REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-OCT-09 3KDQ COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; SOURCE 3 ORGANISM_TAXID: 1717; SOURCE 4 GENE: CORYNEBACTERIUM DIPHTHERIAE, DIP1984; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR R.ZHANG,R.WU,K.TAN,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 74 8 HET MSE A 118 8 HET MSE B 1 8 HET MSE B 74 8 HET MSE B 118 8 HET MSE C 1 8 HET MSE C 74 8 HET MSE C 118 8 HET MSE D 1 8 HET MSE D 74 8 HET MSE D 118 8 >ALA.A 0 91.25 59.52 9.32 91.02 60.66 10.29 91.13 60.09 9.80 2 0 1000.00 -999 ? >MET?A 1 88.28 58.99 6.96 89.26 54.86 6.93 88.77 56.93 6.95 2 0 1000.00 -999 ? >TYR~A 2 83.65 59.90 4.71 83.41 62.52 3.80 83.53 61.21 4.26 3 0 1000.00 -999 ? >LEU~A 3 81.55 55.78 9.35 80.59 54.51 10.79 81.07 55.14 10.07 3 0 1000.00 -999 ? >ALA~A 4 81.88 53.76 5.33 81.23 54.36 4.10 81.56 54.06 4.72 2 0 1000.00 -999 ? >GLU~A 5 86.14 55.69 3.12 87.54 57.28 2.92 86.84 56.49 3.02 2 0 1000.00 -999 ? >ALA~A 6 86.27 52.08 7.81 85.95 52.81 9.10 86.11 52.44 8.46 2 0 1000.00 -999 ? >LEU~A 7 82.17 49.53 7.09 81.02 50.48 8.72 81.60 50.01 7.91 3 0 1000.00 -999 ? >ALA~A 8 85.40 48.30 4.20 85.61 49.21 2.99 85.50 48.76 3.60 2 0 1000.00 -999 ? >GLN~A 9 90.47 50.12 5.45 91.48 51.78 6.31 90.97 50.95 5.88 2 0 1000.00 -999 ? >ARG~A 10 85.15 45.35 11.69 82.77 44.58 9.90 83.96 44.97 10.79 2 0 1000.00 -999 ? >VAL~A 11 86.20 43.55 6.20 84.48 43.30 4.91 85.34 43.42 5.55 3 0 1000.00 -999 ? >GLU~A 12 91.35 44.36 2.72 90.98 43.49 0.83 91.17 43.93 1.77 2 0 1000.00 -999 ? >ALA~A 13 91.58 43.01 7.25 91.72 44.02 8.40 91.65 43.52 7.82 2 0 1000.00 -999 ? >GLN~A 14 87.76 41.49 9.98 86.74 41.22 11.83 87.25 41.35 10.91 2 0 1000.00 -999 ? >ARG~A 15 89.10 38.77 1.51 91.64 40.17 0.51 90.37 39.47 1.01 2 0 1000.00 -999 ? >ARG~A 16 95.50 42.09 4.02 98.50 42.18 4.80 97.00 42.14 4.41 2 0 1000.00 -999 ? >TYR~A 17 93.04 37.54 11.28 93.34 36.25 13.73 93.19 36.90 12.51 3 0 1000.00 -999 ? >SER~A 18 91.72 34.59 8.02 89.94 33.30 6.98 90.83 33.95 7.50 2 0 1000.00 -999 ? >GLU~A 19 92.85 34.65 2.86 92.95 35.77 1.09 92.90 35.21 1.97 2 0 1000.00 -999 ? >LEU~A 20 97.74 35.93 7.47 98.45 37.61 6.29 98.10 36.77 6.88 3 0 1000.00 -999 ? >ASN~A 21 94.54 32.65 10.31 94.26 31.62 12.16 94.40 32.13 11.24 2 0 1000.00 -999 ? >GLN~A 22 93.82 28.59 5.46 93.88 27.07 6.95 93.85 27.83 6.21 2 0 1000.00 -999 ? >LEU~A 23 99.47 31.41 5.03 101.09 31.50 3.57 100.28 31.45 4.30 3 0 1000.00 -999 ? >LEU~A 24 100.12 30.84 10.17 101.46 31.46 11.70 100.79 31.15 10.94 3 0 1000.00 -999 ? >LEU~A 25 97.68 26.34 10.08 96.37 26.73 11.78 97.03 26.54 10.93 3 0 1000.00 -999 ? >ASP~A 26 99.59 25.56 5.12 97.49 25.39 4.77 98.54 25.48 4.94 2 0 1000.00 -999 ? >VAL~A 27 103.50 26.40 6.82 104.47 28.30 6.43 103.99 27.35 6.63 3 0 1000.00 -999 ? >ALA.A 28 103.80 25.38 10.52 102.67 25.39 11.55 103.23 25.38 11.03 2 0 1000.00 -999 ? >LYS^A 29 105.13 21.92 9.66 104.91 18.74 13.90 105.02 20.33 11.78 2 0 1000.00 -999 ? >VAL^A 30 107.24 20.03 7.13 108.40 21.94 6.85 107.82 20.99 6.99 3 0 1000.00 -999 ? >GLN^A 31 107.85 14.81 6.29 107.16 13.42 4.80 107.50 14.11 5.55 2 0 1000.00 -999 ? >GLU.A 32 114.10 14.49 7.65 115.08 14.99 9.45 114.59 14.74 8.55 2 0 1000.00 -999 ? >GLY.A 33 114.74 18.93 4.34 113.94 18.90 4.26 114.34 18.92 4.30 1 0 1000.00 -999 ? >ASP.A 34 110.61 21.31 3.57 109.74 19.38 3.42 110.18 20.34 3.49 2 0 1000.00 -999 ? >GLN.A 35 114.02 26.12 2.91 114.20 27.29 4.69 114.11 26.71 3.80 2 0 1000.00 -999 ? >PRO.A 36 110.57 28.11 6.55 109.68 27.13 4.74 110.12 27.62 5.64 3 0 1000.00 -999 ? >ALA.A 37 107.20 28.53 1.67 105.78 28.11 1.37 106.49 28.32 1.52 2 0 1000.00 -999 ? >GLU.A 38 105.90 34.08 3.09 104.87 34.41 1.26 105.38 34.24 2.17 2 0 1000.00 -999 ? >ASN~A 39 109.86 33.49 7.30 110.71 32.96 9.18 110.28 33.23 8.24 2 0 1000.00 -999 ? >PRO~A 40 107.38 29.50 9.52 106.83 31.67 9.32 107.10 30.58 9.42 3 0 1000.00 -999 ? >HIS~A 41 109.65 32.66 13.46 110.23 30.79 14.21 109.94 31.73 13.84 3 0 1000.00 -999 ? >GLU~A 42 109.37 37.34 8.43 110.13 37.29 6.46 109.75 37.32 7.44 2 0 1000.00 -999 ? >ILE~A 43 103.43 34.42 8.34 102.74 33.61 7.40 103.08 34.02 7.87 3 0 1000.00 -999 ? >LEU~A 44 103.69 34.72 13.71 102.64 34.32 15.56 103.17 34.52 14.64 3 0 1000.00 -999 ? >THR~A 45 103.99 39.13 13.26 106.16 39.38 13.43 105.07 39.26 13.34 2 0 1000.00 -999 ? >GLU~A 46 102.85 40.40 7.57 102.50 39.56 5.63 102.67 39.98 6.60 2 0 1000.00 -999 ? >LEU~A 47 99.06 37.35 12.02 97.73 35.73 11.84 98.39 36.54 11.93 3 0 1000.00 -999 ? >GLU~A 48 101.04 38.38 16.34 103.03 37.93 16.98 102.03 38.15 16.66 2 0 1000.00 -999 ? >GLU~A 49 102.25 44.26 13.14 103.78 44.64 11.74 103.02 44.45 12.44 2 0 1000.00 -999 ? >LEU~A 50 96.13 42.02 10.79 95.64 42.27 8.72 95.89 42.14 9.76 3 0 1000.00 -999 ? >THR~A 51 95.00 42.21 14.99 95.09 40.40 16.13 95.05 41.30 15.56 2 0 1000.00 -999 ? >THR~A 52 95.95 45.40 16.84 97.99 45.31 17.54 96.97 45.35 17.19 2 0 1000.00 -999 ? >ARG~A 53 95.68 47.55 9.89 95.22 49.33 7.44 95.45 48.44 8.67 2 0 1000.00 -999 ? >ILE~A 54 91.27 44.12 13.18 90.65 42.97 12.51 90.96 43.55 12.84 3 0 1000.00 -999 ? >ASN~A 55 91.68 45.45 18.06 91.68 43.34 17.88 91.68 44.40 17.97 2 0 1000.00 -999 ? >ASP~A 56 92.65 50.30 15.80 92.97 52.32 16.21 92.81 51.31 16.00 2 0 1000.00 -999 ? >LEU~A 57 88.92 49.45 12.31 90.01 49.76 10.50 89.47 49.60 11.40 3 0 1000.00 -999 ? >VAL~A 58 86.33 48.21 15.65 85.99 46.13 16.19 86.16 47.17 15.92 3 0 1000.00 -999 ? >ARG~A 59 88.45 49.43 21.80 90.43 50.76 23.72 89.44 50.10 22.76 2 0 1000.00 -999 ? >ARG~A 60 89.64 55.38 15.77 90.01 57.29 13.39 89.83 56.33 14.58 2 0 1000.00 -999 ? >ILE~A 61 83.64 50.95 13.54 83.41 50.20 12.34 83.53 50.57 12.94 3 0 1000.00 -999 ? >ASN~A 62 82.48 50.39 18.71 82.18 48.29 18.50 82.33 49.34 18.60 2 0 1000.00 -999 ? >ARG~A 63 85.01 56.40 21.33 87.39 54.60 22.01 86.20 55.50 21.67 2 0 1000.00 -999 ? >THR~A 64 81.12 56.57 16.10 82.12 56.34 14.20 81.62 56.46 15.15 2 0 1000.00 -999 ? >ASN~A 65 78.02 52.78 15.55 78.31 52.00 13.59 78.17 52.39 14.57 2 0 1000.00 -999 ? >SER~A 66 77.00 55.01 19.21 78.70 54.86 20.94 77.85 54.94 20.07 2 0 1000.00 -999 ? >VAL.A 67 77.53 58.76 18.89 79.29 59.68 19.76 78.41 59.22 19.33 3 0 1000.00 -999 ? >THR.A 68 76.26 59.64 15.43 77.15 59.35 13.50 76.71 59.50 14.46 2 0 1000.00 -999 ? >GLU^A 69 70.55 61.82 16.09 69.40 63.51 15.54 69.97 62.66 15.81 2 0 1000.00 -999 ? >PHE^A 70 69.59 56.46 11.77 68.10 55.34 9.72 