REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAY-05 2CS7 COMPND PNEUMOCOCCAL HISTIDINE TRIAD A PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN DOMAIN COMPND 5 (RESIDUES 166-220); COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 1313; SOURCE 4 GENE: PHTA (18-220); SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE10 AUTHOR A.RIBOLDI-TUNNICLIFFE,N.W.ISAACS,T.J.MITCHELL HET ZN A 201 1 HET ZN B 202 1 HET ZN C 203 1 SITE 1 AC1 4 ASP A 7 HIS A 28 HIS A 31 HIS A 33 SITE 1 AC2 4 ASP B 7 HIS B 28 HIS B 31 HIS B 33 SITE 1 AC3 4 ASP C 7 HIS C 28 HIS C 31 HIS C 33 >GLY.A 1 18.27 27.09 8.70 17.75 26.52 8.48 18.01 26.81 8.59 1 0 18.62 -999 ? ZN ZN A 201 >ARG.A 2 22.41 22.67 7.80 22.70 23.94 5.02 22.55 23.31 6.41 2 0 18.66 -999 ? ZN ZN A 201 >TYR.A 3 18.65 21.40 15.82 18.86 21.09 18.58 18.76 21.25 17.20 3 0 10.12 -999 ? ZN ZN A 201 >THR.A 4 22.77 23.19 15.83 23.50 24.92 14.72 23.13 24.05 15.27 2 0 11.18 -999 ? ZN ZN A 201 >THR.A 5 23.93 22.95 19.41 23.97 20.83 19.69 23.95 21.89 19.55 2 0 5.23 -999 ? ZN ZN A 201 >ASP.A 6 26.45 25.72 22.77 24.76 26.13 23.71 25.61 25.92 23.24 2 0 7.28 -999 ? ZN ZN C 203 >ASP.A 7 28.46 20.59 22.66 27.05 19.11 22.18 27.76 19.85 22.42 2 0 -2.30 -999 ? ZN ZN A 201s >GLY.A 8 28.99 21.51 17.87 28.37 21.13 18.14 28.68 21.32 18.00 1 0 6.55 -999 ? ZN ZN A 201 >TYR.A 9 24.48 17.35 16.79 22.99 15.68 15.09 23.74 16.51 15.94 3 0 6.58 -999 ? ZN ZN A 201 >ILE.A 10 25.37 20.42 12.19 25.87 21.66 11.42 25.62 21.04 11.80 3 0 10.91 -999 ? ZN ZN A 201 >PHE.A 11 18.96 17.46 12.25 16.97 15.64 11.62 17.97 16.55 11.93 3 0 13.16 -999 ? ZN ZN A 201 >ASN~A 12 23.14 14.50 9.85 23.40 13.14 8.26 23.27 13.82 9.05 2 0 14.45 -999 ? ZN ZN A 201 >ALA~A 13 18.59 13.06 9.52 17.60 13.18 8.37 18.10 13.12 8.94 2 0 16.63 -999 ? ZN ZN A 201 >SER~A 14 20.50 9.80 9.15 22.54 10.06 7.97 21.52 9.93 8.56 2 0 15.98 -999 ? ZN ZN A 201 >ASP~A 15 22.29 11.46 13.40 24.05 12.20 12.51 23.17 11.83 12.96 2 0 10.75 -999 ? ZN ZN A 201 >ILE~A 16 16.90 10.06 13.58 15.78 10.86 13.45 16.34 10.46 13.52 3 0 14.70 -999 ? ZN ZN A 201 >ILE.A 17 19.19 6.24 17.39 20.35 6.48 18.15 19.77 6.36 17.77 3 0 13.19 -999 ? ZN ZN A 201 >GLU^A 18 13.65 6.72 20.44 14.18 6.28 22.48 13.91 