REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAR-07 2EMQ COMPND HYPOTHETICAL CONSERVED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; SOURCE 3 ORGANISM_TAXID: 235909; SOURCE 4 STRAIN: HTA426; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR P.H.REHSE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 2 (RSGI) >GLN.A 10 12.93 8.38 -26.16 15.02 8.70 -25.87 13.98 8.54 -26.02 2 0 1000.00 -999 ? >MET.A 11 12.85 3.14 -22.90 15.89 0.62 -24.21 14.37 1.88 -23.55 2 0 1000.00 -999 ? >THR.A 12 11.57 3.66 -19.37 9.57 4.28 -18.85 10.57 3.97 -19.11 2 0 1000.00 -999 ? >VAL.A 13 12.42 2.64 -15.79 12.92 3.87 -14.06 12.67 3.25 -14.93 3 0 1000.00 -999 ? >PRO.A 15 11.18 -1.42 -19.04 11.57 -2.06 -16.94 11.38 -1.74 -17.99 3 0 1000.00 -999 ? >PHE.A 16 16.57 -1.37 -16.64 17.24 -0.62 -19.24 16.90 -1.00 -17.94 3 0 1000.00 -999 ? >LEU.A 17 12.01 -1.24 -11.52 10.59 -1.06 -9.90 11.30 -1.15 -10.71 3 0 1000.00 -999 ? >ILE^A 18 15.08 -4.60 -7.93 16.27 -5.35 -7.48 15.67 -4.97 -7.71 3 0 1000.00 -999 ? >PRO^A 19 10.49 -7.03 -7.72 10.99 -4.87 -7.52 10.74 -5.95 -7.62 3 0 1000.00 -999 ? >ALA.A 20 9.94 -3.44 -3.56 8.79 -2.53 -3.14 9.37 -2.98 -3.35 2 0 1000.00 -999 ? >ASP~A 21 8.04 -7.86 -2.86 8.75 -8.68 -4.68 8.40 -8.27 -3.77 2 0 1000.00 -999 ? >VAL~A 23 14.13 -4.79 -1.20 14.59 -3.07 -2.44 14.36 -3.93 -1.82 3 0 1000.00 -999 ? >ALA.A 24 14.77 -4.40 2.52 16.03 -4.85 3.24 15.40 -4.62 2.88 2 0 1000.00 -999 ? >HIS.A 25 10.94 -1.26 4.23 9.26 -2.11 5.16 10.10 -1.68 4.69 3 0 1000.00 -999 ? >VAL.A 26 12.86 0.13 7.70 14.97 0.44 8.14 13.91 0.29 7.92 3 0 1000.00 -999 ? >GLN.A 27 8.23 0.49 9.56 9.25 -1.39 9.49 8.74 -0.45 9.53 2 0 1000.00 -999 ? >PRO.A 28 8.75 6.20 9.35 10.63 5.22 10.08 9.69 5.71 9.71 3 0 1000.00 -999 ? >GLY.A 29 10.16 4.95 14.00 10.62 4.41 13.60 10.39 4.68 13.80 1 0 1000.00 -999 ? >ASN.A 30 12.99 1.13 13.14 11.29 0.22 12.22 12.14 0.68 12.68 2 0 1000.00 -999 ? >TYR~A 31 14.76 2.26 18.96 12.86 3.20 20.79 13.81 2.73 19.87 3 0 1000.00 -999 ? >LEU~A 32 19.91 4.09 15.21 19.59 6.08 14.43 19.75 5.08 14.82 3 0 1000.00 -999 ? >ASP~A 33 20.33 -0.63 17.74 18.38 -0.89 18.50 19.36 -0.76 18.12 2 0 1000.00 -999 ? >HIS~A 34 15.31 -2.76 13.60 14.28 -4.22 12.50 14.80 -3.49 13.05 3 0 1000.00 -999 ? >ALA~A 35 18.36 -0.24 11.00 18.25 1.25 10.77 18.31 0.50 10.88 2 0 1000.00 -999 ? >LEU~A 36 22.69 -0.57 13.12 24.74 -0.92 13.72 23.72 -0.75 13.42 3 0 1000.00 -999 ? >LEU~A 37 20.35 -5.28 13.03 19.99 -7.38 13.39 20.17 -6.33 13.21 3 0 1000.00 -999 ? >VAL~A 38 19.39 -4.76 8.74 17.32 -4.41 8.16 18.36 -4.59 8.45 3 0 1000.00 -999 ? >LEU~A 39 22.47 -1.30 7.25 21.71 0.52 6.39 22.09 -0.39 6.82 3 0 1000.00 -999 ? >THR~A 40 24.69 -5.08 8.04 25.67 -5.31 9.95 25.18 -5.20 9.00 2 0 1000.00 -999 ? >THR~A 42 21.60 -6.43 3.22 20.53 -4.60 3.65 21.07 -5.51 3.43 2 0 1000.00 -999 ? >GLY.A 43 23.96 -5.83 0.31 23.37 -5.25 0.41 23.66 -5.54 0.36 1 0 1000.00 -999 ? >TYR.A 44 21.16 -2.49 -1.75 20.15 -3.76 -4.03 20.66 -3.13 -2.89 3 0 1000.00 -999 ? >SER.A 45 24.74 1.16 0.82 24.17 2.56 -1.08 24.45 1.86 -0.13 2 0 1000.00 -999 ? >ALA.A 46 21.48 2.63 2.11 21.22 4.05 1.62 21.35 3.34 1.87 2 0 1000.00 -999 ? >ILE^A 47 17.83 0.39 3.95 18.38 -0.34 5.08 18.10 0.02 4.51 3 0 1000.00 -999 ? >PRO^A 48 14.76 1.64 -0.02 15.18 2.52 1.98 14.97 2.08 0.98 3 0 1000.00 -999 ? >VAL^A 49 12.60 4.31 4.89 13.38 5.56 6.49 12.99 4.94 5.69 3 0 1000.00 -999 ? >LEU^A 50 8.57 2.26 3.61 9.07 1.93 1.54 8.82 2.10 2.57 3 0 1000.00 -999 ? >ASP.A 51 5.22 5.50 6.84 4.14 5.83 5.06 4.68 5.66 5.95 2 0 1000.00 -999 ? >THR.A 52 3.18 1.95 7.50 2.35 2.68 9.35 2.77 2.32 8.43 2 0 1000.00 -999 ? >SER.A 53 1.42 3.02 4.29 0.48 5.03 5.27 0.95 4.02 4.78 2 0 1000.00 -999 ? >TYR.A 54 4.84 -0.16 0.99 6.55 -2.28 0.31 5.70 -1.22 0.65 3 0 1000.00 -999 ? >LYS.A 55 5.21 5.66 1.43 0.49 8.11 0.22 2.85 6.89 0.82 2 0 1000.00 -999 ? >LEU^A 56 9.58 6.43 -0.49 11.68 6.34 -0.97 10.63 6.39 -0.73 3 0 1000.00 -999 ? >HIS^A 57 8.52 8.65 5.26 6.52 8.65 5.91 7.52 8.65 5.59 3 0 1000.00 -999 ? >GLY^A 58 13.97 8.66 2.66 13.72 7.90 2.79 13.85 8.28 2.73 1 0 1000.00 -999 ? >LEU^A 59 18.08 6.69 1.70 17.71 5.98 -0.30 17.90 6.34 0.70 3 0 1000.00 -999 ? >ILE^A 60 18.66 5.44 7.13 18.56 4.61 8.35 18.61 5.02 7.74 3 0 1000.00 -999 ? >SER~A 61 22.92 4.42 5.79 24.11 6.33 4.86 23.51 5.38 5.32 2 0 1000.00 -999 ? >MET~A 62 25.54 3.63 8.41 26.77 -0.20 9.23 26.16 1.72 8.82 2 0 1000.00 -999 ? >THR~A 63 27.46 6.83 7.64 28.67 7.72 6.07 28.06 7.27 6.86 2 0 1000.00 -999 ? >MET~A 64 24.28 8.75 8.48 21.08 8.89 5.81 22.68 8.82 7.15 2 0 1000.00 -999 ? >MET~A 65 23.99 7.06 11.87 21.90 3.45 11.84 22.94 5.25 11.85 2 0 1000.00 -999 ? >MET~A 66 27.66 7.20 12.88 28.65 4.32 13.70 28.15 5.76 13.29 2 0 1000.00 -999 ? >ASP~A 67 27.47 11.30 10.36 28.38 13.14 9.88 27.92 12.22 10.12 2 0 1000.00 -999 ? >ALA~A 68 24.93 11.65 14.19 23.48 11.29 13.87 24.20 11.47 14.03 2 0 1000.00 -999 ? >ILE~A 69 26.24 8.48 17.46 25.94 7.16 17.06 26.09 7.82 17.26 3 0 1000.00 -999 ? >LEU.A 70 30.73 11.72 15.51 31.86 10.39 14.24 31.29 11.05 14.87 3 0 1000.00 -999 ? >GLY.A 71 30.77 13.13 20.09 31.38 12.92 19.53 31.08 13.03 19.81 1 0 1000.00 -999 ? >LEU.A 72 33.71 16.63 21.67 33.37 18.60 20.87 33.54 17.61 21.27 3 0 1000.00 -999 ? >GLU.A 73 35.24 14.24 25.23 35.01 14.32 27.33 35.13 14.28 26.28 2 0 1000.00 -999 ? >ARG.A 74 32.14 8.48 25.15 29.08 8.40 25.40 30.61 8.44 25.27 2 0 1000.00 -999 ? >ILE.A 75 31.78 6.71 18.31 32.20 6.25 16.98 31.99 6.48 17.64 3 0 1000.00 -999 ? >GLU~A 76 28.32 10.24 22.30 27.15 11.94 22.76 27.74 11.09 22.53 2 0 1000.00 -999 ? >PHE~A 