REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 12-NOV-09 3AA9 COMPND DIVALENT-CATION TOLERANCE PROTEIN CUTA; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: C-TYPE CYTOCHROME BIOGENESIS PROTEIN CYCY; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: CUTA1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR Y.MATSUURA,T.TANAKA,B.BAGAUTDINOV,N.KUNISHIMA,K.YUTANI >THR.A 9 -0.50 -17.43 -27.74 -0.60 -17.36 -29.90 -0.55 -17.40 -28.82 2 0 1000.00 -999 ? >ALA.A 10 0.41 -15.04 -24.92 0.30 -15.35 -23.43 0.35 -15.19 -24.18 2 0 1000.00 -999 ? >SER^A 11 3.30 -12.72 -25.70 4.36 -10.86 -26.84 3.83 -11.79 -26.27 2 0 1000.00 -999 ? >VAL^A 12 6.39 -12.21 -23.50 6.54 -14.37 -22.96 6.47 -13.29 -23.23 3 0 1000.00 -999 ? >VAL^A 13 9.70 -10.38 -23.41 9.22 -8.37 -22.69 9.46 -9.37 -23.05 3 0 1000.00 -999 ? >VAL^A 14 12.94 -12.12 -22.63 13.32 -14.19 -23.21 13.13 -13.16 -22.92 3 0 1000.00 -999 ? >LEU^A 15 15.74 -9.72 -19.55 14.62 -7.93 -19.12 15.18 -8.82 -19.33 3 0 1000.00 -999 ? >CYH^A 16 19.31 -11.75 -21.68 20.95 -13.62 -23.05 20.13 -12.69 -22.36 2 0 1000.00 -999 ? >THR^A 17 22.68 -10.29 -20.73 23.27 -9.54 -18.79 22.98 -9.92 -19.76 2 0 1000.00 -999 ? >ALA^A 18 25.43 -10.60 -23.36 25.14 -10.34 -24.82 25.29 -10.47 -24.09 2 0 1000.00 -999 ? >PRO.A 19 29.58 -11.98 -23.68 28.50 -10.22 -22.83 29.04 -11.10 -23.26 3 0 1000.00 -999 ? >ASP~A 20 31.16 -8.25 -26.32 31.25 -10.20 -27.13 31.20 -9.22 -26.72 2 0 1000.00 -999 ? >GLU~A 21 27.20 -4.39 -29.88 27.53 -2.32 -30.01 27.36 -3.36 -29.94 2 0 1000.00 -999 ? >ALA~A 22 29.38 -9.19 -31.38 30.83 -9.59 -31.63 30.10 -9.39 -31.50 2 0 1000.00 -999 ? >THR~A 23 27.98 -11.90 -29.10 28.73 -12.98 -27.38 28.35 -12.44 -28.24 2 0 1000.00 -999 ? >ALA~A 24 24.65 -10.11 -28.67 24.45 -8.70 -28.10 24.55 -9.40 -28.38 2 0 1000.00 -999 ? >GLN~A 25 25.28 -7.47 -32.88 26.32 -6.25 -34.29 25.80 -6.86 -33.59 2 0 1000.00 -999 ? >ASP~A 26 26.46 -14.14 -32.81 28.07 -13.50 -34.03 27.27 -13.82 -33.42 2 0 1000.00 -999 ? >LEU~A 27 22.64 -14.28 -28.99 23.72 -15.33 -27.44 23.18 -14.80 -28.22 3 0 1000.00 -999 ? >ALA~A 28 19.99 -12.30 -31.88 20.07 -10.77 -31.94 20.03 -11.53 -31.91 2 0 1000.00 -999 ? >ALA~A 29 20.57 -13.19 -35.54 21.85 -12.91 -36.29 21.21 -13.05 -35.92 2 0 1000.00 -999 ? >LYS~A 30 20.45 -16.87 -34.55 21.95 -21.74 -36.11 21.20 -19.30 -35.33 2 0 1000.00 -999 ? >VAL~A 31 17.24 -16.97 -32.50 17.49 -15.96 -30.58 17.37 -16.47 -31.54 3 0 1000.00 -999 ? >LEU~A 32 16.04 -13.41 -35.58 15.53 -11.55 -34.60 15.78 -12.48 -35.09 3 0 1000.00 -999 ? >ALA~A 33 16.62 -17.21 -37.94 18.06 -17.55 -38.32 17.34 -17.38 -38.13 2 0 1000.00 -999 ? >GLU~A 34 17.39 -20.94 -34.53 17.76 -22.87 -35.29 17.58 -21.91 -34.91 2 0 1000.00 -999 ? >LYS.A 35 12.11 -18.18 -35.55 8.48 -18.88 -40.29 10.29 -18.53 -37.92 2 0 1000.00 -999 ? >LEU.A 36 13.32 -19.30 -31.06 13.47 -21.46 -31.06 13.39 -20.38 -31.06 3 0 1000.00 -999 ? >ALA.A 37 12.05 -14.79 -31.33 13.31 -14.19 -30.70 12.68 -14.49 -31.02 2 0 1000.00 -999 ? >ALA.A 38 10.25 -12.18 -33.46 8.81 -11.78 -33.22 9.53 -11.98 -33.34 2 0 1000.00 -999 ? >CYH^A 39 12.54 -9.28 -32.55 12.55 -6.48 -32.38 12.55 -7.88 -32.46 2 0 1000.00 -999 ? >ALA^A 40 15.61 -8.48 -30.49 16.76 -9.47 -30.68 16.19 -8.98 -30.58 2 0 1000.00 -999 ? >THR^A 41 16.59 -5.10 -29.08 15.29 -3.44 -28.63 15.94 -4.27 -28.86 2 0 1000.00 -999 ? >LEU^A 42 21.33 -5.28 -28.98 21.50 -7.24 -29.88 21.42 -6.26 -29.43 3 0 1000.00 -999 ? >ILE^A 43 20.25 -1.63 -24.50 19.15 -0.81 -24.01 19.70 -1.22 -24.26 3 0 1000.00 -999 ? >PRO^A 44 24.88 -0.27 -27.31 24.30 -1.51 -25.54 24.59 -0.89 -26.42 3 0 1000.00 -999 ? >GLY^A 45 26.78 0.82 -22.90 26.36 0.19 -22.68 26.57 0.50 -22.79 1 0 1000.00 -999 ? >ALA^A 46 25.70 -0.97 -19.73 24.41 -1.76 -19.82 25.06 -1.36 -19.77 2 0 1000.00 -999 ? >THR^A 47 27.35 -2.73 -16.81 28.35 -1.02 -15.94 27.85 -1.87 -16.37 2 0 1000.00 -999 ? >SER^A 48 26.36 -5.56 -14.53 25.53 -7.84 -14.37 25.94 -6.70 -14.45 2 0 1000.00 -999 ? >LEU^A 49 27.08 -4.55 -9.96 27.29 -2.44 -10.44 27.19 -3.49 -10.20 3 0 1000.00 -999 ? >TYR^A 50 27.47 -10.38 -10.98 29.35 -11.01 -12.96 28.41 -10.70 -11.97 3 0 1000.00 -999 ? >TYR^A 51 28.72 -10.18 -4.10 29.16 -7.95 -2.48 28.94 -9.06 -3.29 3 0 1000.00 -999 ? >TRP^A 52 32.87 -15.90 -9.91 29.50 -17.36 -11.31 31.18 -16.63 -10.61 3 0 1000.00 -999 ? >GLU.A 53 34.30 -17.74 -6.78 36.17 -18.19 -7.64 35.23 -17.96 -7.21 2 0 1000.00 -999 ? >GLY.A 54 32.53 -13.50 -2.51 32.70 -13.30 -3.24 32.62 -13.40 -2.87 1 0 1000.00 -999 ? >LYS^A 55 33.92 -10.70 -4.68 37.47 -7.81 -7.73 35.69 -9.26 -6.21 2 0 1000.00 -999 ? >LEU^A 56 31.76 -6.44 -5.47 30.18 -5.05 -5.95 30.97 -5.74 -5.71 3 0 1000.00 -999 ? >GLU^A 57 32.84 -10.43 -10.10 34.94 -10.29 -10.19 33.89 -10.36 -10.15 2 0 1000.00 -999 ? >GLN^A 58 30.77 -2.70 -12.67 30.57 -0.81 -11.72 30.67 -1.75 -12.20 2 0 1000.00 -999 ? >GLU^A 59 32.47 -8.19 -15.74 32.00 -10.22 -15.46 32.23 -9.20 -15.60 2 0 1000.00 -999 ? >TYR^A 60 30.65 -3.26 -21.69 29.34 -2.34 -23.99 30.00 -2.80 -22.84 3 0 1000.00 -999 ? >VAL^A 61 27.32 -5.89 -20.86 26.42 -6.44 -18.93 26.87 -6.16 -19.89 3 0 1000.00 -999 ? >VAL^A 62 24.77 -5.53 -23.60 25.19 -5.54 -25.74 24.98 -5.53 -24.67 3 0 1000.00 -999 ? >GLN^A 63 19.03 -5.06 -21.17 18.94 -6.67 -19.76 18.98 -5.87 -20.47 2 0 1000.00 -999 ? >MET^A 64 19.07 -7.88 -24.79 21.46 -11.00 -26.26 20.26 -9.44 -25.53 2 0 1000.00 -999 ? >ILE^A 65 14.59 -6.27 -24.85 14.36 -6.11 -23.44 14.47 -6.19 -24.15 3 0 1000.00 -999 ? >LEU^A 66 14.35 -11.73 -27.23 16.41 -12.32 -27.21 15.38 -12.02 -27.22 3 0 1000.00 -999 ? >LYS^A 67 10.05 -10.66 -28.07 12.37 -6.07 -28.67 11.21 -8.37 -28.37 2 0 1000.00 -999 ? >THR^A 68 8.31 -14.03 -28.32 9.18 -15.92 -27.66 8.75 -14.98 -27.99 2 0 1000.00 -999 ? >THR^A 69 5.31 -16.02 -27.03 4.42 -16.67 -28.90 4.86 -16.34 -27.97 2 0 1000.00 -999 ? >VAL~A 70 4.76 -18.47 -24.16 3.39 -18.62 -22.46 4.08 -18.54 -23.31 3 0 1000.00 -999 ? >SER~A 71 4.79 -21.39 -26.61 2.57 -21.53 -27.58 3.68 -21.46 -27.10 2 0 1000.00 -999 ? >HIS~A 72 7.74 -20.19 -30.11 6.76 -20.91 -31.83 7.25 -20.55 -30.97 3 0 1000.00 -999 ? >GLN~A 73 8.28 -19.76 -22.49 7.19 -19.00 -20.83 7.74 -19.38 -21.66 2 0 1000.00 -999 ? >GLN~A 74 11.44 -24.88 -22.44 12.85 -24.18 -20.99 12.14 -24.53 -21.72 2 0 1000.00 -999 ? >ALA~A 75 12.86 -23.30 -26.73 12.07 -23.64 -28.00 12.47 -23.47 -27.37 2 0 1000.00 -999 ? >LEU~A 76 13.27 -18.42 -26.97 14.02 -16.43 -27.47 13.64 -17.43 -27.22 3 0 1000.00 -999 ? >LEU~A 77 15.17 -20.12 -22.32 14.01 -18.55 -21.37 14.59 -19.34 -21.85 3 0 1000.00 -999 ? >GLU~A 78 15.83 -25.26 -23.93 14.46 -26.69 -24.69 15.15 -25.98 -24.31 2 0 1000.00 -999 ? >CYH~A 79 18.76 -21.93 -27.83 18.90 -21.10 -30.51 18.83 -21.51 -29.17 2 0 1000.00 -999 ? >LEU~A 80 19.29 -17.73 -25.46 18.41 -15.94 -26.27 18.85 -16.84 -25.87 3 0 1000.00 -999 ? >LYS~A 81 