REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 29-AUG-05 2AUW COMPND HYPOTHETICAL PROTEIN NE0471; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; SOURCE 3 ORGANISM_TAXID: 915; SOURCE 4 ATCC: 19718; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR Y.KIM,A.JOACHIMIAK,T.SKARINA,A.SAVCHENKO,A.EDWARDS,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 92 8 HET MSE A 97 8 HET MSE A 117 8 HET MSE B 1 8 HET MSE B 92 8 HET MSE B 97 8 HET MSE B 117 8 HET GOL B1201 6 HET GOL A1202 6 HET FMT B1205 3 SITE 1 AC1 8 LEU A 48 TYR B 4 SER B 119 TYR B 120 SITE 1 AC2 7 ASP A 33 VAL A 34 ASP A 36 ILE A 37 SITE 1 AC3 5 ARG B 39 GLU B 91 ASP B 95 HOH B1360 >TYR.A 4 -4.36 38.96 64.80 -6.02 38.02 66.88 -5.19 38.49 65.84 3 0 22.70 -999 ? C1 GOL A1202 >PHE.A 5 -5.57 40.98 57.58 -7.01 40.96 55.18 -6.28 40.97 56.38 3 0 14.62 -999 ? C1 GOL A1202 >PHE.A 6 -8.70 34.96 59.40 -9.49 32.37 58.71 -9.09 33.66 59.05 3 0 22.47 -999 ? C1 GOL A1202 >PRO.A 7 -9.08 37.84 55.48 -7.25 36.64 56.04 -8.16 37.24 55.76 3 0 17.75 -999 ? C1 GOL A1202 >LYS.A 8 -4.13 35.11 53.40 -2.41 31.89 57.41 -3.27 33.50 55.41 2 0 23.59 -999 ? C1 GOL A1202 >LEU^A 9 -2.58 37.61 49.60 -2.67 38.85 47.84 -2.63 38.23 48.72 3 0 15.56 -999 ? C3 GOL A1202 >THR^A 10 -3.06 33.36 47.61 -4.66 32.08 48.25 -3.86 32.72 47.93 2 0 21.33 -999 ? C3 GOL A1202 >ALA^A 11 -2.95 35.04 44.19 -3.74 34.23 43.13 -3.35 34.64 43.66 2 0 19.38 -999 ? O3 GOL A1202 >VAL^A 12 -2.61 38.47 42.67 -1.39 40.24 43.32 -2.00 39.35 42.99 3 0 14.76 -999 ? O3 GOL A1202 >GLU^A 13 -4.92 38.67 37.74 -5.82 37.34 36.35 -5.37 38.00 37.04 2 0 18.27 -999 ? O3 GOL A1202 >ALA^A 14 -2.52 42.66 37.13 -1.21 43.30 36.65 -1.86 42.98 36.89 2 0 14.02 -999 ? O3 GOL A1202 >LEU.A 15 -6.87 43.73 35.46 -7.90 42.08 36.46 -7.39 42.91 35.96 3 0 13.96 -999 ? O3 GOL A1202 >ALA.A 16 -5.64 46.78 32.85 -6.81 47.22 32.00 -6.22 47.00 32.43 2 0 14.49 -999 ? O3 GOL A1202 >PRO.A 17 -2.23 49.54 32.98 -4.05 49.11 34.20 -3.14 49.33 33.59 3 0 12.55 -999 ? O3 GOL A1202 >TYR.A 18 -2.78 51.88 37.37 -1.09 53.30 35.69 -1.93 52.59 36.53 3 0 9.29 -999 ? O3 GOL B1201 >ARG^A 19 -10.47 46.21 37.59 -12.40 47.23 39.75 -11.43 46.72 38.67 2 0 10.29 -999 ? O3 GOL A1202 >LEU^A 20 -4.82 44.22 41.62 -2.76 44.90 41.85 -3.79 44.56 41.74 3 0 9.71 -999 ? O3 GOL A1202 >ARG^A 21 -9.48 38.55 38.30 -7.90 36.84 36.26 -8.69 37.70 37.28 2 0 18.83 -999 ? O3 GOL A1202 >THR^A 22 -6.74 39.23 44.27 -6.77 41.06 45.44 -6.75 40.15 44.85 2 0 12.33 -999 ? O3 GOL A1202 >THR^A 23 -7.57 35.73 45.48 -7.80 34.10 44.04 -7.68 34.92 44.76 2 0 19.37 -999 ? O3 GOL A1202 >TRP^A 24 -8.80 37.97 48.38 -6.03 39.96 50.34 -7.41 38.96 49.36 3 0 14.52 -999 ? C2 GOL A1202 >SER.A 25 -7.65 31.87 51.57 -7.15 32.72 53.80 -7.40 32.29 52.69 2 0 21.38 -999 ? C1 GOL A1202 >THR.A 26 -11.30 32.63 52.38 -11.31 34.75 52.81 -11.31 33.69 52.60 2 0 19.78 -999 ? C1 GOL A1202 >GLY.A 27 -12.09 31.58 48.77 -12.02 32.38 49.00 -12.05 31.98 48.89 1 0 22.41 -999 ? C2 GOL A1202 >GLU.A 28 -14.00 36.32 49.95 -13.75 37.78 51.44 -13.87 37.05 50.69 2 0 17.46 -999 ? C2 GOL A1202 >VAL^A 29 -11.77 36.63 44.63 -11.39 35.52 42.77 -11.58 36.08 43.70 3 0 18.20 -999 ? O3 GOL A1202 >LEU^A 30 -11.58 40.90 46.28 -12.80 40.45 48.03 -12.19 40.68 47.15 3 0 13.72 -999 ? C2 GOL A1202 >GLU^A 31 -11.82 42.05 40.26 -11.99 42.31 38.18 -11.90 42.18 39.22 2 0 14.31 -999 ? O3 GOL A1202 >VAL^A 32 -9.37 46.47 43.48 -7.80 46.41 45.10 -8.58 46.44 44.29 3 0 7.40 -999 ? O3 GOL A1202 >ASP^A 33 -9.05 50.73 41.26 -8.15 51.94 39.74 -8.60 51.33 40.50 2 0 -5.91 -999 ? O3 GOL A1202s >VAL~A 34 -4.83 50.89 43.11 -3.70 49.01 43.30 -4.27 49.95 43.21 3 0 -4.31 -999 ? O3 GOL A1202s >GLY~A 35 -4.52 53.73 40.58 -4.65 53.79 41.40 -4.59 53.76 40.99 1 0 4.80 -999 ? O3 GOL