77 29.11 2.95 19.66 31.07 2.74 17.67 30.09 2.85 18.67 3 0 1000.00 -999 ? >GLU~A 78 24.87 6.26 25.01 26.83 7.05 24.99 25.85 6.66 25.00 2 0 1000.00 -999 ? >ARG~A 79 23.98 10.05 21.41 23.46 12.49 19.64 23.72 11.27 20.53 2 0 1000.00 -999 ? >LEU~A 80 22.72 2.99 18.08 24.16 3.55 16.56 23.44 3.27 17.32 3 0 1000.00 -999 ? >THR~A 82 17.29 5.37 21.85 18.35 6.20 23.54 17.82 5.78 22.69 2 0 1000.00 -999 ? >MET.A 83 17.32 7.27 18.54 20.84 9.44 18.06 19.08 8.35 18.30 2 0 1000.00 -999 ? >LYS~A 84 14.81 6.41 15.81 10.01 5.61 18.56 12.41 6.01 17.18 2 0 1000.00 -999 ? >VAL~A 85 15.67 6.41 12.09 14.71 4.68 11.15 15.19 5.55 11.62 3 0 1000.00 -999 ? >GLU~A 86 12.00 9.86 13.36 10.03 10.14 14.08 11.01 10.00 13.72 2 0 1000.00 -999 ? >GLU~A 87 15.12 11.62 15.65 15.42 10.65 17.50 15.27 11.14 16.57 2 0 1000.00 -999 ? >VAL~A 88 18.88 10.54 11.04 20.50 9.38 11.90 19.69 9.96 11.47 3 0 1000.00 -999 ? >MET.A 89 17.52 9.56 7.62 13.42 8.80 7.59 15.47 9.18 7.60 2 0 1000.00 -999 ? >ASN.A 90 19.16 11.48 3.60 19.40 12.95 2.08 19.28 12.22 2.84 2 0 1000.00 -999 ? >ARG.A 91 12.16 14.02 5.92 12.58 13.79 8.95 12.37 13.91 7.43 2 0 1000.00 -999 ? >ASN.A 92 17.08 16.25 0.34 16.10 18.05 0.95 16.59 17.15 0.64 2 0 1000.00 -999 ? >ILE.A 93 16.42 10.68 -1.51 16.01 9.81 -0.43 16.21 10.25 -0.97 3 0 1000.00 -999 ? >PRO.A 94 18.13 10.37 -5.84 16.36 11.56 -5.19 17.24 10.97 -5.51 3 0 1000.00 -999 ? >ARG^A 95 10.85 10.51 -3.66 10.03 10.94 -0.73 10.44 10.72 -2.20 2 0 1000.00 -999 ? >LEU^A 96 13.01 7.20 -10.88 14.72 7.84 -12.03 13.87 7.52 -11.45 3 0 1000.00 -999 ? >ARG^A 97 5.24 8.71 -12.77 3.46 8.32 -15.23 4.35 8.51 -14.00 2 0 1000.00 -999 ? >LEU.A 98 6.59 2.94 -12.77 6.48 1.23 -11.47 6.54 2.08 -12.12 3 0 1000.00 -999 ? >ASP.A 99 6.07 5.96 -16.72 5.18 4.09 -17.03 5.63 5.03 -16.88 2 0 1000.00 -999 ? >ASP.A 100 11.24 8.50 -15.15 10.47 10.05 -13.93 10.85 9.27 -14.54 2 0 1000.00 -999 ? >SER~A 101 12.85 8.31 -19.30 13.97 10.47 -19.16 13.41 9.39 -19.23 2 0 1000.00 -999 ? >LEU~A 102 15.89 4.62 -20.18 16.86 2.76 -19.66 16.38 3.69 -19.92 3 0 1000.00 -999 ? >MET~A 103 17.88 8.66 -20.07 20.27 10.11 -21.38 19.08 9.39 -20.73 2 0 1000.00 -999 ? >LYS~A 104 16.90 10.44 -16.85 11.99 12.60 -13.53 14.45 11.52 -15.19 2 0 1000.00 -999 ? >ALA~A 105 17.52 7.34 -14.72 16.82 6.00 -14.93 17.17 6.67 -14.83 2 0 1000.00 -999 ? >VAL~A 106 21.07 6.73 -15.98 21.98 5.80 -17.74 21.52 6.27 -16.86 3 0 1000.00 -999 ? >GLY~A 107 22.01 10.32 -15.20 21.71 9.70 -14.70 21.86 10.01 -14.95 1 0 1000.00 -999 ? >LEU~A 108 19.44 9.61 -11.20 17.94 11.15 -10.88 18.69 10.38 -11.04 3 0 1000.00 -999 ? >ILE~A 109 22.35 5.07 -11.52 21.74 4.13 -12.28 22.05 4.60 -11.90 3 0 1000.00 -999 ? >VAL~A 110 26.00 8.10 -12.14 26.74 9.08 -13.94 26.37 8.59 -13.04 3 0 1000.00 -999 ? >ASN~A 111 25.27 