REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-SEP-02 1MW5 COMPND HYPOTHETICAL PROTEIN HI1480; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 GENE: HI1480; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET100 AUTHOR K.LIM,E.SARIKAYA,A.HOWARD,A.GALKIN,O.HERZBERG,STRUCTURE 2 AUTHOR 2 FUNCTION PROJECT (S2F) HET MSE A 8 8 HET MSE A 10 16 HET MSE A 151 8 HET MSE B 8 8 HET MSE B 10 16 HET MSE B 151 8 >GLU~A 3 23.08 21.52 38.36 21.06 20.96 38.66 22.07 21.24 38.51 2 0 1000.00 -999 ? >THR~A 4 25.99 18.36 42.07 25.14 19.58 43.60 25.57 18.97 42.84 2 0 1000.00 -999 ? >ASP~A 5 22.87 14.84 41.03 22.18 12.85 41.04 22.52 13.84 41.04 2 0 1000.00 -999 ? >LEU~A 6 26.18 15.47 37.02 26.88 14.91 35.02 26.53 15.19 36.02 3 0 1000.00 -999 ? >LEU~A 7 29.92 16.98 40.49 30.19 18.55 38.97 30.05 17.76 39.73 3 0 1000.00 -999 ? >MET?A 8 29.01 13.19 42.88 29.74 14.91 45.42 29.38 14.05 44.15 2 0 1000.00 -999 ? >LYS~A 9 28.46 10.42 40.28 23.65 9.91 36.58 26.05 10.16 38.43 2 0 1000.00 -999 ? >MET?A 10 31.89 11.33 38.92 31.91 11.63 35.58 31.90 11.48 37.25 2 0 1000.00 -999 ? >VAL~A 11 33.67 11.37 42.29 32.92 12.76 43.81 33.30 12.07 43.05 3 0 1000.00 -999 ? >ARG~A 12 28.84 7.90 45.12 26.99 7.63 42.69 27.92 7.76 43.90 2 0 1000.00 -999 ? >GLN.A 13 32.63 6.84 38.13 30.87 6.52 36.97 31.75 6.68 37.55 2 0 1000.00 -999 ? >PRO.A 14 37.01 3.42 38.94 36.50 5.60 38.63 36.76 4.51 38.78 3 0 1000.00 -999 ? >VAL^A 15 37.21 8.63 35.76 36.54 10.25 37.08 36.87 9.44 36.42 3 0 1000.00 -999 ? >LYS^A 16 39.10 9.55 32.64 39.38 6.26 27.36 39.24 7.91 30.00 2 0 1000.00 -999 ? >LEU^A 17 41.73 13.45 31.45 42.07 14.50 33.26 41.90 13.98 32.35 3 0 1000.00 -999 ? >TYR^A 18 37.68 11.65 26.84 37.10 8.90 26.75 37.39 10.28 26.80 3 0 1000.00 -999 ? >SER~A 19 40.83 16.25 25.11 41.94 15.34 23.17 41.39 15.80 24.14 2 0 1000.00 -999 ? >VAL~A 20 38.10 17.54 22.73 37.08 19.42 22.27 37.59 18.48 22.50 3 0 1000.00 -999 ? >ALA~A 21 39.90 15.77 19.87 41.33 15.99 19.43 40.62 15.88 19.65 2 0 1000.00 -999 ? >THR~A 22 39.98 12.36 21.62 41.35 12.43 23.28 40.66 12.39 22.45 2 0 1000.00 -999 ? >LEU~A 23 35.60 13.74 23.44 33.59 13.55 24.37 34.60 13.64 23.91 3 0 1000.00 -999 ? >PHE~A 24 35.34 14.89 16.75 34.12 15.13 14.20 34.73 15.01 15.47 3 0 1000.00 -999 ? >HIS~A 25 39.52 9.15 17.37 40.27 7.34 16.60 39.89 8.25 16.98 3 0 1000.00 -999 ? >GLU~A 26 34.65 7.26 22.47 35.06 6.77 24.49 34.85 7.01 23.48 2 0 1000.00 -999 ? >PHE~A 27 30.85 11.26 19.90 29.24 12.19 21.96 30.05 11.73 20.93 3 0 1000.00 -999 ? >SER~A 28 33.54 8.56 15.45 34.81 10.49 14.60 34.18 9.52 15.03 2 0 1000.00 -999 ? >GLU~A 29 37.12 5.10 17.06 37.84 3.69 15.62 37.48 4.39 16.34 2 0 1000.00 -999 ? >VAL~A 30 31.37 4.16 18.42 30.67 4.45 20.46 31.02 4.31 19.44 3 0 1000.00 -999 ? >ILE~A 31 29.10 6.98 15.13 28.46 8.21 15.02 28.78 7.59 15.07 3 0 1000.00 -999 ? >THR~A 32 30.95 3.52 12.78 32.97 4.18 12.37 31.96 3.85 12.58 2 0 1000.00 -999 ? >LYS~A 33 30.77 0.34 14.86 35.61 0.27 18.96 33.19 0.31 16.91 2 0 1000.00 -999 ? >LEU~A 34 26.33 1.92 16.27 26.08 1.94 18.43 26.21 1.93 17.35 3 0 1000.00 -999 ? >GLU~A 35 26.64 4.01 11.30 27.39 5.62 10.15 27.01 4.81 10.73 2 0 1000.00 -999 ? >HIS~A 36 29.97 -3.58 10.78 30.59 -5.42 9.97 30.28 -4.50 10.37 3 0 1000.00 -999 ? >SER~A 37 25.29 -3.48 13.00 26.30 -3.99 15.11 25.79 -3.73 14.05 2 0 1000.00 -999 ? >VAL.A 38 22.61 -1.94 10.82 22.05 0.13 10.17 22.33 -0.91 10.49 3 0 1000.00 -999 ? >GLN.A 39 21.24 -6.42 10.44 20.80 -8.41 11.10 21.02 -7.41 10.77 2 0 1000.00 -999 ? >LYS.A 40 17.10 -3.32 7.84 13.05 -8.24 7.48 15.07 -5.78 7.66 2 0 1000.00 -999 ? >GLU.A 41 15.77 2.45 6.84 17.87 2.68 6.91 16.82 2.57 6.87 2 0 1000.00 -999 ? >PRO.A 42 14.51 2.89 11.24 13.92 0.90 10.44 14.21 1.90 10.84 3 0 1000.00 -999 ? >THR.A 43 9.68 1.35 10.03 8.87 -0.64 9.90 9.27 0.36 9.96 2 0 1000.00 -999 ? >SER.A 44 8.06 2.68 13.16 5.90 1.61 12.77 6.98 2.15 12.97 2 0 1000.00 -999 ? >LEU.A 45 11.22 5.33 15.41 12.84 4.54 14.18 12.03 4.94 14.80 3 0 1000.00 -999 ? >LEU.A 46 11.59 3.80 20.42 11.98 1.66 20.34 11.79 2.73 20.38 3 0 1000.00 -999 ? >SER~A 47 8.94 7.01 21.92 7.66 5.97 23.73 8.30 6.49 22.82 2 0 1000.00 -999 ? >GLU~A 48 11.95 11.03 23.50 13.89 10.43 22.94 12.92 10.73 23.22 2 0 1000.00 -999 ? >GLU~A 49 7.60 5.67 28.26 5.50 5.59 28.44 6.55 5.63 28.35 2 0 1000.00 -999 ? >ASN~A 50 9.29 2.70 24.12 7.37 2.27 24.89 8.33 2.48 24.50 2 0 1000.00 -999 ? >TRP~A 51 15.45 4.74 21.05 18.46 6.11 23.15 16.95 5.43 22.10 3 0 1000.00 -999 ? >HIS~A 52 14.91 7.40 27.63 15.66 9.11 26.67 15.28 8.26 27.15 3 0 1000.00 -999 ? >LYS~A 53 13.54 1.58 28.55 7.25 2.06 29.34 10.40 1.82 28.94 2 0 1000.00 -999 ? >GLN~A 54 13.69 -0.77 23.84 13.44 -2.66 24.85 13.57 -1.72 24.35 2 0 1000.00 -999 ? >PHE~A 55 20.10 3.98 26.27 22.82 4.69 26.52 21.46 4.33 26.40 3 0 1000.00 -999 ? >LEU~A 56 17.59 0.87 30.79 18.01 1.47 32.80 17.80 1.17 31.79 3 0 1000.00 -999 ? >LYS~A 57 18.78 -2.86 28.73 12.96 -5.08 27.71 15.87 -3.97 28.22 2 0 1000.00 -999 ? >PHE~A 58 22.39 -0.55 24.16 24.62 0.11 22.58 23.50 -0.22 23.37 3 0 1000.00 -999 ? >ALA~A 59 23.64 -0.20 28.53 23.36 1.14 29.24 23.50 0.47 28.88 2 0 1000.00 -999 ? >GLN~A 60 21.41 -2.51 32.54 19.51 -3.24 33.16 20.46 -2.88 32.85 2 0 1000.00 -999 ? >ALA~A 61 24.74 -5.34 28.43 23.83 -5.99 27.34 24.28 -5.67 27.88 2 0 1000.00 -999 ? >LEU.A 62 27.64 -1.57 27.33 27.13 -0.47 25.51 27.38 -1.02 26.42 3 0 1000.00 -999 ? >PRO.A 63 31.84 -3.89 26.61 30.68 -3.54 28.50 31.26 -3.72 27.55 3 0 1000.00 -999 ? >ALA.A 64 32.21 -1.88 32.15 31.78 -2.27 33.61 32.00 -2.07 32.88 2 0 1000.00 -999 ? >HIS.A 65 36.27 -4.78 30.18 36.53 -6.68 31.05 36.40 -5.73 30.61 3 0 1000.00 -999 ? >GLY.A 66 37.09 1.03 29.44 36.86 0.46 28.96 36.97 0.75 29.20 1 0 1000.00 -999 ? >SER.A 67 36.23 0.29 25.79 38.24 -0.94 25.10 37.24 -0.33 25.44 2 0 1000.00 -999 ? >ALA.A 68 33.94 -1.77 23.57 32.47 -1.26 23.66 33.20 -1.52 23.61 2 0 1000.00 -999 ? >SER~A 69 34.71 -3.70 20.34 34.35 -6.00 20.84 34.53 -4.85 20.59 2 0 1000.00 -999 ? >TRP~A 70 30.18 -3.68 14.98 29.38 -7.50 14.33 29.78 -5.59 14.66 3 0 1000.00 -999 ? >LEU~A 71 32.08 -8.67 19.06 31.34 -10.67 18.70 31.71 -9.67 18.88 3 0 1000.00 -999 ? >ASN~A 72 31.59 -5.19 23.22 33.25 -6.31 23.93 32.42 -5.75 23.57 2 0 1000.00 -999 ? >LEU~A 73 28.67 -2.24 19.92 29.51 -0.40 20.69 29.09 -1.32 20.31 3 0 1000.00 -999 ? >ASP~A 74 27.03 -6.58 17.42 25.47 -7.45 16.29 26.25 -7.01 16.85 2 0 1000.00 -999 ? >ASP~A 75 27.10 -8.97 22.41 28.24 -10.44 21.40 27.67 -9.71 21.91 2 0 1000.00 -999 ? >ALA~A 76 24.58 -5.48 23.64 25.28 -4.16 24.07 24.93 -4.82 23.85 2 0 1000.00 -999 ? >LEU~A 77 22.43 -4.54 19.39 22.86 -2.61 18.55 22.65 -3.58 18.97 3 0 1000.00 -999 ? >GLN~A 78 22.31 -9.70 20.11 21.46 -8.83 18.34 21.88 -9.27 19.23 2 0 1000.00 -999 ? >ALA.A 79 19.45 -7.31 24.85 20.30 -6.70 25.98 19.88 -7.00 25.41 2 0 1000.00 -999 ? >VAL.A 80 17.02 -4.95 23.15 17.29 -2.99 22.17 17.15 -3.97 22.66 3 0 1000.00 -999 ? >VAL.A 