REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-MAY-07 2Q00 COMPND ORF C02003 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 STRAIN: P2, DSM 1617, JCM 11322; SOURCE 5 ATCC: 35092; SOURCE 6 GENE: ORF C02003, SSO2109; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG,L.OWENS,L-C.MA, AUTHOR 2 K.CUNNINGHAM,Y.FANG,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) >SER.A 2 57.85 30.23 80.36 59.24 30.41 78.33 58.55 30.32 79.34 2 0 1000.00 -999 ? >ILE.A 3 55.68 28.05 76.79 55.68 27.25 75.61 55.68 27.65 76.20 3 0 1000.00 -999 ? >SER.A 4 52.82 25.95 79.84 51.14 27.44 80.74 51.98 26.69 80.29 2 0 1000.00 -999 ? >THR~A 5 53.26 22.22 79.39 54.24 21.58 81.20 53.75 21.90 80.30 2 0 1000.00 -999 ? >SER~A 6 50.45 20.07 78.06 51.50 17.94 77.62 50.97 19.01 77.84 2 0 1000.00 -999 ? >ALA~A 7 50.26 18.66 81.61 51.45 18.16 82.41 50.85 18.41 82.01 2 0 1000.00 -999 ? >GLU~A 8 51.92 22.96 83.96 53.49 24.35 83.64 52.70 23.66 83.80 2 0 1000.00 -999 ? >VAL~A 9 47.01 22.93 80.57 47.11 23.68 78.54 47.06 23.30 79.56 3 0 1000.00 -999 ? >TYR~A 10 45.26 17.88 79.56 45.01 16.90 76.96 45.13 17.39 78.26 3 0 1000.00 -999 ? >TYR~A 11 46.12 20.71 87.21 45.58 20.67 89.95 45.85 20.69 88.58 3 0 1000.00 -999 ? >GLU~A 13 41.96 22.96 79.84 41.98 22.00 77.92 41.97 22.48 78.88 2 0 1000.00 -999 ? >ALA~A 14 40.16 20.15 84.85 41.10 19.08 85.40 40.63 19.62 85.13 2 0 1000.00 -999 ? >GLU~A 15 42.55 23.23 88.28 42.50 22.92 90.38 42.52 23.07 89.33 2 0 1000.00 -999 ? >GLU~A 16 38.84 26.54 83.75 38.94 27.22 81.72 38.89 26.88 82.73 2 0 1000.00 -999 ? >PHE~A 17 35.55 20.79 82.82 35.50 20.86 80.03 35.52 20.83 81.43 3 0 1000.00 -999 ? >LEU~A 18 36.76 21.11 89.49 36.84 20.57 91.59 36.80 20.84 90.54 3 0 1000.00 -999 ? >SER~A 19 34.58 24.92 89.53 36.65 26.19 89.77 35.61 25.55 89.65 2 0 1000.00 -999 ? >LYS~A 20 31.49 24.67 87.35 32.73 28.63 83.73 32.11 26.65 85.54 2 0 1000.00 -999 ? >GLY.A 21 30.49 21.35 88.89 30.86 21.38 88.20 30.68 21.37 88.54 1 0 1000.00 -999 ? >ASP~A 22 31.64 19.82 84.41 31.18 18.46 82.86 31.41 19.14 83.64 2 0 1000.00 -999 ? >LEU~A 23 32.26 15.67 88.90 32.10 16.45 90.91 32.18 16.06 89.90 3 0 1000.00 -999 ? >VAL~A 24 32.86 13.93 84.80 31.24 12.84 83.88 32.05 13.39 84.34 3 0 1000.00 -999 ? >GLN~A 25 33.39 17.31 80.70 34.56 16.84 78.97 33.98 17.07 79.84 2 0 1000.00 -999 ? >ALA~A 26 37.19 17.42 85.26 36.76 18.03 86.60 36.98 17.72 85.93 2 0 1000.00 -999 ? >CYH~A 27 38.14 13.84 86.17 36.35 12.85 88.11 37.25 13.34 87.14 2 0 1000.00 -999 ? >GLU~A 28 38.65 12.35 80.14 39.96 10.72 80.55 39.31 11.54 80.34 2 0 1000.00 -999 ? >LYS~A 29 41.11 16.24 82.23 39.62 18.49 78.11 40.37 17.36 80.17 2 0 1000.00 -999 ? >TYR~A 30 41.77 16.58 87.57 40.92 18.90 88.91 41.35 17.74 88.24 3 0 1000.00 -999 ? >TYR~A 31 43.40 9.73 83.36 44.71 7.41 82.53 44.06 8.57 82.95 3 0 1000.00 -999 ? >LYS~A 32 44.94 13.49 80.86 40.87 14.25 76.07 42.91 13.87 78.46 2 0 1000.00 -999 ? >ALA~A 33 47.03 15.94 82.89 46.53 16.86 84.03 46.78 16.40 83.46 2 0 1000.00 -999 ? >ALA~A 34 48.52 12.91 84.64 47.75 11.94 85.52 48.13 12.42 85.08 2 0 1000.00 -999 ? >GLU~A 35 48.83 9.94 79.19 47.44 9.33 77.73 48.14 9.64 78.46 2 0 1000.00 -999 ? >GLU~A 36 49.40 15.35 78.71 50.08 14.63 76.85 49.74 14.99 77.78 2 0 1000.00 -999 ? >ALA~A 37 53.08 14.38 83.29 52.48 14.46 84.68 52.78 14.42 83.98 2 0 1000.00 -999 ? >ILE~A 38 53.38 9.54 82.85 53.85 8.74 84.00 53.62 9.14 83.43 3 0 1000.00 -999 ? >LYS~A 39 55.23 11.23 79.23 50.32 10.86 75.26 52.78 11.04 77.25 2 0 1000.00 -999 ? >LEU~A 40 56.58 15.62 80.80 57.29 17.63 80.50 56.93 16.62 80.65 3 0 1000.00 -999 ? >LEU~A 41 58.25 12.02 84.18 57.92 13.14 85.99 58.08 12.58 85.09 3 0 1000.00 -999 ? >VAL~A 42 59.69 9.55 80.69 58.57 7.89 79.81 59.13 8.72 80.25 3 0 1000.00 -999 ? >ILE~A 43 60.40 13.07 77.43 60.51 12.70 76.05 60.46 12.89 76.74 3 0 1000.00 -999 ? >GLU~A 44 61.99 15.97 81.22 63.15 17.10 79.87 62.57 16.53 80.55 2 0 1000.00 -999 ? >ASN~A 45 63.76 9.95 83.61 63.64 10.84 85.53 63.70 10.40 84.57 2 0 1000.00 -999 ? >ASN~A 46 66.48 9.76 78.79 67.03 9.29 76.79 66.76 9.52 77.79 2 0 1000.00 -999 ? >LEU~A 47 62.36 5.65 80.41 62.54 6.15 82.50 62.45 5.90 81.46 3 0 1000.00 -999 ? >GLU~A 49 64.14 0.73 79.38 64.46 2.24 80.82 64.30 1.49 80.10 2 0 1000.00 -999 ? >ILE~A 50 58.29 3.03 78.57 57.52 4.17 79.09 57.91 3.60 78.83 3 0 1000.00 -999 ? >THR~A 51 59.33 4.80 74.54 60.75 6.32 75.06 60.04 5.56 74.80 2 0 1000.00 -999 ? >ASN~A 52 61.55 0.93 72.59 63.44 1.89 72.73 62.50 1.41 72.66 2 0 1000.00 -999 ? >ASN~A 53 57.04 -0.17 75.11 55.84 -1.90 75.47 56.44 -1.03 75.29 2 0 1000.00 -999 ? >VAL.A 54 55.40 3.03 72.06 55.37 5.15 72.57 55.38 4.09 72.32 3 0 1000.00 -999 ? >GLY.A 58 48.70 9.86 69.90 49.23 9.32 70.19 48.96 9.59 70.05 1 0 1000.00 -999 ? >ARG.A 59 44.45 10.05 74.49 42.75 9.95 77.04 43.60 10.00 75.76 2 0 1000.00 -999 ? >TRP.A 60 51.93 7.52 74.46 55.03 7.77 76.89 53.48 7.65 75.68 3 0 1000.00 -999 ? >LYS~A 61 48.53 2.22 76.36 49.68 -3.27 74.58 49.11 -0.52 75.47 2 0 1000.00 -999 ? >SER~A 62 47.56 2.36 80.02 45.14 2.49 79.82 46.35 2.42 79.92 2 0 1000.00 -999 ? >GLU~A 63 48.88 -2.67 80.25 47.31 -2.25 78.91 48.10 -2.46 79.58 2 0 1000.00 -999 ? >ASN~A 64 52.97 2.48 78.08 53.47 1.22 76.45 53.22 1.85 77.27 2 0 1000.00 -999 ? >LEU~A 65 50.55 5.21 81.91 50.49 6.23 80.01 50.52 5.72 80.96 3 0 1000.00 -999 ? >PHE~A 66 49.43 1.06 85.31 46.89 1.63 86.36 48.16 1.35 85.84 3 0 1000.00 -999 ? >LYS~A 67 55.13 0.62 83.65 54.11 -2.26 79.01 54.62 -0.82 81.33 2 0 1000.00 -999 ? >ALA~A 68 56.41 4.15 83.36 55.79 5.20 82.45 56.10 4.67 82.90 2 0 1000.00 -999 ? >SER~A 69 55.16 5.09 86.82 53.14 3.77 87.27 54.15 4.43 87.04 2 0 1000.00 -999 ? >LEU~A 71 60.21 2.59 84.93 59.94 0.88 83.63 60.08 1.73 84.28 3 0 1000.00 -999 ? >LEU~A 72 59.10 7.22 87.26 59.18 8.34 85.42 59.14 7.78 86.34 3 0 1000.00 -999 ? >SER~A 74 63.85 5.49 91.34 64.51 3.46 90.19 64.18 4.47 90.76 2 0 1000.00 -999 ? >ASN~A 75 63.05 9.74 89.15 63.04 11.88 89.05 63.04 10.81 89.10 2 0 1000.00 -999 ? >ASN.A 76 59.99 11.05 92.57 58.95 11.95 94.18 59.47 11.50 93.37 2 0 1000.00 -999 ? >THR.A 77 59.21 7.14 95.22 60.35 7.07 97.09 59.78 7.10 96.16 2 0 1000.00 -999 ? >GLU~A 78 55.97 10.57 97.02 55.12 12.38 97.71 55.54 11.48 97.36 2 0 1000.00 -999 ? >ILE~A 79 55.70 9.31 90.18 57.18 9.08 90.44 56.44 9.19 90.31 3 0 1000.00 -999 ? >PRO~A 80 55.46 4.67 92.74 54.17 5.86 91.35 54.81 5.26 92.05 3 0 1000.00 -999 ? >ILE~A 81 51.36 5.94 95.38 52.19 5.57 96.53 51.77 5.76 95.95 3 0 1000.00 -999 ? >LEU~A 82 51.16 10.59 92.15 52.35 11.48 93.73 51.75 11.04 92.94 3 0 1000.00 -999 ? >TRP~A 83 49.62 4.78 87.13 48.54 7.31 84.30 49.08 6.04 85.71 3 0 1000.00 -999 ? >LYS~A 84 47.07 5.25 90.92 50.85 2.02 93.33 48.96 3.63 92.13 2 0 1000.00 -999 ? >SER~A 85 44.95 8.27 91.93 45.98 9.11 93.94 45.46 8.69 92.94 2 0 1000.00 -999 ? >ALA~A 86 45.00 9.40 88.32 46.28 9.64 87.46 45.64 9.52 87.89 2 0 1000.00 -999 ? >TRP~A 87 43.42 2.32 87.54 43.40 2.33 83.60 43.41 2.32 85.57 3 0 1000.00 -999 ? >THR~A 88 41.02 6.04 89.89 40.91 5.83 92.02 40.97 5.94 90.96 2 0 1000.00 -999 ? >LEU~A 89 40.76 10.63 88.40 40.79 12.31 89.75 40.78 11.47 89.07 3 0 1000.00 -999 ? >HIS~A 90 40.95 6.83 82.99 40.83 6.21 80.99 40.89 6.52 81.99 3 0 1000.00 -999 ? >VAL~A 91 37.94 4.63 85.82 38.56 