REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 15-APR-10 3AH6 COMPND DIVALENT-CATION TOLERANCE PROTEIN CUTA; COMPND 3 CHAIN: A, B, C, D, E, F; 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 15.68 11.75 -28.02 15.27 13.84 -27.66 15.47 12.80 -27.84 2 0 1000.00 -999 ? >ALA.A 10 15.40 8.94 -25.45 14.35 7.85 -25.45 14.88 8.39 -25.45 2 0 1000.00 -999 ? >VAL^A 11 18.89 7.85 -24.33 20.47 8.95 -23.28 19.68 8.40 -23.80 3 0 1000.00 -999 ? >VAL^A 12 20.20 4.27 -24.46 19.39 3.75 -26.42 19.79 4.01 -25.44 3 0 1000.00 -999 ? >VAL^A 13 23.42 2.56 -23.43 24.43 2.36 -21.52 23.93 2.46 -22.47 3 0 1000.00 -999 ? >VAL^A 14 25.22 0.28 -25.87 25.09 0.54 -28.05 25.16 0.41 -26.96 3 0 1000.00 -999 ? >LEU^A 15 26.98 -3.69 -23.92 26.68 -3.38 -21.80 26.83 -3.54 -22.86 3 0 1000.00 -999 ? >CYH^A 16 30.25 -3.80 -27.17 31.24 -3.51 -29.82 30.75 -3.66 -28.49 2 0 1000.00 -999 ? >THR^A 17 33.52 -5.65 -26.58 32.79 -7.56 -25.83 33.15 -6.60 -26.20 2 0 1000.00 -999 ? >ALA^A 18 36.79 -5.38 -28.49 37.26 -3.94 -28.74 37.03 -4.66 -28.62 2 0 1000.00 -999 ? >PRO.A 19 39.85 -7.29 -30.89 39.31 -7.25 -28.72 39.58 -7.27 -29.80 3 0 1000.00 -999 ? >ASP~A 20 43.63 -5.21 -28.08 43.75 -4.27 -29.96 43.69 -4.74 -29.02 2 0 1000.00 -999 ? >GLU~A 21 43.06 -1.05 -24.00 44.35 -0.20 -22.52 43.71 -0.63 -23.26 2 0 1000.00 -999 ? >ALA~A 22 43.70 -0.12 -29.93 44.90 -0.70 -30.70 44.30 -0.41 -30.31 2 0 1000.00 -999 ? >THR~A 23 40.72 -1.62 -31.73 40.35 -3.58 -32.50 40.53 -2.60 -32.11 2 0 1000.00 -999 ? >ALA~A 24 38.34 -0.31 -29.07 38.37 -0.72 -27.59 38.35 -0.51 -28.33 2 0 1000.00 -999 ? >GLN~A 25 41.68 3.19 -27.37 43.47 4.09 -26.65 42.58 3.64 -27.01 2 0 1000.00 -999 ? >ASP~A 26 40.61 3.57 -34.01 40.84 1.56 -34.53 40.73 2.56 -34.27 2 0 1000.00 -999 ? >LEU~A 27 35.99 0.61 -32.25 35.16 -1.13 -33.23 35.57 -0.26 -32.74 3 0 1000.00 -999 ? >ALA~A 28 35.08 4.55 -30.47 35.63 4.71 -29.07 35.35 4.63 -29.77 2 0 1000.00 -999 ? >ALA~A 29 36.79 7.48 -32.22 38.30 7.61 -32.45 37.54 7.54 -32.33 2 0 1000.00 -999 ? >LYS~A 30 35.12 6.41 -35.47 34.63 6.30 -40.95 34.88 6.36 -38.21 2 0 1000.00 -999 ? >VAL~A 31 31.52 6.36 -34.22 31.18 4.59 -33.01 31.35 5.48 -33.62 3 0 1000.00 -999 ? >LEU~A 32 33.29 9.73 -31.17 33.13 9.34 -29.04 33.21 9.53 -30.11 3 0 1000.00 -999 ? >ALA~A 33 33.42 11.32 -35.33 34.69 10.95 -36.13 