11.32 -8.72 26.44 12.83 -9.67 25.85 12.08 -9.19 2 0 1000.00 -999 ? >HIS~A 112 22.04 9.33 -6.37 21.65 11.39 -6.50 21.84 10.36 -6.43 3 0 1000.00 -999 ? >PRO.A 113 24.59 4.38 -3.92 24.46 4.53 -6.15 24.53 4.46 -5.03 3 0 1000.00 -999 ? >PHE^A 114 19.97 2.16 -4.56 19.14 2.34 -1.89 19.55 2.25 -3.23 3 0 1000.00 -999 ? >VAL^A 115 17.50 5.40 -6.73 17.44 7.26 -7.86 17.47 6.33 -7.29 3 0 1000.00 -999 ? >CYH^A 116 14.05 4.72 -5.27 14.64 4.77 -2.52 14.34 4.74 -3.89 2 0 1000.00 -999 ? >VAL^A 117 11.12 4.29 -7.65 11.44 3.27 -9.55 11.28 3.78 -8.60 3 0 1000.00 -999 ? >GLU^A 118 8.38 7.16 -4.95 8.02 9.11 -4.23 8.20 8.14 -4.59 2 0 1000.00 -999 ? >ASN.A 119 3.72 2.77 -8.00 2.56 3.18 -6.27 3.14 2.98 -7.14 2 0 1000.00 -999 ? >ASP.A 120 1.50 5.98 -11.47 2.88 5.62 -13.02 2.19 5.80 -12.24 2 0 1000.00 -999 ? >ASP.A 121 -0.75 5.29 -6.38 -2.02 4.12 -7.60 -1.39 4.71 -6.99 2 0 1000.00 -999 ? >GLY.A 122 2.74 7.56 -4.88 2.64 6.74 -4.83 2.69 7.15 -4.86 1 0 1000.00 -999 ? >TYR.A 123 1.57 3.68 -2.19 -0.67 4.60 -0.79 0.45 4.14 -1.49 3 0 1000.00 -999 ? >PHE^A 124 9.49 1.99 -2.13 12.05 1.00 -2.65 10.77 1.49 -2.39 3 0 1000.00 -999 ? >ALA^A 125 7.49 0.49 -6.09 7.03 0.98 -7.46 7.26 0.73 -6.77 2 0 1000.00 -999 ? >GLY^A 126 11.14 -0.54 -6.00 11.13 0.28 -6.00 11.13 -0.13 -6.00 1 0 1000.00 -999 ? >ILE^A 127 15.68 0.25 -5.74 16.13 -0.52 -4.62 15.90 -0.13 -5.18 3 0 1000.00 -999 ? >PHE^A 128 17.10 2.80 -12.03 18.27 2.81 -14.57 17.69 2.81 -13.30 3 0 1000.00 -999 ? >THR^A 129 20.39 0.35 -9.45 20.07 -1.63 -8.67 20.23 -0.64 -9.06 2 0 1000.00 -999 ? >ARG~A 130 26.14 3.04 -9.06 27.83 5.35 -7.98 26.98 4.20 -8.52 2 0 1000.00 -999 ? >ARG~A 131 24.31 -6.42 -8.86 24.19 -9.09 -10.38 24.25 -7.75 -9.62 2 0 1000.00 -999 ? >GLU~A 132 19.13 -4.57 -11.72 19.25 -6.54 -12.50 19.19 -5.55 -12.11 2 0 1000.00 -999 ? >VAL~A 133 22.24 -1.13 -15.54 21.97 1.03 -15.70 22.10 -0.05 -15.62 3 0 1000.00 -999 ? >LEU~A 134 26.84 -2.20 -14.50 28.10 -0.50 -14.04 27.47 -1.35 -14.27 3 0 1000.00 -999 ? >LYS~A 135 24.67 -5.89 -15.87 21.09 -10.09 -12.80 22.88 -7.99 -14.34 2 0 1000.00 -999 ? >GLN~A 136 21.21 -4.14 -20.77 20.06 -5.90 -21.11 20.64 -5.02 -20.94 2 0 1000.00 -999 ? >LEU~A 137 26.68 -1.97 -19.68 28.21 -0.69 -20.53 27.44 -1.33 -20.10 3 0 1000.00 -999 ? >ASN~A 138 28.46 -6.88 -18.73 30.26 -8.01 -18.72 29.36 -7.44 -18.72 2 0 1000.00 -999 ? >GLN~A 140 23.92 -4.70 -24.33 22.54 -3.13 -23.91 23.23 -3.91 -24.12 2 0 1000.00 -999 ? >LEU.A 141 30.70 -5.45 -24.12 30.80 -3.28 -23.98 30.75 -4.36 -24.05 3 0 1000.00 -999 ? >HIS.A 142 29.43 -10.77 -25.64 27.57 -11.31 -26.43 28.50 -11.04 -26.03 3 0 1000.00 -999 ? >ARG.A 143 29.36 -13.20 -19.11 27.25 -13.61 -16.94 28.31 -13.40 -18.02 2 0 1000.00 -999 ? >PRO.A 144 34.76 -9.72 -17.28 34.80 -11.28 -18.89 34.78 -10.50 -18.08 3 0 