2.57 86.06 38.25 3.60 85.94 3 0 1000.00 -999 ? >GLU~A 92 36.22 3.76 90.66 37.04 3.61 92.58 36.63 3.69 91.62 2 0 1000.00 -999 ? >GLY.A 93 35.35 8.98 87.79 35.24 8.42 87.24 35.30 8.70 87.52 1 0 1000.00 -999 ? >PHE.A 94 35.65 10.07 81.69 34.86 10.71 79.07 35.25 10.39 80.38 3 0 1000.00 -999 ? >HIS.A 95 35.67 5.03 81.88 36.90 5.39 80.21 36.29 5.21 81.05 3 0 1000.00 -999 ? >GLU.A 96 32.87 2.57 86.96 34.05 1.61 88.45 33.46 2.09 87.70 2 0 1000.00 -999 ? >LEU.A 97 29.14 8.37 86.47 28.99 8.65 84.32 29.06 8.51 85.39 3 0 1000.00 -999 ? >SER.A 98 30.70 7.29 90.99 32.02 5.26 90.70 31.36 6.27 90.85 2 0 1000.00 -999 ? >LEU.A 99 34.27 10.21 92.11 36.09 9.07 92.34 35.18 9.64 92.23 3 0 1000.00 -999 ? >GLU~A 101 33.17 18.82 94.58 33.53 20.07 96.24 33.35 19.44 95.41 2 0 1000.00 -999 ? >GLU~A 103 35.51 10.44 97.32 33.43 10.09 97.40 34.47 10.26 97.36 2 0 1000.00 -999 ? >VAL~A 104 37.61 14.14 93.20 36.46 14.65 91.43 37.04 14.40 92.31 3 0 1000.00 -999 ? >LYS~A 105 39.38 16.99 94.99 36.08 22.12 96.52 37.73 19.55 95.75 2 0 1000.00 -999 ? >LYS~A 106 41.30 14.51 97.13 38.67 11.48 101.37 39.99 13.00 99.25 2 0 1000.00 -999 ? >LEU~A 107 41.66 11.55 93.28 40.91 9.54 93.69 41.28 10.54 93.49 3 0 1000.00 -999 ? >LYS~A 108 43.08 15.50 91.82 42.73 20.66 93.48 42.91 18.08 92.65 2 0 1000.00 -999 ? >GLU~A 109 46.11 17.87 96.72 46.23 19.82 95.84 46.17 18.84 96.28 2 0 1000.00 -999 ? >ASP~A 110 47.38 12.32 93.98 47.11 11.75 96.03 47.25 12.03 95.00 2 0 1000.00 -999 ? >VAL~A 111 47.64 14.75 90.10 46.17 14.56 88.52 46.91 14.65 89.31 3 0 1000.00 -999 ? >ARG~A 112 48.61 21.44 93.17 49.15 24.20 91.87 48.88 22.82 92.52 2 0 1000.00 -999 ? >LYS~A 113 51.85 16.94 92.72 53.74 14.65 98.36 52.79 15.80 95.54 2 0 1000.00 -999 ? >LEU~A 114 51.57 13.66 89.24 52.20 11.95 88.13 51.89 12.81 88.68 3 0 1000.00 -999 ? >VAL~A 115 52.17 17.56 87.30 50.48 18.61 86.41 51.32 18.08 86.85 3 0 1000.00 -999 ? >ILE~A 116 54.42 20.45 90.52 53.74 20.61 91.76 54.08 20.53 91.14 3 0 1000.00 -999 ? >PHE~A 117 56.87 15.35 91.47 56.83 14.93 94.25 56.85 15.14 92.86 3 0 1000.00 -999 ? >ALA~A 118 57.16 16.76 85.74 55.96 16.46 84.87 56.56 16.61 85.30 2 0 1000.00 -999 ? >VAL~A 119 57.38 20.50 85.17 55.94 22.10 85.30 56.66 21.30 85.23 3 0 1000.00 -999 ? >ASN~A 120 60.31 20.09 88.99 59.54 21.66 90.20 59.92 20.87 89.60 2 0 1000.00 -999 ? >SER~A 121 62.20 17.62 85.75 60.69 16.34 84.34 61.45 16.98 85.05 2 0 1000.00 -999 ? >LEU~A 122 61.31 20.84 82.25 59.91 20.20 80.74 60.61 20.52 81.49 3 0 1000.00 -999 ? >SER.B 4 51.60 17.51 72.79 49.60 16.25 72.25 50.60 16.88 72.52 2 0 1000.00 -999 ? >THR~B 5 52.10 21.26 73.04 52.48 21.89 71.00 52.29 21.58 72.02 2 0 1000.00 -999 ? >SER~B 6 49.81 23.60 74.97 51.07 25.68 75.14 50.44 24.64 75.05 2 0 1000.00 -999 ? >ALA~B 7 48.48 24.98 71.67 49.32 25.42 70.46 48.90 25.20 71.06 2 0 1000.00 -999 ? >GLU~B 8 49.05 20.59 69.14 50.58 19.12 69.09 49.81 19.85 69.12 2 0 1000.00 -999 ? >VAL~B 9 45.64 20.91 73.99 46.47 20.21 75.86 46.05 20.56 74.92 3 0 1000.00 -999 ? >TYR~B 10 44.60 26.03 75.26 45.41 27.06 77.74 45.00 26.54 76.50 3 0 1000.00 -999 ? >TYR~B 11 42.97 23.15 67.79 41.67 23.11 65.32 42.32 23.13 66.55 3 0 1000.00 -999 ? >GLU~B 12 41.57 17.69 72.41 42.81 16.37 73.53 42.19 17.03 72.97 2 0 1000.00 -999 ? >GLU~B 13 38.46 22.08 76.30 38.95 22.80 78.25 38.71 22.44 77.27 2 0 1000.00 -999 ? >ALA~B 14 37.95 23.97 71.57 38.80 24.97 70.79 38.37 24.47 71.18 2 0 1000.00 -999 ? >GLU~B 15 39.07 20.79 67.68 38.56 21.20 65.67 38.82 21.00 66.68 2 0 1000.00 -999 ? >GLU~B 16 36.94 18.20 73.13 37.76 17.68 75.01 37.35 17.94 74.07 2 0 1000.00 -999 ? >PHE~B 17 34.14 23.87 74.81 34.86 23.76 77.52 34.50 23.81 76.17 3 0 1000.00 -999 ? >LEU~B 18 33.49 23.28 68.03 33.27 24.29 66.11 33.38 23.78 67.07 3 0 1000.00 -999 ? >SER~B 19 30.87 19.79 68.61 32.27 18.31 69.93 31.57 19.05 69.27 2 0 1000.00 -999 ? >LYS~B 20 28.49 20.62 71.48 30.76 16.72 74.69 29.63 18.67 73.09 2 0 1000.00 -999 ? >GLY.B 21 27.67 24.08 70.15 28.06 23.95 70.81 27.87 24.02 70.48 1 0 1000.00 -999 ? >ASP~B 22 29.79 25.26 74.37 30.02 26.56 76.03 29.90 25.91 75.20 2 0 1000.00 -999 ? >LEU~B 23 29.64 29.40 69.81 28.94 28.49 67.96 29.29 28.94 68.89 3 0 1000.00 -999 ? >VAL~B 24 31.52 30.94 73.64 30.42 32.28 74.97 30.97 31.61 74.30 3 0 1000.00 -999 ? >GLN~B 25 32.73 27.64 77.32 33.39 26.56 79.03 33.06 27.10 78.18 2 0 1000.00 -999 ? >ALA~B 26 35.03 27.18 71.82 34.10 26.78 70.68 34.56 26.98 71.25 2 0 1000.00 -999 ? >CYH~B 27 36.09 30.72 70.76 33.99 31.89 69.26 35.04 31.30 70.01 2 0 1000.00 -999 ? >GLU~B 28 38.33 31.39 76.55 39.49 33.18 76.62 38.91 32.29 76.59 2 0 1000.00 -999 ? >LYS~B 29 39.85 28.01 73.66 40.10 26.52 78.78 39.97 27.26 76.22 2 0 1000.00 -999 ? >TYR~B 30 38.92 27.67 68.31 37.56 25.42 67.35 38.24 26.54 67.83 3 0 1000.00 -999 ? >TYR~B 31 42.10 34.25 71.95 43.85 36.42 72.24 