34.06 11.13 -35.73 2 0 1000.00 -999 ? >GLU~A 34 31.06 7.95 -38.59 30.82 8.90 -40.46 30.94 8.43 -39.52 2 0 1000.00 -999 ? >LYS.A 35 28.28 11.46 -34.35 29.32 16.68 -33.76 28.80 14.07 -34.06 2 0 1000.00 -999 ? >LEU.A 36 26.78 6.94 -34.74 26.10 6.78 -36.79 26.44 6.86 -35.77 3 0 1000.00 -999 ? >ALA.A 37 27.35 8.13 -30.21 28.22 6.92 -29.86 27.79 7.53 -30.04 2 0 1000.00 -999 ? >ALA.A 38 28.08 10.98 -27.76 26.96 11.63 -26.95 27.52 11.31 -27.35 2 0 1000.00 -999 ? >CYH^A 39 30.45 9.14 -25.44 31.26 9.13 -22.73 30.85 9.14 -24.09 2 0 1000.00 -999 ? >ALA^A 40 32.38 5.88 -25.09 33.07 5.50 -26.40 32.72 5.69 -25.74 2 0 1000.00 -999 ? >THR^A 41 33.79 4.32 -21.94 33.17 4.73 -19.90 33.48 4.52 -20.92 2 0 1000.00 -999 ? >LEU^A 42 37.58 1.86 -23.34 37.22 2.69 -25.31 37.40 2.27 -24.33 3 0 1000.00 -999 ? >ILE^A 43 36.14 -1.32 -18.72 35.34 -1.24 -17.58 35.74 -1.28 -18.15 3 0 1000.00 -999 ? >PRO^A 44 41.65 -1.31 -19.92 39.84 -2.58 -20.24 40.74 -1.94 -20.08 3 0 1000.00 -999 ? >GLY^A 45 41.47 -6.03 -18.27 40.78 -6.06 -18.68 41.13 -6.05 -18.48 1 0 1000.00 -999 ? >ALA^A 46 38.32 -8.07 -18.83 37.10 -7.48 -19.54 37.71 -7.78 -19.19 2 0 1000.00 -999 ? >THR^A 47 37.71 -11.73 -19.65 38.95 -13.14 -18.60 38.33 -12.44 -19.12 2 0 1000.00 -999 ? >SER^A 48 34.82 -13.26 -21.51 35.01 -12.87 -23.88 34.91 -13.06 -22.70 2 0 1000.00 -999 ? >LEU^A 49 33.78 -17.67 -20.16 35.11 -17.90 -18.49 34.44 -17.78 -19.32 3 0 1000.00 -999 ? >TYR^A 50 32.28 -16.87 -25.77 34.39 -15.90 -27.34 33.34 -16.39 -26.55 3 0 1000.00 -999 ? >TYR^A 51 30.10 -23.46 -24.89 30.13 -24.91 -22.51 30.11 -24.18 -23.70 3 0 1000.00 -999 ? >TRP^A 52 34.51 -20.15 -32.30 31.52 -17.85 -33.42 33.02 -19.00 -32.86 3 0 1000.00 -999 ? >GLU.A 53 33.22 -22.87 -34.14 34.81 -22.30 -35.42 34.01 -22.59 -34.78 2 0 1000.00 -999 ? >GLY.A 54 32.20 -26.86 -29.36 32.59 -26.23 -29.23 32.40 -26.55 -29.30 1 0 1000.00 -999 ? >LYS^A 55 34.89 -25.49 -27.08 40.37 -26.42 -29.39 37.63 -25.95 -28.24 2 0 1000.00 -999 ? >LEU^A 56 34.67 -23.78 -22.54 34.02 -22.52 -20.90 34.34 -23.15 -21.72 3 0 1000.00 -999 ? >GLU^A 57 36.43 -20.47 -27.44 38.25 -21.55 -27.69 37.34 -21.01 -27.57 2 0 1000.00 -999 ? >GLN^A 58 38.96 -17.27 -20.19 39.50 -18.22 -18.35 39.23 -17.74 -19.27 2 0 1000.00 -999 ? >GLU^A 59 38.64 -15.06 -26.70 40.58 -15.68 -27.28 39.61 -15.37 -26.99 