6.50 21.46 2 0 16.36 -999 ? ZN ZN A 201 >ASP^A 19 10.76 8.73 16.13 9.14 9.95 15.55 9.95 9.34 15.84 2 0 19.83 -999 ? ZN ZN A 201 >THR.A 20 9.34 10.07 20.52 10.36 11.61 21.60 9.85 10.84 21.06 2 0 17.10 -999 ? ZN ZN A 201 >GLY.A 21 6.52 11.52 18.43 7.20 11.95 18.59 6.86 11.73 18.51 1 0 21.08 -999 ? ZN ZN A 201 >ASP.A 22 6.91 15.78 20.42 5.20 14.83 21.25 6.06 15.31 20.83 2 0 21.14 -999 ? ZN ZN C 203 >ALA^A 23 11.37 14.87 19.17 11.83 15.09 20.60 11.60 14.98 19.88 2 0 14.95 -999 ? ZN ZN A 201 >TYR^A 24 13.53 13.19 15.22 11.46 13.08 13.36 12.50 13.14 14.29 3 0 16.45 -999 ? ZN ZN A 201 >ILE^A 25 16.96 10.11 20.32 16.87 10.69 21.58 16.92 10.40 20.95 3 0 11.71 -999 ? ZN ZN A 201 >VAL^A 26 20.67 11.37 17.89 20.59 13.30 16.84 20.63 12.33 17.37 3 0 8.75 -999 ? ZN ZN A 201 >PRO^A 27 24.23 8.79 17.32 23.45 10.28 18.82 23.84 9.54 18.07 3 0 8.71 -999 ? ZN ZN A 201 >HIS^A 28 27.31 15.27 19.31 28.62 16.85 18.95 27.96 16.06 19.13 3 0 -3.13 -999 ? ZN ZN A 201s >GLY.A 29 30.33 12.03 20.92 29.63 11.58 20.93 29.98 11.80 20.92 1 0 6.17 -999 ? ZN ZN A 201 >ASP.A 30 30.85 10.19 25.35 30.51 11.87 26.61 30.68 11.03 25.98 2 0 7.94 -999 ? ZN ZN A 201 >HIS^A 31 26.80 13.65 24.55 27.58 15.21 23.35 27.19 14.43 23.95 3 0 -3.28 -999 ? ZN ZN A 201s >TYR^A 32 22.46 9.33 23.27 23.56 6.79 23.30 23.01 8.06 23.28 3 0 9.64 -999 ? ZN ZN A 201 >HIS^A 33 22.51 16.48 21.33 24.22 17.45 22.06 23.37 16.96 21.69 3 0 -3.26 -999 ? ZN ZN A 201s >TYR^A 34 14.85 15.44 23.57 12.14 16.03 23.94 13.50 15.74 23.75 3 0 12.54 -999 ? ZN ZN C 203 >ILE^A 35 16.63 17.22 18.06 17.65 17.57 17.06 17.14 17.40 17.56 3 0 10.42 -999 ? ZN ZN A 201 >PRO^A 36 13.17 20.13 21.39 13.09 18.75 19.64 13.13 19.44 20.52 3 0 13.44 -999 ? ZN ZN C 203 >LYS.A 37 10.59 18.75 16.20 6.84 14.58 14.34 8.71 16.67 15.27 2 0 21.28 -999 ? ZN ZN A 201 >ASN~A 38 8.60 22.92 17.90 9.39 23.07 19.87 8.99 23.00 18.89 2 0 17.50 -999 ? ZN ZN C 203 >GLU~A 39 13.61 23.81 18.86 14.90 23.75 20.55 14.25 23.78 19.70 2 0 12.63 -999 ? ZN ZN C 203 >LEU~A 40 13.44 20.17 12.84 14.81 18.63 13.61 14.13 19.40 13.22 3 0 15.39 -999 ? ZN ZN A 201 >SER~A 41 13.15 23.28 9.60 14.87 22.62 8.04 14.01 22.95 8.82 2 0 19.02 -999 ? ZN ZN A 201 >ALA~A 42 10.72 22.04 6.96 10.03 