A1202 >ASP~A 36 -6.47 56.68 43.92 -8.12 57.55 42.90 -7.29 57.12 43.41 2 0 -5.14 -999 ? O3 GOL A1202s >ILE~A 37 -2.62 54.26 46.60 -2.04 53.22 47.43 -2.33 53.74 47.02 3 0 -3.48 -999 ? C3 GOL A1202s >LEU~A 38 0.03 53.81 41.67 0.46 51.68 41.67 0.24 52.75 41.67 3 0 7.23 -999 ? O3 GOL A1202 >ARG~A 39 -3.08 58.87 38.71 -5.35 56.82 38.71 -4.22 57.85 38.71 2 0 7.30 -999 ? O3 GOL A1202 >LYS~A 40 -0.69 59.80 45.09 -4.45 59.91 50.18 -2.57 59.85 47.64 2 0 5.50 -999 ? O1 GOL A1202 >ILE~A 41 2.65 57.20 47.35 2.64 56.45 48.64 2.64 56.83 47.99 3 0 8.64 -999 ? O1 GOL B1201 >PRO~A 42 5.63 61.61 46.26 5.14 59.72 45.14 5.38 60.67 45.70 3 0 4.78 -999 ? O1 GOL B1201 >ASP~A 43 7.95 56.40 47.04 8.39 58.00 48.32 8.17 57.20 47.68 2 0 8.86 -999 ? O1 GOL B1201 >LEU~A 44 4.01 54.26 44.25 3.49 53.13 46.07 3.75 53.69 45.16 3 0 8.88 -999 ? O1 GOL B1201 >ALA~A 45 5.81 56.46 40.40 6.47 57.85 40.19 6.14 57.15 40.30 2 0 3.88 -999 ? C1 GOL B1201 >PRO~A 46 9.70 54.39 40.04 7.68 54.25 39.14 8.69 54.32 39.59 3 0 7.80 -999 ? C3 GOL B1201 >ILE~A 47 4.34 50.93 40.44 4.18 50.04 41.54 4.26 50.49 40.99 3 0 10.03 -999 ? C3 GOL B1201 >LEU~A 48 2.55 55.10 36.99 1.29 56.13 38.39 1.92 55.61 37.69 3 0 -5.05 -999 ? O3 GOL B1201s >ASP~A 49 6.17 52.25 33.77 6.90 51.00 32.18 6.53 51.63 32.98 2 0 11.64 -999 ? O2 GOL B1201 >PRO~A 50 1.52 51.50 31.02 2.66 50.29 32.54 2.09 50.89 31.78 3 0 11.64 -999 ? O3 GOL B1201 >GLU~A 51 6.32 47.18 29.64 7.45 48.49 28.41 6.88 47.83 29.03 2 0 15.79 -999 ? O2 GOL B1201 >ALA~A 52 6.26 47.50 35.58 6.97 48.71 36.19 6.61 48.11 35.89 2 0 12.24 -999 ? C3 GOL B1201 >PHE~A 53 0.17 47.95 37.02 -2.24 47.46 38.35 -1.03 47.71 37.68 3 0 10.61 -999 ? O3 GOL A1202 >ALA~A 54 2.12 44.03 35.02 2.36 43.80 33.51 2.24 43.92 34.26 2 0 17.24 -999 ? O3 GOL A1202 >ARG.A 55 8.75 44.02 36.73 10.80 46.03 35.55 9.78 45.03 36.14 2 0 16.20 -999 ? C3 GOL B1201 >VAL.A 56 2.82 42.46 40.35 0.67 42.66 40.95 1.74 42.56 40.65 3 0 14.07 -999 ? O3 GOL A1202 >HIS^A 57 5.83 39.55 42.71 7.44 40.80 43.16 6.63 40.18 42.93 3 0 18.39 -999 ? C3 GOL A1202 >ILE^A 58 2.26 37.02 46.75 1.26 36.28 47.28 1.76 36.65 47.01 3 0 18.28 -999 ? C3 GOL A1202 >ALA.A 59 6.09 38.98 48.29 6.31 40.22 49.14 6.20 39.60 48.71 2 0 17.99 -999 ? C3 GOL A1202 >GLU.A 60 9.43 34.01 50.01 11.52 33.75 50.16 10.48 33.88 50.08 2 0 26.35 -999 ? C3 GOL A1202 >TRP.A 61 9.24 37.83 56.22 9.70 34.24 57.76 9.47 36.04 56.99 3 0 24.97 -999 ? C1 GOL A1202 >GLU.A 62 7.23 40.82 53.72 8.21 42.54 54.45 7.72 41.68 54.08 2 0 19.11 -999 ? C1 GOL A1202 >GLY.A 63 2.49 38.13 52.09 2.82 38.86 52.11 2.66 38.49 52.10 1 0 18.06 -999 ? C1 GOL A1202 >SER.A 64 2.19 41.63 50.65 4.35 42.64 50.99 3.27 42.14 50.82 2 0 15.37 -999 ? C3 GOL A1202 >VAL^A 65 1.38 42.97 47.16 -0.51 43.50 46.19 0.44 43.24 46.67 3 0 11.82 -999 ? C3 GOL A1202 >GLU^A 66 7.21 43.17 45.87 8.58 41.88 46.77 7.89 42.53 46.32 2 0 18.32 -999 ? C3 GOL A1202 >TRP.A 67 3.99 46.04 40.15 1.34 47.00 42.93 2.67 46.52 41.54 3 0 11.68 -999 ? O3 GOL A1202 >PHE.A 68 10.18 48.12 42.18 9.94 49.04 39.56 10.06 48.58 40.87 3 0 13.46 -999 ? C3 GOL B1201 >ASP.A 69 10.80 46.78 48.03 11.33 46.30 50.04 11.07 46.54 49.04 2 0 18.80 -999 ? C3 GOL A1202 >THR.A 70 6.49 45.13 49.65 7.85 44.64 51.25 7.17 44.88 50.45 2 0 16.82 -999 ? C3 GOL A1202 >GLU.A 71 5.42 49.09 46.32 6.68 47.54 45.58 6.05 48.32 45.95 2 0 13.72 -999 ? C3 GOL A1202 >PHE.A 72 -0.05 48.53 47.95 0.01 50.67 46.14 -0.02 49.60 47.04 3 0 6.84 -999 ? C3 GOL A1202 >GLY~A 73 0.27 45.28 53.09 -0.20 45.49 52.38 0.03 45.38 52.73 1 0 11.40 -999 ? C1 GOL A1202 >ARG~A 74 -2.06 38.92 53.58 -1.37 38.00 56.45 -1.71 38.46 55.01 2 0 17.98 -999 ? C1 GOL A1202 >ASP~A 75 -4.21 44.15 56.47 -2.57 45.46 56.74 -3.39 44.81 56.60 2 0 11.89 -999 ? C1 GOL A1202 >ASN~A 76 -3.63 48.37 53.18 -2.58 48.83 54.99 -3.10 48.60 54.09 2 0 8.60 -999 ? C1 GOL A1202 >VAL~A 77 -5.33 45.83 49.96 -4.09 44.92 48.41 -4.71 45.37 49.18 3 0 8.31 -999 ? C1 GOL A1202 >TYR~A 78 -9.18 41.69 52.67 -11.39 40.03 53.13 -10.29 40.86 52.90 3 0 13.83 -999 ? C1 GOL A1202 >ALA~A 79 -9.85 46.62 52.99 -9.27 47.51 54.09 -9.56 47.06 53.54 2 0 8.46 -999 ? C1 GOL A1202 >TRP~A 80 -7.46 50.56 50.92 -3.86 50.14 49.38 -5.66 50.35 50.15 3 0 -3.49 -999 ? C1 GOL A1202s >ALA~A 81 -11.25 45.93 47.79 -10.66 44.52 47.67 -10.95 45.22 47.73 2 0 9.59 -999 ? C2 GOL A1202 >LYS~A 82 -14.12 45.70 50.28 -15.25 40.65 51.80 -14.69 43.18 51.04 2 0 15.80 -999 ? C2 GOL A1202 >GLU~A 83 -13.33 50.32 52.40 -11.61 51.27 53.17 -12.47 50.80 52.79 2 0 7.11 -999 ? C1 GOL A1202 >GLN~A 84 -12.18 50.59 45.69 -10.40 50.07 44.69 -11.29 50.33 45.19 2 0 5.44 -999 ? O3 GOL A1202 >ALA~A 85 -17.10 47.04 46.43 -16.76 45.57 46.66 -16.93 46.31 46.55 2 0 12.52 -999 ? O2 GOL A1202 >GLY.A 86 -19.42 49.10 48.68 -18.97 48.49 48.96 -19.19 48.79 48.82 1 0 12.79 -999 ? O2 GOL A1202 >GLU.A 87 -19.59 44.64 51.01 -18.92 43.04 49.84 -19.26 43.84 50.42 2 0 16.00 -999 ? C2 GOL A1202 >VAL.A 88 -17.74 47.70 55.29 -18.94 48.43 56.97 -18.34 48.06 56.13 3 0 14.99 -999 ? C1 GOL A1202 >SER~A 89 -14.04 46.86 55.77 -12.71 48.85 55.68 -13.38 47.85 55.73 2 0 10.39 -999 ? C1 GOL A1202 >HIS~A 90 -10.01 44.74 58.23 -8.18 45.05 57.26 -9.10 44.90 57.74 3 0 12.66 -999 ? C1 GOL A1202 >GLU~A 91 -8.24 48.75 57.40 -6.92 49.45 55.90 -7.58 49.10 56.65 2 0 8.14 -999 ? C1 GOL A1202 >MET?A 92 -13.60 51.08 59.03 -15.83 51.33 55.37 -14.72 51.20 57.20 2 0 11.65 -999 ? C1 GOL A1202 >PHE~A 93 -15.34 46.82 63.24 -16.40 45.71 65.59 -15.87 46.27 64.41 3 0 19.59 -999 ? C1 GOL A1202 >GLY~A 94 -11.05 49.40 63.57 -11.57 49.93 63.30 -11.31 49.67 63.44 1 0 15.94 -999 ? O1 GOL A1202 >ASP~A 95 -11.53 53.88 61.71 -9.80 53.91 60.47 -10.67 53.90 61.09 2 0 11.68 -999 ? O1 GOL A1202 >TRP~A 96 -18.02 53.15 65.62 -18.04 49.95 67.89 -18.03 51.55 66.75 3 0 21.20 -999 ? O1 GOL A1202 >MET?A 97 -13.01 51.36 67.79 -12.56 47.08 67.75 -12.79 49.22 67.77 2 0 20.87 -999 ? C1 GOL A1202 >HIS~A 98 -7.96 52.79 66.43 -6.44 51.34 66.32 -7.20 52.06 66.37 3 0 17.29 -999 ? O1 GOL A1202 >ARG~A 99 -14.22 57.25 64.63 -16.04 56.05 62.47 -15.13 56.65 63.55 2 0 16.34 -999 ? O1 GOL A1202 >ASN~A 100 -15.36 55.05 70.18 -16.63 56.11 68.85 -16.00 55.58 69.52 2 0 22.07 -999 ? O1 GOL A1202 >ASN.A 101 -10.85 55.44 73.62 -10.00 57.16 72.68 -10.43 56.30 73.15 2 0 23.74 -999 ? O1 GOL A1202 >LEU.A 102 -14.09 50.66 71.80 -16.08 51.57 71.79 -15.09 51.12 71.80 3 0 24.37 -999 ? O1 GOL A1202 >SER~A 103 -11.42 47.71 73.82 -12.30 46.98 75.96 -11.86 47.34 74.89 2 0 28.39 -999 ? O1 GOL A1202 >LEU~A 104 -11.96 43.05 72.63 -11.12 42.00 70.94 -11.54 42.53 71.79 3 0 25.93 -999 ? C1 GOL A1202 >THR~A 105 -14.76 44.37 75.83 -14.43 43.72 77.90 -14.60 44.04 76.87 2 0 31.67 -999 ? C1 GOL A1202 >THR~A 106 -16.28 47.87 75.57 -14.93 49.35 76.32 -15.60 48.61 75.94 2 0 28.83 -999 ? O1 GOL A1202 >ALA~A 107 -16.87 47.45 71.83 -15.86 47.13 70.74 -16.37 47.29 71.29 2 0 24.64 -999 ? O1 GOL A1202 >ALA~A 108 -18.70 44.18 72.64 -18.08 42.94 73.32 -18.39 43.56 72.98 2 0 29.08 -999 ? C1 GOL A1202 >GLU~A 109 -19.60 47.88 76.61 -19.17 48.76 78.52 -19.39 48.32 77.57 2 0 32.43 -999 ? O1 GOL A1202 >ALA~A 110 -21.38 48.97 72.93 -20.28 49.71 72.19 -20.83 49.34 72.56 2 0 27.23 -999 ? O1 GOL A1202 >LEU~A 111 -21.93 46.20 69.07 -20.87 47.34 67.51 -21.40 46.77 68.29 3 0 25.45 -999 ? C1 GOL A1202 >GLY~A 112 -24.53 43.98 72.14 -23.91 43.87 71.59 -24.22 43.93 71.87 1 0 31.00 -999 ? C1 GOL A1202 >ILE.A 113 -21.95 41.43 69.10 -21.70 42.20 67.88 -21.82 41.81 68.49 3 0 27.56 -999 ? C1 GOL A1202 >SER~A 114 -19.69 