68.84 55.90 10.74 3 0 1000.00 -999 ? >SER^A 71 67.26 60.28 13.47 65.45 58.66 13.78 66.36 59.47 13.63 2 0 1000.00 -999 ? >GLU.A 72 63.18 63.34 16.91 64.47 65.01 16.87 63.83 64.18 16.89 2 0 1000.00 -999 ? >GLY.A 73 66.27 60.00 19.29 66.49 59.77 18.55 66.38 59.89 18.92 1 0 1000.00 -999 ? >MET?A 74 68.11 57.26 17.45 65.45 54.69 15.27 66.78 55.97 16.36 2 0 1000.00 -999 ? >THR.A 75 71.86 56.71 17.39 72.43 55.65 19.20 72.14 56.18 18.29 2 0 1000.00 -999 ? >LEU~A 76 74.55 55.20 13.64 74.88 54.45 11.66 74.72 54.82 12.65 3 0 1000.00 -999 ? >ALA~A 77 73.98 52.00 16.80 74.72 52.13 18.13 74.35 52.07 17.46 2 0 1000.00 -999 ? >ASP~A 78 69.50 53.08 18.13 69.99 53.51 20.16 69.75 53.30 19.15 2 0 1000.00 -999 ? >ALA~A 79 69.42 51.82 13.87 69.68 52.96 12.91 69.55 52.39 13.39 2 0 1000.00 -999 ? >LEU~A 80 73.42 49.12 13.50 74.89 49.69 12.04 74.15 49.41 12.77 3 0 1000.00 -999 ? >SER~A 81 70.20 46.80 15.59 69.78 47.93 17.69 69.99 47.37 16.64 2 0 1000.00 -999 ? >VAL~A 82 66.73 47.64 14.30 65.29 49.26 14.26 66.01 48.45 14.28 3 0 1000.00 -999 ? >ARG~A 83 70.67 47.15 8.12 73.71 47.29 8.30 72.19 47.22 8.21 2 0 1000.00 -999 ? >ASP~A 84 70.14 43.09 13.43 72.07 43.83 13.04 71.10 43.46 13.23 2 0 1000.00 -999 ? >ALA~A 85 65.79 42.78 13.90 65.22 43.71 14.93 65.51 43.25 14.42 2 0 1000.00 -999 ? >LEU~A 86 64.07 44.87 9.81 62.96 46.66 10.42 63.51 45.77 10.11 3 0 1000.00 -999 ? >LEU~A 87 67.55 40.88 8.73 68.47 40.00 6.99 68.01 40.44 7.86 3 0 1000.00 -999 ? >LYS~A 88 65.41 38.38 11.65 65.59 37.51 17.80 65.50 37.95 14.72 2 0 1000.00 -999 ? >LYS~A 89 61.73 39.34 11.20 57.52 43.88 12.77 59.63 41.61 11.98 2 0 1000.00 -999 ? >ARG~A 90 63.13 39.98 3.97 65.82 40.38 2.62 64.47 40.18 3.30 2 0 1000.00 -999 ? >THR~A 91 63.33 35.71 7.58 65.21 34.82 8.01 64.27 35.27 7.80 2 0 1000.00 -999 ? >LEU~A 92 60.22 35.40 11.28 58.81 34.69 12.74 59.52 35.04 12.01 3 0 1000.00 -999 ? >TYR~A 93 56.47 37.42 8.85 55.50 38.64 11.15 55.99 38.03 10.00 3 0 1000.00 -999 ? >SER~A 94 59.33 34.11 4.68 60.56 35.79 3.46 59.94 34.95 4.07 2 0 1000.00 -999 ? >ASP~A 95 60.93 30.47 7.50 62.97 30.74 7.08 61.95 30.60 7.29 2 0 1000.00 -999 ? >LEU~A 96 55.95 31.58 8.66 54.37 31.03 10.00 55.16 31.30 9.33 3 0 1000.00 -999 ? >ALA~A 97 55.00 31.33 4.41 55.19 32.63 3.60 55.10 31.98 4.00 2 0 1000.00 -999 ? >ASP~A 98 58.10 29.14 1.41 59.81 29.18 2.62 58.96 29.16 2.01 2 0 1000.00 -999 ? >GLN~A 99 56.04 25.45 7.37 57.00 23.58 7.36 56.52 24.52 7.36 2 0 1000.00 -999 ? >LEU~A 100 51.78 28.25 4.74 51.04 29.15 6.55 51.41 28.70 5.64 3 0 1000.00 -999 ? >THR~A 101 52.85 26.48 0.67 53.39 28.46 0.12 53.12 27.47 0.39 2 0 1000.00 -999 ? >SER~A 102 55.41 23.71 0.90 55.40 22.82 3.13 55.40 23.26 2.01 2 0 1000.00 -999 ? >ARG.A 103 54.28 19.93 -3.46 53.63 18.44 -6.03 53.95 19.19 -4.75 2 0 1000.00 -999 ? >GLN.A 104 55.91 17.41 1.66 57.43 16.69 0.32 56.67 17.05 0.99 2 0 1000.00 -999 ? >ASP.A 105 51.13 15.03 -3.03 52.99 15.19 -4.09 52.06 15.11 -3.56 2 0 1000.00 -999 ? >ARG.A 106 47.14 12.84 1.48 44.03 12.80 1.23 45.58 12.82 1.35 2 0 1000.00 -999 ? >TYR.A 107 49.16 5.47 -2.73 48.40 3.00 -4.01 48.78 4.24 -3.38 3 0 1000.00 -999 ? >SER.A 108 45.22 7.23 -1.05 45.34 5.02 0.10 45.28 6.13 -0.47 2 0 1000.00 -999 ? >ARG.A 109 40.23 12.13 -2.40 40.22 12.64 -5.41 40.23 12.38 -3.91 2 0 1000.00 -999 ? >SER.A 110 42.09 8.11 2.55 42.70 5.79 2.18 42.39 6.95 2.36 2 0 1000.00 -999 ? >GLU.A 111 47.21 7.57 3.24 48.89 7.28 1.90 48.05 7.42 2.57 2 0 1000.00 -999 ? >ILE.A 112 45.93 11.71 8.31 44.61 11.42 9.00 45.27 11.57 8.65 3 0 1000.00 -999 ? >LYS.A 113 46.16 15.32 5.04 42.94 17.82 0.30 44.55 16.57 2.67 2 0 1000.00 -999 ? >TYR^A 114 49.38 17.36 8.34 50.18 15.21 9.93 49.78 16.28 9.14 3 0 1000.00 -999 ? >VAL^A 115 46.40 21.63 5.34 44.44 20.86 5.53 45.42 21.25 5.44 3 0 1000.00 -999 ? >ALA^A 116 47.32 25.24 5.91 47.47 26.40 4.96 47.39 25.82 5.43 2 0 1000.00 -999 ? >THR.A 117 46.62 26.43 9.38 47.56 25.88 11.24 47.09 26.16 10.31 2 0 1000.00 -999 ? >MET?A 118 46.92 30.05 8.24 49.97 31.17 11.02 48.44 30.61 9.63 2 0 1000.00 -999 ? >ASP~A 119 45.24 33.35 5.13 45.07 34.14 3.19 45.16 33.75 4.16 2 0 1000.00 -999 ? >ALA~A 120 49.70 32.22 3.50 50.18 31.17 2.53 49.94 31.70 3.01 2 0 1000.00 -999 ? >ARG~A 121 45.54 36.63 -0.54 46.60 37.77 -3.17 46.07 37.20 -1.85 2 0 1000.00 -999 ? >GLU~A 122 46.20 37.26 5.92 45.99 39.37 6.14 46.09 38.32 6.03 2 0 1000.00 -999 ? >ILE~A 123 52.36 34.46 6.14 52.60 34.57 7.49 52.48 34.51 6.81 3 0 1000.00 -999 ? >ARG~A 124 54.07 35.56 -1.02 52.85 37.49 -3.12 53.46 36.53 -2.07 2 0 1000.00 -999 ? >LYS~A 125 52.20 40.37 3.01 45.95 40.97 2.07 49.08 40.67 2.54 2 0 1000.00 -999 ? >LYS~A 126 53.77 40.59 6.49 50.62 39.25 11.82 52.20 39.92 9.16 2 0 1000.00 -999 ? >ALA~A 127 57.06 39.37 4.97 57.27 38.01 4.30 57.16 38.69 4.64 2 0 1000.00 -999 ? >ASP~A 128 55.70 41.59 0.95 55.90 40.11 -0.54 55.80 40.85 0.20 2 0 1000.00 -999 ? >LEU~A 129 55.20 44.58 5.32 54.63 46.08 6.74 54.91 45.33 6.03 3 0 1000.00 -999 ? >ALA~A 130 59.24 43.56 6.68 59.35 42.33 7.55 59.30 42.95 7.12 2 0 1000.00 -999 ? >ALA~A 131 61.35 43.36 3.52 61.04 42.45 2.37 61.19 42.91 2.94 2 0 1000.00 -999 ? >LYS~A 132 60.55 46.87 2.27 57.08 48.75 -2.29 58.82 47.81 -0.01 2 0 1000.00 -999 ? >GLU~A 133 59.11 48.35 6.97 58.14 48.31 8.86 58.62 48.33 7.91 2 0 1000.00 -999 ? >TYR~A 134 66.40 44.53 5.54 69.08 43.82 5.41 67.74 44.17 5.47 3 0 1000.00 -999 ? >ARG~A 135 67.43 46.51 0.76 69.56 45.42 -1.14 68.50 45.97 -0.19 2 0 1000.00 -999 ? >GLN~A 136 63.22 53.39 3.87 63.54 54.35 1.98 63.38 53.87 2.93 2 0 1000.00 -999 ? >LEU~A 137 66.32 50.37 7.82 67.14 51.01 9.69 66.73 50.69 8.76 3 0 1000.00 -999 ? >ASP~A 138 69.64 48.34 4.31 71.59 47.79 3.67 70.61 48.06 3.99 2 0 1000.00 -999 ? >VAL~A 139 69.87 52.23 2.34 68.94 52.33 0.37 69.40 52.28 1.36 3 0 1000.00 -999 ? >ASP~A 140 68.17 55.34 5.71 66.43 55.98 4.69 67.30 55.66 5.20 2 0 1000.00 -999 ? >ILE~A 141 72.19 52.30 7.62 72.33 51.56 8.94 72.26 51.93 8.28 3 0 1000.00 -999 ? >GLN~A 142 74.23 50.78 2.83 76.01 50.03 3.69 75.12 50.41 3.26 2 0 1000.00 -999 ? >ARG~A 143 71.26 59.26 1.91 68.67 57.93 1.04 69.97 58.60 1.48 2 0 1000.00 -999 ? >LEU~A 144 73.94 57.69 7.75 73.05 58.79 9.36 73.49 58.24 8.56 3 0 1000.00 -999 ? >ASN~A 145 77.78 54.26 6.21 77.35 52.88 7.81 77.56 53.57 7.01 2 0 1000.00 -999 ? >TRP~A 146 78.65 54.88 1.42 82.45 55.21 0.49 80.55 55.04 0.95 3 0 1000.00 -999 ? >GLN.A 147 76.11 61.60 5.21 74.37 62.16 4.10 75.24 61.88 4.66 