REMARK SOURCE hebe.pdb HEADER STRUCTURAL PROTEIN 18-SEP-07 2RBD COMPND BH2358 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; SOURCE 3 ORGANISM_TAXID: 272558; SOURCE 4 STRAIN: C-125, DSM 18197, FERM 7344, JCM 9153; SOURCE 5 ATCC: BAA-125; SOURCE 6 GENE: NP_243224.1, BH2358; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 58 8 HET MSE A 108 13 HET MSE A 132 8 HET MSE A 138 8 HET MSE A 147 8 HET MSE B 58 8 HET MSE B 108 13 HET MSE B 132 8 HET MSE B 138 13 HET MSE B 147 8 HET PG4 A 171 13 HET PG4 A 172 13 HET PG4 B 171 13 SITE 1 AC1 10 TYR B 24 THR B 27 ASN B 28 LEU B 31 SITE 1 AC2 10 TYR A 24 THR A 27 ASN A 28 ALA A 57 SITE 1 AC3 8 VAL A 115 GLN A 119 HOH A 219 HOH A 315 >ASN~A 7 2.66 44.10 86.87 2.87 44.23 84.74 2.76 44.16 85.80 2 0 25.39 -999 ? O5 PG4 A 171 >PRO~A 8 4.08 38.69 85.98 5.14 40.64 86.47 4.61 39.66 86.22 3 0 22.50 -999 ? O5 PG4 A 171 >GLN~A 9 5.48 40.87 81.53 3.45 40.37 81.14 4.46 40.62 81.33 2 0 20.19 -999 ? O5 PG4 A 171 >GLU~A 11 8.97 42.24 88.50 8.47 40.25 89.26 8.72 41.25 88.88 2 0 22.60 -999 ? C3 PG4 B 171 >PRO.A 12 14.70 44.28 86.92 13.15 43.59 85.46 13.93 43.94 86.19 3 0 23.71 -999 ? C1 PG4 A 172 >LEU.A 13 14.88 39.84 81.92 13.28 39.21 80.56 14.08 39.52 81.24 3 0 17.24 -999 ? O1 PG4 A 171 >HIS~A 14 17.71 36.39 86.06 17.44 34.31 85.96 17.58 35.35 86.01 3 0 15.16 -999 ? C1 PG4 A 172 >TYR~A 15 23.15 39.37 83.19 24.50 41.77 82.96 23.82 40.57 83.07 3 0 17.56 -999 ? C1 PG4 A 172 >GLY~A 16 20.17 34.24 82.67 19.71 34.87 82.47 19.94 34.56 82.57 1 0 11.88 -999 ? C1 PG4 A 172 >GLU~A 17 15.00 34.89 83.41 13.84 36.10 84.77 14.42 35.49 84.09 2 0 16.95 -999 ? C1 PG4 A 172 >VAL~A 18 18.01 37.15 78.76 18.49 39.30 78.58 18.25 38.22 78.67 3 0 15.01 -999 ? O1 PG4 A 171 >PHE~A 19 22.95 33.57 77.57 24.60 31.99 76.03 23.78 32.78 76.80 3 0 9.19 -999 ? C1 PG4 A 172 >SER~A 20 18.62 31.68 77.73 16.98 31.63 79.50 17.80 31.66 78.61 2 0 10.26 -999 ? C1 PG4 A 172 >THR~A 21 15.64 33.23 75.86 13.95 34.46 76.52 14.80 33.85 76.19 2 0 10.40 -999 ? O1 PG4 A 171 >TRP~A 22 19.54 37.48 71.76 22.58 35.38 70.54 21.06 36.43 71.15 3 0 12.11 -999 ? O1 PG4 A 171 >THR~A 23 19.73 31.49 72.82 21.44 30.56 73.77 20.58 31.03 73.29 2 0 8.39 -999 ? C1 PG4 A 172 >TYR~A 24 14.28 28.46 73.42 12.25 26.59 73.06 13.27 27.53 73.24 3 0 -3.50 -999 ? O1 PG4 A 171s >LEU~A 25 14.99 33.44 70.10 13.90 34.77 68.74 14.44 34.10 69.42 3 0 8.26 -999 ? O1 PG4 A 171 >SER~A 26 18.56 31.59 68.01 20.19 33.14 68.93 19.37 32.36 68.47 2 0 9.02 -999 ? O1 PG4 A 171 >THR~A 27 18.27 27.80 68.22 18.81 26.37 69.69 18.54 27.09 68.95 2 0 -3.93 -999 ? O1 PG4 A 171s >ASN~A 28 13.52 28.68 67.35 12.39 27.56 68.79 12.95 28.12 68.07 2 0 -3.60 -999 ? O1 PG4 A 171s >ASN~A 29 16.68 31.53 64.06 15.54 33.18 64.74 16.11 32.36 64.40 2 0 9.35 -999 ? O1 PG4 A 171 >GLY~A 30 18.60 27.65 63.03 17.80 27.51 63.18 18.20 27.58 63.11 1 0 8.58 -999 ? O1 PG4 A 171 >LEU~A 31 15.62 24.15 64.54 16.57 22.75 65.91 16.09 23.45 65.22 3 0 5.14 -999 ? C4 PG4 A 171 >ILE~A 32 13.02 27.83 61.34 11.92 28.71 61.56 12.47 28.27 61.45 3 0 9.51 -999 ? C4 PG4 A 171 >ASN~A 33 17.57 27.77 58.62 18.93 27.63 56.99 18.25 27.70 57.81 2 0 14.30 -999 ? O1 PG4 A 171 >GLY~A 34 17.55 23.29 58.67 16.79 23.57 58.62 17.17 23.43 58.65 1 0 11.04 -999 ? C4 PG4 A 171 >TYR~A 35 13.35 21.34 61.07 13.92 20.22 63.56 13.63 20.78 62.31 3 0 6.17 -999 ? C4 PG4 A 171 >ARG~A 36 12.19 27.65 56.24 10.82 30.28 56.99 11.51 28.97 56.61 2 0 13.89 -999 ? C5 PG4 A 171 >SER~A 37 16.11 22.30 53.93 18.34 21.68 53.34 17.23 21.99 53.64 2 0 16.09 -999 ? C4 PG4 A 171 >PHE~A 38 15.96 18.19 57.43 18.20 17.61 58.97 17.08 17.90 58.20 3 0 11.74 -999 ? C4 PG4 A 171 >ILE~A 39 10.60 20.77 53.60 9.09 20.43 53.90 9.85 20.60 53.75 3 0 