81 13.60 -6.52 22.37 12.01 -5.28 23.11 12.81 -5.90 22.74 3 0 1000.00 -999 ? >GLY.A 82 13.83 -7.86 18.84 13.31 -7.35 19.10 13.57 -7.60 18.97 1 0 1000.00 -999 ? >ASN.A 83 9.44 -5.98 18.15 8.43 -7.62 17.25 8.93 -6.80 17.70 2 0 1000.00 -999 ? >SER~A 84 12.27 -2.55 18.80 10.63 -2.26 20.56 11.45 -2.40 19.68 2 0 1000.00 -999 ? >ARG~A 85 18.58 -6.11 17.95 17.40 -8.78 18.82 17.99 -7.44 18.39 2 0 1000.00 -999 ? >SER~A 86 16.32 -1.75 14.35 14.36 -1.94 12.92 15.34 -1.85 13.64 2 0 1000.00 -999 ? >ALA~A 87 14.44 1.35 15.56 13.01 1.36 16.03 13.73 1.35 15.79 2 0 1000.00 -999 ? >PHE~A 88 17.75 0.76 20.75 19.79 1.42 22.53 18.77 1.09 21.64 3 0 1000.00 -999 ? >LEU~A 89 20.05 0.04 15.90 22.04 -0.41 15.28 21.04 -0.18 15.59 3 0 1000.00 -999 ? >HIS~A 90 17.25 4.97 12.26 17.12 6.52 10.85 17.18 5.74 11.55 3 0 1000.00 -999 ? >GLN~A 91 15.92 7.02 18.67 13.86 6.87 19.24 14.89 6.94 18.95 2 0 1000.00 -999 ? >LEU~A 92 21.33 4.31 19.30 23.12 4.30 20.55 22.23 4.31 19.92 3 0 1000.00 -999 ? >ILE~A 93 22.98 5.70 14.46 23.52 4.88 13.45 23.25 5.29 13.95 3 0 1000.00 -999 ? >ALA~A 94 20.95 9.69 15.14 19.48 9.76 14.74 20.22 9.72 14.94 2 0 1000.00 -999 ? >LYS~A 95 21.25 10.84 18.78 16.98 10.44 22.38 19.11 10.64 20.58 2 0 1000.00 -999 ? >LEU~A 96 25.74 8.83 18.57 26.25 7.39 20.14 25.99 8.11 19.35 3 0 1000.00 -999 ? >LYS~A 97 25.60 11.93 15.35 26.07 8.88 9.70 25.84 10.40 12.53 2 0 1000.00 -999 ? >SER~A 98 23.72 15.02 16.64 21.86 16.32 17.56 22.79 15.67 17.10 2 0 1000.00 -999 ? >ARG~A 99 24.49 14.41 23.22 22.93 14.73 25.84 23.71 14.57 24.53 2 0 1000.00 -999 ? >HIS~A 100 30.43 12.97 16.18 32.34 12.34 15.57 31.38 12.65 15.88 3 0 1000.00 -999 ? >LEU~A 101 27.42 18.23 15.06 27.06 17.80 12.99 27.24 18.01 14.03 3 0 1000.00 -999 ? >GLN~A 102 25.59 19.60 19.51 23.96 18.99 20.71 24.78 19.29 20.11 2 0 1000.00 -999 ? >VAL~A 103 31.35 18.18 20.57 32.26 16.19 20.96 31.81 17.18 20.76 3 0 1000.00 -999 ? >LEU~A 104 32.83 20.74 16.71 33.52 19.37 15.19 33.17 20.05 15.95 3 0 1000.00 -999 ? >GLU~A 105 29.25 23.92 19.28 29.67 25.68 18.11 29.46 24.80 18.70 2 0 1000.00 -999 ? >LEU~A 106 34.00 21.15 23.76 32.73 20.00 25.07 33.37 20.58 24.42 3 0 1000.00 -999 ? >ASN~A 107 37.17 23.83 19.89 37.96 21.88 19.46 37.57 22.85 19.68 2 0 1000.00 -999 ? >LYS~A 108 35.49 27.50 22.29 31.98 28.53 18.31 33.74 28.01 20.30 2 0 1000.00 -999 ? >ILE~A 109 34.35 25.98 26.68 33.19 25.63 27.14 33.77 25.81 26.91 3 0 1000.00 -999 ? >GLY~A 110 38.47 24.77 25.93 38.40 25.51 25.68 38.43 25.14 25.81 1 0 1000.00 -999 ? >SER~A 111 40.53 27.48 24.24 40.83 27.00 21.88 40.68 27.24 23.06 2 0 1000.00 -999 ? >GLU~A 112 37.25 30.43 26.66 35.44 30.66 27.70 36.35 30.54 27.18 2 0 1000.00 -999 ? >PRO.A 113 43.63 32.18 26.93 42.39 30.92 28.31 43.01 31.55 27.62 3 0 1000.00 -999 ? >LEU.A 114 42.04 29.07 32.88 41.24 29.14 34.91 41.64 29.11 33.89 3 0 1000.00 -999 ? >ASP^A 115 46.80 31.19 35.32 48.06 31.58 33.65 47.43 31.38 34.48 2 0 1000.00 -999 ? >LEU^A 116 44.64 26.82 38.31 42.49 26.78 38.22 43.56 26.80 38.26 3 0 1000.00 -999 ? >SER.A 117 48.21 28.10 40.95 47.49 26.26 42.31 47.85 27.18 41.63 2 0 1000.00 -999 ? >ASN.A 118 51.37 30.70 39.52 51.01 32.57 40.50 51.19 31.63 40.01 2 0 1000.00 -999 ? >LEU^A 119 50.66 26.38 36.21 52.54 25.67 37.01 51.60 26.02 36.61 3 0 1000.00 -999 ? >PRO^A 120 50.43 27.76 31.47 48.84 27.44 33.00 49.63 27.60 32.23 3 0 1000.00 -999 ? >ALA.A 121 45.34 25.15 33.40 44.35 25.56 34.48 44.85 25.36 33.94 2 0 1000.00 -999 ? >PRO.A 122 46.14 21.49 31.24 44.76 23.23 31.02 45.45 22.36 31.13 3 0 1000.00 -999 ? >PHE^A 123 38.66 22.31 28.36 36.08 21.35 27.86 37.37 21.83 28.11 3 0 1000.00 -999 ? >TYR^A 124 41.99 17.27 29.90 44.62 17.17 29.03 43.31 17.22 29.46 3 0 1000.00 -999 ? >VAL^A 125 36.31 16.66 29.44 34.79 16.22 27.91 35.55 16.44 28.68 3 0 1000.00 -999 ? >LEU^A 126 35.90 14.94 33.90 36.73 14.13 35.72 36.32 14.54 34.81 3 0 1000.00 -999 ? >LEU^A 127 33.88 10.75 30.42 32.76 11.76 28.87 33.32 11.25 29.64 3 0 1000.00 -999 ? >PRO^A 128 31.19 8.09 33.45 33.43 8.22 33.15 32.31 8.15 33.30 3 0 1000.00 -999 ? >GLU.A 129 38.25 3.42 33.29 39.79 4.44 32.23 39.02 3.93 32.76 2 0 1000.00 -999 ? >SER~A 130 33.57 2.38 32.35 31.37 1.41 32.84 32.47 1.89 32.59 2 0 1000.00 -999 ? >PHE~A 131 32.07 1.55 26.35 30.99 2.22 23.81 31.53 1.88 25.08 3 0 1000.00 -999 ? >ALA~A 132 28.69 1.51 29.77 28.19 0.30 30.61 28.44 0.90 30.19 2 0 1000.00 -999 ? >ALA~A 133 28.67 4.43 32.24 29.51 4.53 33.53 29.09 4.48 32.89 2 0 1000.00 -999 ? >ARG~A 134 33.64 7.72 28.10 35.10 4.99 27.89 34.37 6.36 27.99 2 0 1000.00 -999 ? >ILE~A 135 27.89 4.72 26.03 28.34 5.18 24.65 28.11 4.95 25.34 3 0 1000.00 -999 ? >THR~A 136 25.02 6.44 29.13 24.14 5.22 30.76 24.58 5.83 29.95 2 0 1000.00 -999 ? >LEU~A 137 27.55 10.14 30.97 27.77 11.53 32.57 27.66 10.83 31.77 3 0 1000.00 -999 ? >LEU~A 138 28.15 10.47 25.76 30.26 10.93 25.79 29.21 10.70 25.78 3 0 1000.00 -999 ? >VAL~A 139 23.71 9.82 25.30 23.25 8.00 24.10 23.48 8.91 24.70 3 0 1000.00 -999 ? >GLN~A 140 20.93 8.00 28.52 18.91 7.52 28.00 19.92 7.76 28.26 2 0 1000.00 -999 ? >ASP~A 141 23.93 13.37 31.08 23.66 14.20 33.01 23.80 13.79 32.05 2 0 1000.00 -999 ? >LYS.A 142 21.87 17.02 29.77 16.73 16.28 29.72 19.30 16.65 29.74 2 0 1000.00 -999 ? >ALA^A 143 25.39 17.96 30.87 25.40 18.55 32.28 25.39 18.25 31.58 2 0 1000.00 -999 ? >LEU^A 144 29.33 17.19 28.72 31.21 16.24 28.54 30.27 16.71 28.63 3 0 1000.00 -999 ? >PRO^A 145 31.18 15.19 33.61 31.09 17.11 32.48 31.14 16.15 33.05 3 0 1000.00 -999 ? >TYR^A 146 34.73 21.47 31.65 34.32 24.24 32.07 34.52 22.85 31.86 3 0 1000.00 -999 ? >VAL^A 147 37.96 19.97 34.35 39.05 18.42 35.40 38.51 19.19 34.88 3 0 1000.00 -999 ? >ARG^A 148 40.33 24.96 32.40 40.33 26.65 29.87 40.33 25.80 31.14 2 0 1000.00 -999 ? >VAL^A 149 43.89 20.87 35.42 44.18 18.81 34.86 44.03 19.84 35.14 3 0 1000.00 -999 ? >SER^A 150 46.81 22.18 37.47 47.57 24.34 38.23 47.19 23.26 37.85 2 0 1000.00 -999 ? >MET?A 151 49.18 21.17 40.32 52.53 20.37 38.03 50.86 20.77 39.18 2 0 1000.00 -999 ? >GLU^A 152 48.75 23.51 44.90 49.53 25.52 45.01 49.14 24.51 44.95 2 0 1000.00 -999 ? >TYR^A 153 55.69 22.51 42.61 55.97 22.25 39.84 55.83 22.38 41.22 3 0 1000.00 -999 ? >TRP.A 154 54.18 16.90 46.67 51.51 16.13 49.49 52.84 16.52 48.08 3 0 1000.00 -999 ? >HIS~A 155 58.26 23.92 46.46 57.77 25.13 44.81 58.02 24.53 45.64 3 0 1000.00 -999 ? >ALA~A 156 54.65 25.39 48.40 53.88 25.76 47.10 54.27 25.58 47.75 2 0 1000.00 -999 ? >LEU~A 157 51.97 22.13 50.71 50.40 21.88 49.22 51.18 22.01 49.97 3 0 1000.00 -999 ? >GLU~A 158 57.39 22.29 52.75 59.35 22.31 51.99 58.37 22.30 52.37 2 0 1000.00 -999 ? >TYR.A 159 55.08 26.77 58.98 54.45 28.86 60.73 54.77 27.82 59.86 3 0 1000.00 -999 ? >LYS.A 160 56.02 29.53 55.48 57.62 27.17 51.11 56.82 28.35 53.29 2 0 1000.00 -999 ? >GLY.A 161 55.82 31.41 58.78 55.12 31.23 58.45 55.47 31.32 58.62 1 0 1000.00 -999 ? >GLU.A 162 54.51 34.93 62.66 54.33 35.45 64.76 54.42 