2 0 1000.00 -999 ? >TYR^A 60 42.76 -9.52 -22.50 43.14 -6.95 -21.48 42.95 -8.23 -21.99 3 0 1000.00 -999 ? >GLU^A 61 37.37 -10.04 -25.26 35.52 -10.39 -26.21 36.44 -10.22 -25.74 2 0 1000.00 -999 ? >VAL^A 62 37.94 -4.62 -23.57 39.30 -3.01 -24.16 38.62 -3.82 -23.86 3 0 1000.00 -999 ? >GLN^A 63 32.39 -3.70 -20.91 31.21 -5.15 -21.95 31.80 -4.42 -21.43 2 0 1000.00 -999 ? >MET^A 64 32.88 -0.81 -24.33 34.35 -0.98 -28.23 33.61 -0.90 -26.28 2 0 1000.00 -999 ? >ILE^A 65 29.89 1.54 -21.51 29.37 1.22 -20.19 29.63 1.38 -20.85 3 0 1000.00 -999 ? >LEU^A 66 28.79 3.50 -27.00 30.22 2.32 -28.15 29.51 2.91 -27.57 3 0 1000.00 -999 ? >LYS^A 67 25.86 6.34 -25.05 29.48 6.19 -21.50 27.67 6.27 -23.28 2 0 1000.00 -999 ? >THR^A 68 23.51 7.45 -27.79 23.24 6.28 -29.60 23.38 6.87 -28.69 2 0 1000.00 -999 ? >THR^A 69 19.80 7.93 -28.48 19.79 10.02 -29.13 19.80 8.98 -28.80 2 0 1000.00 -999 ? >VAL~A 70 17.09 5.60 -29.78 15.17 4.91 -29.04 16.13 5.25 -29.41 3 0 1000.00 -999 ? >SER~A 71 17.13 7.54 -33.04 17.87 9.72 -32.32 17.50 8.63 -32.68 2 0 1000.00 -999 ? >HIS~A 72 21.58 9.10 -33.48 21.15 11.05 -34.11 21.37 10.08 -33.80 3 0 1000.00 -999 ? >GLN~A 73 18.67 2.34 -31.67 17.44 1.22 -30.32 18.05 1.78 -30.99 2 0 1000.00 -999 ? >GLN~A 74 19.30 0.13 -37.30 19.17 -1.74 -36.27 19.24 -0.81 -36.79 2 0 1000.00 -999 ? >ALA~A 75 23.13 3.38 -37.30 22.96 4.86 -37.64 23.04 4.12 -37.47 2 0 1000.00 -999 ? >LEU~A 76 25.37 3.56 -32.96 26.91 3.84 -31.46 26.14 3.70 -32.21 3 0 1000.00 -999 ? >LEU~A 77 24.02 -1.42 -33.93 23.14 -1.61 -31.97 23.58 -1.52 -32.95 3 0 1000.00 -999 ? >GLU~A 78 23.46 -0.74 -39.31 22.52 0.15 -40.98 22.99 -0.29 -40.14 2 0 1000.00 -999 ? >CYH~A 79 28.77 1.24 -38.04 30.27 3.58 -38.04 29.52 2.40 -38.04 2 0 1000.00 -999 ? >LEU~A 80 29.72 -0.82 -33.72 30.00 0.45 -32.01 29.86 -0.18 -32.87 3 0 1000.00 -999 ? >LYS~A 81 29.67 -4.00 -36.76 25.63 -8.64 -37.91 27.65 -6.32 -37.34 2 0 1000.00 -999 ? >SER~A 82 31.18 -3.01 -40.14 29.34 -1.96 -41.34 30.26 -2.48 -40.74 2 0 1000.00 -999 ? >HIS~A 83 34.17 0.81 -38.90 33.95 2.34 -40.33 34.06 1.58 -39.62 3 0 1000.00 -999 ? >HIS~A 84 33.88 -5.55 -33.77 34.43 -6.20 -31.85 34.15 -5.88 -32.81 3 0 1000.00 -999 ? >PRO.A 85 38.10 -6.73 -34.54 36.85 -6.59 -36.38 37.48 -6.66 -35.46 3 0 1000.00 -999 ? >TYR.A 86 35.21 -10.20 -33.13 37.05 -10.43 -31.03 