REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-NOV-04 1Y2I COMPND HYPOTHETICAL PROTEIN S0862; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A STR. 2457T; SOURCE 3 ORGANISM_TAXID: 198215; SOURCE 4 STRAIN: 2A STR. 2457T; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR J.S.BRUNZELLE,G.MINASOV,X.YANG,L.SHUVALOVA,F.R.COLLART, AUTHOR 2 W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 93 8 HET MSE A 95 8 HET MSE B 1 8 HET MSE B 93 8 HET MSE B 95 8 HET MSE C 1 8 HET MSE C 93 8 HET MSE C 95 8 HET MSE D 1 8 HET MSE D 93 8 HET MSE D 95 8 HET MSE E 1 8 HET MSE E 93 8 HET MSE E 95 8 >MET?A 1 24.30 29.31 29.43 24.03 32.46 31.15 24.17 30.89 30.29 2 0 1000.00 -999 ? >GLN^A 2 29.86 28.90 27.13 29.75 28.25 25.08 29.80 28.58 26.10 2 0 1000.00 -999 ? >PHE^A 3 28.91 30.32 33.50 26.31 30.41 34.51 27.61 30.36 34.00 3 0 1000.00 -999 ? >SER.A 4 34.06 31.95 30.83 35.74 32.04 29.07 34.90 31.99 29.95 2 0 1000.00 -999 ? >THR.A 5 36.93 33.83 32.50 38.12 32.38 33.65 37.53 33.10 33.08 2 0 1000.00 -999 ? >THR.A 6 38.07 34.88 28.99 38.22 33.08 27.74 38.14 33.98 28.37 2 0 1000.00 -999 ? >PRO.A 7 39.17 38.60 27.05 37.27 37.59 27.72 38.22 38.09 27.38 3 0 1000.00 -999 ? >THR.A 8 35.86 36.62 24.07 37.33 37.66 22.76 36.60 37.14 23.42 2 0 1000.00 -999 ? >LEU.A 9 33.20 32.76 23.22 32.33 32.48 25.25 32.76 32.62 24.24 3 0 1000.00 -999 ? >GLU.A 10 38.94 31.82 19.26 40.74 31.57 20.32 39.84 31.70 19.79 2 0 1000.00 -999 ? >GLY.A 11 33.95 30.65 17.27 33.82 31.37 17.65 33.89 31.01 17.46 1 0 1000.00 -999 ? >LEU^A 12 30.67 32.90 19.80 29.69 31.06 20.43 30.18 31.98 20.12 3 0 1000.00 -999 ? >THR^A 13 30.66 36.86 18.11 30.89 37.99 16.19 30.77 37.42 17.15 2 0 1000.00 -999 ? >ILE^A 14 30.03 39.57 22.17 30.42 39.71 23.50 30.22 39.64 22.84 3 0 1000.00 -999 ? >VAL^A 15 26.40 41.01 19.41 25.10 39.42 18.49 25.75 40.21 18.95 3 0 1000.00 -999 ? >GLU^A 16 23.06 43.77 23.57 20.94 43.67 23.40 22.00 43.72 23.48 2 0 1000.00 -999 ? >TYR^A 17 29.39 43.97 25.42 31.51 42.80 24.09 30.45 43.39 24.75 3 0 1000.00 -999 ? >CYH^A 18 24.37 43.62 28.70 22.52 42.38 27.05 23.45 43.00 27.87 2 0 1000.00 -999 ? >GLY^A 19 26.32 44.87 31.72 26.46 44.12 31.52 26.39 44.50 31.62 1 0 1000.00 -999 ? >VAL^A 20 28.16 43.53 34.75 29.91 44.35 35.76 29.04 43.94 35.26 3 0 1000.00 -999 ? >VAL^A 21 26.52 40.66 36.66 25.80 39.43 35.01 26.16 40.04 35.83 3 0 1000.00 -999 ? >THR^A 22 27.47 39.12 40.06 27.76 41.05 41.16 27.61 40.09 40.61 2 0 1000.00 -999 ? >GLY^A 23 26.70 36.19 42.34 27.48 36.57 42.51 27.09 36.38 42.43 1 0 1000.00 -999 ? >GLU^A 24 27.27 37.42 46.91 27.38 39.33 46.02 27.33 38.37 46.47 2 0 1000.00 -999 ? >ALA^A 25 27.53 32.92 48.76 27.46 31.47 48.29 27.50 32.19 48.52 2 0 1000.00 -999 ? >ILE^A 26 28.29 34.29 53.15 28.45 35.51 53.88 28.37 34.90 53.51 3 0 1000.00 -999 ? >LEU^A 27 31.22 29.44 53.74 32.34 27.68 53.91 31.78 28.56 53.83 3 0 1000.00 -999 ? >GLY~A 28 29.09 30.54 57.95 29.67 30.04 57.68 29.38 30.29 57.81 1 0 1000.00 -999 ? >ALA~A 29 31.45 30.03 60.93 31.45 30.91 62.19 31.45 30.47 61.56 2 0 1000.00 -999 ? >ASN~A 30 28.32 26.44 62.09 27.16 26.51 60.28 27.74 26.47 61.19 2 0 1000.00 -999 ? >ILE~A 31 30.36 25.70 57.06 29.61 24.73 56.76 29.99 25.22 56.91 3 0 1000.00 -999 ? >PHE~A 32 35.96 28.51 58.69 38.53 29.03 57.72 37.24 28.77 58.21 3 0 1000.00 -999 ? >ARG~A 33 33.61 27.32 65.55 30.81 28.61 65.27 32.21 27.96 65.41 2 0 1000.00 -999 ? >ASP~A 34 31.93 21.51 60.62 30.63 21.20 62.31 31.28 21.35 61.46 2 0 1000.00 -999 ? >PHE~A 35 33.23 20.94 56.49 30.81 19.52 56.43 32.02 20.23 56.46 3 0 1000.00 -999 ? >PHE~A 36 37.24 25.44 55.91 35.87 25.55 53.45 36.55 25.50 54.68 3 0 1000.00 -999 ? >ALA.A 37 39.55 24.59 61.34 38.65 24.96 62.52 39.10 24.77 61.93 2 0 1000.00 -999 ? >GLY.A 38 40.90 21.05 61.86 41.05 21.40 61.18 40.98 21.23 61.52 1 0 1000.00 -999 ? >ILE.A 39 42.98 21.66 57.45 42.67 21.92 56.24 42.82 21.79 56.85 3 0 1000.00 -999 ? >ARG.A 40 46.49 17.31 62.55 43.85 15.88 61.80 45.17 16.59 62.18 2 0 1000.00 -999 ? >ASP.A 41 49.69 18.20 56.51 50.73 17.39 58.22 50.21 17.79 57.36 2 0 1000.00 -999 ? >ILE^A 42 49.37 20.52 52.05 50.05 21.64 51.20 49.71 21.08 51.62 3 0 1000.00 -999 ? >VAL^A 43 44.87 19.02 51.99 43.49 18.02 53.37 44.18 18.52 52.68 3 0 1000.00 -999 ? >GLY^A 44 43.74 19.39 48.39 43.25 19.08 48.98 43.49 19.23 48.68 1 0 1000.00 -999 ? >GLY.A 45 40.16 19.87 47.28 40.64 19.24 47.14 40.40 19.55 47.21 1 0 1000.00 -999 ? >ARG.A 46 41.32 14.91 42.42 43.52 14.03 40.48 42.42 14.47 41.45 2 0 1000.00 -999 ? >SER.A 47 40.22 14.60 49.08 42.67 14.48 49.29 41.44 14.54 49.19 2 0 1000.00 -999 ? >GLY.A 48 39.35 17.38 51.54 38.84 17.11 50.96 39.10 17.25 51.25 1 0 1000.00 -999 ? >ALA~A 49 35.79 17.42 52.81 35.37 16.80 54.13 35.58 17.11 53.47 2 0 1000.00 -999 ? >TYR~A 50 38.23 22.16 52.56 40.38 22.15 50.76 39.30 22.15 51.66 3 0 1000.00 -999 ? >GLU~A 51 36.57 20.38 46.85 36.54 22.32 46.03 36.55 21.35 46.44 2 0 1000.00 -999 ? >LYS~A 52 32.36 19.85 49.09 33.28 14.77 48.46 32.82 17.31 48.78 2 0 1000.00 -999 ? >GLU~A 53 31.44 22.24 53.34 29.41 21.65 53.22 30.43 21.95 53.28 2 0 1000.00 -999 ? >LEU~A 54 34.85 25.41 48.40 36.26 26.53 49.68 35.56 25.97 49.04 3 0 1000.00 -999 ? >ARG~A 55 31.83 19.79 44.85 31.46 16.79 45.49 31.65 18.29 45.17 2 0 1000.00 -999 ? >LYS~A 56 28.39 24.08 46.95 25.55 21.73 51.74 26.97 22.91 49.34 2 0 1000.00 -999 ? >ALA~A 57 29.24 27.75 47.69 30.35 28.28 48.62 29.79 28.01 48.15 2 0 1000.00 -999 ? >ARG~A 58 34.31 27.56 43.26 35.04 24.68 44.10 34.68 26.12 43.68 2 0 1000.00 -999 ? >GLU~A 59 25.81 24.81 42.41 25.75 24.32 40.37 25.78 24.56 41.39 2 0 1000.00 -999 ? >ILE~A 60 25.00 29.00 45.92 24.41 28.92 47.11 24.71 28.96 46.51 3 0 1000.00 -999 ? >ALA~A 61 27.25 31.91 43.34 28.66 32.22 43.66 27.96 32.06 43.50 2 0 1000.00 -999 ? >PHE~A 62 29.38 29.95 38.74 32.05 30.59 38.25 30.72 30.27 38.49 3 0 1000.00 -999 ? >GLU~A 63 21.89 28.15 40.51 22.15 26.40 41.70 22.02 27.27 41.11 2 0 1000.00 -999 ? >GLU~A 64 22.63 35.60 42.63 23.38 36.51 44.40 23.00 36.06 43.51 2 0 1000.00 -999 ? >LEU~A 65 26.71 34.63 38.23 28.36 35.48 37.09 27.54 35.06 37.66 3 0 1000.00 -999 ? >GLY~A 66 23.53 33.06 35.47 23.15 33.46 36.05 23.34 33.26 35.76 1 0 1000.00 -999 ? >SER~A 67 20.03 33.91 36.66 19.16 34.47 38.81 19.59 34.19 37.73 2 0 1000.00 -999 ? >GLN~A 68 21.89 39.52 37.99 23.30 39.95 39.48 22.60 39.74 38.73 2 0 1000.00 -999 ? >ALA~A 69 22.27 37.17 33.13 23.46 36.35 32.72 22.87 36.76 32.92 2 0 1000.00 -999 ? >ARG~A 70 17.44 31.70 32.88 19.84 30.48 34.43 18.64 31.09 33.66 2 0 1000.00 -999 ? >ALA~A 71 16.89 38.17 33.15 16.68 38.63 34.61 16.79 38.40 33.88 2 0 1000.00 -999 ? >LEU~A 72 20.33 41.01 31.37 21.01 42.22 32.98 20.67 41.61 32.17 3 0 1000.00 -999 ? >GLY~A 73 18.28 38.50 28.00 19.03 38.46 28.39 18.66 38.48 28.19 1 0 1000.00 -999 ? >ALA.A 74 21.89 37.26 27.84 22.99 37.78 28.79 22.44 37.52 28.32 2 0 1000.00 -999 ? >ASP.A 75 22.76 33.22 25.53 23.85 34.13 23.95 23.31 33.68 24.74 2 0 1000.00 -999 ? >ALA^A 76 26.72 33.96 28.25 27.80 33.77 27.14 27.26 33.86 27.69 2 0 1000.00 -999 ? >VAL^A 77 28.79 35.55 31.02 28.09 35.80 33.05 28.44 35.67 32.03 3 0 1000.00 -999 ? >VAL^A 78 32.29 36.41 29.91 31.77 36.95 27.81 32.03 36.68 28.86 3 0 1000.00 -999 ? >GLY^A 79 35.41 37.91 31.58 34.79 37.43 31.90 35.10 37.67 31.74 1 0 1000.00 -999 ? >ILE^A 80 33.79 34.76 34.89 32.70 33.86 35.28 33.25 34.31 35.09 3 0 1000.00 -999 ? >ASP^A 81 36.72 38.03 38.52 38.79 38.46 38.22 37.76 38.25 38.37 2 0 1000.00 -999 ? >ILE^A 82 36.09 32.87 41.08 35.64 31.58 40.96 35.86 32.22 41.02 3 0 1000.00 -999 ? >ASP^A 83 37.29 37.26 44.57 38.39 38.04 42.82 37.84 37.65 43.69 2 0 1000.00 -999 ? >TYR^A 84 37.69 32.11 47.51 37.06 29.99 45.82 37.38 31.05 46.66 3 0 1000.00 -999 ? >GLU^A 85 37.50 39.45 51.48 39.48 39.85 50.71 38.49 39.65 51.09 2 0 1000.00 -999 ? >THR^A 86 37.55 35.86 54.71 38.96 34.58 55.76 38.26 35.22 55.23 2 0 1000.00 -999 ? >VAL^A 87 35.22 38.03 56.79 33.55 38.18 55.36 34.38 38.10 56.07 3 0 1000.00 -999 ? >GLY.A 88 34.15 38.51 60.43 34.91 38.65 60.29 34.53 38.58 60.36 1 0 1000.00 -999 ? >GLN.A 89 33.83 39.92 65.34 33.87 40.97 67.20 33.85 40.44 66.27 2 0 1000.00 -999 ? >ASN.A 90 36.59 34.23 64.66 35.88 34.94 66.54 36.23 34.59 65.60 2 0 1000.00 -999 ? >GLY.A 91 38.45 35.15 60.24 37.93 34.69 60.72 38.19 34.92 60.48 1 0 1000.00 -999 ? >SER.A 92 36.04 32.24 60.16 37.01 31.19 62.11 36.53 31.72 61.14 2 0 1000.00 -999 ? >MET?A 93 33.55 33.16 57.50 30.64 35.59 59.59 32.09 34.38 58.55 2 0 1000.00 -999 ? >LEU.A 94 34.87 31.42 53.49 36.66 30.99 52.28 35.76 31.21 52.88 3 0 1000.00 -999 ? >MET?A 95 32.68 34.80 51.06 31.01 38.74 50.51 31.85 36.77 50.78 2 0 1000.00 -999 ? >VAL.A 96 32.80 33.52 47.45 32.89 31.38 46.94 32.84 32.45 47.19 3 0 1000.00 -999 ? >SER.A 97 32.14 36.33 44.95 32.33 38.04 46.65 32.23 37.19 45.80 2 0 1000.00 -999 ? >VAL.A 98 31.76 35.91 41.21 31.46 33.85 40.34 31.61 34.88 40.77 3 0 1000.00 -999 ? >SER.A 99 31.50 38.67 38.64 33.51 40.00 38.97 32.51 39.33 38.81 2 0 1000.00 -999 ? >GLY.A 100 31.47 38.91 34.86 30.87 39.43 35.17 31.17 39.17 35.01 1 0 1000.00 -999 ? >THR.A 101 29.81 40.55 31.89 30.80 42.27 30.95 30.31 41.41 31.42 2 0 1000.00 -999 ? >ALA.A 102 26.49 39.28 30.60 25.17 39.56 31.32 25.83 39.42 30.96 2 0 1000.00 -999 ? >VAL.A 103 26.33 39.08 26.77 28.55 38.72 26.59 27.44 38.90 26.68 3 0 1000.00 -999 ? >LYS.A 104 24.30 37.85 23.76 18.63 40.42 23.30 21.46 39.14 23.53 2 0 1000.00 -999 ? >THR.A 105 26.33 35.76 21.29 27.13 34.35 22.76 26.73 35.05 22.03 2 0 1000.00 -999 ? >ARG.A 106 25.11 36.56 14.26 26.54 39.26 13.84 25.82 37.91 14.05 2 0 1000.00 -999 ? >ARG.A 107 29.03 28.87 15.39 32.07 28.49 15.07 30.55 28.68 15.23 2 0 1000.00 -999 ? >ASN.A 108 31.54 32.43 13.64 32.15 34.08 14.88 31.85 33.26 14.26 2 0 1000.00 -999 ? >ILE.A 109 29.38 27.84 11.65 30.20 26.82 11.26 29.79 27.33 11.45 3 0 1000.00 -999 ? >MET?B 1 47.05 19.41 29.22 44.07 20.40 31.02 45.56 19.90 30.12 2 0 1000.00 -999 ? >GLN^B 2 49.13 22.99 26.56 48.80 23.55 24.55 48.96 23.27 25.55 2 0 1000.00 -999 ? >PHE^B 3 47.66 24.12 33.55 46.84 21.61 34.63 47.25 22.87 34.09 3 0 1000.00 -999 ? >SER.B 4 47.84 29.48 30.84 48.21 30.95 28.96 48.02 30.22 29.90 2 0 1000.00 -999 ? >THR.B 5 46.95 32.79 32.53 48.71 33.49 33.62 47.83 33.14 33.08 2 0 1000.00 -999 ? >THR.B 6 46.26 34.12 29.01 48.02 33.62 27.77 47.14 33.87 28.39 2 0 1000.00 -999 ? >PRO.B 7 42.92 36.22 27.09 43.38 34.11 27.78 43.15 35.16 27.43 3 0 1000.00 -999 ? >THR.B 8 43.85 32.42 24.20 43.45 34.22 23.02 43.65 33.32 23.61 2 0 1000.00 -999 ? >LEU.B 9 46.69 28.92 23.26 46.56 27.99 25.23 46.63 28.45 24.24 3 0 1000.00 -999 ? >GLU.B 10 49.33 34.04 19.36 50.25 35.45 20.64 49.79 34.75 20.00 2 0 1000.00 -999 ? >GLY.B 11 48.95 28.92 17.17 48.24 28.99 17.57 48.60 28.95 17.37 1 0 1000.00 -999 ? >LEU^B 12 45.90 26.35 19.64 47.32 24.95 20.36 46.61 25.65 20.00 3 0 1000.00 -999 ? >THR^B 13 42.11 27.75 18.13 41.09 28.42 16.28 41.60 28.08 17.20 2 0 1000.00 -999 ? >ILE^B 14 39.36 28.14 22.13 39.36 28.54 23.50 39.36 28.34 22.81 3 0 1000.00 -999 ? >VAL^B 15 36.93 24.93 19.51 37.29 23.33 18.06 37.11 24.13 18.79 3 0 1000.00 -999 ? >GLU^B 16 33.41 22.38 23.15 33.53 20.25 23.26 33.47 21.31 23.20 2 0 1000.00 -999 ? >TYR^B 17 34.88 28.71 25.34 36.69 30.44 24.11 35.78 29.57 24.73 3 0 1000.00 -999 ? >CYH^B 18 33.69 23.76 28.60 34.24 21.59 26.88 33.97 22.67 27.74 2 0 1000.00 -999 ? >GLY^B 19 33.14 26.01 31.68 33.92 25.94 31.50 33.53 25.97 31.59 1 0 1000.00 -999 ? >VAL^B 20 34.92 27.47 34.70 34.76 29.46 35.60 34.84 28.47 35.15 3 0 1000.00 -999 ? >VAL^B 21 37.05 24.97 36.62 37.88 23.82 34.95 37.47 24.40 35.78 3 0 1000.00 -999 ? >THR^B 22 38.83 25.39 39.99 36.99 26.11 41.03 37.91 25.75 40.51 2 0 1000.00 -999 ? >GLY^B 23 41.38 23.72 42.25 41.25 24.55 42.44 41.31 24.13 42.34 1 0 1000.00 -999 ? >GLU^B 24 40.16 24.19 46.90 38.70 24.61 45.47 39.43 24.40 46.18 2 0 1000.00 -999 ? >ALA^B 25 44.71 23.30 48.69 46.11 22.95 48.20 45.41 23.13 48.44 2 0 1000.00 -999 ? >ILE^B 26 43.56 24.40 53.13 42.43 24.89 53.77 42.99 24.65 53.45 3 0 1000.00 -999 ? >LEU^B 27 49.28 25.41 53.98 50.27 26.04 52.20 49.77 25.72 53.09 3 0 1000.00 -999 ? >GLY~B 28 47.19 23.91 57.92 47.87 24.29 57.69 47.53 24.10 57.81 1 0 1000.00 -999 ? >ALA~B 29 48.29 25.92 60.97 47.43 26.19 62.22 47.86 26.05 61.60 2 0 1000.00 -999 ? >ASN~B 30 50.83 21.80 62.07 50.38 20.66 60.31 50.61 21.23 61.19 2 0 1000.00 -999 ? >ILE~B 31 52.04 23.80 57.01 52.84 22.75 56.56 52.44 23.27 56.79 3 0 1000.00 -999 ? >PHE~B 32 51.30 29.95 58.85 51.66 32.61 58.13 51.48 31.28 58.49 3 0 1000.00 -999 ? >ARG~B 33 51.61 26.26 65.58 49.76 23.84 65.18 50.69 25.05 65.38 2 0 1000.00 -999 ? >ASP~B 34 56.54 23.71 60.93 56.68 22.51 62.70 56.61 23.11 61.82 2 0 1000.00 -999 ? >PHE~B 35 57.50 24.89 56.60 58.11 22.15 56.34 57.81 23.52 56.47 3 0 1000.00 -999 ? >PHE~B 36 54.60 30.15 56.08 54.01 28.95 53.60 54.30 29.55 54.84 3 0 1000.00 -999 ? >ALA.B 37 55.99 31.94 61.52 55.28 31.29 62.68 55.64 31.62 62.10 2 0 1000.00 -999 ? >GLY.B 38 59.06 33.85 62.64 58.88 33.65 61.91 58.97 33.75 62.27 1 0 1000.00 -999 ? >ILE.B 39 59.67 34.24 57.78 59.38 34.01 56.46 59.52 34.12 57.12 3 0 1000.00 -999 ? >ARG.B 40 64.42 37.57 63.09 66.07 40.15 63.64 65.24 38.86 63.36 2 0 1000.00 -999 ? >ASP.B 41 65.36 39.74 56.90 66.60 40.35 58.61 65.98 40.05 57.76 2 0 1000.00 -999 ? >ILE^B 42 63.16 40.40 52.52 62.69 41.47 51.68 62.92 40.94 52.10 3 0 1000.00 -999 ? >VAL^B 43 63.03 35.70 52.31 63.55 34.14 53.81 63.29 34.92 53.06 3 0 1000.00 -999 ? >GLY^B 44 62.49 34.60 48.69 62.62 34.05 49.31 62.56 34.32 49.00 1 0 1000.00 -999 ? >GLY.B 45 60.97 31.31 47.53 61.74 31.55 47.41 61.36 31.43 47.47 1 0 1000.00 -999 ? >ARG.B 46 65.41 31.05 42.96 67.95 31.29 41.22 66.68 31.17 42.09 2 0 1000.00 -999 ? >SER.B 47 66.12 30.04 49.57 66.63 32.01 50.98 66.38 31.02 50.27 2 0 1000.00 -999 ? >GLY.B 48 63.08 29.59 51.81 63.19 29.01 51.26 63.13 29.30 51.54 1 0 1000.00 -999 ? >ALA~B 49 61.75 26.34 53.26 62.03 25.89 54.71 61.89 26.11 53.99 2 0 1000.00 -999 ? >TYR~B 50 58.16 30.24 52.70 58.97 32.35 51.03 58.57 31.30 51.87 3 0 1000.00 -999 ? >GLU~B 51 59.44 27.84 46.96 57.63 28.34 45.90 58.54 28.09 46.43 2 0 1000.00 -999 ? >LYS~B 52 58.58 23.78 49.38 63.44 23.20 48.62 61.01 23.49 49.00 2 0 1000.00 -999 ? >GLU~B 53 55.79 23.55 53.52 55.45 21.43 53.39 55.62 22.49 53.45 2 0 1000.00 -999 ? >LEU~B 54 54.18 27.93 48.50 53.42 29.63 49.65 53.80 28.78 49.08 3 0 1000.00 -999 ? >ARG~B 55 58.00 22.91 43.72 60.03 21.46 45.55 59.02 22.19 44.63 2 0 1000.00 -999 ? >LYS~B 56 53.27 21.41 47.02 53.98 17.47 51.76 53.63 19.44 49.39 2 0 1000.00 -999 ? >ALA~B 57 49.98 23.29 47.58 49.79 24.42 48.56 49.88 23.86 48.07 2 0 1000.00 -999 ? >ARG~B 58 52.06 28.10 43.22 54.59 28.76 44.84 53.32 28.43 44.03 2 0 1000.00 -999 ? >GLU~B 59 52.83 19.83 42.07 54.50 18.70 42.78 53.67 19.27 42.43 2 0 1000.00 -999 ? >ILE~B 60 47.72 19.68 45.85 47.70 19.06 47.05 47.71 19.37 46.45 3 0 1000.00 -999 ? >ALA~B 61 45.51 22.76 43.31 45.74 24.20 43.68 45.63 23.48 43.50 2 0 1000.00 -999 ? >PHE~B 62 48.13 24.25 38.76 48.41 27.01 38.19 48.27 25.63 38.48 3 0 1000.00 -999 ? >GLU~B 63 47.70 16.72 40.20 48.71 15.50 41.64 48.20 16.11 40.92 2 0 1000.00 -999 ? >GLU~B 64 40.50 19.93 42.42 39.87 20.69 44.32 40.18 20.31 43.37 2 0 1000.00 -999 ? >LEU~B 65 42.94 23.23 38.16 42.69 25.14 37.21 42.82 24.19 37.69 3 0 1000.00 -999 ? >GLY~B 66 43.64 19.67 35.59 43.03 19.49 36.14 43.34 19.58 35.87 1 0 1000.00 -999 ? >SER~B 67 41.38 16.83 36.75 40.45 15.19 38.24 40.92 16.01 37.50 2 0 1000.00 -999 ? >GLN~B 68 37.78 19.97 38.67 36.77 21.54 39.62 37.27 20.76 39.15 2 0 1000.00 -999 ? >ALA~B 69 39.10 19.94 32.97 40.35 20.69 32.63 39.72 20.32 32.80 2 0 1000.00 -999 ? >ARG~B 70 42.23 13.32 32.41 44.07 10.86 32.11 43.15 12.09 32.26 2 0 1000.00 -999 ? >ALA~B 71 36.45 15.11 33.01 35.97 15.15 34.45 36.21 15.13 33.73 2 0 1000.00 -999 ? >LEU~B 72 34.62 19.22 31.09 33.69 20.17 32.86 34.15 19.70 31.98 3 0 1000.00 -999 ? >GLY.B 73 36.80 16.51 27.90 36.99 17.19 28.27 36.89 16.85 28.08 1 0 1000.00 -999 ? >ALA.B 74 39.05 19.60 27.77 38.86 20.82 28.72 38.96 20.21 28.24 2 0 1000.00 -999 ? >ASP.B 75 43.15 19.15 25.47 42.58 20.63 24.01 42.87 19.89 24.74 2 0 1000.00 -999 ? >ALA^B 76 43.63 23.07 28.24 44.05 23.94 27.08 43.84 23.50 27.66 2 0 1000.00 -999 ? >VAL^B 77 42.68 25.59 30.91 42.07 24.88 32.92 42.38 25.23 31.91 3 0 1000.00 -999 ? >VAL^B 78 43.07 29.23 29.93 42.33 29.06 27.88 42.70 29.14 28.91 3 0 1000.00 -999 ? >GLY^B 79 42.59 32.61 31.66 42.84 31.87 31.97 42.72 32.24 31.81 1 0 1000.00 -999 ? >ILE^B 80 45.03 30.02 34.96 45.57 28.74 35.30 45.30 29.38 35.13 3 0 1000.00 -999 ? >ASP^B 81 42.72 33.80 38.61 42.91 35.91 38.28 42.82 34.86 38.45 2 0 1000.00 -999 ? >ILE^B 82 47.28 31.39 41.12 48.49 31.07 41.45 47.89 31.23 41.28 3 0 1000.00 -999 ? >ASP^B 83 43.96 34.56 44.84 44.49 36.47 45.85 44.22 35.51 45.34 2 0 1000.00 -999 ? >TYR^B 84 48.76 32.59 47.70 50.69 31.39 46.05 49.73 31.99 46.88 3 0 1000.00 -999 ? >GLU^B 85 41.59 34.40 50.37 42.06 35.18 48.45 41.82 34.79 49.41 2 0 1000.00 -999 ? >THR^B 86 44.76 33.64 54.80 46.31 34.78 55.77 45.53 34.21 55.29 2 0 1000.00 -999 ? >VAL^B 87 41.93 32.08 56.77 41.26 30.57 55.27 41.59 31.33 56.02 3 0 1000.00 -999 ? >GLY.B 88 41.12 31.24 60.40 41.23 32.00 60.28 41.18 31.62 60.34 1 0 1000.00 -999 ? >GLN.B 89 39.15 32.33 65.65 38.47 31.25 67.39 38.81 31.79 66.52 2 0 1000.00 -999 ? >ASN.B 90 45.61 32.06 64.80 44.87 31.85 66.80 45.24 31.95 65.80 2 0 1000.00 -999 ? >GLY.B 91 45.63 34.05 60.34 45.88 33.43 60.78 45.75 33.74 60.56 1 0 1000.00 -999 ? >SER.B 92 47.79 30.93 60.26 48.77 31.55 62.37 48.28 31.24 61.31 2 0 1000.00 -999 ? >MET?B 93 46.06 28.95 57.52 42.81 26.82 59.45 44.43 27.89 58.49 2 0 1000.00 -999 ? >LEU.B 94 48.13 29.66 53.44 49.39 31.45 53.31 48.76 30.56 53.37 3 0 1000.00 -999 ? >MET?B 95 44.31 28.67 51.05 40.15 28.21 50.24 42.23 28.44 50.64 2 0 1000.00 -999 ? >VAL.B 96 45.62 28.47 47.48 47.72 28.11 46.94 46.67 28.29 47.21 3 0 1000.00 -999 ? >SER.B 97 42.91 28.61 44.83 41.71 30.36 46.01 42.31 29.48 45.42 2 0 1000.00 -999 ? >VAL.B 98 43.28 28.30 41.12 45.13 27.47 40.23 44.20 27.88 40.68 3 0 1000.00 -999 ? >SER.B 99 40.56 28.99 38.56 39.90 31.31 38.94 40.23 30.15 38.75 2 0 1000.00 -999 ? >GLY.B 100 40.30 29.10 34.80 39.63 28.69 35.11 39.97 28.90 34.96 1 0 1000.00 -999 ? >THR.B 101 38.30 28.00 31.82 37.11 29.48 30.66 37.70 28.74 31.24 2 0 1000.00 -999 ? >ALA.B 102 38.34 24.41 30.53 37.53 23.26 31.17 37.93 23.83 30.85 2 0 1000.00 -999 ? >VAL.B 103 38.62 24.44 26.73 39.68 26.38 26.51 39.15 25.41 26.62 3 0 1000.00 -999 ? >LYS.B 104 39.04 22.05 23.80 36.82 17.14 20.49 37.93 19.60 22.14 2 0 1000.00 -999 ? >THR.B 105 41.66 23.17 21.24 43.34 23.50 22.61 42.50 23.34 21.93 2 0 1000.00 -999 ? >ARG.B 106 40.40 22.22 14.29 38.23 24.44 14.12 39.31 23.33 14.21 2 0 1000.00 -999 ? >ARG.B 107 49.22 23.14 15.23 50.99 25.65 15.37 50.11 24.39 15.30 2 0 1000.00 -999 ? >ASN.B 108 46.53 27.16 13.56 45.38 28.29 14.96 45.96 27.72 14.26 2 0 1000.00 -999 ? >ILE.B 109 50.04 23.53 11.70 51.28 24.01 11.36 50.66 23.77 11.53 3 0 1000.00 -999 ? >MET?C 1 63.94 38.40 29.68 62.20 35.35 31.25 63.07 36.88 30.47 2 0 1000.00 -999 ? >GLN^C 2 59.76 41.80 27.37 60.36 42.17 25.36 60.06 41.98 26.37 2 0 1000.00 -999 ? >PHE^C 3 59.38 39.82 33.78 61.37 38.18 34.90 60.38 39.00 34.34 3 0 1000.00 -999 ? >SER.C 4 54.39 41.70 30.90 53.19 42.51 28.97 53.79 42.10 29.94 2 0 1000.00 -999 ? >THR.C 5 50.98 41.96 32.55 50.81 43.84 33.68 50.90 42.90 33.11 2 0 1000.00 -999 ? >THR.C 6 49.57 41.70 28.98 50.65 43.22 27.76 50.11 42.46 28.37 2 0 1000.00 -999 ? >PRO.C 7 46.63 39.22 26.96 48.71 38.93 27.80 47.67 39.07 27.38 3 0 1000.00 -999 ? >THR.C 8 50.48 38.84 24.20 48.64 38.95 22.94 49.56 38.89 23.57 2 0 1000.00 -999 ? >LEU.C 9 54.77 40.54 23.38 55.70 40.17 25.31 55.24 40.35 24.35 3 0 1000.00 -999 ? >GLU.C 10 50.46 44.37 20.15 49.50 46.30 20.08 49.98 45.33 20.11 2 0 1000.00 -999 ? >GLY.C 11 55.46 42.63 17.33 55.10 41.98 17.66 55.28 42.31 17.50 1 0 1000.00 -999 ? >LEU^C 12 56.65 38.79 19.73 58.60 39.52 20.42 57.62 39.15 20.08 3 0 1000.00 -999 ? >THR^C 13 54.04 35.75 18.25 53.93 34.56 16.35 53.98 35.15 17.30 2 0 1000.00 -999 ? >ILE^C 14 53.28 33.06 22.22 52.87 33.36 23.29 53.08 33.21 22.75 3 0 1000.00 -999 ? >VAL^C 15 55.38 29.73 19.57 57.34 30.14 18.60 56.36 29.93 19.09 3 0 1000.00 -999 ? >GLU^C 16 56.57 25.58 22.91 58.53 24.77 22.77 57.55 25.18 22.84 2 0 1000.00 -999 ? >TYR^C 17 51.24 29.20 25.41 50.13 31.39 24.09 50.69 30.29 24.75 3 0 1000.00 -999 ? >CYH^C 18 55.63 26.58 28.69 57.92 27.53 27.10 56.77 27.06 27.90 2 0 1000.00 -999 ? >GLY^C 19 53.24 26.70 31.70 53.56 27.41 31.53 53.40 27.05 31.62 1 0 1000.00 -999 ? >VAL^C 20 52.34 28.84 34.72 50.39 29.20 35.71 51.36 29.02 35.22 3 0 1000.00 -999 ? >VAL^C 21 55.33 30.08 36.72 56.76 30.47 35.13 56.05 30.28 35.92 3 0 1000.00 -999 ? >THR^C 22 55.46 31.86 40.11 54.30 30.33 41.19 54.88 31.09 40.65 2 0 1000.00 -999 ? >GLY^C 23 57.72 33.75 42.41 56.90 33.91 42.51 57.31 33.83 42.46 1 0 1000.00 -999 ? >GLU^C 24 56.70 33.18 47.51 56.48 31.40 46.46 56.59 32.29 46.99 2 0 1000.00 -999 ? >ALA^C 25 59.05 36.71 48.89 59.77 38.00 48.47 59.41 37.35 48.68 2 0 1000.00 -999 ? >ILE^C 26 57.60 35.83 53.38 56.66 34.95 54.02 57.13 35.39 53.70 3 0 1000.00 -999 ? >LEU^C 27 58.29 41.57 54.37 58.09 42.64 52.44 58.19 42.10 53.41 3 0 1000.00 -999 ? >GLY~C 28 59.00 39.01 58.26 58.87 39.78 58.00 58.93 39.39 58.13 1 0 1000.00 -999 ? >ALA~C 29 57.35 40.76 61.20 56.66 40.05 62.42 57.00 40.41 61.81 2 0 1000.00 -999 ? >ASN~C 30 62.10 41.76 62.31 62.97 40.97 60.52 62.54 41.36 61.42 2 0 1000.00 -999 ? >ILE~C 31 60.72 43.68 57.36 61.88 44.35 56.92 61.30 44.02 57.14 3 0 1000.00 -999 ? >PHE~C 32 54.47 44.78 59.12 52.05 46.04 58.45 53.26 45.41 58.79 3 0 1000.00 -999 ? >ARG~C 33 57.66 44.16 65.99 59.19 41.50 65.56 58.42 42.83 65.77 2 0 1000.00 -999 ? >ASP~C 34 62.05 47.77 61.31 63.01 46.57 62.87 62.53 47.17 62.09 2 0 1000.00 -999 ? >PHE~C 35 61.66 49.34 57.47 64.39 48.81 57.89 63.02 49.07 57.68 3 0 1000.00 -999 ? >PHE~C 36 55.62 47.99 56.38 56.49 47.22 53.80 56.05 47.60 55.09 3 0 1000.00 -999 ? >ALA.C 37 54.04 49.94 61.73 54.34 49.02 62.95 54.19 49.48 62.34 2 0 1000.00 -999 ? >GLY.C 38 54.85 53.53 62.63 54.61 53.34 61.91 54.73 53.44 62.27 1 0 1000.00 -999 ? >ILE.C 39 52.86 54.18 58.18 52.89 53.80 56.88 52.88 53.99 57.53 3 0 1000.00 -999 ? >ARG.C 40 52.84 61.43 61.74 55.72 60.89 60.73 54.28 61.16 61.24 2 0 1000.00 -999 ? >ASP.C 41 49.57 61.32 57.18 49.35 62.61 58.91 49.46 61.97 58.04 2 0 1000.00 -999 ? >ILE^C 42 48.25 59.17 52.73 47.06 58.97 51.96 47.65 59.07 52.34 3 0 1000.00 -999 ? >VAL^C 43 52.74 57.80 52.69 54.27 57.84 54.26 53.50 57.82 53.47 3 0 1000.00 -999 ? >GLY^C 44 53.74 57.06 49.10 54.29 57.14 49.72 54.02 57.10 49.41 1 0 1000.00 -999 ? >GLY.C 45 56.79 55.17 47.94 56.73 55.97 48.02 56.76 55.57 47.98 1 0 1000.00 -999 ? >ARG.C 46 57.60 60.89 44.69 56.16 59.41 42.42 56.88 60.15 43.56 2 0 1000.00 -999 ? >SER.C 47 58.84 59.58 51.01 57.33 61.49 50.65 58.08 60.54 50.83 2 0 1000.00 -999 ? >GLY.C 48 58.50 56.40 53.12 59.08 56.38 52.63 58.79 56.39 52.87 1 0 1000.00 -999 ? >ALA~C 49 61.01 54.04 54.77 61.37 54.04 56.28 61.19 54.04 55.52 2 0 1000.00 -999 ? >TYR~C 50 56.50 51.48 53.22 54.93 52.88 51.41 55.72 52.18 52.32 3 0 1000.00 -999 ? >GLU~C 51 59.30 52.63 47.91 57.81 51.36 47.04 58.55 52.00 47.48 2 0 1000.00 -999 ? >LYS~C 52 62.93 50.03 50.14 68.49 48.96 52.60 65.71 49.49 51.37 2 0 1000.00 -999 ? >GLU~C 53 61.84 47.55 54.05 63.86 46.94 54.28 62.85 47.25 54.17 2 0 1000.00 -999 ? >LEU~C 54 57.47 47.32 49.00 55.45 46.94 49.78 56.46 47.13 49.39 3 0 1000.00 -999 ? >ARG~C 55 62.74 49.67 44.26 64.90 50.68 42.28 63.82 50.17 43.27 2 0 1000.00 -999 ? >LYS~C 56 63.44 44.37 47.54 67.17 42.26 46.73 65.30 43.31 47.13 2 0 1000.00 -999 ? >ALA~C 57 60.66 41.81 48.09 59.52 41.89 49.07 60.09 41.85 48.58 2 0 1000.00 -999 ? >ARG~C 58 56.73 45.15 43.17 57.50 47.74 44.67 57.12 46.44 43.92 2 0 1000.00 -999 ? >GLU~C 59 65.29 42.57 42.62 66.76 44.10 42.25 66.03 43.33 42.43 2 0 1000.00 -999 ? >ILE~C 60 63.51 38.74 46.17 64.24 38.31 47.35 63.88 38.52 46.76 3 0 1000.00 -999 ? >ALA~C 61 59.98 37.51 43.59 58.63 38.10 44.02 59.30 37.81 43.81 2 0 1000.00 -999 ? >PHE~C 62 59.38 40.52 39.11 56.87 41.57 38.56 58.12 41.04 38.84 3 0 1000.00 -999 ? >GLU~C 63 66.56 37.03 40.63 67.09 34.99 40.62 66.82 36.01 40.63 2 0 1000.00 -999 ? >GLU~C 64 61.25 31.89 42.63 60.13 31.46 44.40 60.69 31.68 43.52 2 0 1000.00 -999 ? >LEU~C 65 58.73 34.96 38.49 57.00 35.43 37.28 57.86 35.20 37.88 3 0 1000.00 -999 ? >GLY~C 66 62.52 34.73 35.98 62.48 34.07 36.50 62.50 34.40 36.24 1 0 1000.00 -999 ? >SER~C 67 64.64 31.72 36.97 64.39 30.76 39.17 64.51 31.24 38.07 2 0 1000.00 -999 ? >GLN~C 68 60.29 28.98 38.86 58.33 28.73 39.66 59.31 28.85 39.26 2 0 1000.00 -999 ? >ALA~C 69 60.90 30.70 33.21 60.49 32.13 32.86 60.69 31.42 33.04 2 0 1000.00 -999 ? >ARG~C 70 68.14 31.73 33.19 67.78 33.40 35.76 67.96 32.56 34.47 2 0 1000.00 -999 ? >ALA~C 71 64.93 27.06 33.37 64.68 26.64 34.81 64.80 26.85 34.09 2 0 1000.00 -999 ? >LEU~C 72 60.44 26.41 31.60 59.11 25.31 33.00 59.78 25.86 32.30 3 0 1000.00 -999 ? >GLY.C 73 63.53 27.32 28.07 62.96 27.76 28.48 63.24 27.54 28.27 1 0 1000.00 -999 ? >ALA.C 74 61.22 30.39 27.97 60.03 30.59 28.93 60.63 30.49 28.45 2 0 1000.00 -999 ? >ASP.C 75 62.83 34.06 25.57 61.39 33.89 24.01 62.11 33.97 24.79 2 0 1000.00 -999 ? >ALA^C 76 59.19 35.83 28.27 58.41 36.50 27.18 58.80 36.16 27.73 2 0 1000.00 -999 ? >VAL^C 77 56.63 35.75 31.07 57.08 34.91 33.06 56.85 35.33 32.06 3 0 1000.00 -999 ? >VAL^C 78 53.28 37.17 30.00 53.21 36.40 27.93 53.24 36.78 28.97 3 0 1000.00 -999 ? >GLY^C 79 49.89 37.63 31.72 50.67 37.68 32.06 50.28 37.65 31.89 1 0 1000.00 -999 ? >ILE^C 80 53.00 39.27 34.99 54.39 39.37 35.38 53.69 39.32 35.18 3 0 1000.00 -999 ? >ASP^C 81 48.56 38.38 38.40 47.32 39.10 39.98 47.94 38.74 39.19 2 0 1000.00 -999 ? >ILE^C 82 52.21 41.82 41.45 53.23 42.60 41.31 52.72 42.21 41.38 3 0 1000.00 -999 ? >ASP^C 83 48.56 38.74 44.77 47.34 38.36 42.93 47.95 38.55 43.85 2 0 1000.00 -999 ? >TYR^C 84 51.29 43.33 47.62 53.10 44.73 45.99 52.19 44.03 46.81 3 0 1000.00 -999 ? >GLU^C 85 47.91 37.26 49.52 49.09 37.39 47.75 48.50 37.32 48.63 2 0 1000.00 -999 ? >THR^C 86 49.26 39.76 54.88 48.07 41.49 55.37 48.67 40.62 55.12 2 0 1000.00 -999 ? >VAL^C 87 49.69 36.52 56.85 50.91 35.50 55.33 50.30 36.01 56.09 3 0 1000.00 -999 ? >GLY.C 88 50.20 35.32 60.44 49.54 35.71 60.25 49.87 35.52 60.35 1 0 1000.00 -999 ? >GLN.C 89 49.18 34.03 65.37 48.76 33.38 67.37 48.97 33.71 66.37 2 0 1000.00 -999 ? >ASN.C 90 50.66 40.14 64.82 50.86 39.02 66.62 50.76 39.58 65.72 2 0 1000.00 -999 ? >GLY.C 91 48.89 40.46 60.33 49.56 40.55 60.83 49.23 40.51 60.58 1 0 1000.00 -999 ? >SER.C 92 52.48 41.63 60.46 52.17 43.06 62.37 52.33 42.35 61.42 2 0 1000.00 -999 ? >MET?C 93 53.97 39.40 57.83 55.24 35.61 59.23 54.61 37.51 58.53 2 0 1000.00 -999 ? >LEU.C 94 53.99 41.78 53.92 53.71 43.23 52.36 53.85 42.50 53.14 3 0 1000.00 -999 ? >MET?C 95 53.69 38.01 51.24 53.11 33.90 50.29 53.40 35.95 50.77 2 0 1000.00 -999 ? >VAL.C 96 54.47 39.29 47.76 55.53 41.16 47.25 55.00 40.22 47.50 3 0 1000.00 -999 ? >SER.C 97 53.38 36.79 45.13 52.18 34.71 44.86 52.78 35.75 44.99 2 0 1000.00 -999 ? >VAL.C 98 53.91 36.95 41.37 55.17 38.59 40.52 54.54 37.77 40.95 3 0 1000.00 -999 ? >SER.C 99 52.57 34.64 38.63 50.21 34.80 39.03 51.39 34.72 38.83 2 0 1000.00 -999 ? >GLY.C 100 52.58 34.48 34.83 52.71 33.71 35.13 52.64 34.09 34.98 1 0 1000.00 -999 ? >THR.C 101 52.82 32.17 31.87 51.04 31.47 30.83 51.93 31.82 31.35 2 0 1000.00 -999 ? >ALA.C 102 56.30 31.32 30.61 57.31 30.38 31.28 56.81 30.85 30.95 2 0 1000.00 -999 ? >VAL.C 103 56.51 31.49 26.78 54.91 33.02 26.53 55.71 32.26 26.66 3 0 1000.00 -999 ? >LYS.C 104 58.88 31.21 23.82 62.57 28.11 21.19 60.72 29.66 22.50 2 0 1000.00 -999 ? >THR.C 105 58.62 34.10 21.41 58.96 35.76 22.80 58.79 34.93 22.10 2 0 1000.00 -999 ? >ARG.C 106 61.62 32.03 16.41 63.46 30.67 14.30 62.54 31.35 15.36 2 0 1000.00 -999 ? >ARG.C 107 60.83 41.14 15.12 59.02 43.64 14.89 59.93 42.39 15.00 2 0 1000.00 -999 ? >ASN.C 108 56.12 39.78 13.48 54.66 39.00 14.87 55.39 39.39 14.18 2 0 1000.00 -999 ? >ILE.C 109 60.69 41.57 11.09 60.65 42.84 10.73 60.67 42.20 10.91 3 0 1000.00 -999 ? >MET?D 1 51.14 59.41 28.77 53.20 57.46 31.48 52.17 58.43 30.13 2 0 1000.00 -999 ? >GLN^D 2 47.39 56.16 27.06 46.84 56.89 25.13 47.12 56.53 26.09 2 0 1000.00 -999 ? >PHE^D 3 48.02 55.87 33.84 50.15 57.32 34.95 49.09 56.60 34.40 3 0 1000.00 -999 ? >SER.D 4 44.78 51.73 31.00 43.63 50.74 29.09 44.21 51.23 30.04 2 0 1000.00 -999 ? >THR.D 5 43.53 48.50 32.60 41.71 48.96 33.78 42.62 48.73 33.19 2 0 1000.00 -999 ? >THR.D 6 43.25 47.04 29.08 42.14 48.53 27.96 42.70 47.79 28.52 2 0 1000.00 -999 ? >PRO.D 7 44.69 43.51 27.08 45.63 45.38 27.89 45.16 44.44 27.49 3 0 1000.00 -999 ? >THR.D 8 46.31 47.04 24.30 45.86 45.32 22.95 46.08 46.18 23.63 2 0 1000.00 -999 ? >LEU.D 9 46.08 51.60 23.34 46.73 52.18 25.41 46.40 51.89 24.37 3 0 1000.00 -999 ? >GLU.D 10 40.99 48.83 20.44 39.08 48.25 19.74 40.03 48.54 20.09 2 0 1000.00 -999 ? >GLY.D 11 44.29 52.82 17.31 44.81 52.35 17.73 44.55 52.59 17.52 1 0 1000.00 -999 ? >LEU^D 12 48.31 53.08 19.77 47.67 54.96 20.72 47.99 54.02 20.24 3 0 1000.00 -999 ? >THR^D 13 50.48 49.67 18.26 50.61 49.46 16.08 50.55 49.56 17.17 2 0 1000.00 -999 ? >ILE^D 14 52.59 48.03 22.30 52.22 47.68 23.47 52.41 47.85 22.88 3 0 1000.00 -999 ? >VAL^D 15 56.37 49.15 19.59 56.36 51.10 18.53 56.37 50.13 19.06 3 0 1000.00 -999 ? >GLU^D 16 60.79 48.31 23.22 62.55 49.48 23.60 61.67 48.89 23.41 2 0 1000.00 -999 ? >TYR^D 17 55.86 44.84 25.37 53.47 44.40 24.02 54.67 44.62 24.70 3 0 1000.00 -999 ? >CYH^D 18 59.61 48.14 28.81 60.28 50.20 27.07 59.94 49.17 27.94 2 0 1000.00 -999 ? >GLY^D 19 58.72 46.00 31.84 58.16 46.49 31.62 58.44 46.25 31.73 1 0 1000.00 -999 ? >VAL^D 20 56.41 45.82 34.84 55.39 44.00 35.49 55.90 44.91 35.16 3 0 1000.00 -999 ? >VAL^D 21 56.11 49.04 36.85 56.19 50.49 35.18 56.15 49.77 36.02 3 0 1000.00 -999 ? >THR^D 22 54.55 49.71 40.25 54.88 48.01 41.62 54.71 48.86 40.94 2 0 1000.00 -999 ? >GLY^D 23 53.21 52.42 42.52 52.87 51.64 42.67 53.04 52.03 42.59 1 0 1000.00 -999 ? >GLU^D 24 53.54 50.98 47.32 54.89 49.79 46.23 54.22 50.38 46.78 2 0 1000.00 -999 ? >ALA^D 25 50.79 54.32 49.13 49.89 55.48 48.74 50.34 54.90 48.94 2 0 1000.00 -999 ? >ILE^D 26 51.04 52.54 53.45 51.75 51.50 53.98 51.40 52.02 53.71 3 0 1000.00 -999 ? >LEU^D 27 45.67 54.91 54.50 44.55 55.08 52.68 45.11 54.99 53.59 3 0 1000.00 -999 ? >GLY~D 28 48.27 54.99 58.39 47.48 55.06 58.15 47.87 55.03 58.27 1 0 1000.00 -999 ? >ALA~D 29 46.15 53.75 61.32 46.70 53.05 62.55 46.42 53.40 61.93 2 0 1000.00 -999 ? >ASN~D 30 46.53 58.47 62.56 47.39 59.29 60.77 46.96 58.88 61.67 2 0 1000.00 -999 ? >ILE~D 31 44.40 58.05 57.57 44.17 59.40 57.13 44.29 58.72 57.35 3 0 1000.00 -999 ? >PHE~D 32 41.23 52.42 59.22 39.23 50.51 58.72 40.23 51.46 58.97 3 0 1000.00 -999 ? >ARG~D 33 42.77 54.98 66.02 45.75 55.67 65.67 44.26 55.32 65.85 2 0 1000.00 -999 ? >ASP~D 34 40.81 60.48 61.58 42.05 60.90 63.30 41.43 60.69 62.44 2 0 1000.00 -999 ? >PHE~D 35 39.35 60.60 57.58 40.90 62.89 58.07 40.12 61.74 57.82 3 0 1000.00 -999 ? >PHE~D 36 38.63 54.51 56.42 39.72 55.16 53.92 39.18 54.84 55.17 3 0 1000.00 -999 ? >ALA.D 37 36.32 53.65 61.75 37.22 53.84 63.00 36.77 53.74 62.38 2 0 1000.00 -999 ? >GLY.D 38 33.04 55.46 62.43 33.15 55.18 61.72 33.09 55.32 62.08 1 0 1000.00 -999 ? >ILE.D 39 31.82 53.99 57.96 32.26 54.08 56.72 32.04 54.04 57.34 3 0 1000.00 -999 ? >ARG.D 40 24.37 55.24 61.55 25.82 56.85 63.76 25.10 56.05 62.66 2 0 1000.00 -999 ? >ASP.D 41 24.16 52.88 56.87 22.70 52.87 58.49 23.43 52.88 57.68 2 0 1000.00 -999 ? >ILE^D 42 25.89 51.11 52.39 25.73 49.93 51.60 25.81 50.52 51.99 3 0 1000.00 -999 ? >VAL^D 43 28.58 55.00 52.52 29.03 56.50 54.11 28.80 55.75 53.32 3 0 1000.00 -999 ? >GLY^D 44 29.80 55.81 49.00 29.90 56.36 49.64 29.85 56.09 49.32 1 0 1000.00 -999 ? >GLY.D 45 32.61 58.13 47.92 31.83 58.29 48.03 32.22 58.21 47.98 1 0 1000.00 -999 ? >ARG.D 46 29.35 60.09 43.90 27.21 58.18 42.71 28.28 59.14 43.31 2 0 1000.00 -999 ? >SER.D 47 29.03 61.41 50.80 26.76 60.62 50.37 27.89 61.02 50.59 2 0 1000.00 -999 ? >GLY.D 48 31.89 60.09 52.97 32.12 60.65 52.50 32.00 60.37 52.74 1 0 1000.00 -999 ? >ALA.D 49 34.87 61.58 54.83 34.91 61.75 56.32 34.89 61.66 55.58 2 0 1000.00 -999 ? >TYR~D 50 35.78 56.53 53.00 33.97 55.42 51.20 34.87 55.98 52.10 3 0 1000.00 -999 ? >GLU~D 51 35.99 59.47 47.57 36.63 57.54 46.93 36.31 58.51 47.25 2 0 1000.00 -999 ? >LYS~D 52 39.37 62.10 49.93 40.53 64.98 54.87 39.95 63.54 52.40 2 0 1000.00 -999 ? >GLU~D 53 41.27 60.12 54.15 42.39 61.92 54.27 41.83 61.02 54.21 2 0 1000.00 -999 ? >LEU~D 54 40.28 56.10 48.99 39.80 54.06 49.71 40.04 55.08 49.35 3 0 1000.00 -999 ? >ARG~D 55 40.19 62.38 44.46 38.61 64.03 46.53 39.40 63.20 45.50 2 0 1000.00 -999 ? >LYS~D 56 45.02 60.87 47.75 48.46 63.75 51.50 46.74 62.31 49.62 2 0 1000.00 -999 ? >ALA~D 57 46.43 57.35 48.18 45.85 56.28 49.14 46.14 56.82 48.66 2 0 1000.00 -999 ? >ARG~D 58 42.11 54.99 43.22 39.90 55.85 45.20 41.00 55.42 44.21 2 0 1000.00 -999 ? >GLU~D 59 47.06 62.36 43.01 46.57 64.25 43.92 46.82 63.30 43.47 2 0 1000.00 -999 ? >ILE~D 60 50.41 59.09 46.40 50.83 59.54 47.53 50.62 59.32 46.97 3 0 1000.00 -999 ? >ALA~D 61 50.31 55.47 43.78 49.29 54.38 44.07 49.80 54.93 43.92 2 0 1000.00 -999 ? >PHE~D 62 47.36 55.95 39.23 45.58 53.86 38.55 46.47 54.91 38.89 3 0 1000.00 -999 ? >GLU~D 63 53.44 61.56 40.54 53.37 63.49 41.43 53.40 62.52 40.98 2 0 1000.00 -999 ? >GLU~D 64 56.06 55.07 42.87 55.93 54.17 44.80 55.99 54.62 43.83 2 0 1000.00 -999 ? >LEU~D 65 52.20 53.90 38.49 51.42 52.16 37.44 51.81 53.03 37.96 3 0 1000.00 -999 ? >GLY~D 66 53.92 57.16 35.97 54.50 56.96 36.50 54.21 57.06 36.23 1 0 1000.00 -999 ? >SER~D 67 57.30 58.41 37.06 58.71 58.44 38.97 58.01 58.43 38.01 2 0 1000.00 -999 ? >GLN~D 68 59.18 52.84 38.55 58.30 51.35 39.83 58.74 52.09 39.19 2 0 1000.00 -999 ? >ALA~D 69 57.28 54.50 33.38 55.80 54.50 32.99 56.54 54.50 33.18 2 0 1000.00 -999 ? >ARG~D 70 57.50 61.60 33.21 55.78 61.53 35.78 56.64 61.56 34.49 2 0 1000.00 -999 ? >ALA~D 71 62.22 56.82 33.66 62.51 56.35 35.09 62.37 56.58 34.37 2 0 1000.00 -999 ? >LEU~D 72 61.27 52.57 31.47 61.65 50.94 32.91 61.46 51.76 32.19 3 0 1000.00 -999 ? >GLY.D 73 61.11 56.19 28.33 60.60 55.68 28.69 60.85 55.94 28.51 1 0 1000.00 -999 ? >ALA.D 74 57.63 54.65 28.12 57.07 53.66 29.11 57.35 54.16 28.61 2 0 1000.00 -999 ? >ASP.D 75 54.67 57.38 25.72 54.36 55.87 24.23 54.51 56.62 24.97 2 0 1000.00 -999 ? >ALA^D 76 51.87 54.44 28.38 51.02 53.91 27.25 51.45 54.17 27.81 2 0 1000.00 -999 ? >VAL^D 77 51.14 51.88 31.16 51.96 52.05 33.22 51.55 51.97 32.19 3 0 1000.00 -999 ? >VAL^D 78 48.75 49.16 30.07 49.42 48.89 27.97 49.09 49.03 29.02 3 0 1000.00 -999 ? >GLY^D 79 47.39 46.04 31.74 47.51 46.81 32.06 47.45 46.43 31.90 1 0 1000.00 -999 ? >ILE^D 80 46.67 49.55 35.02 46.95 50.88 35.34 46.81 50.21 35.18 3 0 1000.00 -999 ? >ASP^D 