REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-AUG-09 3IKB COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 1309; SOURCE 4 STRAIN: UA159; SOURCE 5 GENE: SMU_1238C, STREPTOCOCCUS MUTANS; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: PPK1037; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR K.TAN,C.HATZOS,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 12 8 HET MSE A 67 8 HET MSE A 85 8 HET MSE A 170 8 HET MSE B 1 8 HET MSE B 12 8 HET MSE B 67 8 HET MSE B 85 8 HET MSE B 170 8 HET FLC A 196 13 HET FLC A 197 13 HET FLC B 196 13 SITE 1 AC1 13 GLY A 41 GLN A 42 ALA A 43 TYR A 54 SITE 1 AC2 8 GLN A 136 LYS A 151 TYR A 152 HOH A 255 SITE 1 AC3 13 GLY B 41 GLN B 42 ALA B 43 TYR B 54 >ALA.A 0 3.73 14.27 42.82 4.38 13.73 44.09 4.06 14.00 43.46 2 0 18.91 -999 ? OB1 FLC B 196 >MET?A 1 7.11 15.39 41.43 8.41 18.39 43.06 7.76 16.89 42.25 2 0 20.67 -999 ? OA1 FLC B 196 >THR.A 2 7.01 13.02 38.45 5.48 11.49 38.85 6.25 12.26 38.65 2 0 23.40 -999 ? OB1 FLC B 196 >SER~A 3 7.19 15.13 35.27 5.20 16.50 35.06 6.19 15.82 35.17 2 0 22.92 -999 ? OA1 FLC A 196 >LEU~A 4 10.23 18.26 32.98 12.18 17.34 32.62 11.21 17.80 32.80 3 0 16.77 -999 ? OA1 FLC A 196 >GLU~A 5 3.93 21.04 33.63 2.56 20.00 34.87 3.25 20.52 34.25 2 0 24.27 -999 ? OA1 FLC A 196 >GLU~A 6 3.60 17.50 37.96 3.28 15.41 38.34 3.44 16.45 38.15 2 0 24.99 -999 ? OB1 FLC B 196 >ILE~A 7 10.25 19.19 38.50 11.31 18.28 38.79 10.78 18.73 38.65 3 0 17.56 -999 ? OA2 FLC A 196 >THR~A 8 9.06 23.35 37.16 9.41 24.03 35.15 9.24 23.69 36.15 2 0 16.93 -999 ? OA1 FLC A 196 >LYS~A 9 5.79 24.39 38.84 0.47 22.54 36.57 3.13 23.47 37.71 2 0 26.09 -999 ? OA1 FLC A 196 >ALA~A 10 7.17 23.37 42.24 7.56 21.97 42.70 7.36 22.67 42.47 2 0 20.86 -999 ? OA2 FLC A 196 >ILE~A 11 11.46 25.16 40.63 12.66 24.80 40.04 12.06 24.98 40.33 3 0 15.46 -999 ? OA2 FLC A 196 >MET?A 12 8.37 28.42 40.65 7.40 28.68 36.51 7.89 28.55 38.58 2 0 18.86 -999 ? CA FLC A 196 >ALA~A 13 6.08 28.11 43.70 5.03 26.99 43.83 5.56 27.55 43.77 2 0 23.31 -999 ? OA2 FLC A 196 >ASP~A 14 10.31 27.16 45.91 11.65 27.02 47.61 10.98 27.09 46.76 2 0 19.80 -999 ? OA2 FLC A 196 >SER.A 15 9.16 31.08 48.22 9.58 30.59 50.55 9.37 30.83 49.39 2 0 21.39 -999 ? OA1 FLC B 196 >GLN.A 16 15.36 29.96 47.48 16.75 28.30 47.32 16.05 29.13 47.40 2 0 16.31 -999 ? OA2 FLC A 196 >ASN~A 17 12.13 30.84 43.02 13.60 29.37 43.44 12.86 30.10 43.23 2 0 16.03 -999 ? OA2 FLC A 196 >LYS~A 18 9.33 34.46 44.54 10.70 35.69 50.16 10.01 35.07 47.35 2 0 23.92 -999 ? OB2 FLC A 196 >VAL~A 19 11.33 37.44 43.21 12.87 38.83 43.94 12.10 38.14 43.58 3 0 19.78 -999 ? OHB FLC A 196 >PHE~A 20 14.25 34.48 40.24 16.89 34.83 41.14 15.57 34.66 40.69 3 0 14.32 -999 ? OHB FLC A 196 >THR~A 21 8.45 34.20 39.61 7.45 32.44 40.29 7.95 33.32 39.95 2 0 20.33 -999 ? CA FLC A 196 >GLU.A 22 6.11 37.69 42.53 6.32 38.44 44.53 6.22 38.06 43.53 2 0 24.92 -999 ? OHB FLC A 196 >LYS.A 23 9.15 38.93 37.17 14.27 41.96 38.42 11.71 40.45 37.79 2 0 18.10 -999 ? OHB FLC A 196 >ASN.A 24 7.42 36.78 33.63 7.19 35.57 31.88 7.31 36.18 32.75 2 0 20.31 -999 ? OG1 FLC A 196 >ILE.A 25 12.75 35.12 35.88 13.93 35.88 35.93 13.34 35.50 35.90 3 0 14.83 -999 ? OHB FLC A 196 >GLU.A 26 9.27 30.22 33.44 8.55 29.19 31.72 8.91 29.70 32.58 2 0 17.51 -999 ? CA FLC A 196 >PRO.A 27 12.19 26.67 36.83 13.35 28.54 36.20 12.77 27.60 36.51 3 0 13.59 -999 ? CA FLC A 196 >LEU.A 28 17.25 28.44 32.84 17.80 28.49 30.71 17.52 28.46 31.78 3 0 8.57 -999 ? CA FLC A 196 >PHE.A 29 15.84 22.41 34.48 13.19 21.48 34.78 14.51 21.94 34.63 3 0 12.32 -999 ? OA1 FLC A 196 >ALA.A 30 17.89 21.40 29.94 18.94 21.80 28.89 18.42 21.60 29.41 2 0 8.71 -999 ? OA1 FLC A 196 >ALA.A 31 16.67 17.84 30.62 16.01 17.73 32.00 16.34 17.78 31.31 2 0 12.77 -999 ? OA1 FLC A 196 >PRO.A 32 17.93 16.69 26.53 16.09 16.48 27.85 17.01 16.59 27.19 3 0 13.73 -999 ? OA1 FLC A 196 >LYS.A 33 14.80 12.42 28.28 10.27 8.65 27.64 12.54 10.53 27.96 2 0 23.63 -999 ? OA1 FLC A 196 >THR.A 34 17.29 11.19 25.66 16.53 12.06 23.80 16.91 11.62 24.73 2 0 18.60 -999 ? OA1 FLC A 196 >ALA.A 35 20.26 12.85 27.51 20.18 13.89 28.59 20.22 13.37 28.05 2 0 13.64 -999 ? OA1 FLC A 196 >ARG.A 36 23.55 8.49 24.81 22.94 6.62 22.44 23.25 7.56 23.62 2 0 21.64 -999 ? OA1 FLC A 196 >ILE^A 37 26.83 13.92 28.25 28.01 13.94 27.58 27.42 13.93 27.92 3 0 12.59 -999 ? OA1 FLC A 196 >ASN^A 38 24.18 15.36 33.36 23.37 16.92 34.57 23.78 16.14 33.97 2 0 9.32 -999 ? OA2 FLC A 196 >ILE^A 39 27.15 19.98 31.02 27.89 20.51 29.97 27.52 20.24 30.50 3 0 5.91 -999 ? OA1 FLC A 196 >VAL^A 40 26.80 20.61 35.71 26.08 19.52 37.45 26.44 20.07 36.58 3 0 6.15 -999 ? OA2 FLC A 196 >GLY.A 41 28.13 24.20 35.91 27.45 23.99 36.35 27.79 24.10 36.13 1 0 -2.91 -999 ? OA2 FLC A 196s >GLN.A 42 28.38 29.14 39.44 30.04 30.43 39.72 29.21 29.78 39.58 2 0 -5.06 -999 ? OB2 FLC A 196s >ALA.A 43 24.33 29.20 37.20 24.12 30.10 38.44 24.23 29.65 37.82 2 0 -5.28 -999 ? OB2 FLC A 196s >PRO.A 44 20.79 30.88 35.13 23.03 30.78 34.81 21.91 30.83 34.97 3 0 5.31 -999 ? CA FLC A 196 >GLY~A 45 24.06 34.85 33.85 23.38 34.47 33.48 23.72 34.66 33.66 1 0 5.60 -999 ? OHB FLC A 196 >ILE~A 46 21.86 39.11 32.88 21.78 40.44 32.65 21.82 39.77 32.77 3 0 10.96 -999 ? OHB FLC A 196 >LYS~A 47 22.15 36.73 28.99 25.73 40.70 28.51 23.94 38.71 28.75 2 0 11.11 -999 ? OG2 FLC A 196 >ALA~A 48 21.37 33.01 29.45 22.26 31.99 30.17 21.81 32.50 29.81 2 0 5.21 -999 ? OG1 FLC A 196 >GLN~A 49 17.18 35.51 33.42 17.28 37.00 34.92 17.23 36.26 34.17 2 0 11.97 -999 ? OHB FLC A 196 >GLU~A 50 16.38 37.98 27.56 14.83 38.56 28.91 15.60 38.27 28.24 2 0 15.19 -999 ? OG1 FLC A 196 >SER~A 51 18.02 33.44 25.90 20.20 32.42 26.18 19.11 32.93 26.04 2 0 8.24 -999 ? OG1 FLC A 196 >ARG~A 52 14.58 31.73 29.15 14.67 30.68 32.00 14.63 31.21 30.57 2 0 11.69 -999 ? CA FLC A 196 >LEU.A 53 20.55 28.95 25.08 19.72 28.14 23.30 20.13 28.55 24.19 3 0 8.62 -999 ? OG1 FLC A 196 >TYR.A 54 22.67 26.69 30.59 21.18 27.11 32.91 21.93 26.90 31.75 3 0 -4.26 -999 ? OA1 FLC A 196s >TRP.A 55 26.66 24.84 28.77 29.95 25.98 30.61 28.30 25.41 29.69 3 0 -3.41 -999 ? OA1 FLC A 196s >ASN.A 56 24.25 30.20 23.56 23.88 30.76 21.55 24.07 30.48 22.55 2 0 9.24 -999 ? OG2 FLC A 196 >ASP~A 57 28.75 32.70 25.45 28.93 31.35 27.09 28.84 32.03 26.27 2 0 -3.26 -999 ? OG2 FLC A 196s >LYS~A 58 32.66 31.89 23.70 34.31 31.33 19.39 33.48 31.61 21.54 2 0 12.33 -999 ? OG2 FLC A 196 >SER~A 59 33.05 29.85 26.91 33.14 31.05 29.04 33.09 30.45 27.97 2 0 5.42 -999 ? OG2 FLC A 196 >GLY~A 60 30.63 27.32 25.43 31.28 27.67 25.06 30.95 27.50 25.24 1 0 5.77 -999 ? OG2 FLC A 196 >ASP~A 61 32.84 28.59 21.29 31.21 29.37 20.15 32.03 28.98 20.72 2 0 10.22 -999 ? OG2 FLC A 196 >ARG~A 62 38.38 27.74 26.51 40.33 29.47 24.90 39.35 28.60 25.70 2 0 13.37 -999 ? OG2 FLC A 196 >LEU~A 63 32.64 23.92 26.96 31.93 22.48 28.48 32.28 23.20 27.72 3 0 7.93 -999 ? CG FLC A 196 >ARG~A 64 29.07 23.56 21.34 28.25 26.25 22.60 28.66 24.91 21.97 2 0 8.09 -999 ? OG2 FLC A 196 >GLU~A 65 38.18 23.19 20.62 39.29 24.99 20.69 38.74 24.09 20.65 2 0 15.40 -999 ? OG2 FLC A 196 >TRP~A 66 38.82 22.57 25.72 38.13 23.81 29.40 38.48 23.19 27.56 3 0 12.45 -999 ? CG FLC A 196 >MET?A 67 34.28 17.83 24.26 30.92 18.71 26.71 32.60 18.27 25.49 2 0 10.15 -999 ? OA1 FLC A 196 >GLY~A 68 34.84 17.23 20.58 34.13 17.44 20.91 34.48 17.33 20.75 1 0 16.87 -999 ? OA1 FLC A 196 >VAL.A 69 31.27 18.04 19.55 30.11 17.49 21.35 30.69 17.77 20.45 3 0 14.92 -999 ? OA1 FLC A 196 >ASP~A 70 30.04 20.59 15.64 28.44 19.51 14.81 29.24 20.05 15.22 2 0 18.10 -999 ? OG1 FLC A 196 >TYR~A 71 26.47 25.75 17.68 24.74 27.71 18.65 25.61 26.73 18.17 3 0 12.28 -999 ? OG2 FLC A 196 >ASP~A 72 24.52 21.01 14.63 22.79 19.84 14.22 23.65 20.42 14.43 2 0 18.63 -999 ? OG1 FLC A 196 >THR~A 73 25.31 18.18 18.01 26.72 16.56 17.68 26.01 17.37 17.85 2 0 17.15 -999 ? OA1 FLC A 196 >PHE~A 74 26.32 21.54 23.18 26.11 22.18 25.88 26.21 21.86 24.53 3 0 8.57 -999 ? OA1 FLC A 196 >TYR~A 75 22.77 24.22 21.24 24.32 25.94 22.80 23.54 25.08 22.02 3 0 9.38 -999 ? OG1 FLC A 196 >HIS~A 76 20.03 21.43 17.21 20.02 23.52 16.96 20.03 22.48 17.08 3 0 15.82 -999 ? OG1 FLC A 196 >SER~A 77 21.45 15.82 19.14 23.12 15.55 20.89 22.28 15.68 20.02 2 0 15.46 -999 ? OA1 FLC A 196 >GLY.A 78 19.29 15.42 22.28 20.11 15.26 22.24 19.70 15.34 22.26 1 0 15.77 -999 ? OA1 FLC A 196 >TYR.A 79 22.93 12.05 22.33 22.13 10.10 20.52 22.53 11.08 21.42 3 0 18.48 -999 ? OA1 FLC A 196 >PHE^A 80 25.37 17.26 25.16 27.72 16.24 24.03 26.55 16.75 24.60 3 0 11.74 -999 ? OA1 FLC A 196 >ALA^A 81 21.55 17.76 29.60 21.02 16.85 30.64 21.29 17.31 30.12 2 0 10.26 -999 ? OA1 FLC A 196 >VAL^A 82 22.54 20.99 31.38 23.64 22.55 30.18 23.09 21.77 30.78 3 0 -5.08 -999 ? OA1 FLC A 196s >ILE.A 83 21.05 19.64 35.52 20.04 18.68 35.71 20.54 19.16 35.62 3 0 8.85 -999 ? OA2 FLC A 196 >PRO.A 84 22.54 25.25 35.47 23.13 23.36 36.51 22.83 24.31 35.99 3 0 -4.10 -999 ? OA2 FLC A 196s >MET?A 85 23.96 24.37 40.63 25.66 21.83 41.89 24.81 23.10 41.26 2 0 8.56 -999 ? OA2 FLC A 196 >ASP.A 86 21.75 28.53 41.03 20.11 29.51 41.98 20.93 29.02 41.50 2 0 10.52 -999 ? OA2 FLC A 196 >PHE.A 87 17.63 25.10 37.85 17.91 22.30 38.18 17.77 23.70 38.02 3 0 9.50 -999 ? OA2 FLC A 196 >TYR.A 88 16.18 31.05 39.32 13.59 29.94 39.49 14.88 30.49 39.41 3 0 12.96 -999 ? CA FLC A 196 >TYR.A 89 21.55 36.50 36.83 23.25 38.71 37.06 22.40 37.60 36.94 3 0 9.54 -999 ? OHB FLC A 196 >PRO.A 90 23.40 32.98 40.99 22.06 34.74 40.54 22.73 33.86 40.77 3 0 9.09 -999 ? OB2 FLC A 196 >GLY.A 91 22.78 38.64 40.64 23.40 38.11 40.45 23.09 38.37 40.54 1 0 12.07 -999 ? OHB FLC A 196 >LYS.A 92 25.75 40.91 39.91 26.92 45.77 35.97 