13.78 -999 ? C5 PG4 A 171 >ASN~A 40 14.27 20.68 49.80 13.22 22.49 49.36 13.74 21.58 49.58 2 0 18.44 -999 ? C5 PG4 A 171 >HIS~A 41 17.59 17.04 51.88 19.42 17.99 51.45 18.51 17.52 51.67 3 0 18.19 -999 ? C4 PG4 A 171 >THR.A 42 12.36 14.17 52.21 10.78 14.23 53.65 11.57 14.20 52.93 2 0 15.55 -999 ? C5 PG4 A 171 >GLY.A 43 10.24 11.78 50.27 10.05 11.99 51.07 10.15 11.88 50.67 1 0 19.67 -999 ? C5 PG4 A 171 >ASP~A 44 8.28 9.85 54.13 6.71 8.91 55.12 7.50 9.38 54.63 2 0 17.73 -999 ? C6 PG4 A 171 >GLU~A 45 2.33 13.68 52.41 3.14 15.61 51.95 2.73 14.64 52.18 2 0 17.72 -999 ? C6 PG4 A 171 >ASP~A 46 3.72 10.50 57.31 2.08 9.49 56.42 2.90 10.00 56.86 2 0 17.60 -999 ? C6 PG4 A 171 >LEU~A 47 8.71 12.40 57.37 10.62 12.82 58.33 9.67 12.61 57.85 3 0 12.96 -999 ? C5 PG4 A 171 >LYS~A 48 7.03 16.18 55.63 7.53 17.34 49.74 7.28 16.76 52.68 2 0 18.40 -999 ? C5 PG4 A 171 >ASN~A 49 2.55 16.16 57.50 1.36 16.03 55.73 1.95 16.09 56.62 2 0 15.06 -999 ? C6 PG4 A 171 >LEU~A 50 5.89 15.49 61.46 4.64 14.24 62.79 5.27 14.87 62.13 3 0 9.15 -999 ? C6 PG4 A 171 >ILE~A 51 9.39 18.71 58.48 10.63 18.50 57.81 10.01 18.60 58.15 3 0 9.73 -999 ? C5 PG4 A 171 >ASP~A 52 4.84 21.37 57.48 5.46 21.71 55.47 5.15 21.54 56.47 2 0 12.80 -999 ? C6 PG4 A 171 >GLU~A 53 2.93 20.35 63.80 1.95 18.75 64.67 2.44 19.55 64.24 2 0 7.30 -999 ? C7 PG4 A 171 >ALA~A 54 7.50 21.73 63.71 8.71 20.81 63.63 8.10 21.27 63.67 2 0 4.19 -999 ? C5 PG4 A 171 >ILE~A 55 8.52 24.89 60.15 9.17 25.01 58.93 8.85 24.95 59.54 3 0 8.90 -999 ? C5 PG4 A 171 >GLN~A 56 2.52 26.91 62.43 2.83 28.97 61.93 2.67 27.94 62.18 2 0 10.92 -999 ? C7 PG4 A 171 >ALA~A 57 5.30 25.53 66.15 5.43 24.12 66.72 5.37 24.83 66.44 2 0 -3.62 -999 ? C7 PG4 A 171s >MET?A 58 8.73 27.18 66.33 12.20 24.73 65.73 10.46 25.95 66.03 2 0 4.00 -999 ? C4 PG4 A 171 >GLN~A 59 7.92 30.04 62.02 7.18 29.78 60.06 7.55 29.91 61.04 2 0 11.67 -999 ? O4 PG4 A 171 >ASP~A 60 3.58 29.54 67.33 2.13 30.25 68.70 2.85 29.89 68.02 2 0 8.83 -999 ? C8 PG4 A 171 >GLU~A 61 7.53 27.81 70.63 8.91 26.27 71.08 8.22 27.04 70.86 2 0 -3.29 -999 ? O5 PG4 A 171s >ASN~A 62 9.99 32.66 66.76 11.67 31.38 66.67 10.83 32.02 66.71 2 0 7.52 -999 ? O1 PG4 A 171 >HIS~A 63 4.34 36.26 67.19 3.15 37.96 66.94 3.75 37.11 67.07 3 0 14.68 -999 ? O5 PG4 A 171 >GLN~A 64 4.38 33.69 72.30 3.77 31.95 73.35 4.08 32.82 72.82 2 0 9.57 -999 ? O5 PG4 A 171 >LEU~A 65 11.03 34.17 71.85 11.48 32.25 72.68 11.25 33.21 72.27 3 0 8.33 -999 ? O1 PG4 A 171 >GLU~A 66 10.98 37.26 67.59 10.08 36.55 65.80 10.53 36.90 66.70 2 0 12.65 -999 ? O1 PG4 A 171 >GLU~A 67 5.60 40.85 72.65 5.78 42.91 71.96 5.69 41.88 72.31 2 0 19.36 -999 ? O1 PG4 A 171 >LEU~A 68 9.78 38.04 75.69 10.32 37.58 77.76 10.05 37.81 76.72 3 0 14.22 -999 ? O1 PG4 A 171 >LEU~A 69 13.89 39.73 73.00 15.07 38.10 73.77 14.48 38.91 73.38 3 0 13.26 -999 ? O1 PG4 A 171 >ARG~A 70 10.42 43.53 68.28 8.12 41.53 67.92 9.27 42.53 68.10 2 0 17.25 -999 ? O1 PG4 A 171 >SER~A 71 9.81 44.83 75.01 8.41 43.00 75.87 9.11 43.92 75.44 2 0 19.02 -999 ? O1 PG4 A 171 >ASN~A 72 12.97 43.07 77.99 11.28 42.69 79.21 12.13 42.88 78.60 2 0 19.16 -999 ? O1 PG4 A 171 >GLY.A 73 15.49 46.14 75.15 15.45 45.33 75.26 15.47 45.73 75.21 1 0 20.69 -999 ? O1 PG4 A 171 >VAL.A 74 17.30 43.00 74.03 17.44 41.17 75.26 17.37 42.09 74.64 3 0 16.79 -999 ? O1 PG4 A 171 >GLY.A 75 18.69 42.71 70.50 18.45 42.13 71.01 18.57 42.42 70.76 1 0 17.15 -999 ? O1 PG4 A 171 >LEU.A 76 16.04 39.98 67.61 14.12 40.85 68.26 15.08 40.42 67.94 3 0 14.72 -999 ? O1 PG4 A 171 >PRO.A 77 18.23 35.58 67.99 19.03 37.55 67.29 18.63 36.56 67.64 3 0 11.61 -999 ? O1 PG4 A 171 >PRO.A 78 22.05 37.30 63.37 19.87 37.25 63.78 20.96 37.28 63.58 3 0 14.61 -999 ? O1 PG4 A 171 >ALA.A 79 17.74 34.42 61.43 16.25 