2 0 1000.00 -999 ? >THR.A 148 80.14 60.54 8.45 78.93 59.66 9.99 79.54 60.10 9.22 2 0 1000.00 -999 ? >GLU.A 149 84.47 63.26 8.85 84.94 65.24 9.42 84.70 64.25 9.13 2 0 1000.00 -999 ? >LEU.A 150 86.06 57.06 11.15 86.59 55.13 12.05 86.32 56.10 11.60 3 0 1000.00 -999 ? >GLN.A 151 83.67 60.35 16.40 83.31 61.00 18.39 83.49 60.67 17.39 2 0 1000.00 -999 ? >ALA.B 0 64.19 9.32 59.46 64.44 10.30 60.59 64.32 9.81 60.03 2 0 1000.00 -999 ? >MET?B 1 67.14 6.94 58.97 66.11 6.95 54.87 66.62 6.94 56.92 2 0 1000.00 -999 ? >TYR~B 2 71.78 4.70 59.86 72.01 3.77 62.48 71.89 4.24 61.17 3 0 1000.00 -999 ? >LEU~B 3 73.85 9.38 55.74 74.86 10.79 54.47 74.36 10.08 55.10 3 0 1000.00 -999 ? >ALA~B 4 73.52 5.31 53.72 74.19 4.09 54.34 73.85 4.70 54.03 2 0 1000.00 -999 ? >GLU~B 5 69.26 3.11 55.64 67.85 2.90 57.21 68.55 3.00 56.43 2 0 1000.00 -999 ? >ALA~B 6 69.15 7.82 52.05 69.47 9.10 52.77 69.31 8.46 52.41 2 0 1000.00 -999 ? >LEU~B 7 73.24 7.10 49.49 74.37 8.71 50.42 73.80 7.90 49.96 3 0 1000.00 -999 ? >ALA~B 8 70.03 4.19 48.27 69.81 2.98 49.17 69.92 3.59 48.72 2 0 1000.00 -999 ? >GLN~B 9 65.00 5.47 50.11 63.90 6.30 51.74 64.45 5.88 50.92 2 0 1000.00 -999 ? >ARG~B 10 70.31 11.67 45.32 72.69 9.90 44.56 71.50 10.79 44.94 2 0 1000.00 -999 ? >VAL~B 11 69.24 6.21 43.51 70.96 4.93 43.29 70.10 5.57 43.40 3 0 1000.00 -999 ? >GLU~B 12 64.07 2.73 44.31 64.43 0.84 43.43 64.25 1.79 43.87 2 0 1000.00 -999 ? >ALA~B 13 63.88 7.30 42.97 63.80 8.46 43.95 63.84 7.88 43.46 2 0 1000.00 -999 ? >GLN~B 14 67.68 10.01 41.45 68.70 11.85 41.14 68.19 10.93 41.29 2 0 1000.00 -999 ? >ARG~B 15 66.32 1.53 38.72 63.81 0.52 40.12 65.07 1.02 39.42 2 0 1000.00 -999 ? >ARG~B 16 59.91 4.11 42.02 56.93 4.83 42.11 58.42 4.47 42.07 2 0 1000.00 -999 ? >TYR~B 17 62.43 11.30 37.48 62.10 13.74 36.18 62.26 12.52 36.83 3 0 1000.00 -999 ? >SER~B 18 63.73 8.02 34.54 65.53 7.03 33.25 64.63 7.53 33.89 2 0 1000.00 -999 ? >GLU~B 19 62.60 2.88 34.58 62.51 1.13 35.71 62.55 2.01 35.15 2 0 1000.00 -999 ? >LEU~B 20 57.70 7.47 35.86 57.00 6.29 37.53 57.35 6.88 36.70 3 0 1000.00 -999 ? >ASN~B 21 60.94 10.34 32.61 61.20 12.21 31.58 61.07 11.27 32.10 2 0 1000.00 -999 ? >GLN~B 22 61.65 5.51 28.53 61.58 7.00 26.99 61.62 6.25 27.76 2 0 1000.00 -999 ? >LEU~B 23 55.97 5.07 31.36 54.39 3.60 31.44 55.18 4.33 31.40 3 0 1000.00 -999 ? >LEU~B 24 55.38 10.22 30.74 54.07 11.75 31.37 54.73 10.99 31.06 3 0 1000.00 -999 ? >LEU~B 25 57.78 10.09 26.28 59.03 11.78 26.68 58.41 10.94 26.48 3 0 1000.00 -999 ? >ASP~B 26 55.86 5.15 25.49 57.95 4.76 25.32 56.91 4.95 25.40 2 0 1000.00 -999 ? >VAL~B 27 51.96 6.88 26.32 50.96 6.48 28.27 51.46 6.68 27.29 3 0 1000.00 -999 ? >ALA.B 28 51.69 10.57 25.30 52.82 11.60 25.33 52.26 11.09 25.31 2 0 1000.00 -999 ? >LYS.B 29 50.41 9.74 21.83 51.00 14.12 17.74 50.71 11.93 19.79 2 0 1000.00 -999 ? >VAL.B 30 48.42 7.07 20.07 46.70 6.32 21.36 47.56 6.69 20.71 3 0 1000.00 -999 ? >GLN.B 31 47.91 6.08 15.33 48.34 5.05 13.47 48.12 5.56 14.40 2 0 1000.00 -999 ? >GLU.B 32 41.50 7.63 14.53 40.29 9.29 14.98 40.89 8.46 14.76 2 0 1000.00 -999 ? >GLY.B 33 40.85 4.05 18.69 41.60 3.99 18.76 41.23 4.02 18.72 1 0 1000.00 -999 ? >ASP.B 34 44.76 2.44 21.17 45.64 3.13 19.33 45.20 2.78 20.25 2 0 1000.00 -999 ? >GLN.B 35 40.97 3.46 25.86 40.73 5.32 26.87 40.85 4.39 26.37 2 0 1000.00 -999 ? >PRO.B 36 44.69 6.85 27.89 45.36 4.89 27.04 45.02 5.87 27.46 3 0 1000.00 -999 ? >ALA.B 37 47.63 1.71 28.61 48.81 1.01 27.96 48.22 1.36 28.29 2 0 1000.00 -999 ? >GLU.B 38 49.54 3.39 34.01 50.38 1.60 34.76 49.96 2.50 34.38 2 0 1000.00 -999 ? >ASN~B 39 45.57 7.37 33.43 44.71 9.24 32.90 45.14 8.31 33.17 2 0 1000.00 -999 ? >PRO~B 40 48.09 9.57 29.44 48.64 9.37 31.59 48.36 9.47 30.52 3 0 1000.00 -999 ? >HIS~B 41 45.83 13.51 32.56 45.29 14.25 30.68 45.56 13.88 31.62 3 0 1000.00 -999 ? >GLU~B 42 46.08 8.48 37.28 45.33 6.50 37.24 45.71 7.49 37.26 2 0 1000.00 -999 ? >ILE~B 43 52.05 8.35 34.40 52.73 7.41 33.58 52.39 7.88 33.99 3 0 1000.00 -999 ? >LEU~B 44 51.81 13.76 34.66 52.88 15.60 34.25 52.34 14.68 34.45 3 0 1000.00 -999 ? >THR~B 45 51.47 13.28 39.05 49.30 13.47 39.30 50.39 13.38 39.17 2 0 1000.00 -999 ? >GLU~B 46 52.59 7.60 40.33 52.93 5.67 39.49 52.76 6.63 39.91 2 0 1000.00 -999 ? >LEU~B 47 56.40 12.05 37.30 57.74 11.85 35.65 57.07 11.95 36.48 3 0 1000.00 -999 ? >GLU~B 48 54.42 16.33 38.32 52.45 17.01 37.87 53.44 16.67 38.10 2 0 1000.00 -999 ? >GLU~B 49 53.21 13.16 44.24 51.66 11.75 44.61 52.43 12.46 44.42 2 0 1000.00 -999 ? >LEU~B 50 59.36 10.82 41.94 59.78 8.72 42.17 59.57 9.77 42.05 3 0 1000.00 -999 ? >THR~B 51 60.46 15.02 42.16 60.35 16.19 40.35 60.40 15.60 41.26 2 0 1000.00 -999 ? >THR~B 52 59.48 16.84 45.35 57.39 17.56 45.29 58.44 17.20 45.32 2 0 1000.00 -999 ? >ARG~B 53 59.96 9.85 47.48 60.20 7.69 49.68 60.08 8.77 48.58 2 0 1000.00 -999 ? >ILE~B 54 64.17 13.18 44.07 64.82 12.51 42.93 64.50 12.85 43.50 3 0 1000.00 -999 ? >ASN~B 55 63.79 18.08 45.41 63.78 17.90 43.30 63.78 17.99 44.36 2 0 1000.00 -999 ? >ASP~B 56 62.79 15.84 50.26 62.46 16.22 52.30 62.63 16.03 51.28 2 0 1000.00 -999 ? >LEU~B 57 66.53 12.31 49.37 65.50 10.45 49.68 66.01 11.38 49.52 3 0 1000.00 -999 ? >VAL~B 58 69.10 15.66 48.17 69.45 16.16 46.09 69.28 15.91 47.13 3 0 1000.00 -999 ? >ARG~B 59 67.09 21.59 48.96 64.91 23.19 50.42 66.00 22.39 49.69 2 0 1000.00 -999 ? >ARG~B 60 65.83 15.76 55.34 65.44 13.38 57.23 65.63 14.57 56.28 2 0 1000.00 -999 ? >ILE~B 61 71.77 13.54 50.91 72.02 12.33 50.17 71.90 12.94 50.54 3 0 1000.00 -999 ? >ASN~B 62 72.97 18.73 50.37 73.29 18.51 48.28 73.13 18.62 49.32 2 0 1000.00 -999 ? >ARG~B 63 70.06 21.16 56.38 67.75 22.13 54.60 68.90 21.64 55.49 2 0 1000.00 -999 ? >THR~B 64 74.29 16.10 56.52 73.30 14.18 56.30 73.79 15.14 56.41 2 0 1000.00 -999 ? >ASN~B 65 77.42 15.55 52.75 77.10 13.59 51.99 77.26 14.57 52.37 2 0 1000.00 -999 ? >SER~B 66 78.42 19.21 54.99 76.75 20.94 54.87 77.58 20.07 54.93 2 0 1000.00 -999 ? >VAL.B 67 77.92 18.87 58.74 76.14 19.75 59.67 77.03 19.31 59.20 3 0 1000.00 -999 ? >THR.B 68 79.26 15.51 59.82 78.46 13.76 58.78 78.86 14.63 59.30 2 0 1000.00 -999 ? >GLU^B 69 84.94 15.10 62.26 85.64 15.21 64.24 85.29 15.16 63.25 2 0 1000.00 -999 ? >PHE^B 70 85.83 11.74 56.47 87.36 9.71 55.33 86.59 10.73 55.90 3 0 1000.00 -999 ? >SER^B 71 88.14 13.42 60.31 89.88 13.74 58.65 89.01 13.58 59.48 2 0 1000.00 -999 ? >GLU.B 72 92.22 16.82 63.36 90.91 16.77 65.01 91.56 16.80 64.19 2 0 1000.00 -999 ? >GLY.B 73 