35.19 63.71 2 0 1000.00 -999 ? >LEU.A 163 54.62 37.55 58.36 55.10 38.69 60.14 54.86 38.12 59.25 3 0 1000.00 -999 ? >ASN.A 164 50.48 36.03 54.99 48.58 35.99 55.97 49.53 36.01 55.48 2 0 1000.00 -999 ? >GLU~B 3 56.20 21.67 35.15 58.13 21.37 34.32 57.16 21.52 34.74 2 0 1000.00 -999 ? >THR~B 4 53.17 18.33 31.70 53.77 19.65 30.13 53.47 18.99 30.91 2 0 1000.00 -999 ? >ASP~B 5 56.27 14.66 32.53 56.61 12.62 33.08 56.44 13.64 32.81 2 0 1000.00 -999 ? >LEU~B 6 52.92 15.53 36.59 51.91 15.14 38.48 52.41 15.33 37.53 3 0 1000.00 -999 ? >LEU~B 7 49.54 17.02 32.91 47.67 17.59 31.96 48.60 17.31 32.43 3 0 1000.00 -999 ? >MET?B 8 50.25 13.17 30.78 49.61 14.87 28.22 49.93 14.02 29.50 2 0 1000.00 -999 ? >LYS~B 9 50.77 10.44 33.38 55.66 9.78 36.94 53.22 10.11 35.16 2 0 1000.00 -999 ? >MET?B 10 47.36 11.30 34.77 47.44 11.57 38.06 47.40 11.43 36.42 2 0 1000.00 -999 ? >VAL~B 11 45.82 11.45 31.32 45.76 12.83 29.64 45.79 12.14 30.48 3 0 1000.00 -999 ? >ARG~B 12 50.54 7.63 28.81 52.80 8.98 30.41 51.67 8.30 29.61 2 0 1000.00 -999 ? >GLN.B 13 46.68 6.84 35.56 48.40 6.42 36.74 47.54 6.63 36.15 2 0 1000.00 -999 ? >PRO.B 14 42.29 3.44 34.64 42.81 5.61 35.01 42.55 4.52 34.83 3 0 1000.00 -999 ? >VAL^B 15 42.04 8.60 37.90 42.73 10.27 36.59 42.38 9.44 37.24 3 0 1000.00 -999 ? >LYS^B 16 40.15 9.53 41.01 40.12 6.21 46.30 40.13 7.87 43.66 2 0 1000.00 -999 ? >LEU^B 17 37.57 13.48 42.19 37.25 14.59 40.38 37.41 14.03 41.28 3 0 1000.00 -999 ? >TYR^B 18 41.60 11.66 46.81 42.23 8.92 46.92 41.92 10.29 46.87 3 0 1000.00 -999 ? >SER~B 19 38.46 16.24 48.50 37.37 15.34 50.44 37.92 15.79 49.47 2 0 1000.00 -999 ? >VAL~B 20 41.17 17.54 50.87 42.17 19.45 51.31 41.67 18.50 51.09 3 0 1000.00 -999 ? >ALA~B 21 39.43 15.78 53.77 37.98 16.02 54.22 38.70 15.90 54.00 2 0 1000.00 -999 ? >THR~B 22 39.33 12.43 51.94 37.90 11.56 50.62 38.61 12.00 51.28 2 0 1000.00 -999 ? >LEU~B 23 43.75 13.80 50.23 45.74 13.41 49.42 44.75 13.61 49.82 3 0 1000.00 -999 ? >PHE~B 24 43.93 14.87 56.86 45.17 15.19 59.37 44.55 15.03 58.11 3 0 1000.00 -999 ? >HIS~B 25 39.79 9.10 56.15 39.02 7.23 56.73 39.40 8.16 56.44 3 0 1000.00 -999 ? >GLU~B 26 44.67 7.28 51.16 44.27 6.88 49.10 44.47 7.08 50.13 2 0 1000.00 -999 ? >PHE~B 27 48.44 11.24 53.74 50.04 12.23 51.69 49.24 11.74 52.71 3 0 1000.00 -999 ? >SER~B 28 45.76 8.57 58.21 44.54 10.55 59.04 45.15 9.56 58.63 2 0 1000.00 -999 ? >GLU~B 29 42.17 5.10 56.63 41.58 3.76 58.20 41.87 4.43 57.42 2 0 1000.00 -999 ? >VAL~B 30 47.93 4.19 55.25 48.68 4.47 53.19 48.31 4.33 54.22 3 0 1000.00 -999 ? >ILE~B 31 50.21 6.96 58.51 50.84 8.18 58.66 50.52 7.57 58.58 3 0 1000.00 -999 ? >THR~B 32 48.29 3.60 60.76 46.26 3.22 61.37 47.28 3.41 61.06 2 0 1000.00 -999 ? >LYS~B 33 48.51 0.31 58.79 43.78 0.31 54.62 46.14 0.31 56.70 2 0 1000.00 -999 ? >LEU~B 34 52.93 1.90 57.37 53.31 1.95 55.24 53.12 1.93 56.30 3 0 1000.00 -999 ? >GLU~B 35 52.69 4.04 62.34 51.99 5.66 63.58 52.34 4.85 62.96 2 0 1000.00 -999 ? >HIS~B 36 49.18 -3.48 62.96 48.57 -5.28 63.85 48.87 -4.38 63.41 3 0 1000.00 -999 ? >SER~B 37 53.95 -3.45 60.69 53.04 -3.92 58.50 53.49 -3.68 59.60 2 0 1000.00 -999 ? >VAL.B 38 56.72 -1.93 62.78 57.28 0.17 63.38 57.00 -0.88 63.08 3 0 1000.00 -999 ? >GLN.B 39 58.07 -6.69 63.31 58.77 -8.39 62.17 58.42 -7.54 62.74 2 0 1000.00 -999 ? >LYS.B 40 62.05 -3.22 65.89 64.85 -8.43 68.18 63.45 -5.83 67.03 2 0 1000.00 -999 ? >GLU.B 41 64.51 0.82 67.72 64.46 2.03 69.47 64.48 1.43 68.60 2 0 1000.00 -999 ? >PRO.B 42 