REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-DEC-04 1YCY COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; SOURCE 3 ORGANISM_TAXID: 2261; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR L.HUANG,Z.-J.LIU,D.LEE,W.TEMPEL,J.CHANG,M.ZHAO,J.HABEL,H.XU, AUTHOR 2 L.CHEN,D.NGUYEN,S.-H.CHANG,P.HORANYI,Q.FLORENCE,W.ZHOU, AUTHOR 3 D.LIN,H.ZHANG,J.PRAISSMAN,F.E.JENNEY JR.,M.W.W.ADAMS, AUTHOR 4 J.P.ROSE,B.-C.WANG,SOUTHEAST COLLABORATORY FOR STRUCTURAL AUTHOR 5 GENOMICS (SECSG) HET MSE A 57 8 HET MSE A 68 8 HET MSE B 57 8 HET MSE B 68 8 HET MSE C 57 8 HET MSE C 68 8 HET MSE D 57 8 HET MSE D 68 8 >LEU~A 7 55.01 4.24 124.82 55.22 5.98 123.51 55.12 5.11 124.16 3 0 1000.00 -999 ? >VAL~A 10 48.47 2.30 124.35 48.18 3.75 125.97 48.33 3.03 125.16 3 0 1000.00 -999 ? >LEU~A 11 50.88 3.84 120.42 51.59 5.92 120.54 51.23 4.88 120.48 3 0 1000.00 -999 ? >GLU~A 13 45.24 -0.18 123.59 45.50 0.30 125.66 45.37 0.06 124.63 2 0 1000.00 -999 ? >TRP~A 14 44.85 4.97 122.79 46.18 8.44 124.09 45.51 6.71 123.44 3 0 1000.00 -999 ? >LYS~A 15 45.58 3.60 116.18 49.40 -0.35 113.88 47.49 1.63 115.03 2 0 1000.00 -999 ? >GLY.A 16 42.55 4.52 114.14 42.89 5.10 114.64 42.72 4.81 114.39 1 0 1000.00 -999 ? >HIS.A 17 40.60 5.52 118.09 39.97 3.53 118.29 40.29 4.53 118.19 3 0 1000.00 -999 ? >LYS^A 18 41.55 11.01 116.49 38.25 16.49 115.90 39.90 13.75 116.20 2 0 1000.00 -999 ? >VAL^A 19 44.24 12.39 118.84 45.71 10.81 118.45 44.97 11.60 118.65 3 0 1000.00 -999 ? >ALA^A 20 45.68 15.78 119.83 45.05 16.75 120.77 45.36 16.26 120.30 2 0 1000.00 -999 ? >VAL^A 21 49.46 16.23 119.95 50.76 14.79 118.91 50.11 15.51 119.43 3 0 1000.00 -999 ? >SER^A 22 51.50 19.02 121.53 52.13 20.53 123.40 51.82 19.77 122.46 2 0 1000.00 -999 ? >GLY.A 24 57.36 21.91 121.67 56.63 21.59 121.92 57.00 21.75 121.79 1 0 1000.00 -999 ? >PHE.A 29 49.20 20.87 114.27 50.34 22.94 112.73 49.77 21.91 113.50 3 0 1000.00 -999 ? >THR^A 30 45.03 17.24 115.93 42.91 17.15 116.47 43.97 17.19 116.20 2 0 1000.00 -999 ? >GLY^A 31 44.38 14.27 113.57 44.57 13.96 114.31 44.48 14.12 113.94 1 0 1000.00 -999 ? >THR^A 32 43.98 10.51 113.20 42.46 9.38 112.11 43.22 9.95 112.65 2 0 1000.00 -999 ? >LEU^A 33 46.98 7.76 115.97 48.92 6.93 116.61 47.95 7.35 116.29 3 0 1000.00 -999 ? >GLU^A 34 48.27 6.15 108.88 48.34 6.96 106.93 48.30 6.55 107.91 2 0 1000.00 -999 ? >ASP^A 35 51.22 4.03 111.26 51.57 2.00 111.69 51.40 3.01 111.48 2 0 1000.00 -999 ? >PHE^A 