26.34 43.34 37.94 2 0 15.96 -999 ? OHB FLC A 196 >GLY.A 93 28.75 40.69 42.23 28.81 41.02 41.44 28.78 40.86 41.84 1 0 13.50 -999 ? OB2 FLC A 196 >LYS.A 94 31.99 42.70 42.29 30.69 43.21 45.76 31.34 42.96 44.02 2 0 17.74 -999 ? OB2 FLC A 196 >SER.A 95 33.81 40.59 39.66 34.23 38.46 40.75 34.02 39.52 40.21 2 0 12.39 -999 ? OB2 FLC A 196 >GLY.A 96 31.00 38.71 37.89 30.80 38.87 38.72 30.90 38.79 38.31 1 0 10.29 -999 ? OB2 FLC A 196 >ASP.A 97 27.22 35.74 38.29 27.07 36.11 36.20 27.15 35.92 37.24 2 0 6.76 -999 ? OHB FLC A 196 >LEU.A 98 25.95 36.67 43.52 25.84 38.45 44.74 25.90 37.56 44.13 3 0 12.46 -999 ? OB2 FLC A 196 >PRO.A 99 27.88 33.03 45.96 27.37 33.13 43.76 27.62 33.08 44.86 3 0 10.44 -999 ? OB2 FLC A 196 >PRO.A 100 26.52 28.28 42.43 25.31 30.08 43.13 25.91 29.18 42.78 3 0 7.93 -999 ? OB2 FLC A 196 >ARG.A 101 19.26 31.96 45.38 16.90 30.89 43.78 18.08 31.42 44.58 2 0 14.25 -999 ? CA FLC A 196 >LYS.A 102 23.08 27.37 48.94 24.17 24.42 50.18 23.63 25.89 49.56 2 0 15.94 -999 ? OA1 FLC A 197 >GLY~A 103 20.55 24.58 49.21 20.72 24.85 48.49 20.63 24.71 48.85 1 0 16.00 -999 ? OA2 FLC A 196 >PHE~A 104 18.44 26.01 43.48 16.66 26.04 41.27 17.55 26.03 42.38 3 0 11.88 -999 ? OA2 FLC A 196 >ALA~A 105 20.54 21.71 44.14 22.02 21.43 43.83 21.28 21.57 43.98 2 0 11.29 -999 ? OA2 FLC A 196 >GLN~A 106 19.85 19.51 49.94 20.49 20.57 51.72 20.17 20.04 50.83 2 0 16.55 -999 ? OA1 FLC B 196 >LYS~A 107 15.95 20.61 46.47 13.85 25.97 49.15 14.90 23.29 47.81 2 0 19.03 -999 ? OA1 FLC B 196 >TRP~A 108 15.09 23.49 43.31 11.47 22.52 44.57 13.28 23.00 43.94 3 0 16.40 -999 ? OA2 FLC A 196 >HIS~A 109 20.58 19.37 40.90 21.71 20.98 40.15 21.15 20.17 40.52 3 0 9.81 -999 ? OA2 FLC A 196 >GLN~A 110 17.72 12.33 43.42 19.38 11.60 42.31 18.55 11.97 42.86 2 0 17.68 -999 ? OA2 FLC A 196 >PRO~A 111 13.49 16.09 42.84 14.50 14.74 41.32 13.99 15.41 42.08 3 0 17.85 -999 ? OA2 FLC A 196 >ILE~A 112 15.74 17.24 37.25 15.76 18.54 36.66 15.75 17.89 36.95 3 0 13.42 -999 ? OA2 FLC A 196 >LEU~A 113 19.11 13.15 38.18 20.91 14.36 37.92 20.01 13.76 38.05 3 0 14.06 -999 ? OA2 FLC A 196 >ASP~A 114 14.31 10.54 39.30 15.28 10.23 41.13 14.80 10.39 40.22 2 0 20.22 -999 ? OA2 FLC A 196 >LEU.A 115 12.73 12.61 34.61 10.77 12.78 35.58 11.75 12.70 35.10 3 0 19.50 -999 ? OA1 FLC A 196 >LEU.A 116 17.93 12.15 32.99 17.73 14.23 32.29 17.83 13.19 32.64 3 0 14.94 -999 ? OA1 FLC A 196 >PRO.A 117 15.56 7.13 31.32 17.24 7.93 32.55 16.40 7.53 31.93 3 0 20.55 -999 ? OA1 FLC A 196 >ASP.A 118 19.81 7.51 28.44 18.22 6.29 27.73 19.01 6.90 28.09 2 0 21.37 -999 ? OA1 FLC A 196 >ILE.A 119 22.71 10.35 32.93 23.07 11.66 32.40 22.89 11.00 32.67 3 0 15.02 -999 ? OA1 FLC A 196 >GLN.A 120 25.73 6.16 29.45 26.35 5.29 27.61 26.04 5.72 28.53 2 0 20.92 -999 ? OA1 FLC A 196 >LEU^A 121 29.57 10.93 31.17 31.57 11.70 31.40 30.57 11.31 31.29 3 0 15.12 -999 ? OA1 FLC A 196 >THR^A 122 28.18 13.78 34.45 26.75 14.00 36.03 27.46 13.89 35.24 2 0 11.92 -999 ? OA2 FLC A 196 >ILE^A 123 30.83 17.17 32.35 31.52 17.29 31.11 31.18 17.23 31.73 3 0 9.94 -999 ? OA1 FLC A 196 >LEU^A 124 31.75 17.93 38.13 30.35 16.62 39.17 31.05 17.27 38.65 3 0 10.67 -999 ? OA2 FLC A 196 >ILE^A 125 32.09 22.83 34.56 32.31 23.13 33.12 32.20 22.98 33.84 3 0 5.49 -999 ? OB1 FLC A 196 >GLY~A 126 34.05 24.28 38.66 33.81 23.55 38.85 33.93 23.91 38.76 1 0 7.39 -999 ? OB1 FLC A 196 >ASN~A 127 34.69 25.35 43.33 36.82 25.42 43.28 35.76 25.39 43.31 2 0 11.33 -999 ? OB1 FLC A 197 >TYR~A 128 29.77 26.83 43.50 30.65 29.31 44.42 30.21 28.07 43.96 3 0 9.08 -999 ? OB2 FLC A 196 >ALA~A 129 29.55 21.44 41.04 29.67 21.46 39.51 29.61 21.45 40.27 2 0 7.56 -999 ? OA2 FLC A 196 >GLN~A 130 34.28 19.62 40.46 36.26 20.19 39.89 35.27 19.90 40.17 2 0 9.05 -999 ? OB1 FLC A 197 >LYS~A 131 32.15 19.93 45.99 36.97 22.20 45.43 34.56 21.06 45.71 2 0 7.69 -999 ? OB1 FLC A 197 >TYR~A 132 26.01 19.33 45.27 23.36 18.54 45.67 24.68 18.94 45.47 3 0 13.18 -999 ? OA2 FLC A 196 >TYR~A 133 27.03 16.16 41.58 24.34 16.75 40.94 25.68 16.45 41.26 3 0 11.64 -999 ? OA2 FLC A 196 >LEU~A 134 33.28 14.99 44.20 33.79 14.59 42.09 33.53 14.79 43.14 3 0 6.08 -999 ? OB2 FLC A 197 >HIS.A 135 28.95 13.67 48.60 26.98 13.37 47.94 27.97 13.52 48.27 3 0 8.74 -999 ? OA1 FLC A 197 >GLN.A 136 35.23 16.66 46.92 36.19 17.32 45.15 35.71 16.99 46.03 2 0 -3.79 -999 ? OB1 FLC A 197s >LYS.A 137 34.83 19.82 51.87 35.48 17.27 57.30 35.16 18.54 54.58 2 0 6.89 -999 ? OA1 FLC A 197 >SER.A 138 35.37 23.32 50.49 35.19 24.86 52.30 35.28 24.09 51.39 2 0 10.99 -999 ? OA1 FLC A 197 >SER.A 139 39.11 23.06 51.30 39.44 21.57 53.18 39.28 22.32 52.24 2 0 8.51 -999 ? OA1 FLC A 197 >VAL.A 140 39.66 20.30 48.69 38.87 18.29 48.27 39.26 19.29 48.48 3 0 4.87 -999 ? OB1 FLC A 197 >LYS~A 141 41.57 21.86 45.77 47.32 23.03 48.13 44.44 22.45 46.95 2 0 11.60 -999 ? OG1 FLC A 197 >LEU~A 142 39.55 23.43 41.71 38.48 23.83 39.89 39.01 23.63 40.80 3 0 10.71 -999 ? OB1 FLC A 197 >THR~A 143 43.38 21.58 40.58 45.04 22.85 40.04 44.21 22.22 40.31 2 0 12.41 -999 ? OB1 FLC A 197 >ASP~A 144 44.05 18.32 44.17 45.80 19.23 44.93 44.93 18.78 44.55 2 0 7.93 -999 ? OG1 FLC A 197 >THR~A 145 40.52 17.01 41.72 38.53 17.43 42.54 39.52 17.22 42.13 2 0 5.02 -999 ? OB1 FLC A 197 >VAL~A 146 40.99 17.58 38.01 40.43 19.23 36.66 40.71 18.40 37.33 3 0 10.39 -999 ? OB1 FLC A 197 >ALA~A 147 44.57 16.18 38.07 45.71 16.69 38.87 45.14 16.44 38.47 2 0 10.17 -999 ? OG1 FLC A 197 >HIS~A 148 43.10 13.00 41.94 42.28 13.99 43.60 42.69 13.50 42.77 3 0 4.77 -999 ? OG1 FLC A 197 >TYR~A 149 40.59 12.93 34.80 42.04 11.73 32.74 41.31 12.33 33.77 3 0 12.87 -999 ? OB2 FLC A 197 >LYS~A 150 40.15 9.06 36.78 44.60 7.33 32.55 42.37 8.20 34.67 2 0 16.01 -999 ? OB2 FLC A 197 >LYS~A 151 39.23 8.64 40.47 40.02 10.56 46.44 39.63 9.60 43.46 2 0 -2.72 -999 ? OB2 FLC A 197s >TYR~A 152 36.30 12.02 40.82 37.93 13.28 42.66 37.12 12.65 41.74 3 0 -4.68 -999 ? OB2 FLC A 197s >LEU~A 153 36.15 7.80 35.37 36.32 9.17 33.71 36.23 8.48 34.54 3 0 12.62 -999 ? OB2 FLC A 197 >PRO.A 154 31.92 4.45 35.74 33.28 6.20 35.65 32.60 5.33 35.69 3 0 14.07 -999 ? OB2 FLC A 197 >ASP.A 155 29.59 8.43 38.09 28.63 6.59 38.45 29.11 7.51 38.27 2 0 13.83 -999 ? OB2 FLC A 197 >TYR^A 156 30.58 12.31 39.09 28.13 11.90 40.38 29.36 12.11 39.73 3 0 11.08 -999 ? OB2 FLC A 197 >PHE^A 157 35.77 13.89 32.85 38.28 13.93 31.62 37.03 13.91 32.24 3 0 14.15 -999 ? OB2 FLC A 197 >PRO^A 158 37.27 15.70 37.98 35.61 16.46 36.60 36.44 16.08 37.29 3 0 9.79 -999 ? OB2 FLC A 197 >LEU^A 159 36.13 20.29 33.37 36.16 19.06 31.59 36.14 19.67 32.48 3 0 10.71 -999 ? OB1 FLC A 196 >VAL.A 160 37.90 23.76 35.21 40.06 23.94 34.92 38.98 23.85 35.07 3 0 10.73 -999 ? OB1 FLC A 196 >HIS.A 161 33.80 27.54 34.72 31.84 27.31 35.42 32.82 27.42 35.07 3 0 -4.05 -999 ? OB1 FLC A 196s >PRO.A 162 34.31 26.40 29.39 36.17 26.96 30.50 35.24 26.68 29.95 3 0 7.65 -999 ? CG FLC A 196 >SER~A 163 36.80 30.90 30.83 37.75 31.11 33.03 37.27 31.00 31.93 2 0 9.79 -999 ? OB1 FLC A 196 >PRO~A 164 37.37 34.53 28.48 38.70 33.11 29.61 38.03 33.82 29.04 3 0 10.89 -999 ? OG2 FLC A 196 >ARG~A 165 40.01 35.73 36.29 41.72 37.10 38.43 40.86 36.41 37.36 2 0 16.02 -999 ? OB2 FLC A 196 >ASN~A 166 40.65 29.20 33.13 39.79 28.93 35.05 40.22 29.07 34.09 2 0 11.10 -999 ? OB1 FLC A 196 >GLN~A 167 42.76 31.78 27.91 43.39 30.60 26.24 43.08 31.19 27.07 2 0 15.91 -999 ? OG2 FLC A 196 >ILE~A 168 47.11 32.76 33.10 47.95 33.91 33.45 47.53 33.33 33.28 3 0 19.68 -999 ? OB1 FLC A 196 >TRP~A 169 44.74 26.69 37.30 43.83 23.51 35.16 44.29 25.10 36.23 3 0 15.71 -999 ? OB1 FLC A 196 >MET?A 170 45.98 26.25 31.33 42.58 25.59 28.99 44.28 25.92 30.16 2 0 14.85 -999 ? OB1 FLC A 196 >SER~A 171 49.46 27.63 30.42 50.06 29.88 31.32 49.76 28.75 30.87 2 0 21.59 -999 ? OB1 FLC A 196 >ARG~A 172 51.82 29.33 35.34 52.37 31.40 33.15 52.09 30.36 34.24 2 0 23.92 -999 ? OB1 FLC A 196 >HIS~A 173 47.92 23.71 35.91 48.10 24.79 37.71 48.01 24.25 36.81 3 0 16.68 -999 ? OG1 FLC A 197 >PRO~A 174 51.97 22.20 30.54 49.72 22.12 30.78 50.84 22.16 30.66 3 0 21.21 -999 ? OG1 FLC A 197 >TRP~A 175 49.69 19.24 34.47 45.99 19.13 35.82 47.84 19.19 35.15 3 0 15.08 -999 ? OG1 FLC A 197 >PHE~A 176 42.97 20.91 31.59 40.16 21.07 31.29 41.56 20.99 31.44 3 0 14.49 -999 ? OB1 FLC A 196 >GLU~A 177 44.51 22.57 26.92 45.40 24.39 26.35 44.95 23.48 26.64 2 0 18.62 -999 ? OB1 FLC A 196 >ALA~A 178 47.52 17.39 26.70 49.02 17.48 27.05 48.27 17.43 26.87 2 0 22.12 -999 ? OG1 FLC A 197 >GLN~A 179 46.92 12.31 29.68 45.90 11.55 31.40 46.41 11.93 30.54 2 0 16.66 -999 ? OG1 FLC A 197 >VAL~A 180 42.75 15.30 30.34 42.32 16.20 32.31 42.54 15.75 31.33 3 0 15.85 -999 ? OB2 FLC A 197 >VAL~A 181 40.88 16.90 27.47 40.58 18.97 26.81 40.73 17.94 27.14 3 0 16.76 -999 ? OB1 FLC A 196 >PRO~A 182 43.95 15.10 24.76 41.87 14.67 25.46 42.91 14.88 25.11 3 0 20.92 -999 ? OB1 FLC A 196 >ASP~A 183 40.88 11.22 28.83 42.10 9.50 28.90 41.49 10.36 28.87 2 0 18.06 -999 ? OB2 FLC A 197 >LEU~A 184 37.15 15.10 28.06 35.41 16.24 28.68 36.28 15.67 28.37 3 0 14.87 -999 ? OA1 FLC A 196 >LYS~A 185 36.80 13.48 23.97 39.24 18.04 22.44 38.02 15.76 23.20 2 0 17.96 -999 ? CG FLC A 196 >LYS~A 186 37.27 9.73 23.76 37.73 11.34 20.03 37.50 10.53 21.90 2 0 22.17 -999 ? OA1 FLC A 196 >ILE~A 187 34.91 9.40 28.07 35.08 9.12 29.41 34.99 9.26 28.74 3 0 18.16 -999 ? OB2 FLC A 197 >ILE~A 188 32.28 12.88 24.89 31.83 14.25 25.14 32.06 13.57 25.01 3 0 15.34 -999 ? OA1 FLC A 196 >GLN~A 189 33.63 8.85 19.42 35.42 8.51 18.27 34.53 8.68 18.85 2 0 24.04 -999 ? OA1 FLC A 196 >GLN~A 190 32.15 4.41 25.07 31.00 4.94 26.81 31.58 4.67 25.94 2 0 22.02 -999 ? OA1 FLC A 196 >ILE~A 191 28.79 