42.97 35.34 72.09 3 0 1000.00 -999 ? >LYS~B 32 44.19 30.46 73.86 41.81 30.29 79.75 43.00 30.37 76.80 2 0 1000.00 -999 ? >ALA~B 33 45.46 27.88 71.33 44.61 26.95 70.44 45.04 27.42 70.88 2 0 1000.00 -999 ? >ALA~B 34 46.34 30.77 68.99 45.34 31.81 68.46 45.84 31.29 68.72 2 0 1000.00 -999 ? >GLU~B 35 48.22 33.66 74.16 47.09 34.51 75.76 47.66 34.08 74.96 2 0 1000.00 -999 ? >GLU~B 36 48.85 28.25 74.64 50.17 29.04 76.11 49.51 28.65 75.37 2 0 1000.00 -999 ? >ALA~B 37 51.04 28.83 69.06 50.04 28.77 67.92 50.54 28.80 68.49 2 0 1000.00 -999 ? >ILE~B 38 51.64 33.67 69.09 51.89 34.45 67.90 51.76 34.06 68.49 3 0 1000.00 -999 ? >LYS~B 39 54.39 32.03 72.10 51.28 32.12 77.58 52.83 32.08 74.84 2 0 1000.00 -999 ? >LEU~B 40 55.28 27.53 70.56 56.33 25.64 70.55 55.81 26.59 70.55 3 0 1000.00 -999 ? >LEU~B 41 55.88 31.00 66.49 54.94 29.87 64.91 55.41 30.43 65.70 3 0 1000.00 -999 ? >VAL~B 42 58.45 33.31 69.38 57.90 35.01 70.60 58.17 34.16 69.99 3 0 1000.00 -999 ? >ILE~B 43 60.11 30.01 72.54 60.01 29.53 73.85 60.06 29.77 73.19 3 0 1000.00 -999 ? >GLU~B 44 60.04 26.65 68.78 61.65 25.69 69.75 60.85 26.17 69.27 2 0 1000.00 -999 ? >ASN~B 45 61.36 32.33 65.51 60.50 30.92 64.20 60.93 31.62 64.86 2 0 1000.00 -999 ? >ASN.B 46 65.86 33.00 68.75 67.25 34.08 69.93 66.56 33.54 69.34 2 0 1000.00 -999 ? >LEU~B 47 60.95 36.57 68.54 60.27 36.18 66.52 60.61 36.38 67.53 3 0 1000.00 -999 ? >LYS~B 48 64.16 37.83 72.11 68.44 34.67 73.54 66.30 36.25 72.83 2 0 1000.00 -999 ? >GLU~B 49 61.94 43.18 69.79 61.70 43.79 67.79 61.82 43.48 68.79 2 0 1000.00 -999 ? >ILE~B 50 58.38 38.94 71.70 57.22 39.72 71.38 57.80 39.33 71.54 3 0 1000.00 -999 ? >THR~B 51 60.53 37.71 75.29 61.83 36.25 74.41 61.18 36.98 74.85 2 0 1000.00 -999 ? >ASN~B 52 63.43 41.57 75.97 65.36 40.77 75.63 64.39 41.17 75.80 2 0 1000.00 -999 ? >ASN~B 53 58.40 43.07 75.90 57.02 44.61 76.43 57.71 43.84 76.17 2 0 1000.00 -999 ? >VAL~B 54 57.39 39.57 78.52 56.27 37.91 77.67 56.83 38.74 78.10 3 0 1000.00 -999 ? >GLY.B 58 55.25 36.96 82.39 54.58 37.50 82.32 54.92 37.23 82.35 1 0 1000.00 -999 ? >ARG.B 59 49.61 38.90 84.60 49.09 40.46 87.19 49.35 39.68 85.89 2 0 1000.00 -999 ? >TRP.B 60 53.75 34.86 78.12 55.46 35.48 74.63 54.60 35.17 76.37 3 0 1000.00 -999 ? >LYS~B 61 49.65 40.81 77.23 52.84 44.60 80.31 51.24 42.70 78.77 2 0 1000.00 -999 ? >SER~B 62 47.75 40.98 73.93 46.20 42.82 74.04 46.97 41.90 73.99 2 0 1000.00 -999 ? >GLU~B 63 