36.13 -10.31 -32.08 3 0 1000.00 -999 ? >GLN.A 87 30.49 -12.74 -39.18 30.39 -11.70 -41.03 30.44 -12.22 -40.11 2 0 1000.00 -999 ? >THR.A 88 29.35 -10.84 -35.10 27.60 -12.05 -35.42 28.48 -11.44 -35.26 2 0 1000.00 -999 ? >PRO.A 89 30.54 -6.94 -33.48 30.38 -9.03 -32.75 30.46 -7.98 -33.12 3 0 1000.00 -999 ? >GLU.A 90 28.23 -7.49 -26.46 28.95 -7.64 -24.49 28.59 -7.56 -25.47 2 0 1000.00 -999 ? >LEU.A 91 25.96 -5.13 -31.19 27.45 -4.20 -32.46 26.71 -4.66 -31.82 3 0 1000.00 -999 ? >LEU^A 92 23.63 -5.69 -25.80 23.55 -7.85 -25.68 23.59 -6.77 -25.74 3 0 1000.00 -999 ? >VAL^A 93 21.18 -1.91 -26.28 20.54 -0.59 -27.92 20.86 -1.25 -27.10 3 0 1000.00 -999 ? >LEU^A 94 20.91 -1.32 -21.59 22.16 -3.06 -21.27 21.54 -2.19 -21.43 3 0 1000.00 -999 ? >PRO^A 95 16.00 -0.26 -21.05 17.66 0.87 -22.05 16.83 0.31 -21.55 3 0 1000.00 -999 ? >VAL.A 96 17.85 4.54 -19.75 19.55 5.89 -19.78 18.70 5.22 -19.77 3 0 1000.00 -999 ? >THR.A 97 14.81 5.66 -17.79 14.37 3.96 -16.53 14.59 4.81 -17.16 2 0 1000.00 -999 ? >HIS^A 98 15.70 10.02 -14.07 15.56 11.93 -13.21 15.63 10.97 -13.64 3 0 1000.00 -999 ? >GLY^A 99 19.40 10.90 -16.12 18.73 11.41 -16.00 19.06 11.16 -16.06 1 0 1000.00 -999 ? >ASP~A 100 22.19 14.68 -14.97 22.44 16.73 -14.63 22.31 15.70 -14.80 2 0 1000.00 -999 ? >THR~A 101 18.97 16.92 -17.42 17.27 18.24 -17.17 18.12 17.58 -17.30 2 0 1000.00 -999 ? >ASP~A 102 23.07 19.54 -17.39 22.07 21.19 -16.51 22.57 20.37 -16.95 2 0 1000.00 -999 ? >TYR~A 103 25.22 13.39 -18.87 26.76 11.45 -20.16 25.99 12.42 -19.51 3 0 1000.00 -999 ? >LEU~A 104 19.70 14.06 -20.85 19.08 12.14 -20.08 19.39 13.10 -20.47 3 0 1000.00 -999 ? >SER~A 105 21.00 17.50 -23.44 21.31 19.59 -22.20 21.15 18.55 -22.82 2 0 1000.00 -999 ? >TRP~A 106 28.08 18.12 -23.93 29.26 14.37 -23.76 28.67 16.25 -23.85 3 0 1000.00 -999 ? >LEU~A 107 24.02 13.01 -24.17 23.53 10.95 -24.39 23.77 11.98 -24.28 3 0 1000.00 -999 ? >ASN~A 108 20.27 15.39 -27.11 18.96 13.82 -26.55 19.61 14.60 -26.83 2 0 1000.00 -999 ? >ALA~A 109 23.43 18.07 -28.63 23.76 19.25 -27.72 23.60 18.66 -28.17 2 0 1000.00 -999 ? >SER~A 110 26.40 15.87 -29.56 27.63 16.06 -27.47 27.01 15.97 -28.52 2 0 1000.00 -999 ? >LEU.A 111 23.56 12.57 -31.51 23.96 10.96 -30.13 23.76 11.77 -30.82 3 0 1000.00 -999 ? >ASN.B 8 14.93 -14.29 -31.04 16.61 -14.94 -32.22 15.77 -14.61 -31.63 2 0 