8.52 25.95 28.55 8.94 27.29 28.67 8.73 26.62 3 0 18.05 -999 ? OA1 FLC A 196 >ILE~A 192 27.89 10.63 21.09 26.97 11.40 21.57 27.43 11.01 21.33 3 0 18.32 -999 ? OA1 FLC A 196 >GLN~A 193 30.51 5.55 19.42 32.19 5.81 18.12 31.35 5.68 18.77 2 0 25.14 -999 ? OA1 FLC A 196 >SER~A 194 26.68 3.83 22.32 25.93 4.88 24.38 26.31 4.35 23.35 2 0 22.23 -999 ? OA1 FLC A 196 >SER.A 195 23.50 1.63 22.39 21.34 2.24 23.33 22.42 1.93 22.86 2 0 25.50 -999 ? OA1 FLC A 196 >ALA.B 0 6.14 37.41 53.56 5.19 38.45 54.17 5.67 37.93 53.87 2 0 27.32 -999 ? OA1 FLC B 196 >MET?B 1 7.26 34.32 55.45 5.78 31.53 53.65 6.52 32.92 54.55 2 0 21.16 -999 ? OA1 FLC B 196 >THR.B 2 8.62 36.45 58.26 8.54 38.59 58.67 8.58 37.52 58.46 2 0 25.85 -999 ? OA1 FLC B 196 >SER~B 3 6.81 34.62 61.07 4.49 35.28 61.00 5.65 34.95 61.03 2 0 23.06 -999 ? OA1 FLC B 196 >LEU~B 4 6.26 30.36 63.39 8.14 29.39 64.00 7.20 29.87 63.70 3 0 16.92 -999 ? OA2 FLC B 196 >GLU~B 5 0.17 33.31 62.42 -0.82 31.46 62.64 -0.32 32.38 62.53 2 0 21.38 -999 ? OA2 FLC B 196 >GLU~B 6 2.85 35.78 58.12 4.43 37.21 58.25 3.64 36.49 58.18 2 0 25.29 -999 ? OA1 FLC B 196 >ILE~B 7 5.80 29.58 57.84 7.18 29.26 57.77 6.49 29.42 57.81 3 0 17.56 -999 ? OA1 FLC B 196 >THR~B 8 1.72 27.95 59.04 1.35 27.36 61.06 1.53 27.66 60.05 2 0 17.08 -999 ? OA2 FLC B 196 >LYS~B 9 -1.00 29.74 57.01 -4.56 29.19 59.89 -2.78 29.46 58.45 2 0 22.07 -999 ? CA FLC B 196 >ALA~B 10 0.93 29.27 53.74 2.30 29.84 53.41 1.61 29.56 53.57 2 0 20.99 -999 ? OA1 FLC B 196 >ILE~B 11 1.99 24.82 55.66 2.94 24.04 56.33 2.46 24.43 56.00 3 0 15.62 -999 ? OA1 FLC B 196 >MET?B 12 -2.41 25.15 55.21 -3.33 25.81 59.33 -2.87 25.48 57.27 2 0 18.84 -999 ? CA FLC B 196 >ALA~B 13 -3.31 27.11 52.06 -3.00 28.58 51.96 -3.15 27.85 52.01 2 0 23.39 -999 ? CA FLC B 196 >ASP.B 14 0.18 24.39 50.23 1.45 24.08 48.62 0.82 24.24 49.42 2 0 20.27 -999 ? OA1 FLC B 196 >SER.B 15 -3.16 22.65 47.45 -2.13 22.46 45.27 -2.64 22.56 46.36 2 0 23.66 -999 ? CA FLC B 196 >GLN.B 16 1.36 18.47 48.99 3.52 18.37 48.86 2.44 18.42 48.92 2 0 16.67 -999 ? OA1 FLC B 196 >ASN~B 17 -1.55 20.62 53.05 0.51 20.47 52.68 -0.52 20.55 52.87 2 0 16.02 -999 ? CA FLC B 196 >LYS~B 18 -5.93 20.72 51.10 -9.24 17.81 47.46 -7.59 19.26 49.28 2 0 24.67 -999 ? OHB FLC B 196 >VAL~B 19 -7.25 17.33 52.25 -7.52 15.32 51.44 -7.39 16.33 51.84 3 0 20.13 -999 ? OHB FLC B 196 >PHE~B 20 -3.49 16.82 55.74 -2.10 14.45 55.22 -2.79 15.63 55.48 3 0 14.40 -999 ? OHB FLC B 196 >THR~B 21 -6.91 21.58 55.82 -6.08 23.44 55.10 -6.49 22.51 55.46 2 0 20.56 -999 ? CA FLC B 196 >GLU~B 22 -10.63 21.12 52.34 -11.48 23.08 52.68 -11.06 22.10 52.51 2 0 -25.51 -999 ? CA FLC B 196s >LYS~B 23 -10.41 18.06 57.68 -9.58 11.96 56.50 -9.99 15.01 57.09 2 0 18.71 -999 ? OHB FLC B 196 >ASN.B 24 -10.51 20.60 61.27 -10.71 22.26 62.57 -10.61 21.43 61.92 2 0 22.02 -999 ? OHB FLC B 196 >ILE.B 25 -5.46 17.84 60.06 -5.22 16.44 60.11 -5.34 17.14 60.08 3 0 15.18 -999 ? OHB FLC B 196 >GLU.B 26 -4.01 23.24 62.47 -4.00 24.57 64.14 -4.00 23.91 63.30 2 0 17.95 -999 ? CA FLC B 196 >PRO.B 27 1.01 23.28 59.44 0.23 21.23 60.11 0.62 22.26 59.78 3 0 13.63 -999 ? CA FLC B 196 >LEU.B 28 2.70 18.32 63.65 2.94 17.92 65.78 2.82 18.12 64.71 3 0 8.65 -999 ? CA FLC B 196 >PHE.B 29 6.46 23.23 62.12 5.46 25.84 61.66 5.96 24.53 61.89 3 0 12.38 -999 ? OA1 FLC B 196 >ALA.B 30 8.37 22.39 66.68 8.73 21.37 67.74 8.55 21.88 67.21 2 0 8.68 -999 ? OA2 FLC B 196 >ALA.B 31 10.40 25.56 66.10 10.11 26.09 64.68 10.26 25.82 65.39 2 0 12.83 -999 ? OA2 FLC B 196 >PRO.B 32 12.04 25.32 70.08 11.08 26.93 68.81 11.56 26.13 69.45 3 0 13.69 -999 ? OA2 FLC B 196 >LYS.B 33 13.19 30.58 68.32 11.45 33.90 72.11 12.32 32.24 70.22 2 0 21.88 -999 ? OA2 FLC B 196 >THR.B 34 15.87 29.62 70.89 14.80 29.88 72.74 15.33 29.75 71.82 2 0 18.92 -999 ? OA2 FLC B 196 >ALA.B 35 16.54 26.22 69.18 15.69 25.57 68.05 16.12 25.90 68.61 2 0 13.85 -999 ? OA2 FLC B 196 >ARG.B 36 21.89 26.61 72.18 22.65 28.37 74.56 22.27 27.49 73.37 2 0 21.82 -999 ? OA2 FLC B 196 >ILE^B 37 19.92 20.47 68.82 20.63 19.59 69.53 20.28 20.03 69.18 3 0 12.88 -999 ? OA2 FLC B 196 >ASN^B 38 17.36 21.29 63.58 15.73 20.88 62.27 16.55 21.09 62.92 2 0 9.15 -999 ? OA1 FLC B 196 >ILE^B 39 15.47 16.27 66.10 15.56 15.38 67.26 15.52 15.82 66.68 3 0 6.18 -999 ? OA2 FLC B 196 >VAL^B 40 14.95 15.87 61.37 15.40 16.99 59.53 15.17 16.43 60.45 3 0 5.97 -999 ? OA1 FLC B 196 >GLY.B 41 13.02 12.57 61.27 12.77 13.21 60.78 12.90 12.89 61.02 1 0 -2.83 -999 ? OA1 FLC B 196s >GLN.B 42 9.37 9.11 57.79 9.44 6.99 57.51 9.40 8.05 57.65 2 0 -4.94 -999 ? OB1 FLC B 196s >ALA.B 43 6.80 12.25 59.66 6.04 11.80 58.40 6.42 12.02 59.03 2 0 -5.27 -999 ? OB1 FLC B 196s >PRO.B 44 3.10 13.98 61.48 4.60 12.31 61.83 3.85 13.14 61.65 3 0 5.29 -999 ? OHB FLC B 196 >GLY~B 45 2.06 8.91 62.72 1.90 9.69 63.07 1.98 9.30 62.90 