22.92 5.89 10.37 22.48 6.42 2 0 23.80 -999 ? ZN ZN A 201 >SER~A 43 13.60 20.44 5.05 14.35 21.89 3.27 13.98 21.16 4.16 2 0 22.81 -999 ? ZN ZN A 201 >GLU~A 44 16.78 20.22 9.20 17.47 21.39 10.82 17.12 20.81 10.01 2 0 15.02 -999 ? ZN ZN A 201 >LEU~A 45 10.27 18.17 9.57 9.75 18.89 11.56 10.01 18.53 10.56 3 0 20.15 -999 ? ZN ZN A 201 >ALA~A 46 11.06 16.07 5.63 10.98 16.90 4.38 11.02 16.48 5.00 2 0 23.44 -999 ? ZN ZN A 201 >ALA~A 47 14.54 14.50 5.64 15.85 15.25 5.73 15.19 14.88 5.69 2 0 19.45 -999 ? ZN ZN A 201 >ALA~A 48 13.86 12.87 9.02 13.45 13.59 10.27 13.65 13.23 9.65 2 0 17.84 -999 ? ZN ZN A 201 >GLU~A 49 8.29 11.19 6.68 7.58 9.60 7.86 7.93 10.40 7.27 2 0 24.72 -999 ? ZN ZN A 201 >ALA~A 50 12.25 10.08 4.53 12.88 10.93 3.50 12.57 10.51 4.01 2 0 23.68 -999 ? ZN ZN A 201 >PHE~A 51 17.07 8.34 8.11 18.81 6.61 9.44 17.94 7.48 8.77 3 0 18.29 -999 ? ZN ZN A 201 >LEU~A 52 12.23 7.63 10.26 13.22 8.30 12.05 12.73 7.96 11.15 3 0 19.67 -999 ? ZN ZN A 201 >SER~A 53 10.25 5.57 6.80 10.01 7.06 4.92 10.13 6.32 5.86 2 0 25.66 -999 ? ZN ZN A 201 >GLY~A 54 12.88 4.05 4.43 12.99 3.98 5.25 12.93 4.02 4.84 1 0 23.57 -999 ? ZN ZN B 202 >GLY.B 1 19.57 -6.63 15.55 19.81 -5.89 15.75 19.69 -6.26 15.65 1 0 18.65 -999 ? ZN ZN B 202 >ARG.B 2 25.42 -8.00 16.39 24.47 -8.86 19.17 24.94 -8.43 17.78 2 0 18.67 -999 ? ZN ZN B 202 >TYR.B 3 24.66 -4.11 8.38 25.03 -4.13 5.62 24.84 -4.12 7.00 3 0 10.13 -999 ? ZN ZN B 202 >THR.B 4 25.16 -8.55 8.35 24.03 -10.06 9.46 24.60 -9.31 8.91 2 0 11.19 -999 ? ZN ZN B 202 >THR.B 5 25.95 -9.45 4.76 27.81 -8.41 4.50 26.88 -8.93 4.63 2 0 5.23 -999 ? ZN ZN B 202 >ASP.B 6 24.77 -12.74 1.40 25.21 -11.75 -0.31 24.99 -12.24 0.55 2 0 8.37 -999 ? ZN ZN B 202 >ASP.B 7 30.28 -12.20 1.53 30.85 -10.23 2.01 30.56 -11.22 1.77 2 0 -2.29 -999 ? ZN ZN B 202s >GLY.B 8 29.72 -13.13 6.31 29.75 -12.39 6.05 29.74 -12.76 6.18 1 0 6.56 -999 ? ZN ZN B 202 >TYR.B 9 31.07 -7.11 7.39 31.78 -5.00 9.09 31.43 -6.06 8.24 3 0 6.58 -999 ? ZN ZN B 202 >ILE.B 10 28.85 -9.45 11.97 29.21 -10.83 12.61 29.03 -10.14 12.29 3 0 10.65 -999 ? ZN ZN B 202 >PHE.B 11 28.24 -2.40 11.92 28.80 0.24 12.56 28.52 -1.08 12.24 3 0 13.15 -999 ? ZN ZN B 202 >ASN~B 12 32.87 -4.54 14.34 34.18 -4.07 15.93 33.52 -4.31 15.14 2 0 14.46 -999 ? ZN ZN B 202 >ALA~B 13 31.83 0.13 14.66 31.24 0.93 15.81 31.54 0.53 15.24 2 0 16.64 -999 ? ZN ZN B 202 >SER~B 14 35.63 0.10 15.03 36.42 -1.80 16.23 36.03 -0.85 15.63 2 0 16.01 -999 ? ZN ZN B 202 >ASP~B 15 35.08 -2.29 10.80 35.32 -4.19 11.67 35.20 -3.24 11.23 2 0 10.74 -999 ? ZN ZN B 202 >ILE~B 16 33.59 3.09 10.63 32.34 3.67 10.73 32.97 3.38 10.68 3 0 14.72 -999 ? ZN ZN B 202 >ILE.B 17 38.06 3.02 6.80 38.43 1.89 6.04 38.24 2.45 6.42 3 0 13.20 -999 ? ZN ZN B 202 >GLU^B 18 34.88 7.58 3.72 35.51 7.31 1.69 35.19 7.44 2.71 2 0 16.33 -999 ? ZN ZN B 202 >ASP^B 19 31.68 9.08 8.06 29.82 9.87 8.62 30.75 9.47 8.34 2 0 15.30 -999 ? ZN ZN A 201 >THR.B 20 29.82 9.61 3.65 28.98 7.96 2.59 29.40 8.79 3.12 2 0 17.08 -999 ? ZN ZN B 202 >GLY.B 21 27.16 11.32 5.76 27.11 10.53 5.58 27.14 10.93 5.67 1 0 17.01 -999 ? ZN ZN A 201 >ASP.B 22 23.68 8.94 3.72 24.14 7.73 2.00 23.91 8.34 2.86 2 0 18.51 -999 ? ZN ZN B 202 >ALA^B 23 26.67 5.47 5.01 26.72 4.97 3.58 26.69 5.22 4.30 2 0 14.96 -999 ? ZN ZN B 202 >TYR^B 24 29.21 4.43 8.98 28.26 6.29 10.82 28.73 5.36 9.90 3 0 16.45 -999 ? ZN ZN B 202 >ILE^B 25 33.60 3.01 3.87 33.04 2.80 2.61 33.32 2.91 3.24 3 0 11.71 -999 ? ZN ZN B 202 >VAL^B 26 34.36 -0.85 6.30 32.65 -1.73 7.36 33.51 -1.29 6.83 3 0 8.75 -999 ? ZN ZN B 202 >PRO^B 27 38.35 -2.63 6.87 36.69 -2.70 5.36 37.52 -2.66 6.11 3 0 8.71 -999 ? ZN ZN B 202 >HIS^B 28 34.31 -8.53 4.88 33.57 -10.45 5.24 33.94 -9.49 5.06 3 0 -3.14 -999 ? ZN ZN B 202s >GLY.B 29 38.61 -9.54 3.27 38.65 -8.71 3.27 38.63 -9.12 3.27 1 0 6.18 -999 ? ZN ZN B 202 >ASP.B 30 40.48 -9.08 -1.14 38.86 -9.60 -2.44 39.67 -9.34 -1.79 2 0 7.95 -999 ? ZN ZN B 202 >HIS^B 31 35.45 -7.28 -0.36 34.48 -8.74 0.81 34.96 -8.01 0.23 3 0 -3.28 -999 ? ZN ZN B 202s >TYR^B 32 37.01 -1.37 0.89 39.77 -1.04 0.86 38.39 -1.20 0.88 3 0 9.64 -999 ? ZN ZN B 202 >HIS^B 33 30.84 -4.97 2.85 30.87 -6.95 2.16 30.85 -5.96 2.50 3 0 -3.27 -999 ? ZN ZN B 202s >TYR^B 34 27.91 2.17 0.62 26.06 4.22 0.22 26.99 3.19 0.42 3 0 13.31 -999 ? ZN ZN B 202 >ILE^B 35 27.26 -0.26 6.14 27.46 -1.33 7.12 27.36 -0.79 6.63 3 0 10.42 -999 ? ZN ZN B 202 >PRO^B 36 23.01 1.30 2.78 24.18 2.04 4.54 23.59 1.67 3.66 3 0 13.81 -999 ? ZN ZN B 202 >LYS.B 