38.81 71.90 -18.96 37.06 70.37 -19.33 37.93 71.13 2 0 29.84 -999 ? C1 GOL A1202 >ARG~A 115 -14.56 39.60 75.84 -14.67 39.56 78.88 -14.62 39.58 77.36 2 0 34.12 -999 ? C1 GOL A1202 >ARG~A 116 -13.44 34.58 68.93 -12.85 31.88 70.31 -13.15 33.23 69.62 2 0 31.13 -999 ? C1 GOL A1202 >MET?A 117 -17.41 38.62 67.20 -19.19 36.40 65.53 -18.30 37.51 66.36 2 0 27.09 -999 ? C1 GOL A1202 >VAL~A 118 -15.80 42.01 67.76 -15.95 43.70 69.18 -15.87 42.86 68.47 3 0 24.23 -999 ? C1 GOL A1202 >SER~A 119 -12.37 40.37 67.30 -10.31 39.33 67.95 -11.34 39.85 67.62 2 0 24.09 -999 ? C1 GOL A1202 >TYR~A 120 -14.35 36.30 64.51 -13.60 33.77 65.37 -13.98 35.04 64.94 3 0 25.63 -999 ? C1 GOL A1202 >TYR~A 121 -17.33 41.95 63.03 -19.76 40.57 62.89 -18.54 41.26 62.96 3 0 22.27 -999 ? C1 GOL A1202 >ARG~A 122 -9.24 44.91 66.16 -9.07 45.99 69.05 -9.16 45.45 67.61 2 0 21.70 -999 ? C1 GOL A1202 >THR~A 123 -9.34 41.03 62.10 -9.07 39.63 63.77 -9.20 40.33 62.94 2 0 20.54 -999 ? C1 GOL A1202 >ALA.A 124 -11.40 40.35 58.92 -10.53 40.90 57.74 -10.96 40.62 58.33 2 0 15.96 -999 ? C1 GOL A1202 >HIS.A 125 -11.64 34.83 61.70 -11.26 32.78 61.99 -11.45 33.80 61.84 3 0 24.13 -999 ? C1 GOL A1202 >LYS.A 126 -15.72 37.45 59.44 -21.17 37.68 61.07 -18.45 37.57 60.26 2 0 24.85 -999 ? C1 GOL A1202 >ILE.A 127 -17.75 39.61 55.51 -18.21 38.77 54.44 -17.98 39.19 54.98 3 0 19.40 -999 ? C1 GOL A1202 >ILE.A 128 -18.29 44.16 58.76 -17.66 45.15 59.55 -17.97 44.66 59.16 3 0 17.83 -999 ? C1 GOL A1202 >PRO~A 129 -22.75 40.99 59.81 -22.09 42.60 58.36 -22.42 41.80 59.08 3 0 22.31 -999 ? C1 GOL A1202 >ARG~A 130 -27.51 47.08 54.92 -27.98 50.03 54.15 -27.75 48.55 54.53 2 0 21.75 -999 ? O2 GOL A1202 >THR~A 131 -26.42 45.46 60.43 -27.91 43.99 60.86 -27.17 44.73 60.64 2 0 26.40 -999 ? C1 GOL A1202 >ILE~A 132 -22.12 44.71 62.55 -22.05 44.30 63.95 -22.08 44.50 63.25 3 0 23.10 -999 ? C1 GOL A1202 >TRP~A 133 -21.10 51.26 58.27 -18.06 51.99 60.65 -19.58 51.62 59.46 3 0 16.92 -999 ? O1 GOL A1202 >LEU~A 134 -26.69 50.03 60.69 -27.55 50.51 58.77 -27.12 50.27 59.73 3 0 23.38 -999 ? O2 GOL A1202 >ALA~A 135 -25.12 49.67 64.94 -24.95 48.23 65.49 -25.03 48.95 65.21 2 0 25.45 -999 ? C1 GOL A1202 >CYH~A 136 -21.64 51.20 65.16 -19.69 49.16 64.46 -20.67 50.18 64.81 2 0 20.91 -999 ? O1 GOL A1202 >LEU~A 137 -23.35 54.76 62.26 -21.95 55.00 60.60 -22.65 54.88 61.43 3 0 20.24 -999 ? O1 GOL A1202 >GLY~A 138 -26.19 54.25 65.80 -25.40 54.26 66.01 -25.79 54.26 65.90 1 0 25.74 -999 ? O1 GOL A1202 >TRP~A 139 -23.00 52.23 71.69 -19.54 54.08 71.99 -21.27 53.16 71.84 3 0 27.02 -999 ? O1 GOL A1202 >GLU~A 140 -19.72 56.48 66.95 -18.40 56.88 65.31 -19.06 56.68 66.13 2 0 20.08 -999 ? O1 GOL A1202 >ALA~A 141 -25.27 58.88 67.39 -26.23 58.61 66.23 -25.75 58.75 66.81 2 0 26.30 -999 ? O1 GOL A1202 >THR~A 142 -26.66 58.05 70.87 -27.58 56.12 70.46 -27.12 57.08 70.66 2 0 29.93 -999 ? O1 GOL A1202 >ARG.A 143 -21.79 56.61 72.83 -23.95 54.69 73.86 -22.87 55.65 73.34 2 0 30.15 -999 ? O1 GOL A1202 >PRO.A 144 -24.13 61.13 77.38 -23.68 59.73 75.65 -23.90 60.43 76.52 3 0 32.80 -999 ? O1 GOL A1202 >GLU.A 145 -23.01 53.81 77.43 -20.95 54.29 77.08 -21.98 54.05 77.26 2 0 31.33 -999 ? O1 GOL A1202 >THR.A 146 -28.06 56.63 79.10 -29.97 57.03 78.06 -29.02 56.83 78.58 2 0 37.22 -999 ? O1 GOL A1202 >LYS.A 147 -29.87 54.15 81.41 -32.52 52.99 84.92 -31.20 53.57 83.16 2 0 44.17 -999 ? O1 GOL A1202 >THR.A 148 -31.49 52.52 78.34 -33.47 52.51 79.13 -32.48 52.52 78.74 2 0 40.32 -999 ? O1 GOL A1202 >LEU.A 149 -31.22 52.22 73.44 -29.29 51.35 72.76 -30.26 51.79 73.10 3 0 33.80 -999 ? O1 GOL A1202 >PRO.A 150 -31.62 56.98 72.13 -33.00 55.73 73.40 -32.31 56.36 72.77 3 0 34.95 -999 ? O1 GOL A1202 >ARG.A 151 -39.82 56.33 73.59 -41.54 53.97 74.49 -40.68 55.15 74.04 2 0 43.21 -999 ? O1 GOL A1202 >THR.A 152 -35.46 58.40 68.70 -37.02 59.91 68.94 -36.24 59.15 68.82 2 0 36.69 -999 ? O1 GOL A1202 >LEU.A 153 -31.86 60.34 66.13 -30.76 59.08 64.75 -31.31 59.71 65.44 3 0 30.04 -999 ? O1 GOL A1202 >PRO.A 154 -29.41 61.61 70.48 -31.28 62.40 69.44 -30.34 62.00 69.96 3 0 32.39 -999 ? O1 GOL A1202 >MET?B 1 16.13 54.84 42.35 15.34 58.96 43.35 15.74 56.90 42.85 2 0 10.77 -999 ? C1 GOL B1201 >ASN.B 2 12.96 52.11 39.95 13.74 50.40 40.94 13.35 51.25 40.44 2 0 13.93 -999 ? C1 GOL B1201 >GLU.B 3 13.77 53.38 34.77 15.28 52.27 35.76 14.52 52.82 35.26 2 0 11.22 -999 ? O2 FMT B1205 >TYR.B 4 7.17 57.01 35.82 4.65 57.41 34.67 5.91 57.21 35.24 3 0 -4.65 -999 ? O2 GOL B1201s >PHE.B 5 10.33 59.63 30.12 10.30 61.68 28.17 10.31 60.65 29.15 3 0 9.64 -999 ? O2 GOL B1201 >PHE.B 6 3.98 61.82 32.64 1.33 62.55 31.99 2.66 62.19 32.31 3 0 5.84 -999 ? O2 GOL B1201 >PRO.B 7 7.11 63.19 29.04 5.90 61.31 29.11 6.50 62.25 29.07 3 0 8.46 -999 ? O2 GOL B1201 >LYS.B 8 4.85 58.86 25.66 1.10 55.46 28.70 2.97 57.16 27.18 2 0 10.86 -999 ? O3 GOL B1201 >LEU^B 9 7.68 58.74 21.73 8.79 59.52 20.00 8.24 59.13 20.86 3 0 16.92 -999 ? O2 GOL B1201 >THR^B 10 3.29 59.33 19.92 1.99 60.66 21.06 2.64 59.99 20.49 2 0 16.71 -999 ? O2 GOL B1201 >ALA^B 11 4.82 60.38 16.56 3.85 61.38 15.86 4.34 60.88 16.21 2 0 21.60 -999 ? O2 GOL B1201 >VAL^B 12 8.26 60.96 15.01 10.15 59.75 15.07 9.20 60.35 15.04 3 0 20.63 -999 ? O2 FMT B1205 >GLU^B 13 6.53 63.28 11.67 5.35 64.97 11.27 5.94 64.13 11.47 2 0 26.21 -999 ? C FMT B1205 >ALA^B 14 12.24 63.10 9.80 12.91 62.07 8.90 12.57 62.58 9.35 2 0 24.09 -999 ? C FMT B1205 >LEU.B 15 12.58 67.93 9.57 10.78 68.56 10.69 11.68 68.24 10.13 3 0 24.42 -999 ? C FMT B1205 >ALA.B 16 15.58 67.98 6.59 15.80 69.41 6.14 15.69 68.69 6.37 2 0 27.00 -999 ? C FMT B1205 >PRO.B 17 18.87 65.20 5.66 18.21 66.41 7.45 18.54 65.81 6.55 3 0 25.26 -999 ? C FMT B1205 >TYR.B 18 21.44 64.71 10.16 23.09 63.86 8.06 22.27 64.29 9.11 3 0 22.27 -999 ? C FMT B1205 >ARG^B 19 16.28 71.07 11.77 15.58 72.37 14.48 15.93 71.72 13.12 2 0 20.96 -999 ? C FMT B1205 >LEU^B 20 13.50 64.14 14.65 14.58 62.30 14.27 14.04 63.22 14.46 3 0 18.62 -999 ? C FMT B1205 >ARG^B 21 6.43 68.10 13.63 7.49 70.82 12.66 6.96 69.46 13.14 2 0 25.34 -999 ? C FMT B1205 >THR^B 22 8.49 64.51 17.87 10.35 64.47 18.98 9.42 64.49 18.42 2 0 17.13 -999 ? O2 FMT B1205 >THR^B 23 4.92 64.42 19.21 3.21 64.87 17.95 4.07 64.65 18.58 2 0 19.90 -999 ? O2 GOL B1201 >TRP^B 24 7.03 65.15 22.30 9.53 62.24 23.30 8.28 63.69 22.80 3 0 15.08 -999 ? O2 GOL B1201 >SER.B 25 1.24 62.28 24.97 2.19 61.19 26.88 1.72 61.74 25.93 2 0 10.99 -999 ? O2 GOL B1201 >THR.B 26 1.71 65.64 26.79 3.83 65.84 27.13 2.77 65.74 26.96 2 0 11.34 -999 ? O2 GOL B1201 >GLY.B 27 0.40 67.43 23.69 1.20 67.30 23.82 0.80 67.36 23.76 1 0 15.83 -999 ? O2 GOL B1201 >GLU.B 28 4.89 69.50 25.24 6.39 68.90 26.59 5.64 69.20 25.91 2 0 13.25 -999 ? O2 GOL B1201 >VAL^B 29 5.32 68.87 19.47 4.12 68.84 17.64 4.72 68.86 18.55 3 0 20.32 -999 ? O2 GOL B1201 >LEU^B 30 9.66 68.79 21.11 9.03 69.28 23.10 9.34 69.03 22.10 3 0 17.24 -999 ? O2 FMT B1205 >GLU^B 31 10.59 70.55 15.18 10.65 71.99 13.60 10.62 71.27 14.39 2 0 23.43 -999 ? C FMT B1205 >VAL^B 32 15.34 68.18 17.87 15.59 66.28 18.99 15.46 67.23 18.43 3 0 15.46 -999 ? C FMT B1205 >ASP.B 33 19.47 69.13 15.63 18.58 70.39 14.18 19.02 69.76 14.91 2 0 19.51 -999 ? C FMT B1205 >VAL~B 34 20.35 64.50 16.24 18.69 63.06 16.06 19.52 63.78 16.15 3 0 15.43 -999 ? C FMT B1205 >GLY~B 35 23.16 65.20 13.69 23.23 65.16 14.51 23.20 65.18 14.10 1 0 17.94 -999 ? C FMT B1205 >ASP~B 36 25.97 66.83 17.39 27.79 66.74 18.53 26.88 66.78 17.96 2 0 14.74 -999 ? O1 FMT B1205 >ILE~B 37 23.95 62.21 19.23 24.02 61.43 19.65 23.98 61.82 19.44 3 0 11.93 -999 ? C FMT B1205 >LEU~B 38 23.99 60.72 13.84 21.94 60.04 13.50 22.96 60.38 13.67 3 0 17.59 -999 ? C FMT B1205 >ARG~B 39 28.52 65.17 12.12 26.03 66.96 12.23 27.28 66.06 12.18 2 0 -20.14 -999 ? C FMT B1205s >LYS~B 40 29.88 60.83 17.30 31.00 65.61 18.17 30.44 63.22 17.73 2 0 16.08 -999 ? O1 FMT B1205 >ILE~B 41 27.56 56.72 17.89 26.72 56.23 18.95 27.14 56.48 18.42 3 0 14.65 -999 ? C FMT B1205 >PRO~B 42 32.74 55.48 15.78 30.56 55.55 15.14 31.65 55.51 15.46 3 0 19.40 -999 ? C FMT B1205 >ASP~B 43 27.62 51.72 15.72 28.90 50.11 16.21 28.26 50.91 15.97 2 0 20.04 -999 ? C FMT B1205 >LEU~B 44 24.83 56.12 14.58 23.56 55.34 16.19 24.19 55.73 15.38 3 0 16.97 -999 ? C FMT B1205 >ALA~B 45 27.19 56.35 10.36 28.63 56.01 9.96 27.91 56.18 10.16 2 0 22.91 -999 ? C FMT B1205 >PRO~B 46 25.52 52.58 8.73 25.23 54.78 8.47 25.38 53.68 8.60 3 0 24.14 -999 ? C FMT B1205 >ILE~B 47 21.46 56.92 10.86 20.64 56.53 11.86 21.05 56.73 11.36 3 0 20.42 -999 ? C FMT B1205 >LEU~B 48 25.39 60.21 8.32 26.37 61.14 10.04 25.88 60.67 9.18 3 0 22.37 -999 ? C FMT B1205 >ASP~B 49 22.68 57.64 4.00 22.23 57.55 1.90 22.46 57.60 2.95 2 0 29.56 -999 ? C FMT B1205 >PRO~B 50 21.30 62.68 2.64 20.36 61.00 3.84 20.83 61.84 3.24 3 0 27.98 -999 ? C FMT B1205 >GLU~B 51 18.15 56.25 1.17 20.24 56.03 1.13 19.20 56.14 1.15 2 0 30.61 -999 ? C FMT B1205 >ALA~B 52 18.41 56.24 5.56 19.77 55.68 5.95 19.09 55.96 5.75 2 0 26.01 -999 ? C FMT B1205 >PHE~B 53 17.81 61.49 8.94 16.86 63.28 10.85 17.34 62.39 9.90 3 0 21.83 -999 ? C FMT B1205 >ALA~B 54 14.23 59.62 6.33 14.05 59.83 4.80 14.14 59.73 5.57 2 0 27.62 -999 ? C FMT B1205 >ARG.B 55 13.95 52.30 7.50 15.21 50.58 5.28 14.58 51.44 6.39 2 0 28.93 -999 ? C FMT B1205 >VAL.B 56 12.99 57.12 11.23 12.76 59.02 12.35 12.88 58.07 11.79 3 0 21.72 -999 ? C FMT B1205 >HIS^B 57 10.61 53.22 12.32 12.15 51.79 12.23 11.38 52.51 12.28 3 0 23.49 -999 ? C FMT B1205 >ILE^B 58 7.62 54.82 17.28 6.80 55.49 18.26 7.21 55.15 17.77 3 0 20.65 -999 ? O2 GOL B1201 >ALA.B 59 10.51 51.01 17.42 11.73 50.73 18.32 11.12 50.87 17.87 2 0 19.44 -999 ? O2 FMT B1205 >GLU.B 60 6.68 45.98 17.10 6.73 44.01 16.29 6.71 44.99 16.70 2 0 27.20 -999 ? O2 FMT B1205 >TRP.B 61 6.34 45.87 24.02 10.05 45.24 25.25 8.19 45.55 24.63 3 0 20.47 -999 ? O2 GOL B1201 >GLU.B 62 12.85 48.61 23.17 13.80 50.47 22.88 13.32 49.54 23.03 2 0 15.69 -999 ? O2 FMT B1205 >GLY.B 63 9.30 52.53 21.80 10.06 52.40 21.62 9.68 52.46 21.71 1 0 17.70 -999 ? O2 FMT B1205 >SER.B 64 12.68 54.16 20.99 14.24 53.06 22.52 13.46 53.61 21.76 2 0 14.08 -999 ? O2 FMT B1205 >VAL^B 65 13.35 56.46 18.05 13.52 58.64 17.75 13.44 57.55 17.90 3 0 16.30 -999 ? C FMT B1205 >GLU^B 66 14.63 51.51 14.93 13.75 49.68 15.40 14.19 50.59 15.16 2 0 21.33 -999 ? O2 FMT B1205 >TRP.B 67 16.71 57.04 10.72 17.35 58.51 14.31 17.03 57.78 12.52 3 0 19.69 -999 ? C FMT B1205 >PHE.B 68 19.36 50.83 10.20 19.91 52.24 7.83 19.63 51.54 9.02 3 0 24.42 -999 ? C FMT B1205 >ASP.B 69 19.04 48.24 15.80 18.90 46.99 17.50 18.97 47.62 16.65 2 0 20.19 -999 ? C FMT B1205 >THR.B 70 16.45 51.08 18.76 16.28 49.16 19.78 16.36 50.12 19.27 2 0 17.64 -999 ? O2 FMT B1205 >GLU.B 71 20.08 53.69 16.07 18.61 52.70 14.89 19.34 53.19 15.48 2 0 18.83 -999 ? C FMT B1205 >PHE.B 72 18.92 58.30 19.42 21.08 58.98 17.78 20.00 58.64 18.60 3 0 13.07 -999 ? C FMT B1205 >GLY~B 73 15.65 56.07 23.97 15.76 56.73 23.46 15.70 56.40 23.72 1 0 10.82 -999 ? O2 FMT B1205 >ARG~B 74 9.10 56.96 25.08 8.32 55.87 27.86 8.71 56.41 26.47 2 0 11.36 -999 ? O2 GOL B1201 >ASP~B 75 13.64 59.03 28.62 15.19 57.54 28.60 14.42 58.29 28.61 2 0 7.61 -999 ? O2 FMT B1205 >ASN~B 76 18.08 60.04 25.54 18.51 58.47 26.90 18.29 59.26 26.22 2 0 6.17 -999 ? O2 FMT B1205 >VAL~B 77 15.35 62.34 22.83 14.79 61.65 20.85 15.07 61.99 21.84 