1 0 5.70 -999 ? OHB FLC B 196 >ILE~B 46 -2.51 7.61 63.79 -3.54 6.76 63.41 -3.02 7.18 63.60 3 0 10.96 -999 ? OHB FLC B 196 >LYS~B 47 -0.87 9.23 67.48 -1.67 3.81 68.65 -1.27 6.52 68.07 2 0 11.53 -999 ? OG2 FLC B 196 >ALA~B 48 1.52 12.15 67.00 2.90 12.08 66.29 2.21 12.12 66.65 2 0 5.42 -999 ? OG1 FLC B 196 >GLN~B 49 -2.88 13.91 62.91 -3.85 12.86 61.35 -3.37 13.38 62.13 2 0 12.01 -999 ? OHB FLC B 196 >GLU~B 50 -5.47 12.73 68.78 -6.98 13.26 67.37 -6.22 13.00 68.07 2 0 15.32 -999 ? OHB FLC B 196 >SER~B 51 -1.03 14.58 70.48 1.14 13.54 70.27 0.06 14.06 70.37 2 0 8.31 -999 ? OG1 FLC B 196 >ARG~B 52 -1.79 18.21 67.14 -0.88 18.85 64.29 -1.34 18.53 65.72 2 0 11.90 -999 ? CA FLC B 196 >LEU.B 53 4.00 15.62 71.40 3.94 16.82 73.14 3.97 16.22 72.27 3 0 8.57 -999 ? OG1 FLC B 196 >TYR.B 54 7.35 15.37 66.13 6.16 16.15 63.72 6.76 15.76 64.93 3 0 -4.21 -999 ? OA2 FLC B 196s >TRP.B 55 11.31 13.55 68.16 12.65 10.19 66.55 11.98 11.87 67.36 3 0 -3.31 -999 ? OA2 FLC B 196s >ASN.B 56 5.39 12.14 73.21 4.66 12.17 75.20 5.03 12.15 74.21 2 0 9.21 -999 ? OG2 FLC B 196 >ASP~B 57 6.48 7.02 71.55 7.71 7.69 69.95 7.10 7.35 70.75 2 0 -3.37 -999 ? OG2 FLC B 196s >LYS~B 58 9.47 4.56 73.64 9.96 3.78 77.62 9.71 4.17 75.63 2 0 12.05 -999 ? OG2 FLC B 196 >SER~B 59 11.50 5.39 70.57 10.91 6.62 68.54 11.21 6.01 69.55 2 0 4.16 -999 ? OG2 FLC B 196 >GLY~B 60 11.84 9.00 71.77 11.93 8.30 72.21 11.89 8.65 71.99 1 0 5.88 -999 ? OG2 FLC B 196 >ASP~B 61 12.15 6.71 76.11 10.34 7.42 76.95 11.24 7.07 76.53 2 0 10.24 -999 ? OG2 FLC B 196 >ARG~B 62 17.43 2.96 72.86 15.76 0.39 73.14 16.60 1.67 73.00 2 0 13.24 -999 ? OG2 FLC B 196 >LEU~B 63 15.60 9.65 70.57 16.30 11.31 69.31 15.95 10.48 69.94 3 0 8.05 -999 ? CG FLC B 196 >ARG~B 64 13.56 12.83 75.77 11.03 11.61 74.45 12.29 12.22 75.11 2 0 8.09 -999 ? OG2 FLC B 196 >GLU~B 65 17.66 6.42 77.38 17.21 4.29 77.47 17.43 5.35 77.43 2 0 14.63 -999 ? OG2 FLC B 196 >TRP~B 66 20.77 5.75 72.20 19.35 5.24 68.57 20.06 5.49 70.39 3 0 12.65 -999 ? CG FLC B 196 >MET?B 67 21.47 12.33 73.35 18.68 14.22 70.76 20.07 13.27 72.06 2 0 10.35 -999 ? OA2 FLC B 196 >GLY~B 68 22.04 12.44 77.11 21.44 12.83 76.69 21.74 12.64 76.90 1 0 17.00 -999 ? OA2 FLC B 196 >VAL.B 69 19.05 14.74 77.75 18.83 15.89 75.89 18.94 15.32 76.82 3 0 14.89 -999 ? OA2 FLC B 196 >ASP~B 70 16.06 14.37 81.59 16.07 16.38 82.23 16.06 15.37 81.91 2 0 18.19 -999 ? OG1 FLC B 196 >TYR~B 71 10.01 13.66 79.21 7.51 13.65 78.02 8.76 13.66 78.62 3 0 12.21 -999 ? OG2 FLC B 196 >ASP~B 72 12.28 18.35 82.20 11.59 20.28 82.81 11.93 19.32 82.50 2 0 18.78 -999 ? OG1 FLC B 196 >THR~B 73 15.09 19.30 78.83 17.21 19.37 79.30 16.15 19.33 79.06 2 0 17.09 -999 ? OA2 FLC B 196 >PHE~B 74 13.40 16.06 73.87 12.90 15.43 71.13 13.15 15.74 72.50 3 0 8.47 -999 ? OA2 FLC B 196 >TYR~B 75 9.03 17.32 75.38 8.76 14.94 73.89 8.90 16.13 74.63 3 0 9.33 -999 ? OG1 FLC B 196 >HIS~B 76 9.11 21.38 79.10 7.56 19.98 79.27 8.34 20.68 79.18 3 0 15.60 -999 ? OG1 FLC B 196 >SER~B 77 14.53 23.83 77.53 15.81 22.51 75.98 15.17 23.17 76.76 2 0 15.45 -999 ? OA2 FLC B 196 >GLY.B 78 13.69 25.58 74.25 14.29 25.06 74.37 13.99 25.32 74.31 1 0 15.81 -999 ? OA2 FLC B 196 >TYR.B 79 18.53 24.80 74.49 19.35 26.77 76.27 18.94 25.79 75.38 3 0 18.50 -999 ? OA2 FLC B 196 >PHE^B 80 16.33 19.58 71.81 18.57 18.68 73.24 17.45 19.13 72.52 3 0 12.02 -999 ? OA2 FLC B 196 >ALA^B 81 13.53 21.98 67.21 13.98 22.94 66.09 13.75 22.46 66.65 2 0 10.46 -999 ? OA2 FLC B 196 >VAL^B 82 11.77 19.06 65.48 11.15 17.37 66.80 11.46 18.22 66.14 3 0 -5.25 -999 ? OA2 FLC B 196s >ILE.B 83 12.07 20.90 61.37 12.22 22.29 61.03 12.14 21.59 61.20 3 0 8.68 -999 ? OA1 FLC B 196 >PRO.B 84 8.74 16.14 61.54 10.55 16.90 60.41 9.65 16.52 60.98 3 0 -4.04 -999 ? OA1 FLC B 196s >MET?B 85 10.51 15.51 56.34 13.61 15.61 55.09 12.06 15.56 55.72 2 0 8.67 -999 ? OA1 FLC B 196 >ASP.B 86 5.85 14.66 55.74 4.14 15.27 54.64 5.00 14.96 55.19 2 0 10.51 -999 ? CA FLC B 196 >PHE.B 87 5.72 20.09 58.78 8.13 21.57 58.47 6.92 20.83 58.62 3 0 9.59 -999 ? OA1 FLC B 196 >TYR.B 88 0.28 17.46 57.04 -0.49 20.16 56.77 -0.11 18.81 56.90 3 0 13.00 -999 ? CA FLC B 196 >TYR.B 89 -0.73 9.95 59.47 -1.53 7.30 59.10 -1.13 8.63 59.28 3 0 9.87 -999 ? OHB FLC B 196 >PRO.B 90 3.43 10.80 55.47 1.19 10.72 55.77 2.31 10.76 55.62 3 0 9.37 -999 ? OB1 FLC B 196 >GLY.B 91 -1.35 7.69 55.62 -0.54 7.55 55.77 -0.95 7.62 55.70 1 0 12.29 -999 ? OHB FLC B 196 >LYS.B 92 -1.04 3.92 55.83 -4.33 1.44 57.29 -2.69 2.68 56.56 2 0 16.03 -999 ? OHB FLC B 196 >GLY.B 93 0.77 1.73 53.31 0.50 1.44 54.08 0.64 1.59 53.70 1 0 14.16 -999 ? OB1 FLC B 196 >LYS.B 94 1.25 -2.04 53.51 -2.95 -2.37 51.12 -0.85 -2.20 52.32 2 0 19.96 -999 ? OB1 FLC B 196 >SER.B 95 4.53 -2.37 55.49 6.71 -3.42 55.06 5.62 -2.89 55.27 2 0 14.64 -999 ? OB1 FLC B 196 >GLY.B 96 4.35 0.84 57.57 4.00 