1000.00 -999 ? >THR.B 9 13.21 -14.74 -26.76 12.81 -16.10 -25.12 13.01 -15.42 -25.94 2 0 1000.00 -999 ? >ALA.B 10 13.86 -11.33 -25.18 12.90 -10.55 -24.31 13.38 -10.94 -24.74 2 0 1000.00 -999 ? >VAL^B 11 17.45 -11.06 -23.98 19.30 -11.34 -25.11 18.38 -11.20 -24.54 3 0 1000.00 -999 ? >VAL^B 12 18.70 -9.67 -20.67 17.22 -10.59 -19.33 17.96 -10.13 -20.00 3 0 1000.00 -999 ? >VAL^B 13 21.93 -8.91 -18.87 23.45 -7.45 -19.42 22.69 -8.18 -19.15 3 0 1000.00 -999 ? >VAL^B 14 22.59 -10.21 -15.36 21.83 -12.07 -14.47 22.21 -11.14 -14.92 3 0 1000.00 -999 ? >LEU^B 15 24.86 -7.00 -12.57 25.06 -5.24 -13.82 24.96 -6.12 -13.19 3 0 1000.00 -999 ? >CYH^B 16 26.68 -10.56 -10.30 26.92 -13.15 -9.17 26.80 -11.85 -9.73 2 0 1000.00 -999 ? >THR^B 17 29.67 -9.75 -8.13 30.17 -7.91 -7.10 29.92 -8.83 -7.61 2 0 1000.00 -999 ? >ALA^B 18 32.17 -12.46 -7.17 32.73 -13.37 -8.27 32.45 -12.92 -7.72 2 0 1000.00 -999 ? >PRO.B 19 34.12 -14.41 -3.73 34.23 -12.45 -4.81 34.17 -13.43 -4.27 3 0 1000.00 -999 ? >ASP~B 20 38.60 -14.09 -5.78 37.78 -15.93 -5.16 38.19 -15.01 -5.47 2 0 1000.00 -999 ? >GLU~B 21 40.03 -12.73 -11.41 41.93 -12.31 -12.20 40.98 -12.52 -11.81 2 0 1000.00 -999 ? >ALA~B 22 38.69 -18.12 -9.38 39.46 -18.77 -8.21 39.07 -18.45 -8.79 2 0 1000.00 -999 ? >THR~B 23 35.12 -17.93 -8.07 34.32 -17.54 -6.11 34.72 -17.73 -7.09 2 0 1000.00 -999 ? >ALA~B 24 34.00 -15.68 -10.94 34.60 -14.31 -11.29 34.30 -14.99 -11.11 2 0 1000.00 -999 ? >GLN~B 25 37.62 -16.91 -14.27 39.62 -17.23 -14.95 38.62 -17.07 -14.61 2 0 1000.00 -999 ? >ASP~B 26 34.33 -21.66 -10.50 36.36 -22.19 -10.23 35.35 -21.92 -10.36 2 0 1000.00 -999 ? >LEU~B 27 30.23 -18.20 -10.91 29.59 -17.95 -8.86 29.91 -18.08 -9.88 3 0 1000.00 -999 ? >ALA~B 28 30.75 -18.53 -15.30 31.77 -17.58 -15.91 31.26 -18.05 -15.60 2 0 1000.00 -999 ? >ALA~B 29 31.95 -21.93 -16.50 33.22 -22.64 -16.04 32.59 -22.28 -16.27 2 0 1000.00 -999 ? >LYS~B 30 29.20 -23.55 -14.43 26.99 -27.87 -11.99 28.10 -25.71 -13.21 2 0 1000.00 -999 ? >VAL~B 31 26.19 -21.60 -15.73 26.16 -19.61 -14.81 26.17 -20.61 -15.27 3 0 1000.00 -999 ? >LEU~B 32 28.94 -21.35 -19.78 29.66 -19.32 -19.94 29.30 -20.33 -19.86 3 0 1000.00 -999 ? >ALA~B 33 27.77 -25.58 -18.97 28.68 -26.33 -18.00 28.23 -25.95 -18.49 2 0 1000.00 -999 ? >GLU~B 34 24.40 -25.97 -15.05 23.78 -27.99 -14.98 24.09 -26.98 -15.02 