36 52.62 3.99 116.76 51.74 1.68 118.05 52.18 2.83 117.41 3 0 1000.00 -999 ? >ASP.A 37 57.83 2.89 114.89 59.00 4.42 114.03 58.41 3.65 114.46 2 0 1000.00 -999 ? >VAL^A 40 57.95 8.71 115.13 58.90 8.87 113.12 58.42 8.79 114.13 3 0 1000.00 -999 ? >ILE^A 41 53.24 9.31 115.86 52.83 9.88 117.07 53.04 9.59 116.47 3 0 1000.00 -999 ? >LEU^A 42 52.33 8.25 110.44 51.94 8.60 108.30 52.14 8.42 109.37 3 0 1000.00 -999 ? >LEU^A 43 48.99 12.79 112.23 49.14 12.97 114.38 49.07 12.88 113.30 3 0 1000.00 -999 ? >ASP^A 45 42.56 13.38 107.97 42.31 12.08 106.28 42.44 12.73 107.12 2 0 1000.00 -999 ? >VAL^A 46 45.33 16.92 110.07 47.43 16.95 110.66 46.38 16.94 110.36 3 0 1000.00 -999 ? >ASP^A 48 44.89 23.94 112.26 45.20 25.93 112.90 45.04 24.94 112.58 2 0 1000.00 -999 ? >ILE.A 50 42.10 28.31 111.08 42.72 29.11 111.31 42.41 28.71 111.20 3 0 1000.00 -999 ? >GLY^A 51 40.81 24.21 109.31 41.53 24.14 109.65 41.17 24.17 109.48 1 0 1000.00 -999 ? >ASN^A 52 42.43 21.16 105.87 40.55 20.29 105.56 41.49 20.72 105.72 2 0 1000.00 -999 ? >ARG^A 53 46.78 24.10 108.52 47.97 26.72 107.49 47.38 25.41 108.00 2 0 1000.00 -999 ? >GLY^A 54 47.59 18.37 105.57 46.98 18.10 105.96 47.28 18.23 105.76 1 0 1000.00 -999 ? >GLN^A 56 49.36 11.46 105.24 50.19 9.50 105.02 49.77 10.48 105.13 2 0 1000.00 -999 ? >MET?A 57 52.22 14.51 109.18 51.77 17.57 111.98 52.00 16.04 110.58 2 0 1000.00 -999 ? >LEU^A 58 56.54 12.64 109.77 57.21 10.70 109.15 56.87 11.67 109.46 3 0 1000.00 -999 ? >ILE^A 59 55.27 14.11 115.04 54.24 14.93 115.46 54.75 14.52 115.25 3 0 1000.00 -999 ? >GLY^A 60 59.33 12.51 116.28 58.64 12.90 116.62 58.98 12.70 116.45 1 0 1000.00 -999 ? >LEU.A 61 58.69 9.72 120.14 56.97 8.41 119.68 57.83 9.07 119.91 3 0 1000.00 -999 ? >ILE^A 64 55.56 14.31 121.33 54.64 13.56 120.60 55.10 13.93 120.97 3 0 1000.00 -999 ? >ASN^A 65 54.40 18.25 125.26 55.87 19.73 125.04 55.13 18.99 125.15 2 0 1000.00 -999 ? >TRP^A 66 51.03 17.80 126.92 47.97 18.42 124.57 49.50 18.11 125.75 3 0 1000.00 -999 ? >ILE^A 67 49.95 11.63 122.28 50.52 10.95 121.23 50.24 11.29 121.75 3 0 1000.00 -999 ? >MET?A 68 45.91 12.84 123.97 43.84 15.87 125.91 44.88 14.35 124.94 2 0 1000.00 -999 ? >LEU^A 69 42.89 9.26 123.12 41.57 7.81 122.19 42.23 8.53 122.66 3 0 1000.00 -999 ? >LEU.A 70 39.66 13.55 121.11 41.16 15.11 121.21 40.41 14.33 121.16 3 0 1000.00 -999 ? >LEU~B 7 59.69 6.89 141.02 59.09 7.80 139.15 59.39 7.35 140.09 3 0 1000.00 -999 ? >VAL~B 10 54.38 