0.94 56.78 4.18 0.89 57.17 1 0 10.63 -999 ? OB1 FLC B 196 >ASP.B 97 3.64 5.64 57.99 2.76 5.56 59.92 3.20 5.60 58.96 2 0 7.59 -999 ? OHB FLC B 196 >LEU.B 98 2.22 6.56 52.89 0.90 5.67 51.46 1.56 6.11 52.18 3 0 12.71 -999 ? OB1 FLC B 196 >PRO.B 99 6.69 7.01 50.91 6.08 7.46 53.02 6.38 7.24 51.97 3 0 10.48 -999 ? OB1 FLC B 196 >PRO.B 100 9.02 11.19 54.92 7.16 10.97 53.62 8.09 11.08 54.27 3 0 7.86 -999 ? OB1 FLC B 196 >ARG.B 101 1.71 13.99 51.51 1.18 16.81 52.60 1.45 15.40 52.06 2 0 14.12 -999 ? CA FLC B 196 >LYS.B 102 7.68 14.55 47.67 10.49 10.25 43.93 9.09 12.40 45.80 2 0 18.00 -999 ? OB1 FLC B 196 >GLY~B 103 8.31 18.30 47.44 8.21 17.98 48.18 8.26 18.14 47.81 1 0 16.50 -999 ? OA1 FLC B 196 >PHE~B 104 5.73 18.86 53.07 4.62 20.26 55.23 5.18 19.56 54.15 3 0 12.22 -999 ? OA1 FLC B 196 >ALA~B 105 10.50 19.65 52.71 11.57 18.58 53.05 11.04 19.12 52.88 2 0 11.28 -999 ? OA1 FLC B 196 >GLN~B 106 12.59 20.30 47.84 11.84 18.32 47.96 12.22 19.31 47.90 2 0 15.85 -999 ? OA1 FLC B 196 >LYS~B 107 8.86 24.16 50.14 3.52 25.36 47.07 6.19 24.76 48.60 2 0 21.28 -999 ? OA1 FLC B 196 >TRP~B 108 5.75 22.86 53.10 4.48 26.44 52.08 5.12 24.65 52.59 3 0 16.45 -999 ? OA1 FLC B 196 >HIS~B 109 12.39 21.22 55.96 11.77 19.31 56.57 12.08 20.27 56.26 3 0 9.81 -999 ? OA1 FLC B 196 >GLN~B 110 16.15 27.84 53.68 17.42 27.02 55.24 16.78 27.43 54.46 2 0 17.15 -999 ? OA1 FLC B 196 >PRO~B 111 10.38 28.83 53.75 11.95 28.85 55.37 11.16 28.84 54.56 3 0 17.75 -999 ? OA1 FLC B 196 >ILE~B 112 10.64 26.54 59.57 9.57 25.79 60.09 10.11 26.17 59.83 3 0 13.36 -999 ? OA1 FLC B 196 >LEU~B 113 15.95 26.47 58.65 16.14 24.34 59.05 16.05 25.40 58.85 3 0 13.90 -999 ? OA1 FLC B 196 >ASP~B 114 14.95 31.78 57.32 16.02 31.25 55.57 15.49 31.52 56.44 2 0 20.19 -999 ? OA1 FLC B 196 >LEU.B 115 12.12 31.83 61.99 10.86 33.22 60.86 11.49 32.53 61.42 3 0 19.41 -999 ? OA1 FLC B 196 >LEU.B 116 15.80 28.11 63.80 14.01 27.08 64.49 14.91 27.60 64.15 3 0 15.03 -999 ? OA1 FLC B 196 >PRO.B 117 18.02 33.23 65.31 18.56 31.41 64.10 18.29 32.32 64.70 3 0 20.62 -999 ? OA1 FLC B 196 >ASP.B 118 20.36 29.85 68.30 20.29 31.89 68.89 20.33 30.87 68.60 2 0 21.57 -999 ? OA2 FLC B 196 >ILE.B 119 20.26 25.64 63.99 19.45 24.49 64.46 19.85 25.06 64.23 3 0 14.98 -999 ? OA1 FLC B 196 >GLN.B 120 25.33 26.29 67.50 26.29 26.40 69.40 25.81 26.34 68.45 2 0 21.27 -999 ? OA2 FLC B 196 >LEU^B 121 24.05 20.09 66.11 24.82 18.06 65.92 24.43 19.08 66.02 3 0 15.15 -999 ? OA1 FLC B 196 >THR^B 122 21.14 19.14 62.76 20.14 20.03 61.09 20.64 19.59 61.92 2 0 11.71 -999 ? OA1 FLC B 196 >ILE^B 123 20.10 15.09 65.09 20.44 14.57 66.39 20.27 14.83 65.74 3 0 10.00 -999 ? OA1 FLC B 196 >LEU^B 124 20.16 13.55 59.28 20.55 15.34 58.23 20.36 14.45 58.76 3 0 10.49 -999 ? OA1 FLC B 196 >ILE^B 125 16.52 10.47 63.04 16.39 10.24 64.49 16.45 10.36 63.77 3 0 5.57 -999 ? OB2 FLC B 196 >GLY~B 126 16.65 7.71 59.08 17.15 8.32 58.88 16.90 8.01 58.98 1 0 7.17 -999 ? OB2 FLC B 196 >ASN~B 127 16.46 6.19 54.51 17.71 4.51 54.73 17.09 5.35 54.62 2 0 11.87 -999 ? OB2 FLC B 196 >TYR~B 128 12.34 9.06 53.94 10.95 6.82 53.02 11.64 7.94 53.48 3 0 8.86 -999 ? OB1 FLC B 196 >ALA~B 129 16.28 12.82 56.26 16.31 12.87 57.76 16.30 12.84 57.01 2 0 7.55 -999 ? OA1 FLC B 196 >GLN~B 130 20.68 10.36 57.28 21.44 8.53 58.06 21.06 9.45 57.67 2 0 11.58 -999 ? OB2 FLC B 196 >LYS~B 131 19.27 11.28 51.60 20.46 6.08 52.53 19.86 8.68 52.07 2 0 14.52 -999 ? OB2 FLC B 196 >TYR~B 132 16.00 16.62 51.63 15.24 19.20 50.89 15.62 17.91 51.26 3 0 13.48 -999 ? OA1 FLC B 196 >TYR~B 133 18.83 17.94 55.54 16.74 19.77 56.06 17.79 18.85 55.80 3 0 11.47 -999 ? OA1 FLC B 196 >LEU~B 134 23.79 13.72 53.44 24.33 13.87 55.57 24.06 13.79 54.50 3 0 12.51 -999 ? OA1 FLC A 197 >HIS.B 135 23.93 16.64 48.56 25.90 17.27 48.94 24.92 16.96 48.75 3 0 11.90 -999 ? OA1 FLC A 197 >GLN.B 136 23.91 10.93 50.96 24.02 9.74 52.72 23.96 10.33 51.84 2 0 12.92 -999 ? OA1 FLC A 197 >LYS.B 137 21.70 8.62 45.97 25.92 8.70 41.13 23.81 8.66 43.55 2 0 13.96 -999 ? OB2 FLC A 197 >SER.B 138 19.12 6.06 47.18 18.08 5.22 45.19 18.60 5.64 46.19 2 0 19.35 -999 ? OB1 FLC B 196 >SER.B 139 21.76 3.30 46.75 23.30 4.27 45.13 22.53 3.78 45.94 2 0 16.90 -999 ? OA2 FLC A 197 >VAL.B 140 23.82 4.67 49.66 24.86 6.58 50.05 24.34 5.63 49.86 3 0 14.36 -999 ? OA2 FLC A 197 >LYS~B 141 23.49 2.58 52.85 24.92 -2.14 52.50 24.20 0.22 52.67 2 0 18.79 -999 ? OA2 FLC A 197 >LEU~B 142 20.80 3.90 56.57 20.34 4.98 58.49 20.57 4.44 57.53 3 0 12.29 -999 ? OB2 FLC B 196 >THR~B 143 24.66 2.00 58.03 24.78 -0.09 58.60 24.72 0.96 58.31 2 0 17.62 -999 ? OB2 FLC B 196 >ASP~B 144 27.84 3.15 54.58 29.77 3.69 53.98 28.80 3.42 54.28 2 0 11.56 -999 ? OA2 FLC A 197 >THR~B 145 26.50 6.99 56.51 25.04 8.24 55.55 25.77 7.62 56.03 2 0 13.20 -999 ? OA1 FLC A 197 >VAL~B 146 26.19 6.55 60.26 24.46 