89.14 19.27 60.01 88.95 18.53 59.77 89.04 18.90 59.89 1 0 1000.00 -999 ? >MET?B 74 87.31 17.42 57.25 89.97 15.29 54.72 88.64 16.35 55.98 2 0 1000.00 -999 ? >THR.B 75 83.57 17.35 56.70 82.95 19.15 55.66 83.26 18.25 56.18 2 0 1000.00 -999 ? >LEU~B 76 80.87 13.63 55.17 80.54 11.66 54.44 80.71 12.65 54.81 3 0 1000.00 -999 ? >ALA~B 77 81.45 16.80 51.97 80.71 18.11 52.10 81.08 17.45 52.04 2 0 1000.00 -999 ? >ASP~B 78 85.92 18.11 53.10 85.45 20.15 53.49 85.68 19.13 53.29 2 0 1000.00 -999 ? >ALA~B 79 86.03 13.85 51.83 85.81 12.90 52.97 85.92 13.37 52.40 2 0 1000.00 -999 ? >LEU~B 80 82.02 13.51 49.13 80.55 12.04 49.70 81.29 12.78 49.42 3 0 1000.00 -999 ? >SER~B 81 85.23 15.59 46.79 85.67 17.69 47.94 85.45 16.64 47.37 2 0 1000.00 -999 ? >VAL~B 82 88.74 14.30 47.60 90.19 14.28 49.20 89.46 14.29 48.40 3 0 1000.00 -999 ? >ARG~B 83 84.77 8.11 47.10 81.75 8.29 47.28 83.26 8.20 47.19 2 0 1000.00 -999 ? >ASP~B 84 85.30 13.44 43.07 83.35 13.09 43.86 84.33 13.27 43.47 2 0 1000.00 -999 ? >ALA~B 85 89.65 13.88 42.79 90.24 14.91 43.72 89.94 14.40 43.26 2 0 1000.00 -999 ? >LEU~B 86 91.35 9.80 44.86 92.49 10.39 46.64 91.92 10.09 45.75 3 0 1000.00 -999 ? >LEU~B 87 87.89 8.73 40.86 87.00 6.99 39.99 87.44 7.86 40.43 3 0 1000.00 -999 ? >LYS~B 88 90.02 11.63 38.35 89.88 17.76 37.58 89.95 14.70 37.97 2 0 1000.00 -999 ? >LYS~B 89 93.68 11.18 39.36 97.94 12.72 43.86 95.81 11.95 41.61 2 0 1000.00 -999 ? >ARG~B 90 92.32 3.96 39.99 89.61 2.62 40.35 90.97 3.29 40.17 2 0 1000.00 -999 ? >THR~B 91 92.11 7.59 35.69 90.24 8.04 34.79 91.17 7.82 35.24 2 0 1000.00 -999 ? >LEU~B 92 95.25 11.27 35.38 96.66 12.74 34.64 95.95 12.01 35.01 3 0 1000.00 -999 ? >TYR~B 93 98.96 8.84 37.43 99.94 11.15 38.64 99.45 10.00 38.03 3 0 1000.00 -999 ? >SER~B 94 96.13 4.68 34.09 94.85 3.44 35.77 95.49 4.06 34.93 2 0 1000.00 -999 ? >ASP~B 95 94.53 7.49 30.45 92.51 7.08 30.75 93.52 7.28 30.60 2 0 1000.00 -999 ? >LEU~B 96 99.49 8.68 31.58 101.10 9.98 31.02 100.30 9.33 31.30 3 0 1000.00 -999 ? >ALA~B 97 100.43 4.41 31.33 100.23 3.61 32.61 100.33 4.01 31.97 2 0 1000.00 -999 ? >ASP~B 98 97.36 1.40 29.10 95.64 2.60 29.15 96.50 2.00 29.13 2 0 1000.00 -999 ? >GLN~B 99 99.39 7.38 25.46 98.43 7.39 23.57 98.91 7.38 24.52 2 0 1000.00 -999 ? >LEU~B 100 103.71 4.75 28.19 104.39 6.56 29.12 104.05 5.65 28.65 3 0 1000.00 -999 ? >THR~B 101 102.57 0.68 26.45 102.03 0.10 28.43 102.30 0.39 27.44 2 0 1000.00 -999 ? >SER.B 102 100.45 1.29 23.36 99.11 2.65 21.87 99.78 1.97 22.61 2 0 1000.00 -999 ? >ARG.B 103 99.95 -2.38 19.34 97.85 -3.26 21.40 98.90 -2.82 20.37 2 0 1000.00 -999 ? >GLN.B 104 100.14 2.47 15.22 100.53 3.37 13.30 100.34 2.92 14.26 2 0 1000.00 -999 ? >ASP.B 105 103.09 -3.48 14.67 103.24 -4.33 16.68 103.17 -3.91 15.67 2 0 1000.00 -999 ? >ARG.B 106 108.24 1.59 12.94 111.28 1.25 13.19 109.76 1.42 13.06 2 0 1000.00 -999 ? >TYR.B 107 106.00 -2.81 6.22 106.84 -2.85 3.54 106.42 -2.83 4.88 3 0 1000.00 -999 ? >SER.B 108 109.93 -0.93 7.84 110.96 0.11 5.89 110.44 -0.41 6.86 2 0 1000.00 -999 ? >ARG.B 109 115.04 -3.12 11.76 114.80 -6.11 11.10 114.92 -4.62 11.43 2 0 1000.00 -999 ? >SER.B 110 113.30 2.74 7.89 112.77 2.06 5.56 113.04 2.40 6.73 2 0 1000.00 -999 ? >GLU.B 111 108.08 3.04 7.58 106.30 1.82 7.72 107.19 2.43 7.65 2 0 1000.00 -999 ? >ILE.B 112 109.74 8.25 11.74 109.26 9.43 11.00 109.50 8.84 11.37 3 0 1000.00 -999 ? >LYS.B 113 109.36 4.95 15.19 112.14 0.41 17.60 110.75 2.68 16.40 2 0 1000.00 -999 ? >TYR^B 114 106.01 7.98 17.19 105.31 9.67 15.08 105.66 8.82 16.14 3 0 1000.00 -999 ? >VAL^B 115 108.99 5.59 21.72 110.97 5.99 20.95 109.98 5.79 21.33 3 0 1000.00 -999 ? >ALA^B 116 107.92 6.08 25.32 107.87 5.05 26.44 107.90 5.57 25.88 2 0 1000.00 -999 ? >THR.B 117 108.80 9.63 26.22 107.85 11.54 26.19 108.33 10.59 26.20 2 0 1000.00 -999 ? >MET?B 118 108.40 8.38 29.80 105.51 11.19 31.11 106.95 9.78 30.46 2 0 1000.00 -999 ? >ASP~B 119 110.04 5.37 33.16 110.27 3.42 33.98 110.15 4.40 33.57 2 0 1000.00 -999 ? >ALA~B 120 105.71 3.46 32.21 105.27 2.49 31.17 105.49 2.97 31.69 2 0 1000.00 -999 ? >ARG~B 121 109.89 -0.55 36.66 108.83 -3.20 37.78 109.36 -1.88 37.22 2 0 1000.00 -999 ? >GLU~B 122 109.21 5.88 37.25 109.42 6.12 39.36 109.31 6.00 38.30 2 0 1000.00 -999 ? >ILE~B 123 103.06 6.16 34.46 102.83 7.50 34.56 102.94 6.83 34.51 3 0 1000.00 -999 ? >ARG~B 124 101.39 -1.02 35.55 102.58 -3.14 37.47 101.99 -2.08 36.51 2 0 1000.00 -999 ? >LYS~B 125 103.23 2.99 40.34 109.47 2.04 40.96 106.35 2.51 40.65 2 0 1000.00 -999 ? >LYS~B 126 101.66 6.47 40.56 104.79 11.82 39.25 103.22 9.15 39.90 2 0 1000.00 -999 ? >ALA~B 127 98.34 4.98 39.36 98.13 4.35 38.02 98.24 4.66 38.69 2 0 1000.00 -999 ? >ASP~B 128 99.73 0.93 41.55 99.54 -0.58 40.06 99.64 0.17 40.81 2 0 1000.00 -999 ? >LEU~B 129 100.21 5.31 44.56 100.82 6.70 46.09 100.52 6.00 45.33 3 0 1000.00 -999 ? >ALA~B 130 96.19 6.67 43.53 96.07 7.56 42.30 96.13 7.12 42.92 2 0 1000.00 -999 ? >ALA~B 131 94.08 3.52 43.33 94.36 2.37 42.42 94.22 2.94 42.88 2 0 1000.00 -999 ? >LYS~B 132 94.86 2.23 46.83 98.33 -2.35 48.76 96.59 -0.06 47.80 2 0 1000.00 -999 ? >GLU~B 133 96.30 6.95 48.35 97.28 8.84 48.31 96.79 7.89 48.33 2 0 1000.00 -999 ? >TYR~B 134 89.01 5.54 44.52 86.34 5.41 43.74 87.68 5.48 44.13 3 0 1000.00 -999 ? >ARG~B 135 87.98 0.76 46.48 85.84 -1.15 45.39 86.91 -0.19 45.94 2 0 1000.00 -999 ? >GLN~B 136 92.19 3.85 53.37 91.87 1.96 54.34 92.03 2.91 53.85 2 0 1000.00 -999 ? >LEU~B 137 89.10 7.81 50.33 88.23 9.67 50.96 88.66 8.74 50.65 3 0 1000.00 -999 ? >ASP~B 138 85.77 4.30 48.31 83.83 3.67 47.73 84.80 3.98 48.02 2 0 1000.00 -999 ? >VAL~B 139 85.54 2.32 52.17 86.47 0.36 52.28 86.01 1.34 52.23 3 0 1000.00 -999 ? >ASP~B 140 87.24 5.67 55.34 89.01 4.64 55.94 88.12 5.16 55.64 2 0 1000.00 -999 ? >ILE~B 141 83.19 7.63 52.30 83.06 8.96 51.57 83.12 8.29 51.93 3 0 1000.00 -999 ? >GLN~B 142 81.20 2.81 50.73 79.40 3.69 49.98 80.30 3.25 50.36 2 0 1000.00 -999 ? >ARG~B 143 83.90 1.53 59.49 86.47 1.32 57.85 85.18 1.43 58.67 2 0 1000.00 -999 ? >LEU~B 144 81.45 7.74 57.69 82.35 9.34 58.80 81.90 8.54 58.24 3 0 1000.00 -999 ? >ASN~B 145 77.62 6.18 54.23 78.07 7.77 52.87 77.84 6.97 53.55 2 0 1000.00 -999 ? >TRP~B 146 76.76 1.44 54.82 72.97 0.47 55.17 74.87 0.95 55.00 3 0 1000.00 -999 ? >GLN.B 147 79.29 5.19 61.60 81.02 4.08 62.16 80.16 4.64 61.88 2 0 1000.00 -999 ? >THR.B 148 75.29 8.44 60.51 76.52 10.00 59.64 75.91 9.22 60.08 2 0 1000.00 -999 ? >GLU.B 149 70.93 8.82 63.22 