2 0 1000.00 -999 ? >LYS.B 35 23.11 -23.57 -20.58 25.70 -23.84 -24.98 24.41 -23.71 -22.78 2 0 1000.00 -999 ? >LEU.B 36 21.62 -21.01 -16.81 20.46 -22.46 -15.69 21.04 -21.73 -16.25 3 0 1000.00 -999 ? >ALA.B 37 23.84 -18.18 -19.85 24.81 -17.56 -18.83 24.32 -17.87 -19.34 2 0 1000.00 -999 ? >ALA.B 38 25.31 -17.78 -23.33 24.47 -17.18 -24.46 24.89 -17.48 -23.89 2 0 1000.00 -999 ? >CYH^B 39 28.19 -15.48 -22.43 29.78 -13.44 -23.58 28.99 -14.46 -23.00 2 0 1000.00 -999 ? >ALA^B 40 29.94 -14.08 -19.36 30.18 -15.16 -18.33 30.06 -14.62 -18.84 2 0 1000.00 -999 ? >THR^B 41 32.21 -11.04 -19.13 32.19 -9.30 -20.45 32.20 -10.17 -19.79 2 0 1000.00 -999 ? >LEU^B 42 35.16 -12.07 -15.59 34.21 -13.99 -15.35 34.68 -13.03 -15.47 3 0 1000.00 -999 ? >ILE^B 43 35.20 -6.25 -15.11 34.91 -5.06 -15.90 35.05 -5.65 -15.51 3 0 1000.00 -999 ? >PRO^B 44 39.39 -9.60 -13.51 38.19 -7.92 -12.68 38.79 -8.76 -13.10 3 0 1000.00 -999 ? >GLY^B 45 39.84 -5.15 -9.80 39.08 -5.29 -9.87 39.46 -5.22 -9.84 1 0 1000.00 -999 ? >ALA^B 46 36.43 -3.71 -8.93 35.11 -4.23 -9.50 35.77 -3.97 -9.22 2 0 1000.00 -999 ? >THR^B 47 35.74 -2.20 -5.52 37.07 -0.93 -4.39 36.40 -1.56 -4.95 2 0 1000.00 -999 ? >SER^B 48 32.49 -2.81 -3.68 30.78 -4.34 -2.88 31.64 -3.57 -3.28 2 0 1000.00 -999 ? >LEU^B 49 31.88 1.26 -1.30 33.80 2.22 -1.15 32.84 1.74 -1.22 3 0 1000.00 -999 ? >TYR^B 50 28.47 -3.04 0.91 29.85 -5.40 1.43 29.16 -4.22 1.17 3 0 1000.00 -999 ? >TYR^B 51 27.27 1.94 5.63 28.72 4.29 5.94 27.99 3.11 5.78 3 0 1000.00 -999 ? >TRP^B 52 28.64 -6.67 7.99 25.74 -8.34 5.94 27.19 -7.51 6.96 3 0 1000.00 -999 ? >GLU.B 53 25.42 -5.70 10.57 25.70 -7.54 11.56 25.56 -6.62 11.06 2 0 1000.00 -999 ? >GLY.B 54 27.94 0.04 11.02 28.20 -0.39 10.45 28.07 -0.17 10.73 1 0 1000.00 -999 ? >LYS^B 55 31.09 -0.63 9.02 32.11 -0.70 14.12 31.60 -0.67 11.57 2 0 1000.00 -999 ? >LEU^B 56 32.46 2.32 5.44 32.27 3.40 3.58 32.37 2.86 4.51 3 0 1000.00 -999 ? >GLU^B 57 31.59 -4.15 5.01 33.20 -5.16 5.95 32.40 -4.66 5.48 2 0 1000.00 -999 ? >GLN^B 58 37.18 -0.57 -0.03 38.33 1.22 0.14 37.75 0.32 0.05 2 0 1000.00 -999 ? >GLU^B 59 34.24 -6.75 0.79 35.72 -7.50 2.10 34.98 -7.13 1.44 2 0 1000.00 -999 ? >TYR^B 60 40.23 -4.95 -3.24 41.65 -2.86 -2.04 40.94 -3.90 -2.64 3 0 1000.00 -999 ? >GLU^B 61 34.25 -8.13 -4.08 32.31 -8.59 -3.39 33.28 -8.36 -3.73 2 0 