5.96 145.15 55.06 7.89 145.88 54.72 6.92 145.52 3 0 1000.00 -999 ? >LEU~B 11 53.65 5.85 140.37 54.27 7.65 139.29 53.96 6.75 139.83 3 0 1000.00 -999 ? >GLU~B 13 51.42 3.69 147.48 52.71 4.83 148.69 52.06 4.26 148.08 2 0 1000.00 -999 ? >TRP~B 14 50.33 8.46 145.29 52.08 11.71 143.94 51.21 10.08 144.61 3 0 1000.00 -999 ? >LYS~B 15 47.15 4.64 140.69 49.91 0.29 137.72 48.53 2.46 139.20 2 0 1000.00 -999 ? >GLY.B 16 43.42 5.33 140.53 43.92 5.96 140.65 43.67 5.64 140.59 1 0 1000.00 -999 ? >HIS.B 17 44.10 7.84 144.68 43.91 6.30 146.09 44.00 7.07 145.38 3 0 1000.00 -999 ? >LYS^B 18 43.10 12.04 140.79 39.64 17.40 140.17 41.37 14.72 140.48 2 0 1000.00 -999 ? >VAL^B 19 46.50 13.66 140.14 47.54 11.89 139.41 47.02 12.78 139.78 3 0 1000.00 -999 ? >ALA^B 20 47.79 16.96 138.70 47.56 18.29 139.33 47.68 17.63 139.01 2 0 1000.00 -999 ? >VAL^B 21 50.92 17.10 136.52 51.36 15.28 135.40 51.14 16.19 135.96 3 0 1000.00 -999 ? >SER^B 22 53.40 19.72 135.35 54.83 21.67 135.73 54.12 20.70 135.54 2 0 1000.00 -999 ? >GLY.B 24 56.78 22.63 130.57 56.65 22.45 131.37 56.72 22.54 130.97 1 0 1000.00 -999 ? >PHE.B 29 46.41 19.44 130.74 45.99 20.56 128.19 46.20 20.00 129.46 3 0 1000.00 -999 ? >THR^B 30 44.62 17.02 135.77 43.47 17.54 137.59 44.05 17.28 136.68 2 0 1000.00 -999 ? >GLY^B 31 43.10 13.50 135.69 43.71 13.49 136.24 43.40 13.49 135.97 1 0 1000.00 -999 ? >THR^B 32 43.17 9.97 137.13 41.51 8.74 137.75 42.34 9.35 137.44 2 0 1000.00 -999 ? >LEU^B 33 47.56 8.10 138.19 49.58 7.31 137.76 48.57 7.70 137.97 3 0 1000.00 -999 ? >GLU^B 34 43.89 4.08 133.42 43.54 3.92 131.35 43.71 4.00 132.38 2 0 1000.00 -999 ? >ASP^B 35 48.38 2.50 133.54 49.65 0.81 133.65 49.01 1.66 133.60 2 0 1000.00 -999 ? >PHE^B 36 53.10 4.14 136.60 53.76 2.62 138.89 53.43 3.38 137.74 3 0 1000.00 -999 ? >ASP.B 37 55.92 1.71 132.42 56.54 2.55 130.55 56.23 2.13 131.49 2 0 1000.00 -999 ? >VAL^B 40 55.52 7.35 130.38 54.98 6.68 128.36 55.25 7.01 129.37 3 0 1000.00 -999 ? >ILE^B 41 52.36 8.68 133.71 52.69 9.80 134.51 52.52 9.24 134.11 3 0 1000.00 -999 ? >LEU^B 42 48.34 6.13 130.83 46.73 5.72 129.39 47.54 5.93 130.11 3 0 1000.00 -999 ? >LEU^B 43 46.07 11.27 132.60 47.57 12.28 133.77 46.82 11.77 133.19 3 0 1000.00 -999 ? >ASP^B 45 38.46 11.33 133.56 37.29 9.52 133.32 37.87 10.42 133.44 2 0 1000.00 -999 ? >VAL^B 46 41.81 14.51 131.79 43.75 14.75 130.86 42.78 14.63 131.32 3 0 1000.00 -999 ? >VAL.B 49 39.81 24.36 134.58 40.56 26.21 135.60 