64.83 2.88 62.21 65.45 0.98 63.18 65.14 1.93 62.69 3 0 1000.00 -999 ? >THR.B 43 69.76 1.28 63.52 71.10 -0.12 64.50 70.43 0.58 64.01 2 0 1000.00 -999 ? >SER.B 44 71.15 2.37 60.19 72.62 0.46 59.83 71.89 1.42 60.01 2 0 1000.00 -999 ? >LEU.B 45 68.74 5.86 58.51 67.13 5.92 59.96 67.93 5.89 59.23 3 0 1000.00 -999 ? >LEU.B 46 67.67 3.66 53.29 67.25 1.55 53.13 67.46 2.61 53.21 3 0 1000.00 -999 ? >SER~B 47 70.54 6.91 51.99 71.62 5.96 49.99 71.08 6.44 50.99 2 0 1000.00 -999 ? >GLU~B 48 67.25 10.89 50.71 65.18 10.53 51.02 66.22 10.71 50.86 2 0 1000.00 -999 ? >GLU~B 49 71.63 6.04 45.44 73.69 6.35 45.05 72.66 6.19 45.25 2 0 1000.00 -999 ? >ASN~B 50 69.95 2.67 49.45 71.87 2.20 48.72 70.91 2.44 49.09 2 0 1000.00 -999 ? >TRP~B 51 63.77 4.76 52.58 60.76 6.17 50.50 62.27 5.46 51.54 3 0 1000.00 -999 ? >HIS~B 52 64.43 7.18 45.01 63.29 8.92 44.79 63.86 8.05 44.90 3 0 1000.00 -999 ? >LYS~B 53 65.62 1.55 45.07 71.86 1.71 43.88 68.74 1.63 44.48 2 0 1000.00 -999 ? >GLN~B 54 65.50 -0.79 49.88 65.75 -2.72 48.96 65.62 -1.76 49.42 2 0 1000.00 -999 ? >PHE~B 55 59.16 3.99 47.34 56.43 4.64 47.01 57.79 4.31 47.17 3 0 1000.00 -999 ? >LEU~B 56 61.78 0.76 42.91 61.58 1.86 41.11 61.68 1.31 42.01 3 0 1000.00 -999 ? >LYS~B 57 60.49 -2.88 44.97 66.32 -4.99 46.44 63.40 -3.94 45.71 2 0 1000.00 -999 ? >PHE~B 58 56.82 -0.59 49.53 54.63 0.10 51.13 55.72 -0.24 50.33 3 0 1000.00 -999 ? >ALA~B 59 55.70 -0.25 45.10 56.01 1.09 44.40 55.85 0.42 44.75 2 0 1000.00 -999 ? >GLN~B 60 57.82 -2.58 40.91 59.72 -3.17 40.24 58.77 -2.87 40.57 2 0 1000.00 -999 ? >ALA~B 61 54.56 -5.36 45.20 55.46 -6.03 46.28 55.01 -5.69 45.74 2 0 1000.00 -999 ? >LEU.B 62 51.68 -1.59 46.37 52.14 -0.50 48.19 51.91 -1.04 47.28 3 0 1000.00 -999 ? >PRO.B 63 47.42 -3.85 47.06 48.64 -3.53 45.18 48.03 -3.69 46.12 3 0 1000.00 -999 ? >ALA.B 64 47.08 -1.87 41.50 47.52 -2.25 40.08 47.30 -2.06 40.79 2 0 1000.00 -999 ? >HIS.B 65 43.05 -4.80 43.47 42.83 -6.72 42.67 42.94 -5.76 43.07 3 0 1000.00 -999 ? >GLY.B 66 42.22 0.99 44.24 42.44 0.42 44.71 42.33 0.70 44.47 1 0 1000.00 -999 ? >SER.B 67 43.06 0.28 47.87 41.01 -0.92 48.53 42.04 -0.32 48.19 2 0 1000.00 -999 ? >ALA.B 68 45.31 -1.78 50.11 46.77 -1.32 50.00 46.04 -1.55 50.05 2 0 1000.00 -999 ? >SER~B 69 44.60 -3.66 53.36 44.88 -5.95 52.82 44.74 -4.80 53.09 2 0 1000.00 -999 ? >TRP~B 70 49.29 -3.64 58.62 49.88 -7.45 59.47 49.58 -5.55 59.04 3 0 1000.00 -999 ? >LEU~B 71 47.13 -8.58 54.65 47.78 -10.64 54.71 47.45 -9.61 54.68 3 0 1000.00 -999 ? >ASN~B 72 47.69 -5.13 50.47 45.97 -6.18 49.78 46.83 -5.65 50.13 2 0 1000.00 -999 ? >LEU~B 73 50.60 -2.23 53.72 49.83 -0.30 53.12 50.22 -1.26 53.42 3 0 1000.00 -999 ? >ASP~B 74 52.25 -6.51 56.21 53.76 -7.39 57.43 53.00 -6.95 56.82 2 0 1000.00 -999 ? >ASP~B 75 52.13 -8.87 51.24 51.13 -10.49 52.16 51.63 -9.68 51.70 2 0 1000.00 -999 ? >ALA~B 76 54.75 -5.45 50.01 54.03 -4.14 49.55 54.39 -4.80 49.78 2 0 1000.00 -999 ? >LEU~B 77 56.85 -4.50 54.30 56.52 -2.53 55.13 56.69 -3.51 54.72 3 0 1000.00 -999 ? >GLN~B 78 57.03 -9.65 53.53 57.91 -8.87 55.30 57.47 -9.26 54.41 2 0 1000.00 -999 ? >ALA~B 79 59.80 -7.29 48.75 58.96 -6.66 47.63 59.38 -6.98 48.19 2 0 1000.00 -999 ? >VAL~B 80 62.21 -4.93 50.48 61.96 -2.97 51.48 62.08 -3.95 50.98 3 0 1000.00 -999 ? >VAL~B 81 65.68 -6.37 51.13 67.63 -6.11 50.24 66.66 -6.24 50.68 3 0 1000.00 -999 ? >GLY~B 82 65.51 -7.84 54.60 65.99 -7.31 54.37 65.75 -7.58 54.49 1 0 1000.00 -999 ? >ASN~B 83 69.93 -6.17 55.72 70.34 -5.11 53.90 70.13 -5.64 54.81 2 0 1000.00 -999 ? >SER~B 84 66.98 -2.74 55.07 68.57 -2.46 53.27 67.77 -2.60 54.17 2 0 1000.00 -999 ? >ARG~B 85 60.52 -6.22 56.22 61.79 -7.57 53.77 61.16 -6.89 55.00 2 0 1000.00 -999 ? >SER~B 86 63.27 -1.73 59.27 63.30 -2.47 61.53 63.29 -2.10 60.40 2 0 1000.00 -999 ? >ALA~B 87 64.92 1.41 57.96 66.31 1.44 57.40 65.61 1.43 57.68 2 0 1000.00 -999 ? >PHE~B 88 61.43 0.72 52.88 59.46 1.42 50.98 60.45 1.07 51.93 3 0 1000.00 -999 ? >LEU~B 89 59.23 0.02 57.72 57.24 -0.41 58.37 58.24 -0.19 58.05 3 0 1000.00 -999 ? >HIS~B 90 62.17 5.06 61.17 62.50 6.77 62.33 62.34 5.92 61.75 3 0 1000.00 -999 ? >GLN~B 91 64.12 6.15 56.60 65.76 5.59 55.38 64.94 5.87 55.99 2 0 1000.00 -999 ? >LEU~B 92 57.91 4.26 54.39 56.18 4.12 53.07 57.04 4.19 53.73 3 0 1000.00 -999 ? >ILE~B 93 56.31 5.69 59.14 55.72 4.88 60.16 56.01 5.29 59.65 3 0 1000.00 -999 ? >ALA~B 94 58.31 9.70 58.54 59.81 9.78 58.88 59.06 9.74 58.71 2 0 1000.00 -999 ? >LYS~B 95 58.02 10.84 54.90 62.28 10.59 51.23 60.15 10.71 53.06 2 0 1000.00 -999 ? >LEU~B 96 53.55 8.83 55.01 53.08 7.34 53.48 53.32 8.09 54.25 3 0 1000.00 -999 ? >LYS~B 97 53.70 11.89 58.28 53.24 8.86 63.86 53.47 10.38 61.07 2 0 1000.00 -999 ? >SER~B 98 55.56 15.00 57.00 57.40 16.28 56.04 56.48 15.64 56.52 2 0 1000.00 -999 ? >ARG~B 99 55.46 15.06 51.07 56.21 14.68 48.08 55.84 14.87 49.58 2 0 1000.00 -999 ? >HIS~B 100 48.88 12.99 57.46 46.99 12.34 58.10 47.93 12.66 57.78 3 0 1000.00 -999 ? >LEU~B 101 51.88 18.19 58.55 52.21 17.86 60.66 52.05 18.03 59.60 3 0 1000.00 -999 ? >GLN~B 102 53.69 19.58 54.05 55.33 18.84 52.94 54.51 19.21 53.50 2 0 1000.00 -999 ? >VAL~B 103 47.94 18.35 52.84 47.18 16.23 52.96 47.56 17.29 52.90 3 0 1000.00 -999 ? >LEU~B 104 46.49 20.68 56.87 45.74 19.44 58.45 46.12 20.06 57.66 3 0 1000.00 -999 ? >GLU~B 105 50.01 23.89 54.38 49.82 25.67 55.58 49.92 24.78 54.98 2 0 1000.00 -999 ? >LEU~B 106 45.22 21.21 49.81 46.52 20.05 48.52 45.87 20.63 49.16 3 0 1000.00 -999 ? >ASN~B 107 41.99 23.76 53.70 41.26 21.80 54.10 41.62 22.78 53.90 2 0 1000.00 -999 ? >LYS~B 108 43.76 27.43 51.47 47.17 29.42 48.97 45.46 28.42 50.22 2 0 1000.00 -999 ? >ILE~B 109 44.97 25.99 47.04 46.24 25.74 46.45 45.60 25.86 46.74 3 0 1000.00 -999 ? >GLY~B 110 40.82 24.78 47.72 40.88 25.49 48.05 40.85 25.13 47.88 1 0 1000.00 -999 ? >SER~B 111 38.79 27.55 49.38 38.90 27.10 51.76 38.84 27.33 50.57 2 0 1000.00 -999 ? >GLU~B 112 41.97 30.45 46.93 43.77 30.89 45.97 42.87 30.67 46.45 2 0 1000.00 -999 ? >PRO.B 113 36.01 32.73 45.79 36.81 30.70 45.35 36.41 31.71 45.57 3 0 1000.00 -999 ? >LEU.B 114 37.28 28.96 40.71 38.27 29.19 38.79 37.78 29.07 39.75 3 0 1000.00 -999 ? >ASP^B 115 32.83 31.46 38.38 30.82 31.23 38.90 31.82 31.34 38.64 2 0 1000.00 -999 ? >LEU^B 116 34.66 26.89 35.35 36.80 26.78 35.51 35.73 26.83 35.43 3 0 1000.00 -999 ? >SER.B 117 31.02 28.09 32.69 31.84 26.20 31.43 31.43 27.15 32.06 2 0 1000.00 -999 ? >ASN.B 118 27.76 30.60 34.07 26.22 31.85 34.94 26.99 31.23 34.50 2 0 1000.00 -999 ? >LEU^B 119 28.69 26.41 37.52 26.83 25.64 36.77 27.76 26.02 37.15 3 0 1000.00 -999 ? >PRO^B 120 29.10 26.90 42.21 30.53 27.64 40.66 29.82 27.27 41.44 3 0 1000.00 -999 ? >ALA.B 121 33.90 25.14 40.29 34.89 25.42 39.15 34.40 25.28 39.72 2 0 1000.00 -999 ? >PRO.B 122 33.22 21.43 42.50 34.53 23.24 42.67 33.88 22.33 42.59 3 0 1000.00 -999 ? >PHE^B 123 40.69 22.29 45.24 43.35 21.47 45.68 42.02 21.88 45.46 3 0 1000.00 -999 ? >TYR^B 124 37.29 17.27 