1000.00 -999 ? >MET.B 9 38.34 -2.06 -29.72 36.98 -4.25 -31.26 37.66 -3.16 -30.49 2 0 1000.00 -999 ? >GLN.B 10 40.51 -5.57 -27.33 38.72 -6.37 -26.55 39.61 -5.97 -26.94 2 0 1000.00 -999 ? >MET.B 11 40.56 0.00 -24.43 37.42 2.63 -24.67 38.99 1.31 -24.55 2 0 1000.00 -999 ? >THR.B 12 42.26 -0.44 -21.09 44.38 -0.38 -20.76 43.32 -0.41 -20.92 2 0 1000.00 -999 ? >VAL.B 13 41.99 0.40 -17.37 42.08 -0.85 -15.58 42.04 -0.22 -16.47 3 0 1000.00 -999 ? >LYS.B 14 44.48 3.32 -17.22 49.33 1.95 -20.50 46.90 2.63 -18.86 2 0 1000.00 -999 ? >PRO.B 15 42.52 4.83 -20.71 42.54 5.44 -18.57 42.53 5.14 -19.64 3 0 1000.00 -999 ? >PHE.B 16 37.75 4.16 -17.47 36.60 3.89 -20.00 37.17 4.03 -18.73 3 0 1000.00 -999 ? >LEU.B 17 43.31 4.96 -13.40 44.71 4.41 -11.86 44.01 4.69 -12.63 3 0 1000.00 -999 ? >ILE^B 18 40.06 7.24 -9.31 38.91 7.95 -8.66 39.48 7.59 -8.98 3 0 1000.00 -999 ? >PRO^B 19 44.13 10.35 -9.23 44.17 8.14 -9.03 44.15 9.24 -9.13 3 0 1000.00 -999 ? >ALA.B 20 45.51 6.74 -5.18 46.68 5.81 -4.87 46.09 6.28 -5.02 2 0 1000.00 -999 ? >ASP~B 21 47.17 11.20 -4.12 46.63 12.10 -5.95 46.90 11.65 -5.03 2 0 1000.00 -999 ? >LYS~B 22 42.49 11.08 -4.25 42.78 13.68 -10.05 42.64 12.38 -7.15 2 0 1000.00 -999 ? >VAL~B 23 41.44 7.87 -2.49 41.05 6.03 -3.60 41.24 6.95 -3.04 3 0 1000.00 -999 ? >ALA.B 24 41.15 7.56 1.31 39.91 7.94 2.12 40.53 7.75 1.71 2 0 1000.00 -999 ? >HIS.B 25 45.20 4.85 2.41 47.00 5.76 2.99 46.10 5.31 2.70 3 0 1000.00 -999 ? >VAL.B 26 43.81 2.79 6.20 41.74 2.56 6.82 42.78 2.67 6.51 3 0 1000.00 -999 ? >GLN.B 27 48.14 2.40 7.55 49.75 3.32 8.59 48.94 2.86 8.07 2 0 1000.00 -999 ? >PRO.B 28 48.16 -3.51 7.78 46.28 -2.53 8.45 47.22 -3.02 8.12 3 0 1000.00 -999 ? >GLY.B 29 47.41 -1.84 12.12 46.79 -1.48 11.78 47.10 -1.66 11.95 1 0 1000.00 -999 ? >ASN.B 30 44.16 1.73 11.59 45.65 3.03 10.80 44.90 2.38 11.20 2 0 1000.00 -999 ? >TYR~B 31 42.93 0.52 17.54 44.90 -0.41 19.30 43.91 0.06 18.42 3 0 1000.00 -999 ? >LEU~B 32 37.50 -1.33 14.27 37.69 -3.36 13.56 37.60 -2.35 13.92 3 0 1000.00 -999 ? >ASP~B 33 37.13 3.30 17.02 39.09 3.64 17.72 38.11 3.47 17.37 2 0 1000.00 -999 ? >HIS~B 34 41.87 5.60 12.60 42.81 7.10 11.48 42.34 6.35 12.04 3 0 1000.00 -999 ? >ALA~B 35 38.64 3.06 10.15 38.73 1.57 9.89 38.68 2.31 10.02 2 0 1000.00 -999 ? >LEU~B 36 34.51 3.28 12.62 32.42 3.51 13.11 33.46 3.39 12.87 3 0 1000.00 -999 ? >LEU~B 37 36.82 7.93 12.48 37.16 10.02 12.94 36.99 8.98 12.71 3 0 1000.00 -999 ? >VAL~B 38 37.41 7.48 8.05 39.44 7.10 7.34 38.43 7.29 7.70 3 0 1000.00 -999 ? >LEU~B 39 34.10 4.25 6.53 34.57 2.44 5.47 34.34 3.35 6.00 3 0 1000.00 -999 ? >THR~B 40 32.13 8.13 7.81 31.28 8.21 9.80 31.70 8.17 8.81 2 0 1000.00 -999 ? >LYS.B 41 33.89 10.98 6.00 33.54 14.13 10.34 33.71 12.56 8.17 2 0 1000.00 -999 ? >THR.B 42 34.08 9.32 2.59 35.89 8.18 