3 0 11.67 -999 ? C FMT B1205 >TYR~B 78 10.83 64.58 26.46 8.89 66.28 27.51 9.86 65.43 26.98 3 0 12.07 -999 ? O2 GOL B1201 >ALA~B 79 15.69 65.68 27.11 16.66 64.84 27.93 16.18 65.26 27.52 2 0 7.04 -999 ? O2 FMT B1205 >TRP~B 80 19.64 64.57 24.63 20.02 61.57 22.12 19.83 63.07 23.37 3 0 8.28 -999 ? C FMT B1205 >ALA~B 81 14.70 68.48 22.57 13.33 67.83 22.28 14.02 68.15 22.42 2 0 13.97 -999 ? C FMT B1205 >LYS~B 82 14.26 70.48 25.79 9.43 70.22 27.88 11.85 70.35 26.84 2 0 13.66 -999 ? O2 GOL B1201 >GLU~B 83 18.91 69.52 27.76 19.99 67.72 27.94 19.45 68.62 27.85 2 0 7.32 -999 ? C FMT B1205 >GLN~B 84 19.20 70.52 21.08 18.91 69.22 19.43 19.05 69.87 20.25 2 0 14.42 -999 ? C FMT B1205 >ALA~B 85 15.36 74.85 23.15 13.90 74.44 23.24 14.63 74.65 23.19 2 0 17.24 -999 ? C FMT B1205 >GLY.B 86 17.31 76.29 26.10 16.69 75.80 26.19 17.00 76.05 26.14 1 0 16.31 -999 ? O1 FMT B1205 >GLU.B 87 12.82 75.31 27.65 11.24 74.67 26.46 12.03 74.99 27.06 2 0 17.66 -999 ? O2 FMT B1205 >VAL.B 88 15.96 72.57 31.70 16.39 73.28 33.71 16.17 72.93 32.70 3 0 12.87 -999 ? O2 FMT B1205 >SER~B 89 15.53 68.84 31.06 17.69 67.85 30.65 16.61 68.34 30.86 2 0 7.69 -999 ? O2 FMT B1205 >HIS~B 90 13.69 64.10 32.27 14.11 62.79 30.69 13.90 63.45 31.48 3 0 7.58 -999 ? O2 FMT B1205 >GLU~B 91 17.78 63.00 30.90 18.65 62.21 29.14 18.22 62.60 30.02 2 0 -3.85 -999 ? O2 FMT B1205s >MET?B 92 19.80 67.75 33.99 19.70 70.99 31.21 19.75 69.37 32.60 2 0 9.54 -999 ? O1 FMT B1205 >PHE~B 93 15.51 67.91 38.50 14.38 68.20 41.08 14.94 68.06 39.79 3 0 11.44 -999 ? C1 GOL B1201 >GLY~B 94 18.19 63.83 37.61 18.75 64.43 37.47 18.47 64.13 37.54 1 0 6.99 -999 ? O2 FMT B1205 >ASP~B 95 22.62 64.95 35.86 22.62 63.71 34.13 22.62 64.33 34.99 2 0 -3.00 -999 ? O1 FMT B1205s >TRP~B 96 22.03 69.90 41.61 18.75 69.26 43.71 20.39 69.58 42.66 3 0 13.58 -999 ? O1 FMT B1205 >MET?B 97 20.22 64.53 42.19 15.96 63.86 41.93 18.09 64.20 42.06 2 0 10.89 -999 ? C1 GOL B1201 >HIS~B 98 23.41 59.72 39.91 24.63 58.00 39.98 24.02 58.86 39.94 3 0 8.85 -999 ? O2 FMT B1205 >ARG~B 99 26.23 66.83 39.43 24.71 69.01 37.94 25.47 67.92 38.69 2 0 9.52 -999 ? O1 FMT B1205 >ASN~B 100 24.00 66.21 45.08 25.05 67.76 44.14 24.52 66.99 44.61 2 0 13.88 -999 ? O1 FMT B1205 >ASN.B 101 24.57 61.05 47.10 24.13 59.16 47.94 24.35 60.11 47.52 2 0 16.45 -999 ? O2 FMT B1205 >LEU.B 102 19.59 64.39 46.18 20.46 66.26 46.89 20.02 65.32 46.54 3 0 15.30 -999 ? O2 FMT B1205 >SER~B 103 16.68 61.15 47.24 16.09 61.16 49.61 16.38 61.16 48.42 2 0 14.21 -999 ? O1 GOL B1201 >LEU~B 104 11.85 61.81 46.75 10.92 61.24 44.85 11.38 61.52 45.80 3 0 8.16 -999 ? O1 GOL B1201 >THR~B 105 13.42 63.56 50.55 13.03 62.55 52.44 13.23 63.06 51.50 2 0 14.13 -999 ? O1 GOL B1201 >THR~B 106 16.86 65.20 50.54 18.36 63.62 50.82 17.61 64.41 50.68 2 0 16.88 -999 ? O1 GOL B1201 >ALA~B 107 16.24 66.91 47.14 15.97 66.27 45.76 16.10 66.59 46.45 2 0 12.91 -999 ? C1 GOL B1201 >ALA~B 108 12.94 68.33 48.44 11.71 67.52 48.91 12.32 67.92 48.67 2 0 12.11 -999 ? O1 GOL B1201 >GLU~B 109 16.38 67.98 52.62 17.11 67.05 54.39 16.74 67.52 53.50 2 0 19.02 -999 ? O1 GOL B1201 >ALA~B 110 17.56 70.93 49.57 18.33 70.15 48.53 17.94 70.54 49.05 2 0 17.70 -999 ? C1 GOL B1201 >LEU~B 111 14.73 72.50 46.01 15.81 71.85 44.22 15.27 72.17 45.11 3 0 15.34 -999 ? C1 GOL B1201 >GLY~B 112 12.49 73.82 49.73 12.44 73.47 49.00 12.47 73.64 49.36 1 0 16.96 -999 ? O1 GOL B1201 >ILE.B 113 9.97 72.17 46.03 10.80 72.26 44.78 10.38 72.22 45.40 3 0 12.88 -999 ? O1 GOL B1201 >SER~B 114 7.59 69.07 48.04 5.81 68.78 46.41 6.70 68.93 47.22 2 0 9.13 -999 ? O1 GOL B1201 >ARG~B 115 9.07 63.22 50.55 9.21 60.38 49.34 9.14 61.80 49.94 2 0 9.49 -999 ? O1 GOL B1201 >ARG~B 116 2.13 65.81 44.17 0.63 63.26 43.28 1.38 64.54 43.72 2 0 5.04 -999 ? O1 GOL