70.48 9.40 65.20 70.71 9.11 64.21 2 0 1000.00 -999 ? >LEU.B 150 69.37 11.18 57.03 68.86 12.05 55.09 69.11 11.61 56.06 3 0 1000.00 -999 ? >GLN.B 151 71.72 16.40 60.32 72.11 18.39 60.95 71.92 17.40 60.64 2 0 1000.00 -999 ? >ASN.C -1 60.40 46.39 35.53 59.64 46.24 37.55 60.02 46.31 36.54 2 0 1000.00 -999 ? >ALA.C 0 64.32 48.81 35.53 64.58 50.30 35.64 64.45 49.55 35.59 2 0 1000.00 -999 ? >MET?C 1 67.27 46.77 36.85 66.20 43.85 33.93 66.74 45.31 35.39 2 0 1000.00 -999 ? >TYR~C 2 71.91 45.79 39.07 72.13 46.99 41.59 72.02 46.39 40.33 3 0 1000.00 -999 ? >LEU~C 3 73.98 46.15 32.85 74.97 46.23 30.93 74.47 46.19 31.89 3 0 1000.00 -999 ? >ALA~C 4 73.62 41.87 34.30 74.27 41.42 35.60 73.95 41.65 34.95 2 0 1000.00 -999 ? >GLU~C 5 69.38 41.71 37.22 67.97 42.68 38.50 68.67 42.19 37.86 2 0 1000.00 -999 ? >ALA~C 6 69.22 42.47 31.34 69.55 43.88 30.94 69.39 43.18 31.14 2 0 1000.00 -999 ? >LEU~C 7 73.31 40.16 30.02 74.47 41.93 29.55 73.89 41.05 29.78 3 0 1000.00 -999 ? >ALA~C 8 70.12 37.25 31.23 69.95 37.01 32.72 70.03 37.13 31.98 2 0 1000.00 -999 ? >GLN~C 9 65.05 39.44 31.66 64.01 41.21 32.20 64.53 40.33 31.93 2 0 1000.00 -999 ? >ARG~C 10 70.38 40.44 23.87 72.74 38.62 24.57 71.56 39.53 24.22 2 0 1000.00 -999 ? >VAL~C 11 69.30 35.29 26.46 71.04 34.21 27.20 70.17 34.75 26.83 3 0 1000.00 -999 ? >GLU~C 12 64.12 33.42 29.48 64.47 31.46 30.17 64.30 32.44 29.83 2 0 1000.00 -999 ? >ALA~C 13 63.91 35.70 25.32 63.77 37.24 25.22 63.84 36.47 25.27 2 0 1000.00 -999 ? >GLN~C 14 67.73 36.53 22.33 68.74 37.65 20.83 68.23 37.09 21.58 2 0 1000.00 -999 ? >ARG~C 15 66.36 28.60 26.40 63.83 28.90 28.08 65.09 28.75 27.24 2 0 1000.00 -999 ? >ARG~C 16 59.97 32.78 26.95 57.01 33.39 26.47 58.49 33.09 26.71 2 0 1000.00 -999 ? >TYR~C 17 62.43 34.67 18.62 62.15 35.47 15.96 62.29 35.07 17.29 3 0 1000.00 -999 ? >SER~C 18 63.76 30.26 18.86 65.56 28.63 18.68 64.66 29.45 18.77 2 0 1000.00 -999 ? >GLU~C 19 62.59 26.68 22.53 62.49 26.22 24.58 62.54 26.45 23.56 2 0 1000.00 -999 ? >LEU~C 20 57.75 30.87 20.16 57.04 31.23 22.18 57.40 31.05 21.17 3 0 1000.00 -999 ? >ASN~C 21 60.92 30.56 15.84 61.20 31.11 13.79 61.06 30.84 14.82 2 0 1000.00 -999 ? >GLN~C 22 61.61 24.23 16.40 61.55 24.21 14.26 61.58 24.22 15.33 2 0 1000.00 -999 ? >LEU~C 23 55.96 25.99 18.70 54.37 25.01 19.80 55.16 25.50 19.25 3 0 1000.00 -999 ? >LEU~C 24 55.35 29.16 14.66 54.04 30.70 14.01 54.69 29.93 14.33 3 0 1000.00 -999 ? >LEU~C 25 57.77 25.91 11.58 59.04 27.34 10.64 58.41 26.62 11.11 3 0 1000.00 -999 ? >ASP~C 26 55.82 21.88 14.52 57.90 21.46 14.64 56.86 21.67 14.58 2 0 1000.00 -999 ? >VAL~C 27 51.90 23.65 13.89 50.88 24.72 15.53 51.39 24.18 14.71 3 0 1000.00 -999 ? >ALA.C 28 51.60 25.55 10.56 52.73 26.26 9.81 52.17 25.90 10.19 2 0 1000.00 -999 ? >LYS^C 29 49.98 22.42 9.09 51.44 22.33 3.06 50.71 22.37 6.07 2 0 1000.00 -999 ? >VAL^C 30 47.60 20.13 10.97 45.75 20.87 11.88 46.67 20.50 11.42 3 0 1000.00 -999 ? >GLN^C 31 46.92 14.98 11.93 46.62 13.09 12.85 46.77 14.03 12.39 2 0 1000.00 -999 ? >GLU.C 32 41.29 17.34 6.16 40.72 16.46 4.32 41.00 16.90 5.24 2 0 1000.00 -999 ? >GLY.C 33 40.30 16.69 10.88 40.87 17.19 10.91 40.58 16.94 10.89 1 0 1000.00 -999 ? >ASP.C 34 42.36 17.88 14.93 44.14 17.12 14.12 43.25 17.50 14.53 2 0 1000.00 -999 ? >GLN.C 35 40.47 23.05 15.73 40.37 24.95 14.73 40.42 24.00 15.23 2 0 1000.00 -999 ? >PRO.C 36 45.60 25.05 15.13 45.59 22.96 15.95 45.59 24.01 15.54 3 0 1000.00 -999 ? >ALA.C 37 47.74 21.64 19.38 49.01 20.83 19.55 48.37 21.23 19.47 2 0 1000.00 -999 ? >GLU.C 38 50.31 24.84 21.56 50.39 25.80 23.43 50.35 25.32 22.50 2 0 1000.00 -999 ? >ASN~C 39 45.58 29.11 18.58 44.73 30.05 16.88 45.15 29.58 17.73 2 0 1000.00 -999 ? >PRO~C 40 48.07 27.81 14.21 48.62 29.19 15.85 48.35 28.50 15.03 3 0 1000.00 -999 ? >HIS~C 41 45.84 32.83 13.60 45.27 32.04 11.74 45.56 32.44 12.67 3 0 1000.00 -999 ? >GLU~C 42 46.10 32.60 20.49 45.34 31.19 21.88 45.72 31.89 21.19 2 0 1000.00 -999 ? >ILE~C 43 52.01 30.42 18.50 52.69 29.18 18.61 52.35 29.80 18.55 3 0 1000.00 -999 ? >LEU~C 44 51.76 34.45 14.89 52.83 35.48 13.30 52.30 34.96 14.09 3 0 1000.00 -999 ? >THR~C 45 51.50 37.24 18.35 49.32 37.58 18.40 50.41 37.41 18.38 2 0 1000.00 -999 ? >GLU~C 46 52.66 34.11 23.27 53.02 32.15 24.04 52.84 33.13 23.66 2 0 1000.00 -999 ? >LEU~C 47 56.47 35.12 17.94 57.78 33.79 16.96 57.13 34.45 17.45 3 0 1000.00 -999 ? >GLU~C 48 54.48 38.83 15.66 52.51 38.97 14.86 53.50 38.90 15.26 2 0 1000.00 -999 ? >GLU~C 49 53.26 40.81 22.06 51.70 40.09 23.31 52.48 40.45 22.69 2 0 1000.00 -999 ? >LEU~C 50 59.39 37.50 22.13 59.89 36.21 23.76 59.64 36.85 22.94 3 0 1000.00 -999 ? >THR~C 51 60.53 40.59 19.30 60.43 40.11 17.19 60.48 40.35 18.25 2 0 1000.00 -999 ? >THR~C 52 59.55 44.15 20.27 57.52 44.62 19.71 58.53 44.39 19.99 2 0 1000.00 -999 ? >ARG~C 53 60.04 40.68 26.70 61.31 41.69 29.33 60.67 41.19 28.01 2 0 1000.00 -999 ? >ILE~C 54 64.18 40.66 21.91 64.83 39.37 21.56 64.51 40.01 21.73 3 0 1000.00 -999 ? >ASN~C 55 63.89 45.06 19.39 63.84 43.42 18.05 63.87 44.24 18.72 2 0 1000.00 -999 ? >ASP~C 56 62.88 46.90 24.41 62.57 48.60 25.58 62.73 47.75 25.00 2 0 1000.00 -999 ? >LEU~C 57 66.62 43.77 26.28 65.54 42.73 27.81 66.08 43.25 27.04 3 0 1000.00 -999 ? >VAL~C 58 69.22 45.24 23.10 69.53 44.18 21.25 69.38 44.71 22.18 3 0 1000.00 -999 ? >ARG~C 59 66.16 51.25 21.17 65.71 53.14 18.84 65.93 52.19 20.01 2 0 1000.00 -999 ? >ARG~C 60 65.93 50.46 28.06 65.52 50.11 31.08 65.73 50.28 29.57 2 0 1000.00 -999 ? >ILE~C 61 71.88 45.70 26.48 72.12 44.30 26.82 72.00 45.00 26.65 3 0 1000.00 -999 ? >ASN~C 62 73.05 48.95 22.43 73.36 47.30 21.12 73.21 48.13 21.78 2 0 1000.00 -999 ? >ARG~C 63 70.15 54.60 24.58 67.88 54.37 22.54 69.02 54.48 23.56 2 0 1000.00 -999 ? >THR~C 64 74.43 51.48 28.66 73.41 49.99 29.84 73.92 50.74 29.25 2 0 1000.00 -999 ? >ASN~C 65 77.51 48.38 26.34 77.18 46.46 27.20 77.35 47.42 26.77 2 0 1000.00 -999 ? >SER~C 66 78.56 52.56 25.35 76.85 53.66 24.01 77.70 53.11 24.68 2 0 1000.00 -999 ? >VAL.C 67 78.04 54.96 28.25 76.29 56.26 28.24 77.17 55.61 28.24 3 0 1000.00 -999 ? >THR.C 68 79.20 53.35 31.47 78.39 51.37 31.93 78.80 52.36 31.70 2 0 1000.00 -999 ? >GLU^C 69 84.48 54.62 33.77 86.08 55.98 33.98 85.28 55.30 33.87 2 0 1000.00 -999 ? >PHE^C 70 85.97 48.31 31.68 87.46 46.05 32.30 86.71 47.18 31.99 3 0 1000.00 -999 ? >SER^C 71 88.30 52.18 33.20 90.03 51.25 31.78 89.17 51.71 32.49 2 0 1000.00 -999 ? >GLU.C 72 92.45 56.74 32.88 91.18 