43.72 34.65 17.18 44.61 35.97 17.23 44.17 3 0 1000.00 -999 ? >VAL^B 125 43.03 16.66 44.17 44.50 16.21 45.75 43.77 16.43 44.96 3 0 1000.00 -999 ? >LEU^B 126 43.52 15.05 39.73 42.78 14.20 37.87 43.15 14.62 38.80 3 0 1000.00 -999 ? >LEU^B 127 45.38 10.77 43.19 46.58 11.74 44.71 45.98 11.25 43.95 3 0 1000.00 -999 ? >PRO^B 128 48.11 8.09 40.17 45.85 8.17 40.49 46.98 8.13 40.33 3 0 1000.00 -999 ? >GLU.B 129 41.03 3.46 40.41 39.50 4.46 41.47 40.26 3.96 40.94 2 0 1000.00 -999 ? >SER~B 130 45.72 2.46 41.30 47.86 1.43 40.84 46.79 1.94 41.07 2 0 1000.00 -999 ? >PHE~B 131 47.19 1.54 47.25 48.33 2.19 49.74 47.76 1.87 48.50 3 0 1000.00 -999 ? >ALA~B 132 50.58 1.54 43.87 51.13 0.30 43.08 50.86 0.92 43.48 2 0 1000.00 -999 ? >ALA~B 133 50.63 4.42 41.34 49.78 4.52 40.07 50.20 4.47 40.70 2 0 1000.00 -999 ? >ARG~B 134 45.71 7.76 45.54 44.14 5.08 45.73 44.92 6.42 45.64 2 0 1000.00 -999 ? >ILE~B 135 51.20 4.78 47.65 51.41 4.71 48.44 51.31 4.74 48.04 3 0 1000.00 -999 ? >THR~B 136 54.22 6.35 44.52 55.14 5.20 42.86 54.68 5.78 43.69 2 0 1000.00 -999 ? >LEU~B 137 51.72 10.11 42.72 51.51 11.24 40.91 51.62 10.68 41.81 3 0 1000.00 -999 ? >LEU~B 138 51.14 10.46 47.92 49.04 10.97 47.85 50.09 10.72 47.88 3 0 1000.00 -999 ? >VAL~B 139 55.54 9.82 48.34 56.06 8.03 49.49 55.80 8.93 48.92 3 0 1000.00 -999 ? >GLN~B 140 58.20 8.36 44.57 59.69 6.88 44.07 58.95 7.62 44.32 2 0 1000.00 -999 ? >ASP~B 141 55.39 13.33 42.45 55.62 14.19 40.54 55.50 13.76 41.49 2 0 1000.00 -999 ? >LYS.B 142 57.41 17.03 43.73 62.62 16.30 42.11 60.01 16.67 42.92 2 0 1000.00 -999 ? >ALA^B 143 53.88 17.97 42.79 53.82 18.56 41.41 53.85 18.26 42.10 2 0 1000.00 -999 ? >LEU^B 144 49.85 17.19 44.92 48.27 16.16 45.97 49.06 16.68 45.44 3 0 1000.00 -999 ? >PRO^B 145 48.12 15.18 40.01 48.21 17.09 41.15 48.17 16.13 40.58 3 0 1000.00 -999 ? >TYR^B 146 44.63 21.38 41.99 44.97 24.13 41.56 44.80 22.76 41.78 3 0 1000.00 -999 ? >VAL^B 147 41.34 20.08 39.21 40.63 18.09 38.63 40.98 19.08 38.92 3 0 1000.00 -999 ? >ARG^B 148 38.96 24.94 41.26 38.95 26.67 43.79 38.95 25.80 42.52 2 0 1000.00 -999 ? >VAL^B 149 35.42 20.85 38.17 35.05 18.80 38.77 35.24 19.83 38.47 3 0 1000.00 -999 ? >SER^B 150 32.49 22.15 36.16 31.64 24.28 35.42 32.06 23.21 35.79 2 0 1000.00 -999 ? >MET?B 151 30.14 21.16 33.31 26.62 20.36 35.45 28.38 20.76 34.38 2 0 1000.00 -999 ? >GLU^B 152 29.61 23.45 27.72 29.47 25.41 28.55 29.54 24.43 28.13 2 0 1000.00 -999 ? >TYR^B 153 23.63 22.48 31.03 23.26 21.99 33.76 23.45 22.24 32.39 3 0 1000.00 -999 ? >TRP.B 154 25.08 16.88 26.99 27.84 16.17 24.21 26.46 16.53 25.60 3 0 1000.00 -999 ? >HIS~B 155 20.95 23.93 27.09 21.39 25.14 28.76 21.17 24.54 27.93 3 0 1000.00 -999 ? >ALA~B 156 24.65 25.46 25.25 25.40 25.79 26.57 25.03 25.63 25.91 2 0 1000.00 -999 ? >LEU~B 157 27.19 22.10 23.02 28.93 21.93 24.34 28.06 22.02 23.68 3 0 1000.00 -999 ? >GLU~B 158 22.01 22.27 20.86 20.07 22.33 21.58 21.04 22.30 21.22 2 0 1000.00 -999 ? >TYR.B 159 24.21 26.81 14.59 24.85 28.92 12.82 24.53 27.86 13.71 3 0 1000.00 -999 ? >LYS.B 160 23.16 29.56 17.98 21.79 27.26 22.59 22.47 28.41 20.29 2 0 1000.00 -999 ? >GLY.B 161 23.43 31.56 14.77 24.07 31.31 15.07 23.75 31.43 14.92 1 0 1000.00 -999 ? >GLU.B 162 25.08 35.01 10.92 24.86 35.34 8.82 24.97 35.17 9.87 2 0 1000.00 -999 ? >LEU.B 163 24.93 37.40 15.23 24.45 38.63 13.53 24.69 38.01 14.38 3 0 1000.00 -999 ? >ASN.B 164 28.64 34.70 18.36 30.46 34.04 17.40 29.55 34.37 17.88 2 0 1000.00 -999 ?