6.11 61.61 25.33 6.33 60.93 3 0 14.94 -999 ? OB2 FLC B 196 >ALA~B 147 29.61 4.78 60.41 30.03 3.57 59.59 29.82 4.18 60.00 2 0 14.06 -999 ? OA2 FLC A 197 >HIS~B 148 31.95 6.77 56.63 33.03 5.07 56.02 32.49 5.92 56.33 3 0 9.40 -999 ? OA2 FLC A 197 >TYR~B 149 29.48 10.06 63.38 31.29 9.98 65.51 30.38 10.02 64.44 3 0 14.88 -999 ? OA1 FLC A 197 >LYS~B 150 32.40 12.35 61.39 36.00 9.89 65.35 34.20 11.12 63.37 2 0 14.62 -999 ? OA1 FLC A 197 >LYS~B 151 32.43 13.32 57.67 33.20 13.12 52.15 32.82 13.22 54.91 2 0 -3.18 -999 ? OA1 FLC A 197s >TYR~B 152 27.99 13.45 56.92 28.23 11.53 54.89 28.11 12.49 55.90 3 0 9.38 -999 ? OA1 FLC A 197 >LEU.B 153 30.55 16.66 62.48 29.36 15.69 64.06 29.95 16.18 63.27 3 0 13.66 -999 ? OA1 FLC A 197 >PRO.B 154 31.36 21.88 61.72 30.36 19.85 61.89 30.86 20.86 61.81 3 0 13.64 -999 ? OA1 FLC A 197 >ASP.B 155 26.45 21.17 59.11 27.40 22.99 58.68 26.93 22.08 58.89 2 0 14.58 -999 ? OA1 FLC A 197 >TYR^B 156 23.97 17.91 58.26 22.71 19.89 56.75 23.34 18.90 57.50 3 0 14.79 -999 ? OA1 FLC B 196 >PHE^B 157 25.67 13.32 64.93 27.09 11.44 66.45 26.38 12.38 65.69 3 0 15.83 -999 ? OA1 FLC B 196 >PRO^B 158 25.43 10.64 59.94 23.78 11.59 61.14 24.61 11.11 60.54 3 0 13.86 -999 ? OB2 FLC B 196 >LEU^B 159 20.91 9.01 64.47 21.87 9.77 66.23 21.39 9.39 65.35 3 0 10.75 -999 ? OB2 FLC B 196 >VAL.B 160 19.55 5.28 62.81 20.65 3.47 63.41 20.10 4.37 63.11 3 0 10.74 -999 ? OB2 FLC B 196 >HIS.B 161 13.90 6.07 62.96 12.97 7.63 61.92 13.44 6.85 62.44 3 0 -4.04 -999 ? OB2 FLC B 196s >PRO.B 162 15.02 6.33 68.31 15.62 4.49 67.19 15.32 5.41 67.75 3 0 7.89 -999 ? CG FLC B 196 >SER.B 163 13.21 1.29 66.60 13.93 0.15 64.57 13.57 0.72 65.59 2 0 10.47 -999 ? OB2 FLC B 196 >PRO.B 164 10.45 -1.97 67.37 12.70 -1.74 67.42 11.58 -1.85 67.40 3 0 11.83 -999 ? OG2 FLC B 196 >ARG~B 165 14.40 -2.29 61.26 15.01 -1.03 58.51 14.70 -1.66 59.88 2 0 12.35 -999 ? OB1 FLC B 196 >ASN~B 166 17.58 -0.08 65.38 17.00 0.48 63.36 17.29 0.20 64.37 2 0 11.30 -999 ? OB2 FLC B 196 >GLN~B 167 17.76 -4.26 71.19 17.09 -2.47 72.14 17.42 -3.36 71.67 2 0 15.69 -999 ? OG2 FLC B 196 >ILE~B 168 19.24 -7.47 65.74 19.90 -8.84 65.92 19.57 -8.16 65.83 3 0 20.35 -999 ? OB2 FLC B 196 >TRP~B 169 21.99 -1.97 61.51 23.62 1.05 63.42 22.80 -0.46 62.47 3 0 15.81 -999 ? OB2 FLC B 196 >MET?B 170 23.25 -2.21 67.45 21.50 0.86 69.84 22.37 -0.68 68.65 2 0 15.64 -999 ? OB2 FLC B 196 >SER~B 171 24.63 -5.69 68.46 24.71 -8.01 69.21 24.67 -6.85 68.83 2 0 23.57 -999 ? OB2 FLC B 196 >ARG~B 172 23.48 -8.17 62.84 21.74 -10.42 61.71 22.61 -9.29 62.28 2 0 23.13 -999 ? OB2 FLC B 196 >HIS~B 173 26.26 -2.32 62.70 25.56 -3.35 61.01 25.91 -2.84 61.85 3 0 19.74 -999 ? OB2 FLC B 196 >PRO~B 174 30.45 -3.86 67.84 28.80 -2.38 67.73 29.62 -3.12 67.79 3 0 23.36 -999 ? OB2 FLC B 196 >TRP~B 175 30.91 -0.48 64.11 28.30 2.02 62.57 29.61 0.77 63.34 3 0 18.39 -999 ? OA2 FLC A 197 >PHE~B 176 24.98 3.33 66.95 22.93 5.23 67.20 23.95 4.28 67.07 3 0 14.83 -999 ? OB2 FLC B 196 >GLU~B 177 24.76 1.42 71.68 23.72 0.41 73.24 24.24 0.92 72.46 2 0 18.94 -999 ? OG2 FLC B 196 >ALA~B 178 30.72 2.49 71.78 31.60 1.27 71.46 31.16 1.88 71.62 2 0 23.84 -999 ? OA2 FLC A 197 >GLN~B 179 33.98 4.29 69.19 35.01 3.11 67.78 34.50 3.70 68.49 2 0 19.19 -999 ? OA2 FLC A 197 >VAL~B 180 29.06 7.27 67.86 28.16 6.93 65.90 28.61 7.10 66.88 3 0 18.34 -999 ? OB2 FLC B 196 >VAL~B 181 26.63 7.81 70.75 24.80 6.74 71.35 25.71 7.28 71.05 3 0 17.12 -999 ? OB2 FLC B 196 >PRO~B 182 29.91 6.84 73.65 28.87 8.66 72.83 29.39 7.75 73.24 3 0 21.29 -999 ? OB2 FLC B 196 >ASP~B 183 30.92 11.38 69.27 32.33 12.84 68.58 31.63 12.11 68.92 2 0 17.73 -999 ? OA1 FLC A 197 >LEU~B 184 25.52 11.72 69.79 23.47 12.22 69.16 24.50 11.97 69.47 3 0 15.09 -999 ? OA2 FLC B 196 >LYS~B 185 26.38 13.23 73.90 24.39 8.43 75.56 25.38 10.83 74.73 2 0 18.23 -999 ? OG2 FLC B 196 >LYS~B 186 29.58 15.28 74.10 35.19 13.50 74.89 32.39 14.39 74.50 2 0 23.61 -999 ? OA1 FLC A 197 >ILE~B 187 28.50 17.04 69.71 28.89 16.95 68.42 28.69 16.99 69.06 3 0 19.28 -999 ? OA1 FLC B 196 >ILE~B 188 23.97 17.12 72.61 22.65 16.61 72.35 23.31 16.87 72.48 3 0 15.57 -999 ? OA2 FLC B 196 >GLN~B 189 26.20 17.28 77.71 24.39 18.22 78.43 25.29 17.75 78.07 2 0 20.21 -999 ? OA2 FLC B 196 >GLN~B 190 31.15 20.37 73.76 32.64 19.92 72.25 31.90 20.14 73.01 2 0 22.06 -999 ? OA1 FLC A 197 >ILE~B 191 25.25 22.57 71.23 24.91 22.41 69.88 25.08 22.49 70.56 3 0 18.42 -999 ? OA2 FLC B 196 >ILE~B 192 22.23 22.36 75.39 21.54 21.09 75.14 21.88 21.73 75.27 3 0 17.75 -999 ? OA2 FLC B 196 >GLN~B 193 28.09 23.47 78.24 29.33 22.12 79.30 28.71 22.80 78.77 2 0 25.52 -999 ? OA2 FLC B 196 >SER~B 194 27.30 26.96 75.60 26.49 26.95 73.21 26.89 26.95 74.41 2 0 22.85 -999 ? OA2 FLC B 196 >SER.B 195 24.46 29.01 77.17 23.62 31.27 76.91 24.04 30.14 77.04 2 0 25.46 -999 ? OA2 FLC B 196