2.86 34.99 8.75 2.73 2 0 1000.00 -999 ? >GLY.B 43 31.38 8.62 0.01 32.09 8.23 0.02 31.74 8.42 0.02 1 0 1000.00 -999 ? >TYR.B 44 34.70 5.59 -2.21 35.53 6.67 -4.65 35.12 6.13 -3.43 3 0 1000.00 -999 ? >SER.B 45 31.32 1.70 0.10 32.27 0.26 -1.62 31.79 0.98 -0.76 2 0 1000.00 -999 ? >ALA.B 46 34.63 0.58 1.59 34.82 -0.92 1.41 34.73 -0.17 1.50 2 0 1000.00 -999 ? >ILE^B 47 38.63 2.80 2.69 38.38 3.58 3.86 38.50 3.19 3.27 3 0 1000.00 -999 ? >PRO^B 48 41.99 1.99 -0.52 40.95 0.46 0.69 41.47 1.22 0.08 3 0 1000.00 -999 ? >VAL^B 49 43.89 -1.19 3.35 43.33 -2.38 5.08 43.61 -1.78 4.21 3 0 1000.00 -999 ? >LEU^B 50 47.79 0.99 1.81 46.87 1.76 0.02 47.33 1.38 0.92 3 0 1000.00 -999 ? >ASP.B 51 51.46 -2.33 4.55 52.23 -2.54 2.59 51.85 -2.44 3.57 2 0 1000.00 -999 ? >THR.B 52 53.09 1.70 5.01 54.77 2.18 6.27 53.93 1.94 5.64 2 0 1000.00 -999 ? >SER.B 53 54.98 0.20 2.05 55.66 -1.87 3.14 55.32 -0.84 2.59 2 0 1000.00 -999 ? >TYR.B 54 51.35 3.44 -0.95 49.48 5.47 -1.36 50.42 4.46 -1.16 3 0 1000.00 -999 ? >LYS.B 55 50.86 -2.31 -0.81 56.59 -4.06 -2.86 53.73 -3.19 -1.83 2 0 1000.00 -999 ? >LEU^B 56 46.47 -3.53 -2.19 44.35 -3.30 -2.53 45.41 -3.41 -2.36 3 0 1000.00 -999 ? >HIS^B 57 48.17 -5.80 3.42 50.22 -6.16 3.68 49.19 -5.98 3.55 3 0 1000.00 -999 ? >GLY^B 58 42.48 -5.87 1.38 42.73 -5.09 1.47 42.61 -5.48 1.43 1 0 1000.00 -999 ? >LEU^B 59 38.30 -3.90 0.79 38.33 -2.97 -1.17 38.31 -3.43 -0.19 3 0 1000.00 -999 ? >ILE^B 60 38.27 -2.11 6.14 38.10 -2.07 6.96 38.18 -2.09 6.55 3 0 1000.00 -999 ? >SER~B 61 33.78 -1.74 5.28 32.53 -3.75 4.72 33.16 -2.75 5.00 2 0 1000.00 -999 ? >MET~B 62 31.38 -0.55 7.96 30.77 2.71 9.47 31.08 1.08 8.72 2 0 1000.00 -999 ? >THR~B 63 29.43 -3.76 7.40 28.04 -4.53 5.92 28.73 -4.14 6.66 2 0 1000.00 -999 ? >MET~B 64 32.51 -5.91 8.02 35.37 -6.02 5.01 33.94 -5.96 6.52 2 0 1000.00 -999 ? >MET~B 65 33.15 -4.06 11.28 35.25 -0.45 11.08 34.20 -2.26 11.18 2 0 1000.00 -999 ? >MET~B 66 29.58 -4.24 12.55 28.38 -1.47 13.62 28.98 -2.85 13.09 2 0 1000.00 -999 ? >ASP~B 67 29.42 -8.55 10.33 29.02 -10.62 10.33 29.22 -9.58 10.33 2 0 1000.00 -999 ? >ALA~B 68 32.53 -8.90 13.60 33.93 -8.37 13.29 33.23 -8.64 13.44 2 0 1000.00 -999 ? >ILE~B 69 31.29 -6.00 17.10 31.62 -4.66 16.79 31.46 -5.33 16.95 3 0 1000.00 -999 ? >LEU.B 70 26.61 -9.10 15.18 25.55 -7.78 13.83 26.08 -8.44 14.51 3 0 1000.00 -999 ? >GLY.B 71 26.80 -10.68 19.61 26.11 -10.43 19.23 26.46 -10.56 19.42 1 0 1000.00 -999 ? >LEU.B 72 24.32 -14.23 21.74 24.61 -16.20 20.92 24.47 -15.22 21.33 3 0 1000.00 -999 ? >GLU.B 73 23.38 -12.14 25.82 23.41 -12.13 27.93 23.40 -12.14 26.88 2 0 1000.00 -999 ? >ARG.B 74 26.00 -6.26 25.33 29.00 -5.64 25.39 27.50 -5.95 25.36 2 0 1000.00 -999 ? >ILE.B 75 25.72 -4.28 18.73 25.14 -3.78 17.53 25.43 -4.03 18.13 3 0 1000.00 -999 ? >GLU~B 76 