40.19 25.28 135.09 3 0 1000.00 -999 ? >ILE.B 50 37.81 25.74 130.35 38.35 26.45 129.89 38.08 26.09 130.12 3 0 1000.00 -999 ? >GLY.B 51 36.30 21.55 131.21 37.09 21.52 131.13 36.70 21.54 131.17 1 0 1000.00 -999 ? >ASN^B 52 36.09 17.10 129.44 34.50 17.00 130.83 35.29 17.05 130.13 2 0 1000.00 -999 ? >ARG^B 53 40.43 20.73 127.81 40.16 22.06 125.02 40.29 21.39 126.41 2 0 1000.00 -999 ? >GLY^B 54 40.09 14.25 126.42 40.13 14.18 127.19 40.11 14.22 126.81 1 0 1000.00 -999 ? >GLN^B 56 42.41 7.35 127.95 43.11 5.35 127.76 42.76 6.35 127.86 2 0 1000.00 -999 ? >MET?B 57 46.61 11.25 127.81 47.45 15.15 129.06 47.03 13.20 128.44 2 0 1000.00 -999 ? >LEU^B 58 50.65 9.12 126.32 50.72 7.03 125.93 50.69 8.08 126.12 3 0 1000.00 -999 ? >ILE^B 59 52.56 12.62 130.21 51.98 13.67 130.89 52.27 13.15 130.55 3 0 1000.00 -999 ? >GLY^B 60 56.71 11.16 128.95 56.29 11.70 129.49 56.50 11.43 129.22 1 0 1000.00 -999 ? >LEU.B 61 58.90 10.06 133.10 57.52 9.17 134.56 58.21 9.62 133.83 3 0 1000.00 -999 ? >ILE^B 64 56.90 14.69 134.34 55.62 14.05 134.93 56.26 14.37 134.63 3 0 1000.00 -999 ? >ASN^B 65 57.86 20.07 136.30 58.55 21.15 134.62 58.20 20.61 135.46 2 0 1000.00 -999 ? >TRP^B 66 56.22 20.82 139.68 52.32 20.74 139.76 54.27 20.78 139.72 3 0 1000.00 -999 ? >ILE^B 67 53.34 13.59 139.42 53.39 12.50 138.73 53.37 13.04 139.08 3 0 1000.00 -999 ? >MET?B 68 51.06 15.71 142.53 50.13 19.50 143.76 50.59 17.60 143.15 2 0 1000.00 -999 ? >LEU^B 69 48.65 12.47 145.17 47.12 11.17 145.99 47.88 11.82 145.58 3 0 1000.00 -999 ? >LEU.B 70 44.30 16.28 143.92 44.95 17.64 142.35 44.63 16.96 143.14 3 0 1000.00 -999 ? >LEU~C 7 61.38 7.93 109.70 61.92 10.07 109.61 61.65 9.00 109.66 3 0 1000.00 -999 ? >VAL~C 10 56.88 7.23 104.76 55.56 7.98 106.34 56.22 7.60 105.55 3 0 1000.00 -999 ? >LEU~C 11 60.91 9.87 103.99 61.10 11.61 105.37 61.01 10.74 104.68 3 0 1000.00 -999 ? >GLU~C 13 55.22 5.68 100.52 53.90 5.02 102.04 54.56 5.35 101.28 2 0 1000.00 -999 ? >TRP~C 14 54.68 10.73 102.42 54.71 12.97 105.64 54.70 11.85 104.03 3 0 1000.00 -999 ? >LYS~C 15 59.31 12.01 97.63 64.65 9.10 97.10 61.98 10.56 97.36 2 0 1000.00 -999 ? >GLY.C 16 58.24 14.16 94.69 58.03 14.39 95.45 58.14 14.28 95.07 1 0 1000.00 -999 ? >HIS.C 17 54.06 13.76 96.53 53.81 11.92 95.56 53.93 12.84 96.05 3 0 1000.00 -999 ? >LYS^C 18 55.27 19.35 98.02 55.33 24.55 97.48 55.30 21.95 97.75 2 0 1000.00 -999 ? >VAL^C 19 55.81 19.24 101.83 57.38 17.72 101.85 56.60 18.48 