49.31 46.06 73.85 47.99 45.51 75.43 48.65 45.78 74.64 2 0 1000.00 -999 ? >ASN~B 64 53.36 40.47 74.12 54.11 41.56 75.75 53.73 41.01 74.94 2 0 1000.00 -999 ? >LEU~B 65 49.71 38.14 71.22 49.92 36.75 72.92 49.81 37.45 72.07 3 0 1000.00 -999 ? >PHE~B 66 47.95 42.52 68.06 45.16 42.24 67.70 46.56 42.38 67.88 3 0 1000.00 -999 ? >LYS~B 67 53.83 42.51 67.89 57.53 46.24 66.42 55.68 44.38 67.16 2 0 1000.00 -999 ? >ALA~B 68 55.09 38.93 67.80 54.85 37.86 68.85 54.97 38.40 68.32 2 0 1000.00 -999 ? >SER~B 69 52.67 38.13 64.97 50.70 39.58 64.84 51.69 38.86 64.91 2 0 1000.00 -999 ? >LYS~B 70 54.08 41.06 62.97 53.50 46.92 63.56 53.79 43.99 63.26 2 0 1000.00 -999 ? >LEU~B 71 58.33 39.98 64.99 58.83 41.82 66.01 58.58 40.90 65.50 3 0 1000.00 -999 ? >LEU~B 72 55.93 35.52 63.42 56.37 34.33 65.16 56.15 34.92 64.29 3 0 1000.00 -999 ? >ARG~B 73 54.17 40.73 57.37 54.34 40.64 54.31 54.26 40.68 55.84 2 0 1000.00 -999 ? >SER~B 74 59.29 37.89 58.05 60.83 38.20 59.89 60.06 38.04 58.97 2 0 1000.00 -999 ? >ASN~B 75 59.48 33.63 60.27 61.20 34.28 61.46 60.34 33.95 60.87 2 0 1000.00 -999 ? >ASN.B 76 55.42 32.17 58.17 53.95 31.10 57.05 54.68 31.63 57.61 2 0 1000.00 -999 ? >THR.B 77 54.02 36.09 55.73 54.59 36.12 53.64 54.31 36.10 54.69 2 0 1000.00 -999 ? >GLU~B 78 49.04 32.50 56.09 48.68 30.55 55.34 48.86 31.52 55.72 2 0 1000.00 -999 ? >ILE~B 79 52.42 34.36 61.16 53.26 33.67 62.09 52.84 34.02 61.63 3 0 1000.00 -999 ? >PRO~B 80 51.73 38.82 60.01 50.07 37.44 60.66 50.90 38.13 60.33 3 0 1000.00 -999 ? >ILE~B 81 46.59 36.44 57.47 46.37 36.57 56.08 46.48 36.51 56.77 3 0 1000.00 -999 ? >LEU~B 82 46.85 32.63 61.24 47.35 31.70 59.34 47.10 32.16 60.29 3 0 1000.00 -999 ? >TRP~B 83 47.31 38.82 65.99 47.00 36.38 69.10 47.15 37.60 67.54 3 0 1000.00 -999 ? >LYS~B 84 43.73 38.35 62.91 42.84 42.73 63.97 43.29 40.54 63.44 2 0 1000.00 -999 ? >SER~B 85 41.24 35.47 62.70 41.42 34.68 60.44 41.33 35.07 61.57 2 0 1000.00 -999 ? >ALA~B 86 42.25 34.41 66.22 43.67 34.06 66.65 42.96 34.23 66.43 2 0 1000.00 -999 ? >TRP~B 87 41.59 41.55 67.56 42.72 41.53 71.33 42.16 41.54 69.44 3 0 1000.00 -999 ? >THR~B 88 38.37 38.08 65.91 37.70 38.47 63.90 38.04 38.28 64.91 2 0 1000.00 -999 ? >LEU~B 89 37.98 33.48 67.56 37.62 31.86 66.21 37.80 32.67 66.89 3 0 1000.00 -999 ? >HIS~B 90 40.00 37.54 72.44 40.27 38.39 74.34 40.13 37.96 73.39 3 0 1000.00 -999 ? >VAL~B 91 36.53 39.63 70.41 37.02 41.56 69.56 36.78 40.60 