 60.00 11.39 72.24 2 0 1000.00 -999 ? >LYS~B 132 63.68 13.82 69.73 64.71 12.57 63.75 64.20 13.19 66.74 2 0 1000.00 -999 ? >GLU~B 133 59.26 15.63 67.34 60.27 13.95 66.38 59.77 14.79 66.86 2 0 1000.00 -999 ? >ALA~B 134 60.32 16.04 73.41 59.91 14.93 74.33 60.11 15.48 73.87 2 0 1000.00 -999 ? >MET?B 135 63.85 17.31 73.46 66.34 13.95 72.94 65.10 15.63 73.20 2 0 1000.00 -999 ? >GLN~B 136 61.10 22.00 71.15 59.82 22.51 69.45 60.46 22.25 70.30 2 0 1000.00 -999 ? >GLY.B 137 63.90 22.76 74.98 64.21 22.03 74.93 64.06 22.39 74.95 1 0 1000.00 -999 ? >TRP.B 138 64.81 18.35 76.82 66.39 14.80 77.23 65.60 16.58 77.03 3 0 1000.00 -999 ? >PRO~B 139 69.62 21.98 79.28 69.38 22.06 77.07 69.50 22.02 78.17 3 0 1000.00 -999 ? >ASP~B 140 74.18 22.01 74.38 73.73 22.90 72.51 73.96 22.46 73.44 2 0 1000.00 -999 ? >GLU~B 141 76.15 21.30 78.88 75.51 23.18 78.08 75.83 22.24 78.48 2 0 1000.00 -999 ? >ARG~B 142 68.37 17.27 80.72 66.00 15.96 82.25 67.19 16.62 81.49 2 0 1000.00 -999 ? >LEU~B 143 71.63 16.91 73.73 69.84 17.69 72.59 70.74 17.30 73.16 3 0 1000.00 -999 ? >GLU~B 144 78.07 16.25 75.17 79.69 17.47 75.80 78.88 16.86 75.48 2 0 1000.00 -999 ? >MET?B 145 74.78 13.55 78.55 73.03 14.43 82.35 73.91 13.99 80.45 2 0 1000.00 -999 ? >VAL~B 146 72.87 10.99 76.52 70.78 11.59 76.81 71.83 11.29 76.67 3 0 1000.00 -999 ? >GLY.B 147 75.00 10.86 73.36 74.49 11.41 73.42 74.75 11.14 73.39 1 0 1000.00 -999 ? >LEU.B 148 71.53 13.51 71.63 70.24 11.72 71.56 70.89 12.61 71.59 3 0 1000.00 -999 ? >LYS.B 149 73.95 16.62 69.66 79.18 19.20 67.35 76.57 17.91 68.51 2 0 1000.00 -999 ? >ARG.B 150 68.96 21.92 69.18 68.47 21.64 72.25 68.72 21.78 70.72 2 0 1000.00 -999 ? >ARG.B 151 73.99 18.13 62.48 75.60 16.16 60.71 74.79 17.14 61.60 2 0 1000.00 -999 ? >THR.B 152 71.62 24.33 64.00 71.02 25.84 65.46 71.32 25.09 64.73 2 0 1000.00 -999 ? >THR.B 153 71.82 26.40 60.80 72.65 25.40 59.08 72.24 25.90 59.94 2 0 1000.00 -999 ? >ASP.B 154 70.87 31.19 60.37 69.28 32.67 60.27 70.08 31.93 60.32 2 0 1000.00 -999 ? >ALA.B 155 69.72 29.00 56.22 69.91 27.48 55.94 69.81 28.24 56.08 2 0 1000.00 -999 ? >PHE.B 156 68.14 31.60 50.89 66.38 32.60 48.96 67.26 32.10 49.92 3 0 1000.00 -999 ? >TYR.B 157 63.13 29.43 53.67 61.31 31.40 54.60 62.22 30.41 54.14 3 0 1000.00 -999 ? >ILE.B 158 63.01 28.64 47.76 63.34 29.07 46.39 63.17 28.86 47.08 3 0 1000.00 -999 ? >GLU.B 159 58.62 28.21 52.31 58.57 26.45 53.48 58.59 27.33 52.90 2 0 1000.00 -999 ? >ILE.B 160 57.44 26.50 45.33 57.96 27.20 44.18 57.70 26.85 44.75 3 0 1000.00 -999 ? >ASN.B 161 53.06 29.84 45.68 50.94 30.13 45.41 52.00 29.98 45.54 2 0 1000.00 -999 ? >ARG.B 162 52.15 24.05 48.76 53.49 22.15 50.77 52.82 23.10 49.77 2 0 1000.00 -999 ? >GLU.B 163 50.19 28.12 41.70 50.61 28.01 39.61 50.40 28.06 40.65 2 0 1000.00 -999 ? >GLU.B 164 46.96 22.75 46.05 47.03 22.19 43.90 46.99 22.47 44.97 2 0 1000.00 -999 ? >VAL.B 165 42.33 26.19 44.81 40.59 25.29 44.00 41.46 25.74 44.40 3 0 1000.00 -999 ?