34.40 61.56 17.00 34.41 61.49 2 0 12.47 -999 ? O1 PG4 A 171 >PRO.A 80 19.60 30.94 59.49 18.53 32.78 58.91 19.06 31.86 59.20 3 0 13.50 -999 ? O1 PG4 A 171 >PRO.A 81 18.02 33.49 53.94 16.76 33.24 55.76 17.39 33.37 54.85 3 0 17.61 -999 ? O1 PG4 A 171 >ASP.A 82 12.05 31.67 53.60 10.62 30.13 53.28 11.34 30.90 53.44 2 0 16.78 -999 ? C5 PG4 A 171 >ARG.A 83 16.30 26.04 53.27 19.28 25.67 53.29 17.79 25.86 53.28 2 0 16.99 -999 ? C4 PG4 A 171 >PRO.A 84 15.69 28.52 46.94 13.86 28.18 48.19 14.77 28.35 47.57 3 0 21.66 -999 ? C5 PG4 A 171 >ALA.A 85 11.82 24.69 46.69 10.47 24.55 45.95 11.14 24.62 46.32 2 0 21.82 -999 ? C5 PG4 A 171 >ALA.A 86 14.02 21.96 45.23 15.29 21.70 46.02 14.66 21.83 45.62 2 0 22.09 -999 ? C5 PG4 A 171 >LEU~A 88 13.21 14.68 45.86 13.34 13.59 47.67 13.27 14.14 46.77 3 0 22.14 -999 ? C5 PG4 A 171 >ASP~A 89 14.98 13.42 41.13 13.49 12.03 41.62 14.23 12.72 41.37 2 0 27.68 -999 ? C5 PG4 A 171 >ASP~A 90 17.62 18.21 41.37 16.52 18.38 39.59 17.07 18.30 40.48 2 0 28.77 -999 ? C5 PG4 A 171 >ILE~A 91 19.30 16.28 46.39 18.84 16.77 47.66 19.07 16.53 47.03 3 0 22.81 -999 ? C5 PG4 A 171 >PRO~A 92 24.20 16.67 44.03 22.72 15.09 44.55 23.46 15.88 44.29 3 0 27.06 -999 ? C4 PG4 A 171 >VAL~A 93 23.00 11.32 46.50 23.47 9.16 46.32 23.23 10.24 46.41 3 0 26.96 -999 ? C4 PG4 A 171 >GLY~A 94 26.10 12.14 48.59 25.47 12.63 48.47 25.79 12.38 48.53 1 0 25.82 -999 ? C4 PG4 A 171 >ALA~A 95 24.45 15.45 49.65 24.44 16.64 48.69 24.45 16.04 49.17 2 0 23.55 -999 ? C4 PG4 A 171 >ARG.A 96 17.93 13.69 49.31 15.66 11.77 48.41 16.79 12.73 48.86 2 0 22.01 -999 ? C5 PG4 A 171 >PHE.A 97 20.55 15.20 55.28 22.90 16.53 55.95 21.73 15.86 55.62 3 0 16.77 -999 ? C4 PG4 A 171 >ASN~A 98 18.00 8.98 53.81 19.45 8.97 52.25 18.73 8.97 53.03 2 0 21.64 -999 ? C4 PG4 A 171 >ASP~A 99 12.78 9.37 55.17 12.09 10.30 53.40 12.44 9.83 54.28 2 0 17.96 -999 ? C5 PG4 A 171 >PRO~A 100 15.33 6.11 57.13 14.97 8.10 58.00 15.15 7.10 57.57 3 0 17.98 -999 ? C5 PG4 A 171 >GLU~A 101 20.03 9.25 57.65 21.02 9.58 55.76 20.53 9.41 56.70 2 0 19.43 -999 ? C4 PG4 A 171 >ILE~A 102 15.09 13.69 57.90 14.71 14.52 56.81 14.90 14.11 57.36 3 0 13.27 -999 ? C5 PG4 A 171 >SER~A 103 13.41 11.83 61.53 11.49 10.55 62.23 12.45 11.19 61.88 2 0 12.00 -999 ? C5 PG4 A 171 >ALA~A 104 16.16 10.81 63.98 17.33 9.93 63.64 16.74 10.37 63.81 2 0 13.55 -999 ? C4 PG4 A 171 >THR~A 105 17.58 14.30 63.91 18.87 15.33 62.53 18.23 14.81 63.22 2 0 10.74 -999 ? C4 PG4 A 171 >ILE~A 106 13.11 16.03 63.58 12.18 16.74 62.77 12.64 16.39 63.18 3 0 6.95 -999 ? C5 PG4 A 171 >SER~A 107 13.49 13.53 67.36 12.38 11.67 66.29 12.94 12.60 66.82 2 0 9.89 -999 ? C5 PG4 A 171 >MET?A 108 16.85 14.33 69.00 20.02 13.60 70.47 18.44 13.97 69.73 2 0 10.58 -999 ? C3 PG4 A 171 >ASP~A 109 15.88 18.80 67.30 17.49 18.88 65.92 16.69 18.84 66.61 2 0 -6.22 -999 ? C3 PG4 A 171s >VAL~A 110 12.79 17.70 70.27 10.77 17.21 69.58 11.78 17.46 69.93 3 0 4.20 -999 ? O3 PG4 A 171 >ALA~A 111 14.28 15.78 73.21 15.04 14.47 73.13 14.66 15.12 73.17 2 0 8.26 -999 ? C3 PG4 A 171 >GLY~A 113 14.26 21.18 73.50 14.29 20.53 73.99 14.27 20.86 73.75 1 0 3.76 -999 ? O2 PG4 A 171 >LEU~A 114 11.91 18.07 76.39 9.99 17.26 75.83 10.95 17.66 76.11 3 0 7.99 -999 ? O2 PG4 A 171 >VAL~A 115 15.42 19.71 78.48 17.11 18.38 78.87 16.26 19.04 78.67 3 0 -5.49 -999 ? O3 PG4 A 172s >THR~A 116 16.13 23.31 77.50 17.14 24.20 75.86 16.63 23.76 76.68 2 0 5.47 -999 ? C1 PG4 A 171 >CYH~A 117 12.58 24.33 78.42 10.86 24.33 76.20 11.72 24.33 77.31 2 0 6.34 -999 ? C1 PG4 A 171 >SER~A 118 12.96 22.69 81.86 11.93 20.51 81.70 12.45 21.60 81.78 2 0 9.66 -999 ? C5 PG4 A 172 >GLN~A 119 18.19 22.95 81.43 19.67 22.73 79.93 18.93 22.84 80.68 2 0 -2.93 -999 ? C2 PG4 A 172s >ILE~A 120 14.35 