37 22.91 4.20 7.99 24.65 9.53 9.84 23.78 6.87 8.91 2 0 14.21 -999 ? ZN ZN A 201 >ASN~B 38 18.31 3.85 6.29 18.60 3.12 4.33 18.45 3.48 5.31 2 0 18.43 -999 ? ZN ZN B 202 >GLU~B 39 20.05 -0.94 5.32 20.74 -2.00 3.63 20.39 -1.47 4.48 2 0 13.67 -999 ? ZN ZN B 202 >LEU~B 40 23.12 1.03 11.34 25.13 0.62 10.58 24.12 0.83 10.96 3 0 15.40 -999 ? ZN ZN B 202 >SER~B 41 20.27 -0.28 14.58 21.70 -1.45 16.14 20.99 -0.86 15.36 2 0 19.01 -999 ? ZN ZN B 202 >ALA~B 42 20.13 2.45 17.21 19.04 2.60 18.28 19.58 2.52 17.74 2 0 16.56 -999 ? ZN ZN A 201 >SER~B 43 22.96 0.76 19.11 22.01 -0.59 20.88 22.48 0.09 20.00 2 0 18.09 -999 ? ZN ZN A 201 >GLU~B 44 24.74 -1.89 14.97 24.07 -3.07 13.36 24.40 -2.48 14.16 2 0 15.02 -999 ? ZN ZN B 202 >LEU~B 45 23.26 4.78 14.63 22.39 4.86 12.61 22.82 4.82 13.62 3 0 15.08 -999 ? ZN ZN A 201 >ALA~B 46 25.47 5.14 18.54 24.72 4.80 19.81 25.10 4.97 19.18 2 0 12.39 -999 ? ZN ZN A 201 >ALA~B 47 28.57 2.92 18.54 28.58 1.40 18.43 28.58 2.16 18.49 2 0 15.97 -999 ? ZN ZN A 201 >ALA~B 48 29.64 4.32 15.15 28.81 4.32 13.89 29.22 4.32 14.52 2 0 15.02 -999 ? ZN ZN A 201 >GLU~B 49 28.31 9.98 17.50 29.34 11.38 16.32 28.82 10.68 16.91 2 0 8.25 -999 ? ZN ZN A 201 >ALA~B 50 31.25 7.10 19.66 30.82 6.13 20.70 31.03 6.61 20.18 2 0 11.59 -999 ? ZN ZN A 201 >PHE~B 51 35.16 3.81 16.06 37.53 3.14 14.73 36.35 3.48 15.39 3 0 17.77 -999 ? ZN ZN A 201 >LEU~B 52 33.39 8.36 13.91 33.30 7.16 12.13 33.35 7.76 13.02 3 0 14.35 -999 ? ZN ZN A 201 >SER~B 53 34.17 11.10 17.37 32.77 10.56 19.24 33.47 10.83 18.30 2 0 9.19 -999 ? ZN ZN A 201 >GLY~B 54 36.82 9.59 19.73 36.94 9.58 18.88 36.88 9.58 19.30 1 0 12.71 -999 ? ZN ZN A 201 >GLY.C 1 29.81 7.07 39.69 29.10 6.79 39.71 29.46 6.93 39.70 1 0 18.65 -999 ? ZN ZN C 203 >ARG.C 2 28.07 12.89 40.57 29.31 12.48 43.35 28.69 12.68 41.96 2 0 18.67 -999 ? ZN ZN C 203 >TYR.C 3 25.10 10.26 32.56 24.93 10.59 29.80 25.01 10.42 31.18 3 0 10.14 -999 ? ZN ZN C 203 >THR.C 4 28.68 12.91 32.53 30.55 12.70 33.64 29.62 12.81 33.08 2 0 11.18 -999 ? ZN ZN C 203 >THR.C 5 29.08 14.07 28.95 27.24 15.14 28.67 28.16 14.60 28.81 2 0 5.23 -999 ? ZN ZN C 203 >ASP.C 6 32.52 14.66 25.55 33.94 13.38 25.84 33.23 14.02 25.69 2 0 9.05 -999 ? ZN ZN A 201 >ASP.C 7 29.29 19.17 