21.64 -20.82 -23.39 22.76 -22.80 -18.82 22.20 -21.81 -21.11 2 0 1000.00 -999 ? >SER~A 82 23.44 -23.20 -25.77 21.85 -24.96 -26.30 22.64 -24.08 -26.04 2 0 1000.00 -999 ? >HIS~A 83 23.94 -21.02 -30.04 23.05 -22.58 -31.13 23.49 -21.80 -30.59 3 0 1000.00 -999 ? >HIS~A 84 25.02 -16.59 -23.14 25.25 -14.65 -22.37 25.14 -15.62 -22.76 3 0 1000.00 -999 ? >PRO.A 85 29.30 -15.83 -24.44 28.75 -17.98 -24.22 29.02 -16.91 -24.33 3 0 1000.00 -999 ? >TYR.A 86 28.28 -15.66 -19.50 29.48 -13.14 -19.38 28.88 -14.40 -19.44 3 0 1000.00 -999 ? >GLN.A 87 27.73 -23.00 -16.41 27.95 -24.76 -17.59 27.84 -23.88 -17.00 2 0 1000.00 -999 ? >THR.A 88 24.43 -19.89 -16.83 24.66 -20.86 -14.91 24.54 -20.38 -15.87 2 0 1000.00 -999 ? >PRO.A 89 23.22 -17.57 -20.34 23.77 -17.17 -18.22 23.49 -17.37 -19.28 3 0 1000.00 -999 ? >GLU.A 90 19.36 -12.29 -16.56 19.45 -10.43 -15.57 19.41 -11.36 -16.07 2 0 1000.00 -999 ? >LEU^A 91 17.71 -17.05 -19.47 18.77 -17.54 -21.29 18.24 -17.30 -20.38 3 0 1000.00 -999 ? >LEU^A 92 14.56 -12.95 -16.63 15.61 -13.06 -14.72 15.09 -13.01 -15.67 3 0 1000.00 -999 ? >VAL^A 93 10.83 -14.09 -19.04 10.14 -15.79 -20.20 10.49 -14.94 -19.62 3 0 1000.00 -999 ? >LEU^A 94 8.92 -9.83 -18.22 10.73 -9.18 -17.26 9.83 -9.50 -17.74 3 0 1000.00 -999 ? >PRO^A 95 4.25 -11.00 -16.98 5.31 -11.32 -18.91 4.78 -11.16 -17.94 3 0 1000.00 -999 ? >VAL.A 96 3.12 -9.01 -21.82 3.89 -8.45 -23.78 3.50 -8.73 -22.80 3 0 1000.00 -999 ? >THR.A 97 -0.42 -8.35 -20.55 -0.20 -7.48 -18.58 -0.31 -7.91 -19.56 2 0 1000.00 -999 ? >HIS^A 98 -3.30 -4.64 -23.83 -4.87 -3.89 -24.99 -4.08 -4.26 -24.41 3 0 1000.00 -999 ? >GLY^A 99 -0.06 -4.67 -26.74 -0.90 -4.81 -26.84 -0.48 -4.74 -26.79 1 0 1000.00 -999 ? >ASP~A 100 -0.17 -2.25 -30.94 -1.00 -1.85 -32.83 -0.59 -2.05 -31.89 2 0 1000.00 -999 ? >THR~A 101 -3.04 -5.74 -32.16 -5.15 -6.10 -32.46 -4.09 -5.92 -32.31 2 0 1000.00 -999 ? >ASP~A 102 -0.94 -3.92 -36.18 -2.80 -3.27 -36.91 -1.87 -3.60 -36.55 2 0 1000.00 -999 ? >TYR~A 103 4.29 -5.05 -32.13 6.91 -5.82 -31.54 5.60 -5.43 -31.84 3 0 1000.00 -999 ? >LEU~A 104 0.02 -8.74 -30.70 0.09 -7.70 -28.80 0.06 -8.22 -29.75 3 0 1000.00 -999 ? >SER~A 105 -0.26 -10.23 -34.89 -0.98 -8.45 -36.39 -0.62 -9.34 -35.64 2 0 1000.00 -999 ? >TRP~A 106 5.39 -8.37 -38.71 8.30 -8.07 -36.08 6.85 -8.22 -37.39 3 0 1000.00 -999 ? >LEU~A 107 4.89 -10.39 -32.22 5.64 -11.13 -30.33 5.27 -10.76 -31.28 3 0 1000.00 -999 ? >ASN~A 108 1.48 -14.16 -33.28 1.06 -13.37 -31.35 1.27 -13.77 -32.32 2 0 1000.00 -999 ? >ALA~A 109 3.15 -14.48 -37.37 2.51 -13.52 -38.36 2.83 -14.00 -37.87 2 0 1000.00 -999 ? >SER~A 110 6.95 -14.25 -37.19 7.32 -11.85 -37.35 7.13 -13.05 -37.27 2 0 1000.00 -999 ? >LEU~A 111 6.75 -17.36 -33.55 7.48 -16.16 -31.91 7.11 -16.76 -32.73 3 0 1000.00 -999 ? >ARG.A 112 10.08 -23.89 -34.49 13.02 -24.04 -33.64 11.55 -23.96 -34.07 2 0 1000.00 -999 ? >THR.B 9 10.64 -18.39 -4.61 11.34 -16.65 -3.51 10.99 -17.52 -4.06 2 0 1000.00 -999 ? >ALA.B 10 9.52 -16.50 -7.73 8.06 -16.15 -8.04 8.79 -16.32 -7.88 2 0 1000.00 -999 ? >SER^B 11 11.84 -13.88 -9.19 13.87 -15.14 -9.55 12.85 -14.51 -9.37 2 0 1000.00 -999 ? >VAL^B 12 11.09 -10.28 -10.12 10.13 -9.82 -8.23 10.61 -10.05 -9.18 3 0 1000.00 -999 ? >VAL^B 13 12.85 -7.42 -11.88 13.61 -7.48 -13.91 13.23 -7.45 -12.89 3 0 1000.00 -999 ? >VAL^B 14 12.99 -3.99 -10.27 12.86 -3.75 -8.10 12.93 -3.87 -9.18 3 0 1000.00 -999 ? >LEU^B 15 12.23 -0.28 -13.20 12.01 -1.18 -15.14 12.12 -0.73 -14.17 3 0 1000.00 -999 ? >CYH^B 16 14.77 2.33 -10.40 15.88 3.32 -8.01 15.33 2.82 -9.20 2 0 1000.00 -999 ? >THR^B 17 15.94 5.65 -11.87 14.69 6.75 -13.25 15.31 6.20 -12.56 2 0 1000.00 -999 ? >ALA^B 18 19.05 7.31 -10.46 20.28 6.47 -10.21 19.67 6.89 -10.33 2 0 1000.00 -999 ? >PRO.B 19 20.66 10.86 -8.61 19.96 10.31 -10.66 20.31 10.59 -9.63 3 0 1000.00 -999 ? >ASP~B 20 24.66 11.21 -11.43 24.75 11.36 -9.34 24.70 11.29 -10.38 2 0 1000.00 -999 ? >GLU~B 21 28.54 6.24 -12.90 30.06 6.20 -14.36 29.30 6.22 -13.63 2 0 1000.00 -999 ? >ALA~B 22 27.82 7.77 -8.59 28.37 9.07 -7.99 28.10 8.42 -8.29 2 0 1000.00 -999 ? >THR~B 23 24.32 7.40 -7.12 22.76 8.82 -6.72 23.54 8.11 -6.92 2 0 1000.00 -999 ? >ALA~B 24 23.38 4.45 -9.34 23.39 4.47 -10.87 23.39 4.46 -10.10 2 0 1000.00 -999 ? >GLN~B 25 29.28 2.66 -8.61 29.22 1.02 -9.96 29.25 1.84 -9.29 2 0 1000.00 -999 ? >ASP~B 26 26.00 4.93 -4.02 25.80 4.78 -1.92 25.90 4.86 -2.97 2 0 1000.00 -999 ? >LEU~B 27 21.39 2.68 -5.35 20.16 4.33 -4.70 20.77 3.50 -5.02 3 0 1000.00 -999 ? >ALA~B 28 23.63 -1.04 -6.38 24.20 -1.09 -7.80 23.91 -1.07 -7.09 2 0 1000.00 -999 ? >ALA~B 29 26.68 -1.89 -4.28 27.95 -1.05 -4.14 27.31 -1.47 -4.21 2 0 1000.00 -999 ? >LYS~B 30 24.48 -1.14 -1.29 24.71 3.17 0.77 24.60 1.01 -0.26 2 0 1000.00 -999 ? >VAL~B 31 21.58 -3.51 -2.09 20.30 -2.58 -3.61 20.94 -3.04 -2.85 3 0 1000.00 -999 ? >LEU~B 32 24.99 -6.09 -4.42 24.59 -6.47 -6.50 24.79 -6.28 -5.46 3 0 1000.00 -999 ? >ALA~B 33 26.06 -6.00 -0.08 26.79 -4.75 0.41 26.43 -5.37 0.17 2 0 1000.00 -999 ? >GLU~B 34 22.28 -3.86 2.74 22.71 -4.20 4.78 22.49 -4.03 3.76 2 0 1000.00 -999 ? >LYS.B 35 21.90 -9.24 -0.22 27.13 -9.92 0.57 24.52 -9.58 0.17 2 0 1000.00 -999 ? >LEU.B 36 18.17 -6.28 -0.71 17.50 -5.83 1.29 17.83 -6.05 0.29 3 0 1000.00 -999 ? >ALA.B 37 19.27 -8.25 -4.90 19.34 -6.90 -5.62 19.31 -7.58 -5.26 2 0 1000.00 -999 ? >ALA.B 38 21.27 -10.88 -6.81 20.64 -12.10 -7.49 20.96 -11.49 -7.15 2 0 1000.00 -999 ? >CYH^B 39 22.50 -8.50 -9.51 21.50 -9.96 -11.73 22.00 -9.23 -10.62 2 0 1000.00 -999 ? >ALA^B 40 21.90 -5.02 -10.90 22.08 -3.98 -9.81 21.99 -4.50 -10.35 2 0 1000.00 -999 ? >THR^B 41 22.29 -3.63 -14.40 22.05 -4.69 -16.27 22.17 -4.16 -15.33 2 0 1000.00 -999 ? >LEU^B 42 24.14 0.67 -14.05 24.21 0.53 -11.89 24.17 0.60 -12.97 3 0 1000.00 -999 ? >ILE^B 43 21.19 1.38 -19.00 20.65 0.48 -20.00 20.92 0.93 -19.50 3 0 1000.00 -999 ? >PRO^B 44 25.42 4.61 -17.07 23.53 4.82 -18.23 24.47 4.72 -17.65 3 0 1000.00 -999 ? >GLY^B 45 22.91 8.03 -21.03 22.32 7.76 -20.55 22.62 7.89 -20.79 1 0 1000.00 -999 ? >ALA^B 46 19.16 7.75 -20.52 18.53 6.71 -19.60 18.84 7.23 -20.06 2 0 1000.00 -999 ? >THR^B 47 16.68 10.62 -20.59 16.68 12.30 -21.97 16.68 11.46 -21.28 2 0 1000.00 -999 ? >SER^B 48 13.67 10.89 -18.31 12.48 10.65 -16.21 13.07 10.77 -17.26 2 0 1000.00 -999 ? >LEU^B 49 10.48 13.35 -20.78 11.62 13.11 -22.60 11.05 13.23 -21.69 3 0 1000.00 -999 ? >TYR^B 50 9.29 14.19 -15.04 11.44 15.40 -13.72 10.36 14.80 -14.38 3 0 1000.00 -999 ? >TYR^B 51 3.98 17.80 -18.14 3.67 18.72 -20.77 3.83 18.26 -19.46 3 0 1000.00 -999 ? >TRP^B 52 8.40 20.33 -10.49 6.04 18.21 -8.16 7.22 19.27 -9.32 3 0 1000.00 -999 ? >GLU.B 53 6.63 23.28 -10.81 5.58 23.56 -8.99 6.11 23.42 -9.90 2 0 1000.00 -999 ? >GLY.B 54 2.76 22.24 -15.59 3.54 22.18 -15.57 3.15 22.21 -15.58 1 0 1000.00 -999 ? >LYS^B 55 5.91 22.23 -17.74 7.26 28.21 -16.21 6.59 25.22 -16.98 