1000.00 -999 ? >VAL^B 62 35.07 -9.10 -9.67 36.17 -10.74 -10.59 35.62 -9.92 -10.13 3 0 1000.00 -999 ? >GLN^B 63 30.83 -5.77 -12.77 29.20 -5.79 -11.39 30.02 -5.78 -12.08 2 0 1000.00 -999 ? >MET^B 64 30.37 -10.20 -13.79 30.38 -13.83 -11.62 30.38 -12.01 -12.71 2 0 1000.00 -999 ? >ILE^B 65 28.50 -8.30 -17.68 28.48 -6.98 -18.19 28.49 -7.64 -17.93 3 0 1000.00 -999 ? >LEU^B 66 25.78 -13.54 -17.09 26.78 -14.31 -15.33 26.28 -13.92 -16.21 3 0 1000.00 -999 ? >LYS^B 67 23.96 -12.68 -21.14 27.68 -10.22 -21.37 25.82 -11.45 -21.25 2 0 1000.00 -999 ? >THR^B 68 20.83 -14.84 -21.18 19.94 -15.69 -19.37 20.38 -15.26 -20.27 2 0 1000.00 -999 ? >THR^B 69 17.13 -14.70 -22.11 16.92 -16.35 -23.50 17.03 -15.53 -22.80 2 0 1000.00 -999 ? >VAL.B 70 14.10 -13.81 -20.00 12.86 -12.42 -21.13 13.48 -13.12 -20.56 3 0 1000.00 -999 ? >SER.B 71 12.96 -17.43 -20.12 13.69 -18.30 -22.28 13.33 -17.86 -21.20 2 0 1000.00 -999 ? >HIS~B 72 17.10 -19.92 -20.14 16.75 -21.32 -21.67 16.92 -20.62 -20.91 3 0 1000.00 -999 ? >GLN~B 73 14.52 -14.03 -16.12 13.67 -12.06 -16.03 14.10 -13.05 -16.08 2 0 1000.00 -999 ? >GLN~B 74 13.37 -17.89 -11.24 13.89 -16.40 -9.81 13.63 -17.15 -10.53 2 0 1000.00 -999 ? >ALA~B 75 17.02 -20.38 -13.31 16.90 -21.38 -14.46 16.96 -20.88 -13.89 2 0 1000.00 -999 ? >LEU~B 76 20.53 -17.43 -15.00 22.55 -16.86 -15.58 21.54 -17.15 -15.29 3 0 1000.00 -999 ? >LEU~B 77 18.66 -15.53 -10.45 18.63 -13.46 -11.08 18.64 -14.49 -10.77 3 0 1000.00 -999 ? >GLU~B 78 16.51 -19.74 -9.07 14.80 -20.99 -9.04 15.66 -20.37 -9.05 2 0 1000.00 -999 ? >CYH~B 79 22.05 -21.48 -10.10 23.79 -22.93 -11.75 22.92 -22.20 -10.93 2 0 1000.00 -999 ? >LEU~B 80 24.19 -17.13 -10.27 25.32 -16.28 -11.89 24.76 -16.70 -11.08 3 0 1000.00 -999 ? >LYS~B 81 23.22 -17.97 -6.07 18.85 -15.89 -2.01 21.03 -16.93 -4.04 2 0 1000.00 -999 ? >SER~B 82 23.58 -21.54 -4.84 22.91 -23.13 -6.54 23.24 -22.34 -5.69 2 0 1000.00 -999 ? >HIS~B 83 26.84 -23.63 -8.37 26.42 -25.62 -8.85 26.63 -24.62 -8.61 3 0 1000.00 -999 ? >HIS~B 84 28.15 -16.08 -5.05 29.19 -14.27 -4.91 28.67 -15.18 -4.98 3 0 1000.00 -999 ? >PRO.B 85 31.72 -17.55 -2.96 29.88 -18.69 -2.49 30.80 -18.12 -2.72 3 0 1000.00 -999 ? >TYR.B 86 29.24 -13.74 -1.03 31.61 -12.28 -1.09 30.42 -13.01 -1.06 3 0 1000.00 -999 ? >GLN.B 87 24.79 -16.98 3.56 24.04 -16.68 5.54 24.41 -16.83 4.55 2 