25.71 27.31 18.69 26.21 28.30 18.93 25.96 2 0 -2.30 -999 ? ZN ZN C 203s >GLY.C 8 30.36 19.14 30.49 29.71 18.81 30.22 30.03 18.98 30.36 1 0 6.55 -999 ? ZN ZN C 203 >TYR.C 9 24.48 17.33 31.56 22.30 16.86 33.26 23.39 17.10 32.41 3 0 6.57 -999 ? ZN ZN C 203 >ILE.C 10 27.65 16.55 36.14 28.90 16.43 37.00 28.27 16.49 36.57 3 0 10.92 -999 ? ZN ZN C 203 >PHE.C 11 21.81 12.51 36.10 19.24 11.68 36.72 20.52 12.10 36.41 3 0 13.15 -999 ? ZN ZN C 203 >ASN~C 12 21.37 17.60 38.51 20.29 18.49 40.10 20.83 18.04 39.31 2 0 14.46 -999 ? ZN ZN C 203 >ALA~C 13 17.83 14.36 38.85 17.44 13.43 39.98 17.63 13.89 39.42 2 0 16.64 -999 ? ZN ZN C 203 >SER~C 14 15.95 17.66 39.20 17.21 19.30 40.40 16.58 18.48 39.80 2 0 15.99 -999 ? ZN ZN C 203 >ASP~C 15 18.31 18.38 34.99 19.82 19.53 35.86 19.07 18.96 35.42 2 0 10.76 -999 ? ZN ZN C 203 >ILE~C 16 14.38 14.40 34.81 14.51 13.04 34.92 14.45 13.72 34.86 3 0 14.73 -999 ? ZN ZN C 203 >ILE.C 17 12.22 18.31 30.98 13.01 19.19 30.23 12.61 18.75 30.60 3 0 13.21 -999 ? ZN ZN C 203 >GLU^C 18 9.87 13.27 27.91 9.75 13.94 25.89 9.81 13.61 26.90 2 0 16.36 -999 ? ZN ZN C 203 >ASP^C 19 10.16 9.74 32.22 10.43 7.75 32.81 10.29 8.75 32.51 2 0 19.82 -999 ? ZN ZN C 203 >THR.C 20 10.63 7.87 27.85 12.47 7.97 26.76 11.55 7.92 27.31 2 0 17.09 -999 ? ZN ZN C 203 >GLY.C 21 10.48 4.71 29.94 11.19 5.07 29.77 10.83 4.89 29.86 1 0 21.07 -999 ? ZN ZN C 203 >ASP.C 22 14.26 2.89 27.93 13.17 1.15 28.17 13.71 2.02 28.05 2 0 21.65 -999 ? ZN ZN A 201 >ALA^C 23 15.78 7.23 29.19 16.20 7.50 27.75 15.99 7.36 28.47 2 0 14.97 -999 ? ZN ZN C 203 >TYR^C 24 15.43 9.93 33.15 14.28 8.18 35.00 14.85 9.06 34.08 3 0 16.45 -999 ? ZN ZN C 203 >ILE^C 25 14.45 14.44 28.04 14.91 14.06 26.78 14.68 14.25 27.41 3 0 11.72 -999 ? ZN ZN C 203 >VAL^C 26 17.41 17.03 30.47 19.05 15.99 31.53 18.23 16.51 31.00 3 0 8.75 -999 ? ZN ZN C 203 >PRO^C 27 16.97 21.39 31.07 17.86 19.98 29.55 17.41 20.68 30.31 3 0 8.71 -999 ? ZN ZN C 203 >HIS^C 28 24.10 20.82 29.06 26.13 21.16 29.44 25.12 20.99 29.25 3 0 -3.14 -999 ? ZN ZN C 203s >GLY.C 29 22.81 25.06 27.43 22.07 24.67 27.44 22.44 24.87 27.44 1 0 6.17 -999 ? ZN ZN C 203 >ASP.C 30 21.49 26.44 23.02 22.76 25.30 21.74 22.12 25.87 22.38 2 0 7.94 -999 ? ZN ZN C 203 >HIS^C 31 22.45 21.19 23.81 24.18 21.08 25.01 23.32 21.14 24.41 3 0 -3.28 -999 ? ZN ZN C 203s >TYR^C 32 16.54 19.59 25.07 14.89 21.82 25.07 15.71 20.70 25.07 3 0 9.64 -999 ? ZN ZN C 203 >HIS^C 33 22.75 16.06 27.03 24.45 17.06 26.32 23.60 16.56 26.67 3 0 -3.27 -999 ? ZN ZN C 203s >TYR^C 34 18.03 9.94 24.79 17.18 7.32 24.44 17.60 8.63 24.62 3 0 12.54 -999 ? ZN ZN A 201 >ILE^C 35 20.46 10.59 30.32 21.27 11.30 31.29 20.87 10.94 30.81 3 0 10.43 -999 ? ZN ZN C 203 >PRO^C 36 21.25 6.13 26.98 19.99 6.78 28.73 20.62 6.45 27.86 3 0 13.45 -999 ? ZN ZN A 201 >LYS.C 37 18.75 4.60 32.16 13.28 3.45 34.04 16.02 4.03 33.10 2 0 21.27 -999 ? ZN ZN C 203 >ASN~C 38 21.37 0.79 30.47 21.91 1.38 28.51 21.64 1.09 29.49 2 0 17.51 -999 ? ZN ZN A 201 >GLU~C 39 24.65 4.68 29.50 25.21 5.82 27.81 24.93 5.25 28.66 2 0 12.64 -999 ? ZN ZN A 201 >LEU~C 40 21.40 6.36 35.53 20.77 8.31 34.77 21.09 7.34 35.15 3 0 15.40 -999 ? ZN ZN C 203 >SER~C 41 23.97 4.55 38.77 24.26 6.38 40.32 24.11 5.47 39.55 2 0 19.01 -999 ? ZN ZN C 203 >ALA~C 42 21.67 3.06 41.40 22.09 2.02 42.45 21.88 2.54 41.93 2 0 23.79 -999 ? ZN ZN C 203 >SER~C 43 21.73 6.36 43.31 22.74 7.94 44.88 22.24 7.15 44.09 2 0 21.79 -999 ? ZN ZN C 203 >GLU~C 44 23.12 9.22 39.16 24.48 9.23 37.54 23.80 9.23 38.35 2 0 15.03 -999 ? ZN ZN C 203 >LEU~C 45 18.09 4.61 38.79 18.47 3.80 36.80 18.28 4.21 37.79 3 0 20.15 -999 ? ZN ZN C 203 >ALA~C 46 16.67 6.35 42.73 17.35 5.85 43.99 17.01 6.10 43.36 2 0 23.46 -999 ? ZN ZN C 203 >ALA~C 47 17.05 10.14 42.72 18.36 10.90 42.62 17.71 10.52 42.67 2 0 19.44 -999 ? ZN ZN C 203 >ALA~C 48 15.29 10.36 39.35 15.71 9.63 38.10 15.50 10.00 38.73 2 0 17.86 -999 ? ZN ZN C 203 >GLU~C 49 11.07 6.37 41.67 9.33 6.56 40.50 10.20 6.47 41.09 2 0 24.73 -999 ? ZN ZN C 203 >ALA~C 50 12.09 10.37 43.85 13.16 10.50 44.89 12.63 10.44 44.37 2 0 23.69 -999 ? ZN ZN C 203 >PHE~C 51 12.97 15.40 40.22 12.37 17.79 38.94 12.67 16.60 39.58 3 0 18.29 -999 ? ZN ZN C 203 >LEU~C 52 9.94 11.60 38.10 11.02 12.11 36.30 10.48 11.85 37.20 3 0 19.67 -999 ? ZN ZN C 203 >SER~C 53 7.17 10.89 41.57 8.35 9.98 43.43 7.76 10.43 42.50 2 0 25.65 -999 ? ZN ZN C 203 >GLY~C 54 7.15 13.94 43.92 7.11 14.06 43.08 7.13 14.00 43.50 1 0 25.63 -999 ? ZN ZN C 203