2 0 1000.00 -999 ? >LEU^B 56 7.86 19.28 -21.05 8.12 17.38 -22.05 7.99 18.33 -21.55 3 0 1000.00 -999 ? >GLU^B 57 10.30 19.23 -15.22 11.57 20.91 -15.16 10.93 20.07 -15.19 2 0 1000.00 -999 ? >GLN^B 58 14.66 15.95 -21.49 14.79 16.56 -23.53 14.73 16.26 -22.51 2 0 1000.00 -999 ? >GLU^B 59 17.40 15.45 -14.63 17.21 17.51 -14.17 17.31 16.48 -14.40 2 0 1000.00 -999 ? >TYR^B 60 21.21 13.97 -19.43 21.34 15.20 -21.93 21.27 14.58 -20.68 3 0 1000.00 -999 ? >VAL^B 61 19.33 9.65 -15.72 17.13 9.54 -15.72 18.23 9.60 -15.72 3 0 1000.00 -999 ? >VAL^B 62 20.80 6.20 -15.18 22.79 5.76 -14.41 21.79 5.98 -14.79 3 0 1000.00 -999 ? >GLN^B 63 16.65 1.87 -16.94 14.94 2.46 -15.80 15.79 2.16 -16.37 2 0 1000.00 -999 ? >MET^B 64 18.68 0.61 -13.05 19.82 2.43 -9.45 19.25 1.52 -11.25 2 0 1000.00 -999 ? >ILE^B 65 17.47 -3.54 -14.76 16.87 -3.84 -16.08 17.17 -3.69 -15.42 3 0 1000.00 -999 ? >LEU^B 66 17.51 -4.49 -8.87 18.22 -2.54 -8.32 17.87 -3.51 -8.60 3 0 1000.00 -999 ? >LYS^B 67 16.94 -8.85 -10.01 19.83 -8.23 -13.89 18.38 -8.54 -11.95 2 0 1000.00 -999 ? >THR^B 68 15.64 -10.36 -6.77 14.81 -9.11 -5.15 15.22 -9.74 -5.96 2 0 1000.00 -999 ? >THR^B 69 12.88 -12.64 -5.43 13.94 -14.00 -4.13 13.41 -13.32 -4.78 2 0 1000.00 -999 ? >VAL.B 70 9.34 -11.68 -4.40 7.93 -13.20 -5.13 8.64 -12.44 -4.77 3 0 1000.00 -999 ? >SER.B 71 10.20 -12.15 -0.72 11.94 -13.84 -0.53 11.07 -12.99 -0.63 2 0 1000.00 -999 ? >HIS~B 72 14.95 -10.80 -1.00 15.93 -12.52 -0.28 15.44 -11.66 -0.64 3 0 1000.00 -999 ? >GLN~B 73 8.62 -7.64 -3.36 6.98 -7.80 -4.71 7.80 -7.72 -4.04 2 0 1000.00 -999 ? >GLN~B 74 8.22 -4.64 2.15 7.38 -5.55 3.90 7.80 -5.10 3.03 2 0 1000.00 -999 ? >ALA~B 75 13.14 -4.91 1.69 13.88 -6.13 2.21 13.51 -5.52 1.95 2 0 1000.00 -999 ? >LEU~B 76 14.91 -4.82 -2.86 16.23 -4.45 -4.54 15.57 -4.63 -3.70 3 0 1000.00 -999 ? >LEU~B 77 11.07 -1.25 -2.59 10.39 -2.03 -4.51 10.73 -1.64 -3.55 3 0 1000.00 -999 ? >GLU~B 78 11.09 -0.35 2.91 10.58 -1.52 4.61 10.84 -0.93 3.76 2 0 1000.00 -999 ? >CYH~B 79 16.72 0.05 1.05 19.33 -1.09 0.96 18.03 -0.52 1.00 2 0 1000.00 -999 ? >LEU~B 80 16.20 1.13 -3.65 17.06 -0.18 -5.15 16.63 0.48 -4.40 3 0 1000.00 -999 ? >LYS~B 81 14.33 4.37 -1.23 9.35 6.77 -1.10 11.84 5.57 -1.17 2 0 1000.00 -999 ? >SER~B 82 16.12 5.41 1.98 17.04 3.41 3.07 16.58 4.41 2.52 2 0 1000.00 -999 ? >HIS~B 83 20.86 3.54 1.30 21.58 2.62 3.04 21.22 3.08 2.17 3 0 1000.00 -999 ? >HIS~B 84 16.89 7.35 -4.87 16.84 7.84 -6.91 16.86 7.60 -5.89 3 0 1000.00 -999 ? >PRO.B 85 19.85 10.69 -4.81 18.83 10.34 -2.88 19.34 10.51 -3.85 3 0 1000.00 -999 ? >TYR.B 86 15.73 12.11 -7.01 16.87 13.47 -9.16 16.30 12.79 -8.08 3 0 1000.00 -999 ? >GLN.B 87 10.39 13.80 -1.61 10.78 13.39 0.45 10.58 13.59 -0.58 2 0 1000.00 -999 ? >THR.B 88 10.14 9.34 -3.89 8.02 9.75 -3.63 9.08 9.54 -3.76 2 0 1000.00 -999 ? >PRO.B 89 13.45 6.70 -4.76 12.07 7.98 -5.96 12.76 7.34 -5.36 3 0 1000.00 -999 ? >GLU.B 90 10.31 4.41 -11.45 10.28 4.58 -13.56 10.29 4.49 -12.51 2 0 1000.00 -999 ? >LEU^B 91 10.65 2.03 -6.16 12.41 2.42 -4.96 11.53 2.23 -5.56 3 0 1000.00 -999 ? >LEU^B 92 8.28 -0.08 -11.22 6.95 1.54 -11.74 7.61 0.73 -11.48 3 0 1000.00 -999 ? >VAL^B 93 8.45 -4.32 -9.61 8.66 -5.31 -7.68 8.56 -4.82 -8.64 3 0 1000.00 -999 ? >LEU^B 94 8.54 -6.18 -13.97 8.74 -4.15 -14.65 8.64 -5.16 -14.31 3 0 1000.00 -999 ? >PRO^B 95 4.97 -9.79 -13.29 7.01 -9.50 -12.45 5.99 -9.65 -12.87 3 0 1000.00 -999 ? >VAL.B 96 9.19 -12.94 -13.89 11.35 -13.15 -13.75 10.27 -13.05 -13.82 3 0 1000.00 -999 ? >THR.B 97 6.86 -15.67 -15.17 5.53 -14.72 -16.56 6.19 -15.19 -15.86 2 0 1000.00 -999 ? >HIS^B 98 9.74 -19.85 -18.04 10.85 -21.46 -18.79 10.30 -20.66 -18.42 3 0 1000.00 -999 ? >GLY^B 99 13.39 -18.31 -16.54 13.10 -19.09 -16.48 13.24 -18.70 -16.51 1 0 1000.00 -999 ? >ASP~B 100 17.71 -20.33 -17.51 19.00 -22.00 -17.38 18.36 -21.17 -17.45 2 0 1000.00 -999 ? >THR~B 101 16.30 -23.05 -13.98 15.46 -25.00 -13.64 15.88 -24.02 -13.81 2 0 1000.00 -999 ? >ASP~B 102 21.18 -23.29 -14.35 21.18 -25.38 -14.67 21.18 -24.33 -14.51 2 0 1000.00 -999 ? >TYR~B 103 20.01 -16.69 -14.34 20.56 -14.04 -13.63 20.29 -15.37 -13.98 3 0 1000.00 -999 ? >LEU~B 104 15.69 -19.48 -11.41 14.20 -18.34 -12.46 14.95 -18.91 -11.94 3 0 1000.00 -999 ? >SER~B 105 18.80 -21.33 -8.71 18.34 -23.60 -9.45 18.57 -22.47 -9.08 2 0 1000.00 -999 ? >TRP~B 106 24.85 -17.76 -9.10 23.76 -14.07 -9.91 24.31 -15.92 -9.50 3 0 1000.00 -999 ? >LEU~B 107 18.36 -15.62 -8.97 17.24 -13.79 -9.05 17.80 -14.70 -9.01 3 0 1000.00 -999 ? >ASN~B 108 16.98 -18.85 -5.17 15.09 -18.39 -6.03 16.04 -18.62 -5.60 2 0 1000.00 -999 ? >ALA~B 109 21.17 -19.08 -3.74 22.00 -20.16 -4.43 21.58 -19.62 -4.08 2 0 1000.00 -999 ? >SER~B 110 22.70 -15.60 -3.91 23.81 -15.61 -6.07 23.25 -15.61 -4.99 2 0 1000.00 -999 ? >LEU.B 111 18.84 -13.55 -2.21 18.65 -11.92 -3.61 18.75 -12.73 -2.91 3 0 1000.00 -999 ? >ASN.C 8 -3.20 3.72 -6.68 -2.25 5.38 -5.74 -2.72 4.55 -6.21 2 0 1000.00 -999 ? >THR.C 9 -5.28 2.42 -10.52 -6.29 3.06 -12.30 -5.78 2.74 -11.41 2 0 1000.00 -999 ? >ALA.C 10 -2.95 -0.49 -11.31 -3.38 -1.86 -11.79 -3.16 -1.17 -11.55 2 0 1000.00 -999 ? >SER^C 11 0.31 0.62 -12.91 0.98 2.39 -11.39 0.64 1.51 -12.15 2 0 1000.00 -999 ? >VAL^C 12 1.99 -0.75 -16.02 0.14 -0.90 -17.17 1.07 -0.83 -16.60 3 0 1000.00 -999 ? >VAL^C 13 5.13 -0.26 -18.08 7.16 -0.59 -17.34 6.14 -0.43 -17.71 3 0 1000.00 -999 ? >VAL^C 14 4.91 0.40 -21.81 3.12 1.31 -22.63 4.02 0.85 -22.22 3 0 1000.00 -999 ? >LEU^C 15 8.46 -1.85 -24.14 9.66 -2.78 -22.60 9.06 -2.31 -23.37 3 0 1000.00 -999 ? >CYH^C 16 8.11 1.33 -27.47 6.97 3.30 -29.20 7.54 2.32 -28.33 2 0 1000.00 -999 ? >THR^C 17 10.98 1.86 -29.90 11.54 -0.17 -30.40 11.26 0.84 -30.15 2 0 1000.00 -999 ? >ALA^C 18 11.55 4.93 -32.03 11.54 6.30 -31.38 11.55 5.62 -31.71 2 0 1000.00 -999 ? >PRO.C 19 11.90 6.14 -36.19 13.19 5.07 -34.71 12.55 5.61 -35.45 3 0 1000.00 -999 ? >ASP~C 20 15.57 9.11 -35.42 13.75 10.15 -35.68 14.66 9.63 -35.55 2 0 1000.00 -999 ? >GLU~C 21 18.18 10.00 -30.22 19.91 10.68 -29.23 19.05 10.34 -29.73 2 0 1000.00 -999 ? >ALA~C 22 13.80 13.40 -32.67 13.90 14.03 -34.06 13.85 13.71 -33.37 2 0 1000.00 -999 ? >THR~C 23 10.95 10.92 -33.06 10.39 9.51 -34.60 10.67 10.22 -33.83 2 0 1000.00 -999 ? >ALA~C 24 11.51 9.48 -29.57 12.80 8.85 -29.06 12.16 9.16 -29.31 2 0 1000.00 -999 ? >GLN~C 25 12.53 15.35 -27.87 12.87 15.13 -25.78 12.70 15.24 -26.82 2 0 1000.00 -999 ? >ASP~C 26 8.09 14.97 -30.91 8.23 13.79 -32.64 8.16 14.38 -31.78 2 0 1000.00 -999 ? >LEU~C 27 6.92 9.46 -29.45 6.40 8.33 -31.21 6.66 8.89 -30.33 3 0 1000.00 -999 ? >ALA~C 28 7.28 11.29 -25.39 8.68 11.27 -24.80 7.98 11.28 -25.09 2 0 1000.00 -999 ? >ALA~C 29 6.38 14.98 -25.30 6.99 16.08 -26.17 6.68 15.53 -25.73 2 0 1000.00 -999 ? >LYS~C 30 3.02 14.20 -26.91 3.84 13.67 -32.36 3.43 13.94 -29.64 2 0 1000.00 -999 ? >VAL~C 31 1.79 11.33 -24.75 3.05 9.54 -25.01 2.42 10.43 -24.88 3 0 1000.00 -999 ? >LEU~C 32 4.41 13.81 -21.49 5.92 12.67 -20.43 5.16 13.24 -20.96 3 0 1000.00 -999 ? >ALA~C 33 1.17 16.52 -22.85 1.39 17.25 -24.17 1.28 16.89 -23.51 2 0 1000.00 -999 ? >GLU~C 34 -2.43 14.64 -25.93 -2.49 13.54 -27.74 -2.46 14.09 -26.83 2 0 1000.00 -999 ? >LYS.C 35 -1.60 12.96 -19.94 -2.47 15.85 -15.66 -2.04 14.40 -17.80 2 0 1000.00 -999 ? >LEU.C 36 -1.59 9.11 -22.83 -3.38 9.38 -24.05 -2.48 9.24 -23.44 3 0 1000.00 -999 ? >ALA.C 37 1.62 8.58 -19.39 2.78 8.21 -20.34 2.20 8.39 -19.86 2 0 1000.00 -999 ? >ALA.C 38 3.11 9.88 -16.12 3.05 9.10 -14.81 3.08 9.49 -15.46 2 0 1000.00 -999 ? >CYH^C 39 6.75 9.83 -17.31 7.73 8.30 -15.10 7.24 9.07 -16.20 2 0 1000.00 -999 ? >ALA^C 40 8.95 8.34 -20.00 8.45 8.72 -21.40 8.70 8.53 -20.70 2 0 1000.00 -999 ? >THR^C 41 12.56 7.14 -20.07 13.64 6.21 -18.44 13.10 6.68 -19.25 2 0 1000.00 -999 ? >LEU^C 42 14.44 8.54 -24.17 12.62 9.62 -24.66 13.53 9.08 -24.41 3 0 1000.00 -999 ? >ILE^C 43 17.40 3.43 -23.37 17.93 3.48 -22.01 17.66 3.46 -22.69 3 0 1000.00 -999 ? >PRO^C 44 20.22 7.58 -25.84 19.04 5.78 -26.41 19.63 6.68 -26.13 3 0 1000.00 -999 ? >GLY^C 45 22.06 3.99 -28.99 21.37 3.66 -28.81 21.72 3.82 -28.90 1 0 1000.00 -999 ? >ALA^C 46 20.19 0.70 -29.19 18.87 0.46 -28.45 19.53 0.58 -28.82 2 0 1000.00 -999 ? >THR^C 47 19.77 -1.70 -32.09 21.47 -2.41 -33.22 20.62 -2.06 -32.66 2 0 1000.00 -999 ? >SER^C 48 16.76 -3.66 -33.21 14.37 -3.72 -33.00 15.56 -3.69 -33.10 2 0 1000.00 -999 ? >LEU^C 49 18.17 -7.84 -34.94 20.26 -7.60 -34.47 19.21 -7.72 -34.70 3 0 1000.00 -999 ? >TYR^C 50 12.89 -6.40 -37.08 12.95 -3.83 -38.21 12.92 -5.11 -37.65 3 0 1000.00 -999 ? >TYR^C 51 13.93 -12.51 -40.45 16.33 -13.91 -40.78 15.13 -13.21 -40.62 3 0 1000.00 -999 ? >TRP^C 52 10.19 -4.79 -43.97 7.03 -4.60 -41.62 8.61 -4.69 -42.79 3 0 1000.00 -999 ? >GLU.C 53 8.62 -7.26 -46.29 8.35 -5.90 -47.85 8.48 -6.58 -47.07 2 0 1000.00 -999 ? >GLY.C 54 11.94 -12.50 -45.44 12.17 -11.76 -45.25 12.05 -12.13 -45.34 1 0 1000.00 -999 ? >LYS^C 55 14.98 -10.28 -44.84 18.03 -5.45 -47.50 16.50 -7.86 -46.17 2 0 1000.00 -999 ? >LEU^C 56 18.24 -10.60 -41.24 18.99 -10.78 -39.20 18.61 -10.69 -40.22 3 0 1000.00 -999 ? >GLU^C 57 14.88 -5.28 -42.18 16.21 -4.76 -43.74 15.55 -5.02 -42.96 2 0 1000.00 -999 ? >GLN^C 58 21.25 -4.77 -36.99 23.09 -5.82 -37.01 22.17 -5.30 -37.00 2 0 1000.00 -999 ? >GLU^C 59 15.80 -0.75 -37.24 14.04 0.06 -38.04 14.92 -0.34 -37.64 2 0 1000.00 -999 ? >TYR^C 60 19.78 4.30 -33.97 19.94 5.97 -31.73 19.86 5.14 -32.85 3 0 1000.00 -999 ? >VAL^C 61 16.38 2.46 -32.19 15.66 0.38 -32.16 16.02 1.42 -32.18 3 0 1000.00 -999 ? >VAL^C 62 15.71 4.44 -29.07 15.69 6.58 -28.71 15.70 5.51 -28.89 3 0 1000.00 -999 ? >GLN^C 63 14.06 0.31 -24.72 12.67 -0.88 -25.82 13.36 -0.28 -25.27 2 0 1000.00 -999 ? >MET^C 64 11.35 3.95 -24.72 9.48 6.32 -27.55 10.42 5.13 -26.14 2 0 1000.00 -999 ? >ILE^C 65 10.93 2.62 -20.29 11.70 1.64 -19.57 11.32 2.13 -19.93 3 0 1000.00 -999 ? >LEU^C 66 5.70 5.24 -21.46 5.98 5.70 -23.55 5.84 5.47 -22.50 3 0 1000.00 -999 ? >LYS^C 67 4.92 4.63 -17.02 9.54 5.67 -15.90 7.23 5.15 -16.46 2 0 1000.00 -999 ? >THR^C 68 1.13 4.72 -16.90 -0.10 4.40 -18.68 0.52 4.56 -17.79 2 0 1000.00 -999 ? >THR^C 69 -1.90 2.91 -15.48 -2.89 4.55 -14.48 -2.39 3.73 -14.98 2 0 1000.00 -999 ? >VAL.C 70 -3.97 0.01 -16.81 -5.25 -1.51 -15.88 -4.61 -0.75 -16.34 3 0 1000.00 -999 ? >SER.C 71 -6.93 2.34 -17.45 -6.81 4.09 -15.77 -6.87 3.21 -16.61 2 0 1000.00 -999 ? >HIS~C 72 -4.83 6.59 -18.19 -5.95 7.98 -17.09 -5.39 7.29 -17.64 3 0 1000.00 -999 ? >GLN~C 73 -3.56 -0.37 -20.88 -3.04 -2.38 -20.38 -3.30 -1.38 -20.63 2 0 1000.00 -999 ? >GLN~C 74 -6.95 0.86 -25.87 -5.70 -0.32 -27.14 -6.33 0.27 -26.51 2 0 1000.00 -999 ? >ALA~C 75 -5.26 5.37 -25.02 -5.78 6.37 -24.00 -5.52 5.87 -24.51 2 0 1000.00 -999 ? >LEU~C 76 -0.66 5.18 -23.48 1.43 5.63 -23.17 0.38 5.40 -23.32 3 0 1000.00 -999 ? >LEU~C 77 -1.52 1.35 -26.91 -0.45 -0.13 -25.77 -0.98 0.61 -26.34 3 0 1000.00 -999 ? >GLU~C 78 -5.44 3.28 -29.18 -7.55 3.53 -29.25 -6.49 3.41 -29.21 2 0 1000.00 -999 ? >CYH~C 79 -1.56 7.74 -29.41 -0.86 10.25 -28.35 -1.21 8.99 -28.88 2 0 1000.00 -999 ? >LEU~C 80 2.54 5.19 -28.87 3.66 5.43 -27.06 3.10 5.31 -27.97 3 0 1000.00 -999 ? >LYS~C 81 0.76 4.23 -32.78 -0.46 0.28 -36.03 0.15 2.26 -34.40 2 0 1000.00 -999 ? >SER~C 82 -0.94 7.27 -34.32 -3.21 7.34 -33.42 -2.08 7.31 -33.87 2 0 1000.00 -999 ? >HIS~C 83 1.13 11.21 -32.81 -0.69 12.13 -32.29 0.22 11.67 -32.55 3 0 1000.00 -999 ? >HIS~C 84 6.22 4.70 -34.15 8.08 3.73 -34.30 7.15 4.22 -34.22 3 0 1000.00 -999 ? >PRO.C 85 8.45 7.05 -37.28 6.26 6.95 -37.61 7.35 7.00 -37.44 3 0 1000.00 -999 ? >TYR.C 86 8.61 2.24 -38.11 11.35 2.29 -38.70 9.98 2.26 -38.41 3 0 1000.00 -999 ? >GLN.C 87 1.65 -0.19 -41.18 0.06 1.23 -41.07 0.86 0.52 -41.12 2 0 1000.00 -999 ? >THR.C 88 3.57 -1.62 -37.03 2.98 -3.58 -37.70 3.27 -2.60 -37.37 2 0 1000.00 -999 ? >PRO.C 89 3.82 1.42 -33.89 5.11 -0.21 -34.70 4.47 0.61 -34.29 3 0 1000.00 -999 ? >GLU.C 90 8.16 -3.10 -29.34 10.04 -2.93 -28.39 9.10 -3.01 -28.87 2 0 1000.00 -999 ? >LEU^C 91 2.72 -0.60 -28.98 2.69 1.40 -29.80 2.71 0.40 -29.39 3 0 1000.00 -999 ? >LEU^C 92 5.17 -4.72 -25.50 5.72 -6.22 -26.97 5.45 -5.47 -26.24 3 0 1000.00 -999 ? >VAL^C 93 2.50 -3.58 -22.01 0.58 -2.60 -21.72 1.54 -3.09 -21.87 3 0 1000.00 -999 ? >LEU^C 94 5.67 -5.08 -18.79 7.06 -5.97 -20.19 6.36 -5.53 -19.49 3 0 1000.00 -999 ? >PRO^C 95 2.53 -7.69 -15.72 2.74 -5.51 -16.17 2.63 -6.60 -15.95 3 0 1000.00 -999 ? >VAL.C 96 3.69 -3.73 -12.36 4.36 -1.69 -11.94 4.03 -2.71 -12.15 3 0 1000.00 -999 ? >THR.C 97 2.98 -6.31 -9.64 3.96 -8.15 -10.22 3.47 -7.23 -9.93 2 0 1000.00 -999 ? >HIS^C 98 5.32 -4.49 -4.58 5.81 -3.63 -2.73 5.57 -4.06 -3.65 3 0 1000.00 -999 ? >GLY^C 99 5.78 -0.61 -6.44 5.34 -0.79 -5.75 5.56 -0.70 -6.09 1 0 1000.00 -999 ? >ASP~C 100 7.59 3.20 -4.06 7.46 4.69 -2.59 7.53 3.95 -3.32 2 0 1000.00 -999 ? >THR~C 101 3.13 3.60 -2.70 1.85 3.09 -1.04 2.49 3.34 -1.87 2 0 1000.00 -999 ? >ASP~C 102 5.31 7.91 -2.04 4.90 7.94 0.05 5.11 7.93 -1.00 2 0 1000.00 -999 ? >TYR~C 103 7.19 6.22 -8.22 7.89 6.78 -10.87 7.54 6.50 -9.54 3 0 1000.00 -999 ? >LEU~C 104 1.95 3.61 -6.97 2.81 1.72 -7.61 2.38 2.67 -7.29 3 0 1000.00 -999 ? >SER~C 105 0.21 7.66 -6.04 -0.06 7.09 -3.68 0.08 7.37 -4.86 2 0 1000.00 -999 ? >TRP~C 106 4.13 12.80 -8.80 6.03 11.13 -11.81 5.08 11.97 -10.30 3 0 1000.00 -999 ? >LEU~C 107 2.32 6.66 -11.16 3.74 5.74 -12.50 3.03 6.20 -11.83 3 0 1000.00 -999 ? >ASN~C 108 -2.56 7.53 -9.67 -2.94 5.50 -10.14 -2.75 6.51 -9.91 2 0 1000.00 -999 ? >ALA~C 109 -1.95 11.90 -9.76 -1.14 12.53 -8.64 -1.54 12.22 -9.19 2 0 1000.00 -999 ? >SER~C 110 -0.02 12.78 -12.92 2.27 12.30 -12.30 1.13 12.54 -12.61 2 0 1000.00 -999 ? >LEU~C 111 -2.98 9.71 -15.19 -1.61 8.28 -16.09 -2.30 9.00 -15.64 3 0 1000.00 -999 ?