57.89 34.12 91.82 57.32 33.50 2 0 1000.00 -999 ? >GLY.C 73 89.29 56.08 28.85 89.09 55.41 29.20 89.19 55.74 29.03 1 0 1000.00 -999 ? >MET?C 74 87.45 52.83 28.20 90.10 49.53 27.92 88.77 51.18 28.06 2 0 1000.00 -999 ? >THR.C 75 83.71 52.44 27.86 83.17 52.99 25.84 83.44 52.71 26.85 2 0 1000.00 -999 ? >LEU~C 76 81.00 48.73 29.42 80.64 46.80 30.31 80.82 47.76 29.86 3 0 1000.00 -999 ? >ALA~C 77 81.58 48.67 24.91 80.86 49.68 24.05 81.22 49.17 24.48 2 0 1000.00 -999 ? >ASP~C 78 86.06 50.40 24.76 85.59 52.13 23.62 85.82 51.26 24.19 2 0 1000.00 -999 ? >ALA~C 79 86.12 46.49 26.90 85.88 46.61 28.37 86.00 46.55 27.63 2 0 1000.00 -999 ? >LEU~C 80 82.11 44.36 25.20 80.65 43.73 26.65 81.38 44.04 25.93 3 0 1000.00 -999 ? >SER~C 81 85.31 44.15 22.10 85.72 46.46 21.43 85.51 45.31 21.77 2 0 1000.00 -999 ? >VAL~C 82 88.80 43.83 23.60 90.26 44.96 24.76 89.53 44.39 24.18 3 0 1000.00 -999 ? >ARG~C 83 84.82 39.08 27.62 81.79 39.36 27.61 83.31 39.22 27.61 2 0 1000.00 -999 ? >ASP~C 84 85.37 40.03 21.00 83.46 40.34 21.83 84.42 40.18 21.42 2 0 1000.00 -999 ? >ALA~C 85 89.70 40.09 20.48 90.31 41.48 20.38 90.00 40.78 20.43 2 0 1000.00 -999 ? >LEU~C 86 91.41 38.66 24.82 92.47 40.38 25.65 91.94 39.52 25.24 3 0 1000.00 -999 ? >LEU~C 87 87.95 35.11 22.76 87.05 33.24 23.38 87.50 34.18 23.07 3 0 1000.00 -999 ? >LYS~C 88 90.08 35.40 18.97 89.91 39.15 14.04 90.00 37.28 16.50 2 0 1000.00 -999 ? >LYS~C 89 93.76 35.75 19.95 98.02 39.98 22.07 95.89 37.87 21.01 2 0 1000.00 -999 ? >ARG~C 90 92.36 31.10 25.54 89.66 30.42 26.76 91.01 30.76 26.15 2 0 1000.00 -999 ? >THR~C 91 92.14 30.63 19.93 90.25 30.32 19.01 91.20 30.47 19.47 2 0 1000.00 -999 ? >LEU~C 92 95.25 33.00 17.11 96.63 33.48 15.51 95.94 33.24 16.31 3 0 1000.00 -999 ? >TYR~C 93 99.01 32.69 20.25 99.96 35.19 19.46 99.49 33.94 19.85 3 0 1000.00 -999 ? >SER~C 94 96.15 27.42 20.87 94.90 27.77 22.94 95.52 27.60 21.90 2 0 1000.00 -999 ? >ASP~C 95 94.51 26.83 16.31 92.45 26.74 16.81 93.48 26.79 16.56 2 0 1000.00 -999 ? >LEU~C 96 99.51 28.42 16.19 101.13 28.96 14.91 100.32 28.69 15.55 3 0 1000.00 -999 ? >ALA~C 97 100.47 25.24 19.06 100.31 25.60 20.54 100.39 25.42 19.80 2 0 1000.00 -999 ? >ASP~C 98 97.34 21.60 19.68 95.62 22.50 18.86 96.48 22.05 19.27 2 0 1000.00 -999 ? >GLN~C 99 99.33 23.21 12.83 98.37 21.85 11.50 98.85 22.53 12.16 2 0 1000.00 -999 ? >LEU~C 100 103.64 23.26 16.62 104.39 25.17 16.00 104.02 24.21 16.31 3 0 1000.00 -999 ? >THR~C 101 102.54 19.12 18.31 102.05 20.17 20.10 102.30 19.65 19.20 2 0 1000.00 -999 ? >SER~C 102 99.26 17.26 17.68 96.91 16.96 18.41 98.09 17.11 18.05 2 0 1000.00 -999 ? >ARG~C 103 100.28 19.07 10.60 100.01 20.92 8.14 100.15 20.00 9.37 2 0 1000.00 -999 ? >GLN~C 104 105.30 15.54 15.76 105.92 13.83 16.88 105.61 14.68 16.32 2 0 1000.00 -999 ? >ASP~C 105 101.58 11.87 18.17 102.03 9.95 19.01 101.80 10.91 18.59 2 0 1000.00 -999 ? >SER.C 108 103.22 9.49 10.73 105.40 8.41 10.52 104.31 8.95 10.63 2 0 1000.00 -999 ? >ARG.C 109 99.47 6.57 9.58 97.64 8.12 11.49 98.56 7.34 10.53 2 0 1000.00 -999 ? >SER.C 110 105.76 6.88 6.61 106.50 9.11 6.16 106.13 8.00 6.39 2 0 1000.00 -999 ? >GLU.C 111 110.92 6.27 4.98 111.62 4.72 3.81 111.27 5.49 4.39 2 0 1000.00 -999 ? >ILE.C 112 110.12 11.49 5.72 110.41 12.32 4.46 110.26 11.90 5.09 3 0 1000.00 -999 ? >LYS.C 113 110.46 12.83 10.14 113.46 11.89 14.96 111.96 12.36 12.55 2 0 1000.00 -999 ? >TYR^C 114 105.64 14.76 10.20 103.93 13.30 8.55 104.79 14.03 9.37 3 0 1000.00 -999 ? >VAL^C 115 109.47 19.09 11.56 111.62 19.39 11.27 110.54 19.24 11.41 3 0 1000.00 -999 ? >ALA^C 116 107.96 22.17 13.20 107.60 22.18 14.66 107.78 22.18 13.93 2 0 1000.00 -999 ? >THR.C 117 109.02 25.55 12.02 107.82 25.75 10.33 108.42 25.65 11.17 2 0 1000.00 -999 ? >MET?C 118 108.51 27.23 15.42 105.44 29.85 14.01 106.98 28.54 14.71 2 0 1000.00 -999 ? >ASP~C 119 110.05 27.36 20.06 110.42 26.32 21.88 110.24 26.84 20.97 2 0 1000.00 -999 ? >ALA~C 120 105.72 25.22 20.33 105.29 23.79 20.28 105.51 24.51 20.31 2 0 1000.00 -999 ? >ARG~C 121 109.90 25.46 26.32 108.84 24.40 28.99 109.37 24.93 27.65 2 0 1000.00 -999 ? >GLU~C 122 109.22 30.46 22.21 109.44 32.11 23.52 109.33 31.29 22.87 2 0 1000.00 -999 ? >ILE~C 123 103.07 28.69 20.07 102.84 29.70 19.18 102.95 29.20 19.62 3 0 1000.00 -999 ? >ARG~C 124 101.41 24.41 25.89 102.58 24.26 28.75 101.99 24.33 27.32 2 0 1000.00 -999 ? >LYS~C 125 103.27 30.64 26.45 109.48 30.34 27.56 106.38 30.49 27.00 2 0 1000.00 -999 ? >LYS~C 126 101.71 33.26 24.17 104.82 36.06 19.41 103.27 34.66 21.79 2 0 1000.00 -999 ? >ALA~C 127 98.37 31.37 24.35 98.12 29.94 23.88 98.24 30.65 24.12 2 0 1000.00 -999 ? >ASP~C 128 99.78 30.05 28.75 99.56 27.92 28.79 99.67 28.98 28.77 2 0 1000.00 -999 ? >LEU~C 129 100.29 35.27 27.80 100.91 37.34 27.90 100.60 36.30 27.85 3 0 1000.00 -999 ? >ALA~C 130 96.26 35.53 26.12 96.13 35.26 24.63 96.20 35.39 25.38 2 0 1000.00 -999 ? >ALA~C 131 94.14 33.16 28.23 94.43 31.71 28.41 94.29 32.43 28.32 2 0 1000.00 -999 ? >LYS~C 132 94.92 34.74 31.58 98.40 32.84 36.15 96.66 33.79 33.87 2 0 1000.00 -999 ? >GLU~C 133 96.38 39.13 29.34 97.35 40.41 27.95 96.86 39.77 28.64 2 0 1000.00 -999 ? >TYR~C 134 89.09 35.43 27.58 86.41 34.81 27.16 87.75 35.12 27.37 3 0 1000.00 -999 ? >ARG~C 135 88.03 33.47 32.36 85.90 31.37 32.95 86.96 32.42 32.66 2 0 1000.00 -999 ? >GLN~C 136 92.31 40.51 35.04 92.00 39.86 37.05 92.15 40.19 36.05 2 0 1000.00 -999 ? >LEU~C 137 89.21 41.19 30.11 88.35 42.99 29.25 88.78 42.09 29.68 3 0 1000.00 -999 ? >ASP~C 138 85.87 37.27 31.16 83.96 36.41 31.21 84.91 36.84 31.18 2 0 1000.00 -999 ? >VAL~C 139 85.61 38.60 35.30 86.52 37.27 36.75 86.07 37.93 36.02 3 0 1000.00 -999 ? >ASP~C 140 87.36 43.19 35.13 89.10 42.91 36.32 88.23 43.05 35.72 2 0 1000.00 -999 ? >ILE~C 141 83.29 42.44 31.62 83.17 42.86 30.16 83.23 42.65 30.89 3 0 1000.00 -999 ? >GLN~C 142 81.27 37.96 33.93 79.46 38.03 32.81 80.36 37.99 33.37 2 0 1000.00 -999 ? >ARG~C 143 84.23 43.34 40.76 86.55 41.33 40.76 85.39 42.34 40.76 2 0 1000.00 -999 ? >LEU~C 144 81.60 46.35 35.36 82.49 48.25 34.99 82.04 47.30 35.18 3 0 1000.00 -999 ? >ASN~C 145 77.75 42.83 34.04 78.18 42.98 31.94 77.96 42.90 32.99 2 0 1000.00 -999 ? >TRP~C 146 76.83 39.89 37.83 73.05 39.50 38.72 74.94 39.70 38.27 3 0 1000.00 -999 ? >GLN.C 147 79.43 47.28 39.93 81.17 46.87 41.11 80.30 47.08 40.52 2 0 1000.00 -999 ? >THR.C 148 75.43 48.85 36.86 76.66 49.33 35.15 76.05 49.09 36.00 2 0 1000.00 -999 ? >GLU.C 149 