81 46.07 45.02 38.42 44.81 44.10 39.89 45.44 44.56 39.15 2 0 1000.00 -999 ? >ILE^D 82 43.97 49.59 41.41 43.66 50.99 41.24 43.81 50.29 41.33 3 0 1000.00 -999 ? >ASP^D 83 45.68 45.17 44.85 45.94 44.06 43.02 45.81 44.62 43.93 2 0 1000.00 -999 ? >TYR^D 84 41.99 49.05 47.48 41.24 51.02 45.64 41.62 50.04 46.56 3 0 1000.00 -999 ? >GLU^D 85 46.73 43.23 51.55 45.60 41.47 51.07 46.17 42.35 51.31 2 0 1000.00 -999 ? >THR^D 86 44.69 45.70 54.81 42.78 45.74 55.87 43.74 45.72 55.34 2 0 1000.00 -999 ? >VAL^D 87 47.94 45.45 56.78 49.29 46.44 55.32 48.62 45.95 56.05 3 0 1000.00 -999 ? >GLY.D 88 48.99 45.67 60.47 48.51 45.07 60.29 48.75 45.37 60.38 1 0 1000.00 -999 ? >GLN.D 89 49.91 44.32 65.58 49.92 42.74 67.04 49.91 43.53 66.31 2 0 1000.00 -999 ? >ASN.D 90 44.45 47.26 64.96 45.71 47.20 66.71 45.08 47.23 65.83 2 0 1000.00 -999 ? >GLY.D 91 43.57 45.54 60.46 43.70 46.20 60.93 43.64 45.87 60.69 1 0 1000.00 -999 ? >SER.D 92 43.68 49.35 60.38 42.27 49.56 62.30 42.97 49.46 61.34 2 0 1000.00 -999 ? >MET?D 93 46.33 50.14 57.80 50.09 50.00 59.78 48.21 50.07 58.79 2 0 1000.00 -999 ? >LEU.D 94 44.32 51.12 53.84 42.77 50.61 52.37 43.54 50.86 53.11 3 0 1000.00 -999 ? >MET?D 95 47.81 49.65 51.19 51.51 47.71 50.40 49.66 48.68 50.80 2 0 1000.00 -999 ? >VAL.D 96 46.90 50.78 47.72 45.49 52.43 47.40 46.20 51.60 47.56 3 0 1000.00 -999 ? >SER.D 97 49.17 49.24 45.08 49.14 46.91 45.71 49.15 48.08 45.40 2 0 1000.00 -999 ? >VAL.D 98 49.06 49.85 41.37 47.94 51.59 40.57 48.50 50.72 40.97 3 0 1000.00 -999 ? >SER.D 99 50.95 47.73 38.79 49.94 45.53 39.11 50.44 46.63 38.95 2 0 1000.00 -999 ? >GLY.D 100 51.04 47.65 34.99 51.85 47.62 35.29 51.44 47.64 35.14 1 0 1000.00 -999 ? >THR.D 101 53.34 47.32 31.97 53.46 45.36 30.90 53.40 46.34 31.44 2 0 1000.00 -999 ? >ALA.D 102 55.38 50.29 30.69 56.70 50.78 31.31 56.04 50.54 31.00 2 0 1000.00 -999 ? >VAL.D 103 55.20 50.58 26.85 53.24 49.54 26.60 54.22 50.06 26.72 3 0 1000.00 -999 ? >LYS.D 104 56.19 52.75 23.85 61.74 54.03 25.09 58.97 53.39 24.47 2 0 1000.00 -999 ? >THR.D 105 53.34 53.32 21.43 51.86 54.05 22.87 52.60 53.68 22.15 2 0 1000.00 -999 ? >ARG.D 106 54.50 53.64 14.40 54.86 50.58 14.08 54.68 52.11 14.24 2 0 1000.00 -999 ? >ARG.D 107 47.14 57.67 14.93 44.49 56.09 14.89 45.81 56.88 14.91 2 0 1000.00 -999 ? >ASN.D 108 47.19 52.66 13.70 47.61 50.91 14.89 47.40 51.78 14.30 2 0 1000.00 -999 ? >ILE.D 109 46.50 57.28 11.14 45.24 57.53 10.75 45.87 57.40 10.95 3 0 1000.00 -999 ? >MET?E 1 26.07 53.63 29.98 29.80 55.31 31.39 27.93 54.47 30.69 2 0 1000.00 -999 ? >GLN^E 2 28.71 48.88 27.21 27.42 48.45 25.58 28.07 48.67 26.39 2 0 1000.00 -999 ? >PHE^E 3 29.33 50.17 33.87 28.70 52.72 34.94 29.02 51.44 34.41 3 0 1000.00 -999 ? >SER.E 4 32.28 45.78 30.95 32.78 44.24 29.09 32.53 45.01 30.02 2 0 1000.00 -999 ? >THR.E 5 34.90 43.52 32.55 33.95 41.91 33.72 34.42 42.72 33.13 2 0 1000.00 -999 ? >THR.E 6 36.10 42.94 29.00 34.38 42.29 27.77 35.24 42.61 28.39 2 0 1000.00 -999 ? >PRO.E 7 40.07 43.12 27.21 38.50 44.58 27.84 39.28 43.85 27.52 3 0 1000.00 -999 ? >THR.E 8 37.20 45.58 24.21 38.65 44.66 22.85 37.92 45.12 23.53 2 0 1000.00 -999 ? >LEU.E 9 32.76 46.86 23.29 32.40 47.63 25.33 32.58 47.24 24.31 3 0 1000.00 -999 ? >GLU.E 10 33.86 41.21 20.46 33.89 39.20 19.85 33.88 40.21 20.15 2 0 1000.00 -999 ? >GLY.E 11 31.12 45.47 17.19 31.74 45.85 17.61 31.43 45.66 17.40 1 0 1000.00 -999 ? >LEU^E 12 32.12 49.24 19.87 30.15 49.93 20.52 31.13 49.59 20.20 3 0 1000.00 -999 ? >THR^E 13 35.86 50.46 18.17 37.09 50.43 16.33 36.47 50.45 17.25 2 0 1000.00 -999 ? >ILE^E 14 38.23 51.84 22.24 38.48 51.40 23.51 38.36 51.62 22.87 3 0 1000.00 -999 ? >VAL^E 15 38.38 55.84 19.58 36.55 56.51 18.60 37.46 56.18 19.09 3 0 1000.00 -999 ? >GLU^E 16 40.61 59.71 23.14 40.09 61.68 23.73 40.35 60.69 23.44 2 0 1000.00 -999 ? >TYR^E 17 42.28 53.99 25.50 41.90 51.56 24.17 42.09 52.77 24.84 3 0 1000.00 -999 ? >CYH^E 18 40.35 58.65 28.87 38.60 60.12 27.20 39.48 59.38 28.04 2 0 1000.00 -999 ? >GLY^E 19 42.12 57.25 31.95 41.50 56.83 31.71 41.81 57.04 31.83 1 0 1000.00 -999 ? >VAL^E 20 41.50 54.90 34.85 42.73 53.37 35.74 42.11 54.13 35.29 3 0 1000.00 -999 ? >VAL^E 21 38.31 55.52 36.82 36.85 55.95 35.20 37.58 55.73 36.01 3 0 1000.00 -999 ? >THR^E 22 37.21 54.17 40.25 39.14 54.62 41.29 38.17 54.39 40.77 2 0 1000.00 -999 ? >GLY^E 23 34.16 53.91 42.51 34.73 53.28 42.64 34.44 53.60 42.58 1 0 1000.00 -999 ? >GLU^E 24 35.43 53.73 47.08 37.24 54.30 46.15 36.33 54.02 46.62 2 0 1000.00 -999 ? >ALA^E 25 31.35 52.04 48.94 29.91 51.66 48.56 30.63 51.85 48.75 2 0 1000.00 -999 ? >ILE^E 26 33.00 51.85 53.33 34.29 52.03 53.97 33.65 51.94 53.65 3 0 1000.00 -999 ? >LEU^E 27 29.35 47.31 54.18 28.56 46.20 52.52 28.95 46.75 53.35 3 0 1000.00 -999 ? >GLY~E 28 29.86 49.80 58.19 29.55 49.09 57.96 29.71 49.44 58.08 1 0 1000.00 -999 ? >ALA~E 29 30.25 47.49 61.19 31.13 47.78 62.43 30.69 47.64 61.81 2 0 1000.00 -999 ? >ASN~E 30 25.82 49.21 62.38 25.37 50.28 60.57 25.59 49.74 61.47 2 0 1000.00 -999 ? >ILE~E 31 25.77 46.97 57.25 24.51 47.29 56.59 25.14 47.13 56.92 3 0 1000.00 -999 ? >PHE~E 32 30.13 42.37 59.15 31.37 39.91 58.74 30.75 41.14 58.95 3 0 1000.00 -999 ? >ARG~E 33 27.96 44.60 65.87 28.54 47.58 65.41 28.25 46.09 65.64 2 0 1000.00 -999 ? >ASP~E 34 22.20 44.31 61.37 22.38 45.63 63.13 22.29 44.97 62.25 2 0 1000.00 -999 ? >PHE~E 35 21.91 42.87 57.16 19.78 44.69 57.44 20.85 43.78 57.30 3 0 1000.00 -999 ? >PHE~E 36 27.50 40.49 56.19 27.10 41.94 53.83 27.30 41.22 55.01 3 0 1000.00 -999 ? >ALA.E 37 27.53 37.93 61.50 27.76 38.83 62.70 27.64 38.38 62.10 2 0 1000.00 -999 ? >GLY.E 38 24.65 35.53 62.08 25.01 35.52 61.41 24.83 35.53 61.75 1 0 1000.00 -999 ? >ILE.E 39 25.65 33.81 57.55 25.75 34.23 56.39 25.70 34.02 56.97 3 0 1000.00 -999 ? >ARG.E 40 23.41 28.68 62.86 23.26 25.65 62.46 23.34 27.17 62.66 2 0 1000.00 -999 ? >ASP.E 