B1201 >MET?B 117 7.25 68.18 42.94 5.65 70.63 41.35 6.45 69.40 42.14 2 0 9.17 -999 ? C1 GOL B1201 >VAL~B 118 10.76 66.70 42.95 12.42 66.48 44.39 11.59 66.59 43.67 3 0 8.76 -999 ? C1 GOL B1201 >SER~B 119 9.25 63.50 41.49 7.86 61.55 41.36 8.55 62.53 41.43 2 0 -2.80 -999 ? C1 GOL B1201s >TYR~B 120 4.75 65.88 39.21 2.17 64.74 39.35 3.46 65.31 39.28 3 0 -4.11 -999 ? C2 GOL B1201s >TYR~B 121 10.47 69.51 38.89 9.17 71.91 39.63 9.82 70.71 39.26 3 0 10.11 -999 ? C1 GOL B1201 >ARG~B 122 13.63 61.29 40.35 13.32 58.39 39.29 13.47 59.84 39.82 2 0 8.45 -999 ? C1 GOL B1201 >THR~B 123 9.97 62.02 35.75 8.66 61.38 37.29 9.32 61.70 36.52 2 0 -3.28 -999 ? O2 GOL B1201s >ALA.B 124 9.20 64.83 33.18 9.77 64.28 31.83 9.49 64.55 32.50 2 0 7.69 -999 ? O2 GOL B1201 >HIS.B 125 3.67 63.82 35.71 1.62 63.37 35.58 2.65 63.59 35.64 3 0 -3.92 -999 ? O3 GOL B1201s >LYS.B 126 5.97 68.80 34.88 3.93 73.43 38.61 4.95 71.12 36.75 2 0 12.01 -999 ? C1 GOL B1201 >ILE.B 127 8.02 72.11 31.80 7.85 72.95 31.57 7.94 72.53 31.68 3 0 12.86 -999 ? O2 GOL B1201 >ILE.B 128 12.44 71.68 35.31 13.35 70.77 35.96 12.90 71.23 35.63 3 0 12.58 -999 ? O2 GOL B1201 >PRO~B 129 9.36 75.82 37.42 10.96 75.52 35.80 10.16 75.67 36.61 3 0 15.17 -999 ? O2 GOL B1201 >ARG~B 130 15.38 81.87 34.00 18.18 82.78 33.16 16.78 82.32 33.58 2 0 21.33 -999 ? O1 FMT B1205 >THR~B 131 13.92 79.32 39.00 12.49 80.67 39.88 13.20 80.00 39.44 2 0 20.32 -999 ? C1 GOL B1201 >ILE~B 132 13.07 74.53 39.82 12.77 73.97 41.13 12.92 74.25 40.48 3 0 14.69 -999 ? C1 GOL B1201 >TRP~B 133 19.67 74.93 35.44 20.63 71.37 36.85 20.15 73.15 36.15 3 0 12.30 -999 ? O1 FMT B1205 >LEU~B 134 18.47 79.49 39.23 18.93 80.87 37.61 18.70 80.18 38.42 3 0 19.82 -999 ? O1 FMT B1205 >ALA~B 135 18.05 76.80 42.91 16.63 76.54 43.47 17.34 76.67 43.19 2 0 18.99 -999 ? C1 GOL B1201 >CYH~B 136 19.68 73.40 42.15 17.71 71.74 40.97 18.70 72.57 41.56 2 0 14.43 -999 ? O2 FMT B1205 >LEU~B 137 23.09 75.98 39.82 23.45 75.00 37.89 23.27 75.49 38.85 3 0 15.24 -999 ? O1 FMT B1205 >GLY~B 138 22.76 77.59 44.11 22.72 76.77 44.11 22.74 77.18 44.11 1 0 19.91 -999 ? O1 FMT B1205 >TRP~B 139 20.89 72.79 48.96 22.82 69.50 47.92 21.85 71.15 48.44 3 0 19.12 -999 ? O1 FMT B1205 >GLU~B 140 24.98 71.18 43.19 25.65 70.45 41.34 25.32 70.82 42.26 2 0 13.08 -999 ? O1 FMT B1205 >ALA~B 141 27.40 76.16 45.28 27.09 77.45 44.56 27.25 76.81 44.92 2 0 20.49 -999 ? O1 FMT B1205 >THR~B 142 26.70 76.56 49.00 24.92 77.76 48.84 25.81 77.16 48.92 2 0 23.35 -999 ? O1 FMT B1205 >ARG~B 143 27.17 69.85 48.40 28.36 69.60 45.56 27.77 69.72 46.98 2 0 16.69 -999 ? O1 FMT B1205 >PRO.B 144 22.34 74.59 52.31 24.50 74.12 52.72 23.42 74.36 52.52 3 0 24.22 -999 ? O1 FMT B1205 >GLU.B 145 27.88 71.53 56.04 27.42 69.57 55.33 27.65 70.55 55.68 2 0 25.22 -999 ? O1 FMT B1205 >THR.B 146 22.67 73.92 58.31 22.80 75.97 59.06 22.74 74.94 58.68 2 0 29.33 -999 ? O1 GOL B1201 >LYS.B 147 19.14 74.84 57.22 14.27 77.61 58.71 16.70 76.22 57.96 2 0 25.75 -999 ? O1 GOL B1201 >THR.B 148 20.22 78.53 57.12 21.08 79.34 58.97 20.65 78.93 58.04 2 0 30.12 -999 ? O1 GOL B1201 >LEU.B 149 20.63 79.91 52.61 19.40 78.27 51.70 20.02 79.09 52.16 3 0 25.82 -999 ? O1 GOL B1201 >PRO.B 150 25.39 80.65 51.81 24.09 81.62 53.34 24.74 81.14 52.58 3 0 28.37 -999 ? O1 FMT B1205 >ARG.B 151 24.72 88.46 55.14 22.33 90.40 55.14 23.52 89.43 55.14 2 0 36.66 -999 ? O1 GOL B1201 >THR.B 152 26.90 85.24 49.49 28.29 86.71 50.32 27.59 85.97 49.91 2 0 31.37 -999 ? O1 FMT B1205 >LEU.B 153 28.92 82.50 46.04 27.55 82.10 44.38 28.24 82.30 45.21 3 0 24.91 -999 ? O1 FMT B1205 >PRO.B 154 30.50 78.83 49.17 31.10 80.97 48.80 30.80 79.90 48.98 3 0 26.06 -999 ? O1 FMT B1205 >ALA.B 155 35.15 82.17 47.91 36.25 82.76 48.78 35.70 82.46 48.35 2 0 29.95 -999 ? O1 FMT B1205