71.11 51.09 38.53 70.65 52.87 39.53 70.88 51.98 39.03 2 0 1000.00 -999 ? >LEU.C 150 69.45 48.37 32.50 68.97 47.61 30.50 69.21 47.99 31.50 3 0 1000.00 -999 ? >GLN.C 151 71.88 54.40 31.13 72.28 56.25 30.16 72.08 55.32 30.64 2 0 1000.00 -999 ? >ALA.D 0 90.96 35.43 48.81 90.70 35.50 50.32 90.83 35.46 49.56 2 0 1000.00 -999 ? >MET?D 1 88.02 36.79 46.80 89.11 33.94 43.84 88.57 35.37 45.32 2 0 1000.00 -999 ? >TYR~D 2 83.39 39.00 45.85 83.13 41.51 47.05 83.26 40.25 46.45 3 0 1000.00 -999 ? >LEU~D 3 81.33 32.77 46.16 80.32 30.86 46.25 80.82 31.81 46.21 3 0 1000.00 -999 ? >ALA~D 4 81.69 34.23 41.88 81.00 35.52 41.43 81.35 34.88 41.66 2 0 1000.00 -999 ? >GLU~D 5 85.94 37.17 41.75 87.35 38.44 42.75 86.64 37.81 42.25 2 0 1000.00 -999 ? >ALA~D 6 86.03 31.29 42.48 85.72 30.88 43.90 85.88 31.09 43.19 2 0 1000.00 -999 ? >LEU~D 7 81.98 30.00 40.15 80.83 29.49 41.94 81.40 29.75 41.04 3 0 1000.00 -999 ? >ALA~D 8 85.20 31.19 37.24 85.36 32.67 37.01 85.28 31.93 37.13 2 0 1000.00 -999 ? >GLN~D 9 90.28 31.63 39.49 91.28 32.19 41.27 90.78 31.91 40.38 2 0 1000.00 -999 ? >ARG~D 10 84.97 23.80 40.41 82.62 24.52 38.60 83.79 24.16 39.50 2 0 1000.00 -999 ? >VAL~D 11 86.06 26.42 35.28 84.32 27.18 34.19 85.19 26.80 34.74 3 0 1000.00 -999 ? >GLU~D 12 91.24 29.48 33.45 90.89 30.20 31.47 91.06 29.84 32.46 2 0 1000.00 -999 ? >ALA~D 13 91.44 25.32 35.72 91.55 25.21 37.23 91.49 25.26 36.48 2 0 1000.00 -999 ? >GLN~D 14 87.61 22.29 36.51 86.58 20.77 37.61 87.10 21.53 37.06 2 0 1000.00 -999 ? >ARG~D 15 89.05 26.40 28.62 91.54 28.11 28.93 90.30 27.26 28.77 2 0 1000.00 -999 ? >ARG~D 16 95.41 26.93 32.80 98.37 26.47 33.42 96.89 26.70 33.11 2 0 1000.00 -999 ? >TYR~D 17 92.96 18.60 34.66 93.26 15.96 35.44 93.11 17.28 35.05 3 0 1000.00 -999 ? >SER~D 18 91.64 18.89 30.25 89.87 18.69 28.60 90.75 18.79 29.42 2 0 1000.00 -999 ? >GLU~D 19 92.79 22.56 26.69 92.87 24.61 26.24 92.83 23.58 26.46 2 0 1000.00 -999 ? >LEU~D 20 97.67 20.20 30.87 98.37 22.21 31.25 98.02 21.20 31.06 3 0 1000.00 -999 ? >ASN~D 21 94.47 15.88 30.52 94.22 13.81 31.04 94.34 14.84 30.78 2 0 1000.00 -999 ? >GLN~D 22 93.80 16.44 24.21 93.89 14.31 24.19 93.85 15.38 24.20 2 0 1000.00 -999 ? >LEU~D 23 99.43 18.76 25.99 101.02 19.85 25.04 100.23 19.30 25.51 3 0 1000.00 -999 ? >LEU~D 24 100.04 14.72 29.15 101.32 14.07 30.68 100.68 14.39 29.92 3 0 1000.00 -999 ? >LEU~D 25 97.65 11.63 25.88 96.38 10.66 27.32 97.01 11.15 26.60 3 0 1000.00 -999 ? >ASP~D 26 99.61 14.59 21.87 97.53 14.72 21.44 98.57 14.66 21.65 2 0 1000.00 -999 ? >VAL~D 27 103.52 13.96 23.69 104.52 15.58 24.78 104.02 14.77 24.24 3 0 1000.00 -999 ? >ALA.D 28 103.80 10.62 25.56 102.66 9.86 26.21 103.23 10.24 25.88 2 0 1000.00 -999 ? >LYS^D 29 105.33 9.11 22.40 104.48 3.16 22.19 104.90 6.14 22.29 2 0 1000.00 -999 ? >VAL^D 30 107.90 10.86 20.24 109.71 11.96 20.84 108.81 11.41 20.54 3 0 1000.00 -999 ? >GLN^D 31 109.18 11.54 14.59 108.49 13.35 13.80 108.83 12.45 14.20 2 0 1000.00 -999 ? >GLU.D 32 112.97 5.78 16.49 114.86 5.47 17.38 113.92 5.63 16.93 2 0 1000.00 -999 ? >GLY.D 33 115.29 10.51 16.65 114.74 10.58 17.17 115.01 10.55 16.91 1 0 1000.00 -999 ? >ASP.D 34 113.89 14.67 17.92 111.94 14.32 17.12 112.92 14.50 17.52 2 0 1000.00 -999 ? >GLN.D 35 115.08 15.91 22.66 115.47 15.39 24.68 115.28 15.65 23.67 2 0 1000.00 -999 ? >PRO.D 36 109.95 15.11 24.82 109.92 16.06 22.75 109.93 15.59 23.78 3 0 1000.00 -999 ? >ALA.D 37 107.40 19.42 21.73 105.98 19.41 21.19 106.69 19.42 21.46 2 0 1000.00 -999 ? >GLU.D 38 104.89 21.46 25.23 105.13 23.45 25.83 105.01 22.45 25.53 2 0 1000.00 -999 ? >ASN~D 39 109.80 18.63 29.16 110.67 16.93 30.09 110.23 17.78 29.63 2 0 1000.00 -999 ? >PRO~D 40 107.32 14.23 27.85 106.77 15.88 29.21 107.04 15.06 28.53 3 0 1000.00 -999 ? >HIS~D 41 109.54 13.65 32.85 110.10 11.80 32.04 109.82 12.73 32.44 3 0 1000.00 -999 ? >GLU~D 42 109.28 20.54 32.66 110.05 21.91 31.23 109.66 21.22 31.94 2 0 1000.00 -999 ? >ILE~D 43 103.35 18.54 30.47 102.67 18.64 29.22 103.01 18.59 29.84 3 0 1000.00 -999 ? >LEU~D 44 103.58 14.91 34.43 102.54 13.33 35.46 103.06 14.12 34.94 3 0 1000.00 -999 ? >THR~D 45 103.83 18.35 37.26 106.00 18.41 37.61 104.91 18.38 37.44 2 0 1000.00 -999 ? >GLU~D 46 102.71 23.28 34.15 102.34 24.06 32.20 102.52 23.67 33.18 2 0 1000.00 -999 ? >LEU~D 47 98.89 17.96 35.12 97.60 16.96 33.79 98.25 17.46 34.45 3 0 1000.00 -999 ? >GLU~D 48 100.89 15.65 38.85 102.85 14.85 39.01 101.87 15.25 38.93 2 0 1000.00 -999 ? >GLU~D 49 102.06 22.07 40.87 103.61 23.31 40.14 102.83 22.69 40.51 2 0 1000.00 -999 ? >LEU~D 50 95.94 22.08 37.51 95.48 23.74 36.22 95.71 22.91 36.87 3 0 1000.00 -999 ? >THR~D 51 94.81 19.26 40.58 94.93 17.19 40.10 94.87 18.22 40.34 2 0 1000.00 -999 ? >THR~D 52 95.76 20.21 44.16 97.81 19.65 44.60 96.79 19.93 44.38 2 0 1000.00 -999 ? >ARG~D 53 94.40 26.70 41.17 94.44 29.77 41.52 94.42 28.24 41.34 2 0 1000.00 -999 ? >ILE~D 54 91.11 21.90 40.67 90.47 21.57 39.37 90.79 21.74 40.02 3 0 1000.00 -999 ? >ASN~D 55 91.43 19.36 45.06 91.50 18.01 43.43 91.47 18.69 44.25 2 0 1000.00 -999 ? >ASP~D 56 92.42 24.39 46.89 92.77 25.52 48.62 92.60 24.95 47.76 2 0 1000.00 -999 ? >LEU~D 57 88.71 26.22 43.77 89.76 27.75 42.73 89.24 26.99 43.25 3 0 1000.00 -999 ? >VAL~D 58 86.12 23.01 45.26 85.78 21.16 44.17 85.95 22.09 44.72 3 0 1000.00 -999 ? >ARG~D 59 88.01 19.52 50.69 90.28 19.51 52.75 89.14 19.51 51.72 2 0 1000.00 -999 ? >ARG~D 60 89.32 27.99 50.47 89.76 31.01 50.16 89.54 29.50 50.32 2 0 1000.00 -999 ? >ILE~D 61 83.41 26.43 45.70 83.24 26.77 44.35 83.32 26.60 45.02 3 0 1000.00 -999 ? >ASN~D 62 82.24 22.37 48.95 81.95 21.07 47.30 82.09 21.72 48.12 2 0 1000.00 -999 ? >ARG~D 63 85.17 24.43 54.54 87.92 23.36 53.66 86.55 23.90 54.10 2 0 1000.00 -999 ? >THR~D 64 80.86 28.57 51.47 81.87 29.74 49.97 81.36 29.16 50.72 2 0 1000.00 -999 ? >ASN~D 65 77.80 26.27 48.37 78.10 27.12 46.45 77.95 26.69 47.41 2 0 1000.00 -999 ? >SER~D 66 76.77 25.25 52.53 78.44 23.89 53.61 77.61 24.57 53.07 2 0 1000.00 -999 ? >VAL.D 67 77.25 28.13 54.96 79.00 28.16 56.26 78.12 28.15 55.61 3 0 1000.00 -999 ? >THR.D 68 76.09 31.23 53.08 76.94 32.35 51.44 76.51 31.79 52.26 2 0 1000.00 -999 ? >GLU^D 69 71.92 33.88 55.42 70.46 34.46 56.90 71.19 34.17 56.16 2 0 1000.00 -999 ? >PHE^D 70 69.32 31.57 48.29 67.84 32.21 46.03 68.58 31.89 47.16 3 0 1000.00 -999 ? >SER^D 71 66.99 33.04 52.16 65.28 31.61 51.21 66.13 32.32 51.69 2 0 1000.00 -999 ? >GLU.D 72 62.87 32.76 56.67 