69.99 3 0 1000.00 -999 ? >GLU~B 92 33.48 38.10 66.50 32.25 39.80 66.28 32.87 38.95 66.39 2 0 1000.00 -999 ? >GLY~B 93 33.28 35.59 71.85 33.37 36.42 71.91 33.33 36.01 71.88 1 0 1000.00 -999 ? >PHE~B 94 34.82 40.60 75.10 34.78 42.73 76.90 34.80 41.66 76.00 3 0 1000.00 -999 ? >HIS~B 95 31.21 42.40 72.04 32.35 44.15 72.31 31.78 43.28 72.18 3 0 1000.00 -999 ? >LEU.B 97 25.90 39.21 70.74 24.23 39.70 72.04 25.07 39.45 71.39 3 0 1000.00 -999 ? >LEU.B 99 28.59 33.71 68.45 30.23 34.16 69.78 29.41 33.93 69.11 3 0 1000.00 -999 ? >GLU~B 101 28.02 25.88 63.48 28.70 24.60 65.04 28.36 25.24 64.26 2 0 1000.00 -999 ? >GLU~B 103 30.40 33.48 59.91 29.37 35.26 60.39 29.89 34.37 60.15 2 0 1000.00 -999 ? >VAL~B 104 33.51 30.31 63.93 32.99 29.93 66.01 33.25 30.12 64.97 3 0 1000.00 -999 ? >LYS~B 105 34.48 27.22 61.96 30.11 22.62 61.40 32.29 24.92 61.68 2 0 1000.00 -999 ? >LYS~B 106 35.83 29.37 59.15 35.88 34.83 57.92 35.85 32.10 58.53 2 0 1000.00 -999 ? >LEU~B 107 37.48 32.39 62.56 36.73 34.40 62.20 37.10 33.40 62.38 3 0 1000.00 -999 ? >LYS~B 108 39.17 28.44 63.72 37.90 22.80 62.97 38.54 25.62 63.35 2 0 1000.00 -999 ? >GLU~B 109 40.84 26.38 58.04 41.89 24.51 58.14 41.36 25.44 58.09 2 0 1000.00 -999 ? >ASP~B 110 42.77 31.16 60.41 42.29 31.72 58.42 42.53 31.44 59.42 2 0 1000.00 -999 ? >VAL~B 111 43.82 28.97 64.21 42.83 29.29 66.15 43.32 29.13 65.18 3 0 1000.00 -999 ? >ARG~B 112 42.94 22.19 61.61 44.86 22.43 59.23 43.90 22.31 60.42 2 0 1000.00 -999 ? >LYS~B 113 47.06 26.41 60.53 44.63 26.67 55.19 45.84 26.54 57.86 2 0 1000.00 -999 ? >LEU~B 114 48.12 29.78 63.88 49.24 31.42 64.72 48.68 30.60 64.30 3 0 1000.00 -999 ? >VAL~B 115 48.96 25.75 65.59 47.55 24.74 66.92 48.26 25.24 66.26 3 0 1000.00 -999 ? >ILE~B 116 49.82 22.75 61.78 48.78 22.62 60.82 49.30 22.68 61.30 3 0 1000.00 -999 ? >PHE~B 117 52.27 27.73 60.24 51.62 28.23 57.53 51.94 27.98 58.88 3 0 1000.00 -999 ? >ALA~B 118 54.03 26.37 65.69 53.19 26.91 66.85 53.61 26.64 66.27 2 0 1000.00 -999 ? >VAL~B 119 54.20 22.61 66.10 52.80 20.97 66.45 53.50 21.79 66.28 3 0 1000.00 -999 ? >ASN~B 120 55.92 22.62 61.54 54.45 21.23 60.86 55.18 21.93 61.20 2 0 1000.00 -999 ? >SER~B 121 58.80 25.14 64.02 57.97 26.44 65.90 58.38 25.79 64.96 2 0 1000.00 -999 ? >LEU~B 122 58.64 22.02 67.56 58.17 22.27 69.65 58.41 22.15 68.60 3 0 1000.00 -999 ? >GLU.B 123 60.28 19.25 64.49 59.44 17.61 63.47 59.86 18.43 63.98 2 0 1000.00 -999 ?