28.33 80.25 14.48 29.23 79.09 14.42 28.78 79.67 3 0 9.48 -999 ? O1 PG4 A 171 >ILE~A 121 10.80 26.07 83.85 9.53 25.43 83.70 10.17 25.75 83.78 3 0 12.87 -999 ? O1 PG4 B 171 >GLY~A 122 14.13 26.25 86.69 14.17 26.90 86.27 14.15 26.57 86.48 1 0 11.40 -999 ? C6 PG4 B 171 >GLN~A 123 17.02 29.57 83.98 16.70 31.58 83.40 16.86 30.57 83.69 2 0 11.52 -999 ? C2 PG4 A 172 >SER~A 124 13.43 31.77 85.98 12.45 31.32 83.81 12.94 31.54 84.89 2 0 14.07 -999 ? C2 PG4 A 172 >ILE.A 125 13.56 35.31 89.14 14.40 35.74 90.29 13.98 35.52 89.71 3 0 18.68 -999 ? C3 PG4 B 171 >ARG~A 126 10.30 39.69 84.56 9.73 40.75 81.77 10.01 40.22 83.16 2 0 19.25 -999 ? O1 PG4 A 171 >GLU~A 127 5.94 34.50 88.87 4.28 35.07 90.15 5.11 34.79 89.51 2 0 17.89 -999 ? C3 PG4 B 171 >ASP~A 128 5.67 36.49 82.27 7.44 37.67 82.23 6.56 37.08 82.25 2 0 18.13 -999 ? O1 PG4 A 171 >VAL~A 129 9.12 33.56 81.59 11.18 34.37 81.33 10.15 33.96 81.46 3 0 14.31 -999 ? O1 PG4 A 171 >ALA~A 130 8.53 30.37 83.58 8.41 30.30 85.11 8.47 30.33 84.35 2 0 15.22 -999 ? C2 PG4 B 171 >LEU~A 131 3.90 31.21 82.67 1.83 30.83 83.01 2.86 31.02 82.84 3 0 14.84 -999 ? O5 PG4 A 171 >MET?A 132 5.93 30.69 78.70 8.18 33.32 76.13 7.05 32.01 77.41 2 0 11.24 -999 ? O5 PG4 A 171 >PHE~A 133 10.68 28.75 78.37 12.11 30.30 76.51 11.40 29.53 77.44 3 0 8.49 -999 ? O1 PG4 A 171 >SER~A 134 6.00 25.59 80.70 4.13 26.58 81.95 5.06 26.08 81.33 2 0 11.92 -999 ? O5 PG4 A 171 >PHE~A 136 7.63 27.55 74.63 7.73 30.20 73.72 7.68 28.88 74.17 3 0 6.39 -999 ? O5 PG4 A 171 >HIS~A 137 8.23 20.81 79.01 8.75 18.87 79.62 8.49 19.84 79.32 3 0 9.21 -999 ? O5 PG4 A 171 >MET?A 138 3.62 20.95 77.13 1.13 22.93 79.95 2.38 21.94 78.54 2 0 10.96 -999 ? O5 PG4 A 171 >ALA~A 139 3.36 21.41 73.37 3.39 22.75 72.62 3.38 22.08 73.00 2 0 3.76 -999 ? C8 PG4 A 171 >LYS~A 140 6.76 19.85 72.76 10.12 22.94 70.90 8.44 21.40 71.83 2 0 -2.84 -999 ? O5 PG4 A 171s >VAL~A 141 5.89 16.74 74.76 5.53 16.17 76.84 5.71 16.45 75.80 3 0 8.33 -999 ? C8 PG4 A 171 >GLN~A 142 0.86 17.07 73.61 0.42 15.18 74.48 0.64 16.12 74.05 2 0 10.39 -999 ? C8 PG4 A 171 >PHE~A 143 6.31 18.05 67.49 7.25 17.73 64.91 6.78 17.89 66.20 3 0 -4.11 -999 ? C6 PG4 A 171s >GLY~A 144 7.68 14.40 70.56 6.87 14.29 70.46 7.27 14.35 70.51 1 0 7.33 -999 ? C6 PG4 A 171 >GLY~A 145 5.01 11.75 71.03 5.18 12.18 70.35 5.09 11.97 70.69 1 0 10.41 -999 ? C7 PG4 A 171 >LYS~A 146 3.94 12.21 67.39 0.65 16.49 64.96 2.30 14.35 66.18 2 0 9.17 -999 ? C7 PG4 A 171 >MET?A 147 7.56 11.76 66.26 8.62 14.18 64.13 8.09 12.97 65.19 2 0 7.86 -999 ? C6 PG4 A 171 >LEU~A 148 7.66 8.41 69.75 8.42 6.78 70.95 8.04 7.60 70.35 3 0 13.77 -999 ? C6 PG4 A 171 >LYS~A 149 4.60 7.26 66.67 -0.53 9.16 69.75 2.03 8.21 68.21 2 0 14.68 -999 ? C7 PG4 A 171 >LEU~A 150 6.45 9.48 62.74 6.93 10.26 60.75 6.69 9.87 61.75 3 0 12.95 -999 ? C6 PG4 A 171 >ASN~A 151 10.32 6.76 64.86 11.34 8.56 64.35 10.83 7.66 64.60 2 0 13.12 -999 ? C5 PG4 A 171 >LYS~A 152 7.42 3.28 65.11 5.95 3.44 71.34 6.68 3.36 68.22 2 0 18.24 -999 ? C6 PG4 A 171 >ASN~A 153 3.94 4.33 61.88 2.84 3.93 60.09 3.39 4.13 60.99 2 0 19.75 -999 ? C6 PG4 A 171 >LYS~A 154 7.67 3.66 59.55 4.88 7.04 56.08 6.28 5.35 57.82 2 0 18.74 -999 ? C6 PG4 A 171 >GLY.A 155 10.06 1.14 61.11 10.20 1.96 61.00 10.13 1.55 61.06 1 0 21.09 -999 ? C5 PG4 A 171 >TRP.A 156 12.25 4.63 58.74 10.35 7.96 58.03 11.30 6.29 58.39 3 0 17.55 -999 ? C5 PG4 A 171 >LEU.A 157 12.03 3.23 66.31 11.90 3.90 68.34 11.96 3.57 67.33 3 0 17.76 -999 ? C5 PG4 A 171 >ILE.A 158 17.83 2.15 66.21 19.17 2.25 65.65 18.50 2.20 65.93 3 0 20.48 -999 ? C3 PG4 A 171 >PRO.A 159 15.74 -2.56 67.81 15.83 -0.46 68.60 15.78 -1.51 68.20 3 0 22.74 -999 ? C8 PG4 A 172 >PRO.A 160 16.36 1.26 73.10 17.46 -0.13 71.78 16.91 0.57 72.44 3 0 18.18 -999 ? O5 PG4 A 172 >PRO.A 161 20.97 -1.57 75.06 19.04 -2.35 74.19 20.01 -1.96 74.63 3 0 18.11 -999 ? O5 PG4 A 172 >LEU.A 162 14.87 -5.03 75.30 13.82 -4.03 73.67 14.34 -4.53 74.49 3 0 21.81 -999 ? O5 PG4 A 172 >HIS.A 163 14.22 -5.32 82.05 13.95 -6.29 83.87 14.08 -5.81 82.96 3 0 20.19 -999 ? O5 PG4 B 171 >SER.A 164 14.14 -9.17 80.08 14.31 -11.58 79.92 14.23 -10.37 80.00 2 0 26.42 -999 ? O5 PG4 A 172 >GLU.B 11 5.51 -2.42 73.55 5.11 -0.29 73.74 5.31 -1.36 73.65 2 0 22.50 -999 ? C6 PG4 A 171 >PRO.B 12 10.69 -5.46 75.52 9.08 -4.67 76.84 9.89 -5.06 76.18 3 0 23.61 -999 ? O5 PG4 A 172 >LEU.B 13 11.26 -1.40 80.54 9.86 -0.46 81.87 10.56 -0.93 81.21 3 0 17.27 -999 ? O5 PG4 B 171 >HIS~B 14 14.65 1.62 76.40 14.74 3.71 76.51 14.69 2.67 76.46 3 0 15.23 -999 ? C8 PG4 A 172 >TYR~B 15 19.58 -2.16 79.25 20.48 -4.74 79.52 20.03 -3.45 79.39 3 0 17.48 -999 ? O5 PG4 A 172 >GLY~B 16 17.46 3.37 79.80 16.87 2.84 79.98 17.16 3.10 79.89 1 0 11.90 -999 ? O5 PG4 A 172 >GLU~B 17 12.28 3.47 78.97 10.94 2.50 77.64 11.61 2.99 78.30 2 0 16.94 -999 ? C8 PG4 A 172 >VAL~B 18 14.76 0.83 83.74 14.89 -1.36 83.90 14.83 -0.26 83.82 3 0 14.95 -999 ? O5 PG4 B 171 >PHE~B 19 20.27 3.54 84.82 22.16 4.78 86.41 21.22 4.16 85.62 3 0 9.17 -999 ? O5 PG4 A 172 >SER~B 20 16.34 6.08 84.74 14.77 6.43 82.92 15.56 6.26 83.83 2 0 10.37 -999 ? O5 PG4 A 172 >THR~B 21 13.17 5.06 86.60 11.90 3.88 85.31 12.53 4.47 85.96 2 0 10.81 -999 ? O5 PG4 B 171 >TRP~B 22 16.18 0.04 90.68 19.45 1.64 92.07 17.81 0.84 91.37 3 0 12.23 -999 ? O5 PG4 B 171 >THR~B 23 17.46 6.04 89.66 19.29 6.64 88.69 18.37 6.34 89.18 2 0 8.51 -999 ? O5 PG4 A 172 >TYR~B 24 12.61 9.95 89.01 10.84 12.07 89.40 11.72 11.01 89.21 3 0 -3.52 -999 ? O5 PG4 B 171s >LEU~B 25 12.50 4.90 92.30 11.22 3.70 93.67 11.86 4.30 92.99 3 0 8.38 -999 ? O5 PG4 B 171 >SER~B 26 16.25 6.07 94.39 18.58 5.50 94.79 17.42 5.79 94.59 2 0 8.93 -999 ? O5 PG4 B 171 >THR~B 27 16.64 9.83 94.24 17.42 11.19 92.75 17.03 10.51 93.49 2 0 -3.99 -999 ? O5 PG4 B 171s >ASN~B 28 11.84 9.84 95.04 10.95 11.03 93.54 11.40 10.44 94.29 2 0 -3.58 -999 ? O5 PG4 B 171s >ASN~B 29 14.27 6.44 98.34 12.78 5.11 97.62 13.52 5.78 97.98 2 0 9.39 -999 ? O5 PG4 B 171 >GLY~B 30 17.01 9.86 99.35 16.27 10.15 99.22 16.64 10.00 99.29 1 0 8.65 -999 ? O5 PG4 B 171 >LEU~B 31 14.73 13.85 97.92 15.98 15.07 96.63 15.36 14.46 97.28 3 0 -5.11 -999 ? C7 PG4 B 171s >ILE~B 32 11.51 10.70 101.16 10.36 9.94 100.94 10.93 10.32 101.05 3 0 9.72 -999 ? C4 PG4 B 171 >ASN~B 33 16.00 9.90 103.82 17.10 9.38 105.58 16.55 9.64 104.70 2 0 14.52 -999 ? C7 PG4 B 171 >GLY~B 34 16.80 14.27 103.69 16.00 14.16 103.77 16.40 14.22 103.73 1 0 10.85 -999 ? C5 PG4 B 171 >TYR~B 35 13.05 17.05 101.29 13.84 18.07 98.80 13.44 17.56 100.05 3 0 5.84 -999 ? C5 PG4 B 171 >ARG~B 36 10.95 11.05 106.37 9.40 8.56 105.66 10.17 9.80 106.01 2 0 14.19 -999 ? C4 PG4 B 171 >SER~B 37 15.60 15.72 108.45 17.08 13.90 107.92 16.34 14.81 108.19 2 0 14.82 -999 ? C5 PG4 B 171 >PHE~B 38 16.26 19.77 104.88 18.54 20.00 103.28 17.40 19.88 104.08 3 0 11.36 -999 ? C5 PG4 B 171 >ILE~B 39 10.54 18.37 108.58 9.18 18.01 108.31 9.86 18.19 108.45 3 0 13.55 -999 ? C4 PG4 B 171 >ASN~B 40 14.06 17.63 112.53 12.70 16.03 112.78 13.38 16.83 112.66 2 0 18.17 -999 ? C4 PG4 B 171 >HIS~B 41 17.95 20.69 110.47 19.60 19.49 110.92 18.77 20.09 110.69 3 0 17.85 -999 ? C5 PG4 B 171 >THR.B 42 13.14 24.34 110.09 11.46 24.52 108.76 12.30 24.43 109.43 2 0 15.47 -999 ? C4 PG4 B 171 >GLY.B 43 11.70 27.18 112.06 11.43 26.99 111.29 11.57 27.09 111.67 1 0 19.63 -999 ? C4 PG4 B 171 >ASP~B 44 9.94 29.45 108.22 8.49 30.56 107.27 9.21 30.01 107.74 2 0 17.75 -999 ? C3 PG4 B 171 >GLU~B 45 5.61 26.50 111.65 6.66 24.58 111.70 6.13 25.54 111.67 2 0 18.41 -999 ? C4 PG4 B 171 >ASP~B 46 5.38 29.50 105.08 3.98 30.76 106.05 4.68 30.13 105.56 2 0 17.66 -999 ? C3 PG4 B 171 >LEU~B 47 10.02 26.76 105.00 11.82 26.05 104.03 10.92 26.40 104.52 3 0 12.93 -999 ? C4 PG4 B 171 >LYS~B 48 7.78 23.29 106.67 4.58 19.55 109.49 6.18 21.42 108.08 2 0 15.61 -999 ? C3 PG4 B 171 >ASN~B 49 3.28 23.93 105.05 2.33 24.08 106.96 2.81 24.01 106.00 2 0 15.15 -999 ? C3 PG4 B 171 >LEU~B 50 6.65 24.14 100.91 5.64 25.66 99.69 6.14 24.90 100.30 3 0 9.18 -999 ? C3 PG4 B 171 >ILE~B 51 9.60 20.35 103.75 10.94 20.40 104.32 10.27 20.37 104.03 3 0 9.49 -999 ? C4 PG4 B 171 >ASP~B 52 4.53 18.50 104.76 5.00 18.43 106.81 4.76 18.47 105.79 2 0 12.87 -999 ? C3 PG4 B 171 >GLU~B 53 2.96 19.91 98.48 2.19 21.77 97.75 2.58 20.84 98.11 2 0 7.74 -999 ? C2 PG4 B 171 >ALA~B 54 7.20 17.68 98.59 8.57 18.38 98.68 7.89 18.03 98.63 2 0 4.08 -999 ? C4 PG4 B 171 >ILE~B 55 7.73 14.37 102.18 8.37 14.07 103.39 8.05 14.22 102.78 3 0 8.87 -999 ? C4 PG4 B 171 >GLN~B 56 2.50 14.28 101.98 0.53 13.88 102.71 1.52 14.08 102.35 2 0 11.95 -999 ? C2 PG4 B 171 >ALA~B 57 4.33 14.15 96.29 4.66 15.48 95.70 4.50 14.81 96.00 2 0 -3.66 -999 ? C1 PG4 B 171s >MET?B 58 7.47 12.02 96.05 11.26 13.89 96.67 9.36 12.95 96.36 2 0 4.19 -999 ? C5 PG4 B 171 >GLN~B 59 6.24 9.37 100.44 5.56 9.75 102.41 5.90 9.56 101.43 2 0 11.71 -999 ? O2 PG4 B 171 >ASP~B 60 2.05 10.63 95.13 0.93 11.39 96.78 1.49 11.01 95.96 2 0 8.40 -999 ? C1 PG4 B 171 >GLU~B 61 5.89 11.48 91.81 7.35 12.90 91.28 6.62 12.19 91.54 2 0 -2.98 -999 ? O1 PG4 B 171s >ASN~B 62 7.78 6.39 95.66 9.61 7.49 95.70 8.69 6.94 95.68 2 0 7.52 -999 ? O5 PG4 B 171 >HIS~B 63 1.59 3.55 95.14 0.25 1.98 95.46 0.92 2.76 95.30 3 0 14.82 -999 ? C1 PG4 B 171 >GLN~B 64 2.08 6.28 90.28 1.94 8.32 89.68 2.01 7.30 89.98 2 0 9.30 -999 ? O1 PG4 B 171 >LEU~B 65 8.50 4.70 90.54 9.09 6.59 89.62 8.80 5.65 90.08 3 0 8.51 -999 ? O5 PG4 B 171 >GLU~B 66 8.55 1.58 94.74 8.28 1.80 96.83 8.41 1.69 95.79 2 0 12.94 -999 ? O5 PG4 B 171 >GLU~B 67 2.23 -1.14 89.99 2.25 -3.22 90.63 2.24 -2.18 90.31 2 0 19.40 -999 ? O5 PG4 B 171 >LEU~B 68 6.62 1.08 86.73 7.25 1.47 84.68 6.93 1.27 85.70 3 0 14.35 -999 ? O5 PG4 B 171 >LEU~B 69 10.54 -1.05 89.28 11.99 0.45 88.55 11.26 -0.30 88.91 3 0 13.22 -999 ? O5 PG4 B 171 >ARG~B 70 6.51 -5.27 93.93 5.25 -2.57 94.64 5.88 -3.92 94.28 2 0 17.43 -999 ? O5 PG4 B 171 >SER~B 71 5.66 -5.52 87.56 3.60 -4.41 88.12 4.63 -4.97 87.84 2 0 19.94 -999 ? O5 PG4 B 171 >ASN~B 72 8.98 -4.36 84.44 7.35 -3.61 83.26 8.17 -3.98 83.85 2 0 19.19 -999 ? O5 PG4 B 171 >GLY.B 73 10.90 -7.76 87.34 11.00 -7.00 87.28 10.95 -7.38 87.31 1 0 20.80 -999 ? O5 PG4 B 171 >VAL.B 74 13.26 -5.07 88.53 13.89 -3.40 87.29 13.57 -4.24 87.91 3 0 17.04 -999 ? O5 PG4 B 171 >GLY.B 75 14.54 -5.10 92.10 14.45 -4.44 91.61 14.49 -4.77 91.85 1 0 17.49 -999 ? O5 PG4 B 171 >LEU.B 76 12.32 -1.88 94.91 10.36 -1.76 94.01 11.34 -1.82 94.46 3 0 14.64 -999 ? O5 PG4 B 171 >PRO.B 77 15.11 2.06 94.47 15.57 0.05 95.31 15.34 1.06 94.89 3 0 11.85 -999 ? O5 PG4 B 171 >PRO.B 78 18.18 0.95 99.50 16.09 0.59 98.88 17.14 0.77 99.19 3 0 14.20 -999 ? O5 PG4 B 171 >ALA.B 79 12.89 2.49 100.99 11.63 1.85 101.52 12.26 2.17 101.25 2 0 14.51 -999 ? O5 PG4 B 171 >PRO.B 80 12.13 6.71 101.76 13.18 5.03 102.73 12.66 5.87 102.24 3 0 12.40 -999 ? O5 PG4 B 171 >PRO.B 81 16.14 5.57 106.75 14.11 4.73 106.21 15.12 5.15 106.48 3 0 16.47 -999 ? O5 PG4 B 171 >ASP.B 82 11.04 4.99 110.75 9.71 3.52 109.91 10.37 4.25 110.33 2 0 20.60 -999 ? O5 PG4 B 171 >ARG.B 83 14.93 12.09 109.36 18.00 11.68 109.22 16.47 11.89 109.29 2 0 16.92 -999 ? C5 PG4 B 171 >PRO.B 84 13.99 9.78 115.25 12.29 10.18 113.86 13.14 9.98 114.55 3 0 21.38 -999 ? C4 PG4 B 171 >ALA.B 85 11.01 14.10 115.12 9.67 14.65 