41 24.17 26.39 56.61 23.71 25.04 58.21 23.94 25.71 57.41 2 0 1000.00 -999 ? >ILE^E 42 26.60 27.33 52.15 27.71 26.83 51.41 27.15 27.08 51.78 3 0 1000.00 -999 ? >VAL^E 43 23.81 31.23 52.16 22.54 32.23 53.70 23.17 31.73 52.93 3 0 1000.00 -999 ? >GLY^E 44 23.56 32.52 48.60 23.10 32.86 49.18 23.33 32.69 48.89 1 0 1000.00 -999 ? >GLY.E 45 22.71 35.99 47.38 22.25 35.30 47.33 22.48 35.65 47.36 1 0 1000.00 -999 ? >ARG.E 46 19.58 32.67 42.81 18.59 30.55 40.81 19.09 31.61 41.81 2 0 1000.00 -999 ? >SER.E 47 18.11 34.05 49.56 18.53 31.71 49.00 18.32 32.88 49.28 2 0 1000.00 -999 ? >GLY.E 48 20.38 35.92 52.00 19.91 36.34 51.48 20.14 36.13 51.74 1 0 1000.00 -999 ? >ALA~E 49 19.38 39.20 53.63 18.76 39.39 55.03 19.07 39.29 54.33 2 0 1000.00 -999 ? >TYR~E 50 24.55 38.37 52.72 25.16 36.35 50.91 24.85 37.36 51.81 3 0 1000.00 -999 ? >GLU~E 51 21.92 39.58 47.24 23.94 39.75 46.64 22.93 39.66 46.94 2 0 1000.00 -999 ? >LYS~E 52 20.42 43.64 49.36 17.99 45.88 54.13 19.20 44.76 51.74 2 0 1000.00 -999 ? >GLU~E 53 22.71 44.79 53.74 21.68 46.65 53.94 22.20 45.72 53.84 2 0 1000.00 -999 ? >LEU~E 54 26.45 42.68 48.67 28.16 41.70 49.68 27.31 42.19 49.17 3 0 1000.00 -999 ? >ARG~E 55 20.29 44.31 44.23 18.46 42.85 46.26 19.37 43.58 45.24 2 0 1000.00 -999 ? >LYS~E 56 23.33 48.54 47.41 20.97 52.10 50.87 22.15 50.32 49.14 2 0 1000.00 -999 ? >ALA~E 57 27.08 49.00 47.92 27.98 48.16 48.81 27.53 48.58 48.37 2 0 1000.00 -999 ? >ARG~E 58 28.26 44.05 43.12 27.03 41.98 45.03 27.65 43.01 44.08 2 0 1000.00 -999 ? >GLU~E 59 22.91 49.03 43.12 20.86 49.09 43.78 21.89 49.06 43.45 2 0 1000.00 -999 ? >ILE~E 60 26.93 53.46 46.34 26.71 53.96 47.55 26.82 53.71 46.94 3 0 1000.00 -999 ? >ALA~E 61 30.20 52.27 43.59 30.95 51.00 43.96 30.57 51.63 43.77 2 0 1000.00 -999 ? >PHE~E 62 28.92 49.47 39.07 30.34 47.12 38.47 29.63 48.30 38.77 3 0 1000.00 -999 ? >GLU~E 63 24.95 56.16 40.80 23.54 55.94 42.38 24.25 56.05 41.59 2 0 1000.00 -999 ? >GLU~E 64 32.35 57.39 42.95 33.20 56.72 44.79 32.78 57.05 43.87 2 0 1000.00 -999 ? >LEU~E 65 32.42 53.50 38.41 33.86 52.23 37.42 33.14 52.87 37.91 3 0 1000.00 -999 ? >GLY~E 66 29.67 56.12 36.05 30.17 56.58 36.49 29.92 56.35 36.27 1 0 1000.00 -999 ? >SER~E 67 29.76 59.85 36.77 29.56 59.94 39.11 29.66 59.90 37.94 2 0 1000.00 -999 ? >GLN~E 68 35.02 59.43 38.94 36.55 58.24 39.80 35.78 58.84 39.37 2 0 1000.00 -999 ? >ALA~E 69 33.55 58.45 33.35 33.02 57.07 32.92 33.29 57.76 33.14 2 0 1000.00 -999 ? >ARG~E 70 26.94 60.81 32.69 26.19 58.51 34.62 26.57 59.66 33.66 2 0 1000.00 -999 ? >ALA~E 71 32.93 63.94 33.52 33.38 64.14 34.98 33.15 64.04 34.25 2 0 1000.00 -999 ? >LEU~E 72 36.75 61.63 31.56 38.27 61.29 33.08 37.51 61.46 32.32 3 0 1000.00 -999 ? >GLY.E 73 33.63 62.72 28.12 33.74 62.06 28.57 33.68 62.39 28.35 1 0 1000.00 -999 ? >ALA.E 74 33.56 58.90 28.12 34.37 58.04 29.12 33.96 58.47 28.62 2 0 1000.00 -999 ? >ASP.E 75 30.00 56.93 25.62 31.28 56.16 24.06 30.64 56.55 24.84 2 0 1000.00 -999 ? >ALA^E 76 31.86 53.42 28.42 31.91 52.43 27.25 31.88 52.92 27.83 2 0 1000.00 -999 ? >VAL^E 77 34.06 51.86 31.12 34.14 52.69 33.18 34.10 52.28 32.15 3 0 1000.00 -999 ? >VAL^E 78 35.88 48.70 30.06 36.47 49.19 27.99 36.17 48.94 29.02 3 0 1000.00 -999 ? >GLY^E 79 38.44 46.40 31.68 37.76 46.75 32.01 38.10 46.58 31.84 1 0 1000.00 -999 ? >ILE^E 80 34.92 46.84 34.96 33.70 47.58 35.41 34.31 47.21 35.18 3 0 1000.00 -999 ? >ASP^E 81 38.96 45.12 38.55 40.13 43.32 38.38 39.55 44.22 38.46 2 0 1000.00 -999 ? >ILE^E 82 33.93 44.10 41.40 32.49 44.23 41.33 33.21 44.17 41.36 3 0 1000.00 -999 ? >ASP^E 83 38.68 44.28 44.78 39.97 43.53 43.15 39.33 43.90 43.96 2 0 1000.00 -999 ? >TYR^E 84 33.72 42.10 47.40 31.70 42.08 45.45 32.71 42.09 46.42 3 0 1000.00 -999 ? >GLU^E 85 40.50 44.43 49.88 41.78 42.91 50.71 41.14 43.67 50.29 2 0 1000.00 -999 ? >THR^E 86 37.42 43.37 54.69 37.76 41.67 56.10 37.59 42.52 55.40 2 0 1000.00 -999 ? >VAL^E 87 38.81 46.32 56.68 38.36 48.05 55.34 38.58 47.18 56.01 3 0 1000.00 -999 ? >GLY.E 88 39.00 47.40 60.31 39.36 46.73 60.15 39.18 47.07 60.23 1 0 1000.00 -999 ? >GLN.E 89 37.84 47.87 64.75 37.95 49.29 63.09 37.89 48.58 63.92 2 0 1000.00 -999 ? >ASN.E 90 35.83 43.68 64.77 36.32 44.58 66.67 36.07 44.13 65.72 2 0 1000.00 -999 ? >GLY.E 91 37.18 42.30 60.25 36.60 42.62 60.73 36.89 42.46 60.49 1 0 1000.00 -999 ? >SER.E 92 33.58 43.67 60.29 33.00 42.65 62.40 33.29 43.16 61.35 2 0 1000.00 -999 ? >MET?E 93 33.74 46.37 57.67 35.10 49.81 59.77 34.42 48.09 58.72 2 0 1000.00 -999 ? >LEU.E 94 32.56 44.62 53.58 32.79 42.67 52.59 32.68 43.65 53.08 3 0 1000.00 -999 ? >MET?E 95 34.90 47.83 51.16 37.96 50.79 50.53 36.43 49.31 50.84 2 0 1000.00 -999 ? >VAL.E 96 33.58 47.22 47.63 31.57 46.42 47.18 32.58 46.82 47.41 3 0 1000.00 -999 ? >SER.E 97 35.82 48.83 44.99 37.98 47.82 45.40 36.90 48.33 45.19 2 0 1000.00 -999 ? >VAL.E 98 35.36 49.06 41.25 33.37 48.44 40.44 34.36 48.75 40.85 3 0 1000.00 -999 ? >SER.E 99 37.92 50.37 38.76 39.84 48.92 39.20 38.88 49.64 38.98 2 0 1000.00 -999 ? >GLY.E 100 38.03 50.39 34.96 38.40 51.11 35.28 38.21 50.75 35.12 1 0 1000.00 -999 ? >THR.E 101 39.18 52.49 32.01 41.11 52.01 31.02 40.14 52.25 31.52 2 0 1000.00 -999 ? >ALA.E 102 36.92 55.25 30.70 36.75 56.56 31.37 36.83 55.90 31.04 2 0 1000.00 -999 ? >VAL.E 103 36.63 55.25 26.87 37.04 53.02 26.63 36.84 54.13 26.75 3 0 1000.00 -999 ? >LYS.E 104 34.88 56.83 23.88 36.68 62.94 24.19 35.78 59.89 24.04 2 0 1000.00 -999 ? >THR.E 105 33.51 54.29 21.39 32.41 53.00 22.77 32.96 53.64 22.08 2 0 1000.00 -999 ? >ARG.E 106 33.22 54.97 14.29 35.97 53.62 13.93 34.59 54.30 14.11 2 0 1000.00 -999 ? >ARG.E 107 27.83 49.71 15.28 28.06 46.64 15.20 27.95 48.17 15.24 2 0 1000.00 -999 ? >ASN.E 108 32.01 48.34 13.64 33.81 48.28 14.82 32.91 48.31 14.23 2 0 1000.00 -999 ? >ILE.E 109 27.17 48.86 11.43 26.59 47.64 10.98 26.88 48.25 11.21 3 0 1000.00 -999 ?