64.16 33.98 57.83 63.51 33.37 57.25 2 0 1000.00 -999 ? >GLY.D 73 65.97 28.68 56.05 66.18 29.05 55.36 66.08 28.87 55.71 1 0 1000.00 -999 ? >MET?D 74 67.85 28.09 52.82 65.29 27.76 49.56 66.57 27.93 51.19 2 0 1000.00 -999 ? >THR.D 75 71.60 27.75 52.43 72.14 25.72 52.96 71.87 26.73 52.69 2 0 1000.00 -999 ? >LEU~D 76 74.29 29.35 48.74 74.64 30.21 46.81 74.46 29.78 47.77 3 0 1000.00 -999 ? >ALA~D 77 73.74 24.83 48.67 74.47 23.97 49.70 74.11 24.40 49.19 2 0 1000.00 -999 ? >ASP~D 78 69.23 24.63 50.35 69.69 23.47 52.07 69.46 24.05 51.21 2 0 1000.00 -999 ? >ALA~D 79 69.17 26.78 46.45 69.38 28.25 46.59 69.28 27.51 46.52 2 0 1000.00 -999 ? >LEU~D 80 73.21 25.14 44.28 74.70 26.62 43.67 73.95 25.88 43.98 3 0 1000.00 -999 ? >SER~D 81 70.01 22.00 44.08 69.51 21.33 46.37 69.76 21.66 45.23 2 0 1000.00 -999 ? >VAL~D 82 66.52 23.49 43.77 65.07 24.64 44.89 65.80 24.07 44.33 3 0 1000.00 -999 ? >ARG~D 83 70.52 27.54 39.04 73.55 27.56 39.36 72.04 27.55 39.20 2 0 1000.00 -999 ? >ASP~D 84 69.99 20.92 39.96 71.91 21.73 40.26 70.95 21.33 40.11 2 0 1000.00 -999 ? >ALA~D 85 65.64 20.41 40.02 65.06 20.30 41.40 65.35 20.35 40.71 2 0 1000.00 -999 ? >LEU~D 86 63.94 24.74 38.62 62.80 25.56 40.25 63.37 25.15 39.44 3 0 1000.00 -999 ? >LEU~D 87 67.42 22.70 35.03 68.32 23.35 33.20 67.87 23.03 34.12 3 0 1000.00 -999 ? >LYS~D 88 65.30 18.87 35.27 65.55 13.94 39.03 65.43 16.41 37.15 2 0 1000.00 -999 ? >LYS~D 89 61.62 19.86 35.62 57.31 21.95 39.87 59.47 20.90 37.75 2 0 1000.00 -999 ? >ARG~D 90 63.03 25.46 31.03 65.73 26.71 30.34 64.38 26.09 30.68 2 0 1000.00 -999 ? >THR~D 91 63.27 19.86 30.53 65.15 18.93 30.21 64.21 19.40 30.37 2 0 1000.00 -999 ? >LEU~D 92 60.18 16.96 32.85 58.73 15.42 33.34 59.45 16.19 33.10 3 0 1000.00 -999 ? >TYR~D 93 56.43 20.15 32.60 55.42 19.37 35.07 55.93 19.76 33.83 3 0 1000.00 -999 ? >SER~D 94 59.29 20.79 27.31 60.49 22.87 27.61 59.89 21.83 27.46 2 0 1000.00 -999 ? >ASP~D 95 60.90 16.24 26.74 62.95 16.71 26.65 61.93 16.47 26.69 2 0 1000.00 -999 ? >LEU~D 96 55.91 16.16 28.28 54.34 14.84 28.83 55.13 15.50 28.56 3 0 1000.00 -999 ? >ALA~D 97 54.96 19.02 25.11 55.14 20.49 25.45 55.05 19.76 25.28 2 0 1000.00 -999 ? >ASP~D 98 58.09 19.61 21.48 59.81 18.78 22.35 58.95 19.20 21.91 2 0 1000.00 -999 ? >GLN~D 99 56.08 12.78 23.04 57.06 11.46 21.67 56.57 12.12 22.36 2 0 1000.00 -999 ? >LEU~D 100 51.79 16.59 23.13 51.06 15.94 25.05 51.42 16.27 24.09 3 0 1000.00 -999 ? >THR~D 101 52.92 18.23 19.00 53.39 20.09 20.05 53.16 19.16 19.53 2 0 1000.00 -999 ? >SER~D 102 56.25 18.06 17.16 57.49 20.06 17.89 56.87 19.06 17.52 2 0 1000.00 -999 ? >ARG.D 106 55.72 15.44 10.23 53.52 15.74 8.08 54.62 15.59 9.15 2 0 1000.00 -999 ? >SER.D 108 54.46 9.99 7.23 56.90 9.90 7.48 55.68 9.95 7.35 2 0 1000.00 -999 ? >ARG.D 109 53.10 6.82 1.94 52.90 3.79 1.21 53.00 5.31 1.57 2 0 1000.00 -999 ? >SER.D 110 48.67 6.65 7.32 48.26 8.03 9.26 48.47 7.34 8.29 2 0 1000.00 -999 ? >GLU.D 111 44.94 4.82 4.63 43.97 3.18 3.74 44.46 4.00 4.19 2 0 1000.00 -999 ? >ILE.D 112 44.45 5.39 11.38 45.44 4.08 11.83 44.94 4.73 11.60 3 0 1000.00 -999 ? >LYS.D 113 44.99 9.90 12.76 39.93 13.37 13.21 42.46 11.63 12.99 2 0 1000.00 -999 ? >TYR.D 114 49.91 10.00 14.71 51.74 8.32 13.44 50.82 9.16 14.08 3 0 1000.00 -999 ? >VAL.D 115 46.22 11.51 18.97 44.15 11.16 19.34 45.18 11.33 19.15 3 0 1000.00 -999 ? >ALA.D 116 47.70 13.42 21.96 47.89 14.92 22.11 47.79 14.17 22.03 2 0 1000.00 -999 ? >THR.D 117 46.74 11.73 25.17 47.57 10.32 26.53 47.16 11.03 25.85 2 0 1000.00 -999 ? >MET?D 118 47.06 15.04 27.12 50.27 13.98 29.72 48.67 14.51 28.42 2 0 1000.00 -999 ? >ASP~D 119 45.62 19.60 27.40 44.88 21.24 26.29 45.25 20.42 26.84 2 0 1000.00 -999 ? >ALA~D 120 49.70 20.29 25.07 50.15 20.24 23.66 49.92 20.26 24.36 2 0 1000.00 -999 ? >ARG~D 121 45.49 26.25 25.34 46.55 28.91 24.29 46.02 27.58 24.81 2 0 1000.00 -999 ? >GLU~D 122 46.14 22.13 30.33 45.89 23.41 31.98 46.01 22.77 31.15 2 0 1000.00 -999 ? >ILE~D 123 52.30 19.99 28.53 52.54 19.11 29.57 52.42 19.55 29.05 3 0 1000.00 -999 ? >ARG~D 124 53.97 25.86 24.32 52.80 28.71 24.17 53.39 27.28 24.25 2 0 1000.00 -999 ? >LYS~D 125 52.09 26.36 30.51 45.88 27.44 30.25 48.99 26.90 30.38 2 0 1000.00 -999 ? >LYS~D 126 53.67 24.05 33.10 50.54 19.30 35.94 52.11 21.68 34.52 2 0 1000.00 -999 ? >ALA~D 127 57.01 24.26 31.24 57.23 23.78 29.84 57.12 24.02 30.54 2 0 1000.00 -999 ? >ASP~D 128 55.60 28.69 29.95 55.82 28.74 27.82 55.71 28.72 28.88 2 0 1000.00 -999 ? >LEU~D 129 55.10 27.70 35.17 54.45 27.78 37.23 54.77 27.74 36.20 3 0 1000.00 -999 ? >ALA~D 130 59.16 26.03 35.43 59.29 24.54 35.21 59.22 25.28 35.32 2 0 1000.00 -999 ? >ALA~D 131 61.26 28.13 33.07 60.97 28.32 31.62 61.12 28.23 32.35 2 0 1000.00 -999 ? >LYS~D 132 60.44 31.50 34.67 56.95 36.03 32.77 58.70 33.77 33.72 2 0 1000.00 -999 ? >GLU~D 133 58.94 29.23 39.04 57.96 27.86 40.32 58.45 28.55 39.68 2 0 1000.00 -999 ? >TYR~D 134 66.26 27.52 35.38 68.94 27.10 34.77 67.60 27.31 35.07 3 0 1000.00 -999 ? >ARG~D 135 67.33 32.33 33.44 69.45 32.92 31.31 68.39 32.63 32.38 2 0 1000.00 -999 ? >GLN~D 136 63.00 34.96 40.47 63.33 36.97 39.82 63.17 35.96 40.14 2 0 1000.00 -999 ? >LEU~D 137 66.10 30.02 41.13 66.96 29.17 42.92 66.53 29.60 42.03 3 0 1000.00 -999 ? >ASP~D 138 69.47 31.08 37.24 71.38 31.18 36.41 70.42 31.13 36.83 2 0 1000.00 -999 ? >VAL~D 139 69.71 35.24 38.60 68.80 36.71 37.29 69.26 35.98 37.94 3 0 1000.00 -999 ? >ASP~D 140 67.96 35.06 43.16 66.22 36.26 42.88 67.09 35.66 43.02 2 0 1000.00 -999 ? >ILE~D 141 72.01 31.56 42.41 72.14 30.11 42.81 72.08 30.84 42.61 3 0 1000.00 -999 ? >GLN~D 142 74.10 33.91 37.94 75.88 32.78 38.01 74.99 33.34 37.97 2 0 1000.00 -999 ? >ARG~D 143 71.00 40.63 43.33 68.55 40.10 41.54 69.77 40.36 42.44 2 0 1000.00 -999 ? >LEU~D 144 73.71 35.28 46.35 72.79 34.90 48.24 73.25 35.09 47.29 3 0 1000.00 -999 ? >ASN~D 145 77.59 33.96 42.84 77.18 31.85 42.98 77.38 32.90 42.91 2 0 1000.00 -999 ? >TRP~D 146 78.47 37.75 39.92 82.26 38.69 39.51 80.36 38.22 39.72 3 0 1000.00 -999 ? >GLN.D 147 75.84 39.87 47.36 74.10 41.04 46.91 74.97 40.45 47.13 2 0 1000.00 -999 ? >THR.D 148 79.85 36.78 48.91 78.65 35.06 49.37 79.25 35.92 49.14 2 0 1000.00 -999 ? >GLU.D 149 84.15 38.44 51.14 84.60 39.44 52.95 84.38 38.94 52.04 2 0 1000.00 -999 ? >LEU.D 150 85.83 32.43 48.38 86.33 30.43 47.65 86.08 31.43 48.01 3 0 1000.00 -999 ? >GLN.D 151 83.42 31.05 54.42 83.00 30.07 56.26 83.21 30.56 55.34 2 0 1000.00 -999 ?