115.72 10.34 14.38 115.42 2 0 21.06 -999 ? C4 PG4 B 171 >ALA.B 86 13.56 16.36 116.82 14.96 16.33 116.15 14.26 16.35 116.48 2 0 21.87 -999 ? C4 PG4 B 171 >ARG~B 87 12.68 19.18 122.48 13.44 22.10 123.44 13.06 20.64 122.96 2 0 29.07 -999 ? C4 PG4 B 171 >LEU~B 88 14.06 23.67 116.07 14.74 25.02 114.51 14.40 24.34 115.29 3 0 21.86 -999 ? C4 PG4 B 171 >ASP~B 89 15.61 24.57 120.95 14.74 26.45 120.44 15.17 25.51 120.69 2 0 27.37 -999 ? C4 PG4 B 171 >ASP~B 90 17.65 19.32 120.78 16.40 19.18 122.50 17.02 19.25 121.64 2 0 28.37 -999 ? C4 PG4 B 171 >ILE~B 91 19.78 21.20 115.91 19.37 20.79 114.61 19.58 20.99 115.26 3 0 22.50 -999 ? C5 PG4 B 171 >PRO~B 92 24.56 20.17 118.14 23.24 21.96 117.87 23.90 21.06 118.00 3 0 26.67 -999 ? C5 PG4 B 171 >VAL~B 93 24.19 25.62 115.95 25.01 27.62 116.15 24.60 26.62 116.05 3 0 26.70 -999 ? C5 PG4 B 171 >GLY~B 94 27.06 24.33 113.79 26.39 23.93 113.94 26.72 24.13 113.87 1 0 25.49 -999 ? C5 PG4 B 171 >ALA~B 95 24.98 21.30 112.77 24.82 20.16 113.73 24.90 20.73 113.25 2 0 23.32 -999 ? C5 PG4 B 171 >ARG~B 96 19.25 25.61 112.48 16.82 27.39 111.99 18.03 26.50 112.24 2 0 20.75 -999 ? C4 PG4 B 171 >PHE.B 97 21.23 22.07 107.05 23.26 20.34 106.32 22.24 21.20 106.68 3 0 16.41 -999 ? C5 PG4 B 171 >ASN~B 98 19.65 28.67 108.62 20.95 28.54 110.32 20.30 28.61 109.47 2 0 21.43 -999 ? C5 PG4 B 171 >ASP~B 99 14.44 29.06 107.19 13.55 28.28 108.97 14.00 28.67 108.08 2 0 17.90 -999 ? C4 PG4 B 171 >PRO~B 100 17.90 31.64 105.10 16.86 29.82 104.34 17.38 30.73 104.72 3 0 17.77 -999 ? C5 PG4 B 171 >GLU~B 101 21.70 27.89 104.66 22.62 27.69 106.65 22.16 27.79 105.65 2 0 19.21 -999 ? C5 PG4 B 171 >ILE~B 102 16.01 24.32 104.50 15.46 23.60 105.57 15.74 23.96 105.04 3 0 13.10 -999 ? C5 PG4 B 171 >SER~B 103 14.81 26.51 100.88 13.25 28.11 100.12 14.03 27.31 100.50 2 0 12.01 -999 ? C4 PG4 B 171 >ALA~B 104 17.71 26.98 98.43 19.01 27.71 98.68 18.36 27.35 98.56 2 0 13.22 -999 ? C5 PG4 B 171 >THR~B 105 18.51 23.28 98.52 19.60 22.05 99.87 19.06 22.66 99.20 2 0 10.42 -999 ? C5 PG4 B 171 >ILE~B 106 13.74 22.37 98.78 12.73 21.84 99.63 13.23 22.11 99.21 3 0 6.90 -999 ? C4 PG4 B 171 >SER~B 107 14.56 24.84 95.11 13.80 26.84 96.17 14.18 25.84 95.64 2 0 9.88 -999 ? C5 PG4 B 171 >MET?B 108 17.69 23.46 93.39 21.69 25.01 93.82 19.69 24.24 93.60 2 0 11.73 -999 ? C6 PG4 B 171 >ASP~B 109 16.04 19.23 95.11 17.62 18.77 96.46 16.83 19.00 95.79 2 0 -5.77 -999 ? C6 PG4 B 171s >VAL~B 110 13.15 20.81 92.12 11.23 21.57 92.84 12.19 21.19 92.48 3 0 4.14 -999 ? O3 PG4 B 171 >ALA~B 111 14.92 22.54 89.21 15.89 23.74 89.33 15.40 23.14 89.27 2 0 8.28 -999 ? C6 PG4 B 171 >GLY~B 113 14.10 17.19 88.92 14.20 17.82 88.43 14.15 17.51 88.68 1 0 3.88 -999 ? O4 PG4 B 171 >LEU~B 114 12.19 20.60 86.00 10.56 21.85 86.44 11.37 21.22 86.22 3 0 8.17 -999 ? O4 PG4 B 171 >VAL~B 115 15.34 18.43 83.92 17.19 19.44 83.49 16.26 18.94 83.70 3 0 5.47 -999 ? C5 PG4 A 172 >THR~B 116 15.44 14.74 84.89 16.31 13.65 86.53 15.88 14.19 85.71 2 0 5.73 -999 ? C8 PG4 B 171 >CYH~B 117 11.73 14.34 84.01 10.09 14.69 86.25 10.91 14.52 85.13 2 0 6.09 -999 ? O1 PG4 B 171 >SER~B 118 12.34 15.88 80.56 11.74 18.24 80.70 12.04 17.06 80.63 2 0 9.68 -999 ? C5 PG4 A 172 >GLN~B 119 17.44 14.77 80.90 18.95 14.69 82.40 18.20 14.73 81.65 2 0 -3.07 -999 ? C8 PG4 A 172s >ILE~B 120 12.76 10.14 82.17 12.78 9.27 83.31 12.77 9.71 82.74 3 0 9.44 -999 ? O5 PG4 B 171 >ILE~B 121 9.65 13.03 78.62 8.56 13.89 78.82 9.11 13.46 78.72 3 0 12.77 -999 ? O5 PG4 A 171 >GLY~B 122 12.76 12.21 75.66 12.77 11.55 76.12 12.77 11.88 75.89 1 0 11.30 -999 ? C3 PG4 A 171 >GLN~B 123 15.25 8.40 78.34 14.72 6.44 79.05 14.99 7.42 78.70 2 0 11.35 -999 ? C8 PG4 A 172 >SER.B 124 11.18 6.85 76.55 9.34 8.42 76.58 10.26 7.63 