29.60 -7.66 22.07 30.61 -9.52 22.20 30.11 -8.59 22.13 2 0 1000.00 -999 ? >PHE~B 77 28.52 -0.47 19.68 26.27 -0.43 18.01 27.40 -0.45 18.85 3 0 1000.00 -999 ? >GLU~B 78 33.27 -3.24 24.53 31.20 -3.63 24.37 32.23 -3.44 24.45 2 0 1000.00 -999 ? >ARG~B 79 34.23 -7.42 21.18 34.10 -9.69 19.14 34.16 -8.55 20.16 2 0 1000.00 -999 ? >LEU~B 80 34.97 -0.36 17.49 33.36 -0.98 16.20 34.17 -0.67 16.84 3 0 1000.00 -999 ? >GLU~B 81 38.01 0.54 22.61 37.05 1.66 24.13 37.53 1.10 23.37 2 0 1000.00 -999 ? >THR~B 82 40.60 -2.71 20.52 40.47 -4.04 22.22 40.54 -3.38 21.37 2 0 1000.00 -999 ? >MET.B 83 40.60 -4.75 17.31 37.03 -6.76 17.37 38.82 -5.75 17.34 2 0 1000.00 -999 ? >LYS~B 84 43.00 -3.73 14.55 45.69 -3.43 18.79 44.34 -3.58 16.67 2 0 1000.00 -999 ? >VAL~B 85 41.78 -3.37 10.94 41.72 -1.80 9.40 41.75 -2.59 10.17 3 0 1000.00 -999 ? >GLU~B 86 45.30 -6.76 11.82 47.29 -7.30 12.26 46.30 -7.03 12.04 2 0 1000.00 -999 ? >GLU~B 87 41.94 -8.78 14.57 41.73 -8.00 16.51 41.84 -8.39 15.54 2 0 1000.00 -999 ? >VAL~B 88 38.10 -8.03 9.86 37.15 -6.54 11.15 37.63 -7.28 10.50 3 0 1000.00 -999 ? >MET.B 89 39.32 -6.70 6.49 43.36 -5.84 5.92 41.34 -6.27 6.21 2 0 1000.00 -999 ? >ASN.B 90 37.32 -8.72 2.58 37.18 -10.17 1.03 37.25 -9.44 1.80 2 0 1000.00 -999 ? >ARG.B 91 43.95 -11.42 5.31 46.09 -9.81 6.81 45.02 -10.62 6.06 2 0 1000.00 -999 ? >ASN.B 92 39.24 -13.20 -0.33 38.83 -14.34 -2.08 39.04 -13.77 -1.20 2 0 1000.00 -999 ? >ILE.B 93 39.55 -7.67 -2.49 40.00 -6.73 -1.53 39.77 -7.20 -2.01 3 0 1000.00 -999 ? >PRO.B 94 37.58 -7.59 -6.72 39.42 -8.68 -6.13 38.50 -8.13 -6.43 3 0 1000.00 -999 ? >ARG^B 95 45.21 -7.59 -5.33 46.47 -7.64 -2.54 45.84 -7.62 -3.93 2 0 1000.00 -999 ? >LEU^B 96 42.66 -4.06 -11.95 40.75 -4.42 -12.89 41.71 -4.24 -12.42 3 0 1000.00 -999 ? >ARG^B 97 48.24 -7.34 -13.18 47.41 -10.11 -14.15 47.82 -8.72 -13.67 2 0 1000.00 -999 ? >LEU.B 98 48.16 0.30 -15.31 48.35 1.85 -13.81 48.25 1.08 -14.56 3 0 1000.00 -999 ? >ASP.B 99 48.62 -3.60 -18.80 49.23 -5.36 -17.81 48.93 -4.48 -18.30 2 0 1000.00 -999 ? >ASP.B 100 43.58 -5.76 -16.56 44.78 -7.17 -15.53 44.18 -6.47 -16.05 2 0 1000.00 -999 ? >SER~B 101 41.39 -5.20 -20.49 39.72 -6.00 -22.06 40.56 -5.60 -21.27 2 0 1000.00 -999 ? >LEU~B 102 38.16 -1.66 -21.03 36.82 -0.02 -20.64 37.49 -0.84 -20.84 3 0 1000.00 -999 ? >MET~B 103 36.08 -5.71 -20.74 35.23 -8.67 -23.55 35.66 -7.19 -22.14 2 0 1000.00 -999 ? >LYS~B 104 37.49 -7.58 -17.76 42.96 -9.14 -14.97 40.22 -8.36 -16.36 2 0 1000.00 -999 ? >ALA~B 105 37.19 -4.44 -15.65 37.88 -3.13 -15.98 37.53 -3.78 -15.81 2 0 1000.00 -999 ? >VAL~B 106 33.53 -3.86 -16.53 32.53 -2.88 -18.20 33.03 -3.37 -17.36 3 0 1000.00 -999 ? >GLY~B 107 32.69 -7.45 -15.69 33.06 -6.86 -15.21 32.87 -7.15 -15.45 1 0 1000.00 -999 ? >LEU~B 108 35.74 -6.72 -12.01 37.32 -8.15 -11.64 