101.84 3 0 1000.00 -999 ? >ALA^C 20 55.97 21.59 104.83 54.76 22.32 105.28 55.36 21.95 105.05 2 0 1000.00 -999 ? >VAL^C 21 58.53 21.63 107.61 60.44 20.75 106.98 59.49 21.19 107.29 3 0 1000.00 -999 ? >SER^C 22 58.83 23.16 111.04 58.13 23.70 113.32 58.48 23.43 112.18 2 0 1000.00 -999 ? >GLY.C 24 63.26 25.13 115.38 62.53 24.86 115.13 62.90 25.00 115.26 1 0 1000.00 -999 ? >PHE.C 29 61.67 27.83 105.09 63.25 30.12 105.48 62.46 28.98 105.29 3 0 1000.00 -999 ? >THR^C 30 57.71 24.63 102.15 55.73 24.95 101.21 56.72 24.79 101.68 2 0 1000.00 -999 ? >GLY^C 31 58.92 22.94 98.94 58.66 22.34 99.48 58.79 22.64 99.21 1 0 1000.00 -999 ? >THR^C 32 59.23 19.59 97.07 58.87 19.21 95.01 59.05 19.40 96.04 2 0 1000.00 -999 ? >LEU^C 33 60.36 15.71 99.73 61.44 14.75 101.35 60.90 15.23 100.54 3 0 1000.00 -999 ? >ASP^C 35 67.05 12.91 98.25 67.45 10.78 98.53 67.25 11.85 98.39 2 0 1000.00 -999 ? >PHE^C 36 64.56 10.67 102.82 63.55 8.11 102.30 64.05 9.39 102.56 3 0 1000.00 -999 ? >ASP.C 37 69.97 9.71 104.20 71.35 11.28 104.70 70.66 10.50 104.45 2 0 1000.00 -999 ? >VAL^C 40 69.24 15.30 106.61 71.09 16.18 105.83 70.17 15.74 106.22 3 0 1000.00 -999 ? >ILE^C 41 65.03 16.07 104.47 63.93 16.35 105.21 64.48 16.21 104.84 3 0 1000.00 -999 ? >LEU^C 42 67.73 17.33 99.81 68.69 18.52 98.29 68.21 17.93 99.05 3 0 1000.00 -999 ? >LEU^C 43 63.34 21.17 100.66 62.12 20.42 102.26 62.73 20.79 101.46 3 0 1000.00 -999 ? >ASP^C 45 61.15 24.33 93.80 62.02 24.12 91.85 61.58 24.23 92.82 2 0 1000.00 -999 ? >VAL^C 46 61.79 26.08 98.37 62.89 25.84 100.21 62.34 25.96 99.29 3 0 1000.00 -999 ? >VAL^C 47 59.12 28.68 98.91 57.40 28.67 97.48 58.26 28.68 98.19 3 0 1000.00 -999 ? >ASP.C 48 58.95 32.53 101.65 59.37 32.93 103.63 59.16 32.73 102.64 2 0 1000.00 -999 ? >VAL.C 49 54.72 32.82 102.05 53.37 33.16 103.78 54.04 32.99 102.91 3 0 1000.00 -999 ? >ILE.C 50 57.24 36.96 101.31 57.33 37.40 102.13 57.29 37.18 101.72 3 0 1000.00 -999 ? >GLY.C 51 57.75 34.28 97.51 57.99 33.88 98.20 57.87 34.08 97.85 1 0 1000.00 -999 ? >ASN^C 52 61.35 32.08 95.10 60.23 31.38 93.47 60.79 31.73 94.28 2 0 1000.00 -999 ? >ARG^C 53 62.73 33.03 100.66 63.72 35.84 101.28 63.22 34.44 100.97 2 0 1000.00 -999 ? >GLY^C 54 66.05 29.46 96.44 65.43 28.96 96.53 65.74 29.21 96.49 1 0 1000.00 -999 ? >GLN^C 56 68.18 22.37 95.32 68.90 20.38 95.04 68.54 21.38 95.18 2 0 1000.00 -999 ? >MET?C 57 67.59 23.43 100.92 65.20 25.48 103.75 66.40 24.46 102.34 2 0 1000.00 -999 ? >LEU^C 58 70.75 20.87 103.39 72.06 19.45 102.47 71.41 20.16 102.93 3 0 1000.00 -999 ? >ILE^C 59 66.29 20.62 106.73 65.14 21.45 106.73 65.72 21.04 106.73 3 0 1000.00 -999 ? >GLY^C 60 69.12 18.10 109.37 68.33 18.47 109.38 68.72 18.28 109.38 1 0 1000.00 -999 ? >LEU.C 61 66.27 14.45 110.81 65.30 13.60 109.06 65.78 14.02 109.94 3 0 1000.00 -999 ? >ILE^C 64 62.94 18.38 111.31 62.75 18.15 109.93 62.84 18.26 110.62 3 0 1000.00 -999 ? >ASN^C 65 58.98 20.62 114.93 60.15 21.98 116.02 59.57 21.30 115.48 2 0 1000.00 -999 ? >TRP^C 66 55.51 20.14 113.81 54.40 22.11 110.62 54.96 21.12 112.21 3 0 1000.00 -999 ? >ILE^C 67 58.10 16.40 107.64 59.28 16.00 107.02 58.69 16.20 107.33 3 0 1000.00 -999 ? >MET?C 68 53.94 17.42 106.51 51.13 20.12 107.87 52.53 18.77 107.19 2 0 1000.00 -999 ? >LEU^C 69 52.35 14.66 102.93 52.33 13.85 100.89 52.34 14.25 101.91 3 0 1000.00 -999 ? >LEU.C 70 50.88 20.04 101.02 51.66 21.48 102.45 51.27 20.76 101.73 3 0 1000.00 -999 ? >LEU~D 7 75.18 16.00 104.72 75.62 17.94 105.61 75.40 16.97 105.17 3 0 1000.00 -999 ? >VAL~D 10 75.06 17.81 98.20 72.96 18.26 98.72 74.01 18.04 98.46 3 0 1000.00 -999 ? >LEU~D 11 78.15 19.96 101.24 77.34 21.07 102.94 77.75 20.51 102.09 3 0 1000.00 -999 ? >GLU~D 13 76.46 17.70 93.94 74.73 16.57 94.59 75.60 17.13 94.27 2 0 1000.00 -999 ? >TRP~D 14 74.08 22.17 96.37 71.80 23.11 99.41 72.94 22.64 97.89 3 0 1000.00 -999 ? >LYS~D 15 80.55 24.05 96.48 85.73 20.90 98.10 83.14 22.47 97.29 2 0 1000.00 -999 ? >GLY.D 16 81.11 27.12 94.25 80.49 27.14 94.80 80.80 27.13 94.52 1 0 1000.00 -999 ? >HIS.D 17 76.63 26.59 93.15 77.03 25.19 91.63 76.83 25.89 92.39 3 0 1000.00 -999 ? >LYS^D 18 76.30 31.32 96.73 73.52 36.95 96.56 74.91 34.13 96.65 2 0 1000.00 -999 ? >VAL^D 19 74.40 29.99 99.80 75.68 28.31 100.31 75.04 29.15 100.05 3 0 1000.00 -999 ? >ALA^D 20 72.51 31.30 102.81 71.14 31.96 102.72 71.83 31.63 102.76 2 0 1000.00 -999 ? >VAL^D 21 72.94 29.80 106.24 74.90 28.82 106.29 73.92 29.31 106.27 3 0 1000.00 -999 ? >SER^D 22 71.01 29.89 109.50 68.83 30.12 110.57 69.92 30.01 110.04 2 0 1000.00 -999 ? >GLY.D 24 70.82 29.59 115.69 70.58 29.65 114.91 70.70 29.62 115.30 1 0 1000.00 -999 ? >PHE.D 29 76.20 36.35 108.44 76.93 38.41 110.22 76.56 37.38 109.33 3 0 1000.00 -999 ? >THR^D 30 75.24 34.70 103.01 74.28 35.30 101.14 74.76 35.00 102.07 2 0 1000.00 -999 ? >GLY^D 31 78.24 34.01 100.76 77.80 33.31 100.83 78.02 33.66 100.79 1 0 1000.00 -999 ? >THR^D 32 79.93 31.52 98.44 80.79 31.83 96.54 80.36 31.67 97.49 2 0 1000.00 -999 ? >LEU^D 33 79.66 26.89 99.96 79.78 25.10 101.26 79.72 26.00 100.61 3 0 1000.00 -999 ? >GLU^D 34 86.83 28.40 99.65 88.11 30.06 100.04 87.47 29.23 99.85 2 0 1000.00 -999 ? >ASP^D 35 86.23 24.09 101.55 86.82 22.13 100.84 86.52 23.11 101.19 2 0 1000.00 -999 ? >PHE^D 36 81.64 20.65 102.98 81.13 18.36 101.42 81.38 19.50 102.20 3 0 1000.00 -999 ? >ASP.D 37 85.37 18.54 106.62 85.93 19.44 108.46 85.65 18.99 107.54 2 0 1000.00 -999 ? >VAL^D 40 82.65 22.95 109.59 84.57 23.70 110.43 83.61 23.33 110.01 3 0 1000.00 -999 ? >ILE^D 41 80.46 25.01 105.85 79.00 25.00 106.03 79.73 25.01 105.94 3 0 1000.00 -999 ? >LEU^D 42 85.27 27.55 104.89 86.91 28.89 104.52 86.09 28.22 104.70 3 0 1000.00 -999 ? >LEU^D 43 81.16 31.48 103.80 79.32 30.42 104.22 80.24 30.95 104.01 3 0 1000.00 -999 ? >ASP^D 45 82.44 36.66 98.48 84.04 37.20 97.19 83.24 36.93 97.83 2 0 1000.00 -999 ? >VAL^D 46 80.37 37.10 102.95 80.28 35.97 104.80 80.33 36.54 103.87 3 0 1000.00 -999 ? >ILE.D 50 74.02 46.76 105.61 73.59 46.89 106.49 73.80 46.82 106.05 3 0 1000.00 -999 ? >GLY.D 51 77.13 45.29 102.64 76.92 44.67 103.12 77.02 44.98 102.88 1 0 1000.00 -999 ? >ARG^D 53 78.86 42.86 107.24 79.39 45.02 109.37 79.12 43.94 108.30 2 0 1000.00 -999 ? >GLY^D 54 84.36 39.50 105.65 83.96 39.32 104.98 84.16 39.41 105.31 1 0 1000.00 -999 ? >GLN^D 56 88.09 33.56 103.70 89.55 31.97 103.69 88.82 32.77 103.69 2 0 1000.00 -999 ? >MET?D 57 83.86 32.84 107.63 80.22 34.00 108.90 82.04 33.42 108.26 2 0 1000.00 -999 ? >LEU^D 58 85.18 29.21 110.42 86.91 28.02 109.85 86.04 28.62 110.13 3 0 1000.00 -999 ? >ILE^D 59 79.61 28.46 110.10 78.65 29.31 109.57 79.13 28.89 109.84 3 0 1000.00 -999 ? >GLY^D 60 80.39 24.73 112.68 79.73 25.18 112.40 80.06 24.95 112.54 1 0 1000.00 -999 ? >LEU.D 61 77.83 20.97 110.93 78.32 20.63 108.83 78.07 20.80 109.88 3 0 1000.00 -999 ? >ASN^D 65 68.84 26.25 111.73 69.38 27.24 113.59 69.11 26.75 112.66 2 0 1000.00 -999 ? >TRP^D 66 66.56 26.81 108.24 67.76 29.76 105.96 67.16 28.28 107.10 3 0 1000.00 -999 ? >ILE^D 67 72.91 24.98 104.15 74.21 24.68 104.29 73.56 24.83 104.22 3 0 1000.00 -999 ? >MET?D 68 70.13 26.97 101.31 66.93 29.46 101.45 68.53 28.21 101.38 2 0 1000.00 -999 ? >LEU^D 69 71.49 26.07 96.88 72.76 25.81 95.16 72.12 25.94 96.02 3 0 1000.00 -999 ? >LEU.D 70 71.29 31.76 96.35 70.50 32.35 98.36 70.90 32.06 97.36 3 0 1000.00 -999 ?