76.57 2 0 15.29 -999 ? O3 PG4 A 171 >ILE.B 125 10.76 3.34 73.28 11.52 2.79 72.17 11.14 3.06 72.72 3 0 18.77 -999 ? O3 PG4 A 171 >ARG~B 126 6.93 -0.53 77.74 6.15 -1.48 80.51 6.54 -1.00 79.12 2 0 19.39 -999 ? O5 PG4 B 171 >GLU~B 127 3.35 5.40 73.61 1.56 5.26 72.35 2.45 5.33 72.98 2 0 17.68 -999 ? C7 PG4 A 171 >ASP~B 128 2.88 3.38 80.20 4.43 1.93 80.16 3.65 2.65 80.18 2 0 18.12 -999 ? O1 PG4 B 171 >VAL~B 129 6.70 5.84 80.85 8.60 4.69 81.15 7.65 5.27 81.00 3 0 14.25 -999 ? O5 PG4 B 171 >ALA~B 130 6.57 9.06 78.81 6.48 9.13 77.31 6.53 9.09 78.06 2 0 15.10 -999 ? C7 PG4 A 171 >LEU~B 131 1.82 8.86 79.98 -0.22 9.64 80.20 0.80 9.25 80.09 3 0 14.56 -999 ? O1 PG4 B 171 >MET?B 132 4.07 9.16 83.77 5.74 6.14 86.30 4.90 7.65 85.03 2 0 11.07 -999 ? O1 PG4 B 171 >PHE~B 133 9.05 10.23 84.10 10.18 8.53 85.97 9.61 9.38 85.04 3 0 8.43 -999 ? O5 PG4 B 171 >SER~B 134 5.01 14.16 81.68 5.01 13.52 79.34 5.01 13.84 80.51 2 0 12.49 -999 ? O1 PG4 B 171 >GLN~B 135 0.60 12.66 83.82 -0.65 10.92 84.14 -0.02 11.79 83.98 2 0 11.73 -999 ? O1 PG4 B 171 >PHE~B 136 6.25 11.96 87.81 5.82 9.33 88.65 6.04 10.65 88.23 3 0 6.21 -999 ? O1 PG4 B 171 >HIS~B 137 7.99 18.46 83.32 8.83 20.26 82.69 8.41 19.36 83.00 3 0 9.22 -999 ? O1 PG4 B 171 >MET?B 138 3.73 19.27 85.39 0.58 18.61 82.30 2.16 18.94 83.84 2 0 11.55 -999 ? O1 PG4 B 171 >ALA~B 139 3.50 18.66 89.15 3.39 17.27 89.84 3.45 17.97 89.49 2 0 4.02 -999 ? C1 PG4 B 171 >LYS~B 140 7.11 19.82 89.63 9.89 16.11 91.60 8.50 17.96 90.61 2 0 -2.79 -999 ? O3 PG4 B 171s >VAL~B 141 6.46 22.95 87.59 6.13 23.55 85.50 6.30 23.25 86.55 3 0 8.81 -999 ? C2 PG4 B 171 >GLN~B 142 1.44 23.06 88.99 0.89 24.97 88.16 1.17 24.02 88.57 2 0 10.78 -999 ? C2 PG4 B 171 >PHE~B 143 6.70 21.59 94.87 7.71 21.69 97.48 7.20 21.64 96.17 3 0 -4.05 -999 ? C3 PG4 B 171s >GLY~B 144 8.74 24.97 91.90 7.92 25.21 91.96 8.33 25.09 91.93 1 0 7.18 -999 ? C3 PG4 B 171 >GLY~B 145 6.40 27.88 91.38 6.54 27.45 92.08 6.47 27.66 91.73 1 0 10.35 -999 ? C3 PG4 B 171 >LYS~B 146 5.31 27.68 95.03 1.17 24.65 97.94 3.24 26.16 96.49 2 0 10.24 -999 ? C2 PG4 B 171 >MET?B 147 8.92 27.53 96.17 9.64 24.99 98.30 9.28 26.26 97.23 2 0 7.81 -999 ? C3 PG4 B 171 >LEU~B 148 9.60 30.82 92.64 10.69 32.32 91.47 10.14 31.57 92.05 3 0 13.61 -999 ? C3 PG4 B 171 >LEU~B 150 8.20 30.01 99.64 8.51 29.21 101.62 8.36 29.61 100.63 3 0 12.92 -999 ? C3 PG4 B 171 >ASN~B 151 12.49 31.96 97.55 13.26 30.06 98.13 12.87 31.01 97.84 2 0 13.09 -999 ? C4 PG4 B 171 >LYS~B 152 10.26 35.97 97.29 8.83 36.15 91.11 9.54 36.06 94.20 2 0 18.20 -999 ? C3 PG4 B 171 >ASN~B 153 6.56 35.46 100.46 5.53 35.98 102.28 6.04 35.72 101.37 2 0 19.61 -999 ? C3 PG4 B 171 >LYS~B 154 10.33 35.56 102.80 7.07 32.74 106.26 8.70 34.15 104.53 2 0 18.74 -999 ? C3 PG4 B 171 >GLY.B 155 13.06 37.72 101.32 13.07 36.91 101.41 13.06 37.31 101.37 1 0 21.10 -999 ? C3 PG4 B 171 >TRP.B 156 14.69 34.00 103.65 12.40 30.94 104.36 13.54 32.47 104.01 3 0 17.63 -999 ? C4 PG4 B 171 >LEU.B 157 14.93 35.49 96.13 14.40 34.40 94.38 14.66 34.94 95.25 3 0 17.75 -999 ? C3 PG4 B 171 >ILE.B 158 20.78 35.73 96.35 21.33 36.43 97.42 21.05 36.08 96.88 3 0 20.96 -999 ? C5 PG4 B 171 >PRO.B 159 19.23 40.56 94.59 19.15 38.41 93.86 19.19 39.48 94.23 3 0 22.87 -999 ? C1 PG4 A 172 >PRO.B 160 19.48 36.57 89.35 20.77 37.72 90.71 20.12 37.14 90.03 3 0 18.19 -999 ? C1 PG4 A 172 >PRO.B 161 24.66 38.80 87.68 22.67 39.61 88.26 23.66 39.20 87.97 3 0 18.32 -999 ? C1 PG4 A 172 >LEU.B 162 18.98 42.98 87.15 17.66 42.23 88.70 18.32 42.60 87.93 3 0 21.84 -999 ? C1 PG4 A 172 >HIS.B 163 18.42 43.25 80.41 18.39 44.20 78.55 18.41 43.72 79.48 3 0 20.13 -999 ? O1 PG4 A 171 >SER.B 164 18.68 46.99 82.27 21.00 47.69 82.13 19.84 47.34 82.20 2 0 24.42 -999 ? C1 PG4 A 172