36.53 -7.43 -11.82 3 0 1000.00 -999 ? >ILE~B 109 32.89 -2.30 -11.72 32.91 -1.90 -12.46 32.90 -2.10 -12.09 3 0 1000.00 -999 ? >VAL~B 110 29.10 -5.28 -12.08 28.13 -6.36 -13.69 28.62 -5.82 -12.89 3 0 1000.00 -999 ? >ASN~B 111 30.17 -8.52 -8.75 28.85 -10.02 -9.49 29.51 -9.27 -9.12 2 0 1000.00 -999 ? >HIS~B 112 33.67 -6.31 -6.89 34.04 -8.28 -6.27 33.85 -7.29 -6.58 3 0 1000.00 -999 ? >PRO.B 113 31.31 -1.35 -4.32 31.28 -1.51 -6.55 31.30 -1.43 -5.43 3 0 1000.00 -999 ? >PHE^B 114 35.90 0.79 -5.16 36.96 0.49 -2.57 36.43 0.64 -3.86 3 0 1000.00 -999 ? >VAL^B 115 38.07 -2.38 -7.82 37.86 -4.15 -9.07 37.96 -3.26 -8.45 3 0 1000.00 -999 ? >CYH^B 116 41.62 -1.76 -6.63 41.26 -1.83 -3.85 41.44 -1.80 -5.24 2 0 1000.00 -999 ? >VAL^B 117 44.45 -1.17 -9.11 43.89 -0.19 -10.97 44.17 -0.68 -10.04 3 0 1000.00 -999 ? >GLU^B 118 47.80 -3.78 -6.65 48.51 -5.65 -5.96 48.15 -4.71 -6.31 2 0 1000.00 -999 ? >ASN.B 119 51.54 0.65 -10.87 52.83 0.79 -9.21 52.18 0.72 -10.04 2 0 1000.00 -999 ? >ASP.B 120 53.95 -3.06 -13.70 52.62 -2.92 -15.33 53.28 -2.99 -14.51 2 0 1000.00 -999 ? >ASP.B 121 55.83 -1.01 -8.85 57.04 -0.03 -10.25 56.44 -0.52 -9.55 2 0 1000.00 -999 ? >GLY.B 122 52.80 -4.03 -7.10 52.92 -3.19 -7.11 52.86 -3.61 -7.11 1 0 1000.00 -999 ? >TYR.B 123 54.16 0.41 -4.97 56.69 0.28 -3.79 55.43 0.35 -4.38 3 0 1000.00 -999 ? >PHE^B 124 46.31 1.48 -3.78 43.73 2.51 -4.11 45.02 1.99 -3.94 3 0 1000.00 -999 ? >ALA^B 125 47.74 3.13 -7.74 48.32 2.72 -9.09 48.03 2.93 -8.41 2 0 1000.00 -999 ? >GLY^B 126 44.07 4.01 -7.42 44.15 3.19 -7.38 44.11 3.60 -7.40 1 0 1000.00 -999 ? >ILE^B 127 39.67 2.78 -6.80 39.30 3.52 -5.59 39.48 3.15 -6.20 3 0 1000.00 -999 ? >PHE^B 128 37.95 0.14 -13.02 36.44 0.03 -15.37 37.20 0.08 -14.20 3 0 1000.00 -999 ? >THR^B 129 34.92 2.56 -10.14 35.35 4.48 -9.27 35.13 3.52 -9.70 2 0 1000.00 -999 ? >ARG~B 130 29.03 -0.22 -9.33 27.67 -2.50 -7.82 28.35 -1.36 -8.57 2 0 1000.00 -999 ? >ARG~B 131 30.35 9.14 -9.20 31.40 11.87 -10.11 30.88 10.50 -9.66 2 0 1000.00 -999 ? >GLU~B 132 35.47 7.40 -12.25 35.40 9.42 -12.89 35.44 8.41 -12.57 2 0 1000.00 -999 ? >VAL~B 133 32.31 3.96 -16.16 32.65 1.82 -16.43 32.48 2.89 -16.30 3 0 1000.00 -999 ? >LEU~B 134 27.89 5.06 -14.62 26.90 3.31 -13.83 27.40 4.19 -14.23 3 0 1000.00 -999 ? >LYS~B 135 29.94 8.76 -16.33 31.69 11.42 -12.73 30.82 10.09 -14.53 2 0 1000.00 -999 ? >GLN~B 136 33.13 6.48 -21.17 33.86 8.26 -22.09 33.49 7.37 -21.63 2 0 1000.00 -999 ? >LEU~B 137 27.89 4.52 -20.06 26.08 3.47 -20.62 26.99 3.99 -20.34 3 0 1000.00 -999 ? >ASN~B 138 26.02 9.33 -18.63 24.49 10.82 -18.66 25.25 10.07 -18.64 2 0 1000.00 -999 ? >GLN~B 140 30.18 6.32 -24.78 30.75 4.27 -24.71 30.47 5.30 -24.75 2 0 1000.00 -999 ? >LEU.B 141 23.62 8.09 -23.95 23.34 5.95 -23.74 23.48 7.02 -23.85 3 0 1000.00 -999 ?