0 1000.00 -999 ? >THR.B 88 23.12 -13.29 -0.70 21.40 -12.54 0.38 22.26 -12.92 -0.16 2 0 1000.00 -999 ? >PRO.B 89 24.97 -14.19 -4.59 24.90 -12.48 -3.16 24.93 -13.33 -3.88 3 0 1000.00 -999 ? >GLU.B 90 24.67 -7.22 -7.54 26.01 -5.81 -8.36 25.34 -6.51 -7.95 2 0 1000.00 -999 ? >LEU^B 91 21.47 -12.04 -8.20 22.63 -13.86 -8.19 22.05 -12.95 -8.20 3 0 1000.00 -999 ? >LEU^B 92 20.72 -6.67 -10.50 20.79 -5.62 -8.59 20.76 -6.15 -9.54 3 0 1000.00 -999 ? >VAL^B 93 18.66 -8.30 -14.21 17.56 -10.08 -14.76 18.11 -9.19 -14.49 3 0 1000.00 -999 ? >LEU^B 94 20.10 -4.70 -16.98 21.30 -3.94 -15.35 20.70 -4.32 -16.16 3 0 1000.00 -999 ? >PRO^B 95 15.49 -3.67 -19.12 16.92 -5.38 -19.25 16.21 -4.52 -19.18 3 0 1000.00 -999 ? >VAL.B 96 18.02 -5.47 -23.42 19.61 -6.65 -24.29 18.82 -6.06 -23.85 3 0 1000.00 -999 ? >THR.B 97 15.73 -3.36 -25.61 15.65 -1.40 -24.69 15.69 -2.38 -25.15 2 0 1000.00 -999 ? >HIS^B 98 17.61 -2.81 -31.08 17.90 -2.89 -33.16 17.75 -2.85 -32.12 3 0 1000.00 -999 ? >GLY^B 99 20.77 -5.41 -30.42 20.18 -5.41 -31.01 20.48 -5.41 -30.71 1 0 1000.00 -999 ? >ASP~B 100 23.96 -7.01 -33.71 24.44 -7.94 -35.54 24.20 -7.48 -34.62 2 0 1000.00 -999 ? >THR~B 101 20.14 -9.37 -35.07 18.55 -9.43 -36.54 19.35 -9.40 -35.81 2 0 1000.00 -999 ? >ASP~B 102 24.08 -11.82 -36.61 23.45 -11.79 -38.62 23.77 -11.80 -37.61 2 0 1000.00 -999 ? >TYR~B 103 25.48 -10.48 -30.14 26.68 -11.09 -27.70 26.08 -10.78 -28.92 3 0 1000.00 -999 ? >LEU~B 104 19.66 -10.97 -30.62 19.42 -9.07 -29.64 19.54 -10.02 -30.13 3 0 1000.00 -999 ? >SER~B 105 20.20 -14.95 -32.66 20.17 -16.29 -34.68 20.18 -15.62 -33.67 2 0 1000.00 -999 ? >TRP~B 106 26.47 -17.83 -31.41 27.84 -16.19 -28.11 27.16 -17.01 -29.76 3 0 1000.00 -999 ? >LEU~B 107 22.23 -14.39 -27.21 23.56 -12.94 -26.32 22.89 -13.67 -26.77 3 0 1000.00 -999 ? >ASN~B 108 18.10 -16.91 -29.18 16.86 -15.49 -28.16 17.48 -16.20 -28.67 2 0 1000.00 -999 ? >ALA~B 109 20.73 -20.35 -30.24 21.49 -20.23 -31.55 21.11 -20.29 -30.89 2 0 1000.00 -999 ? >SER~B 110 23.29 -20.85 -27.45 25.33 -19.59 -27.91 24.31 -20.22 -27.68 2 0 1000.00 -999 ? >LEU.B 111 19.94 -20.26 -24.20 21.05 -18.93 -22.89 20.50 -19.60 -23.55 3 0 1000.00 -999 ? >SER.C 7 7.12 -6.20 -1.13 5.60 -4.52 -2.02 6.36 -5.36 -1.57 2 0 1000.00 -999 ? >ASN.C 8 11.49 -5.43 -2.89 12.17 -6.77 -1.41 11.83 -6.10 -2.15 2 0 1000.00 -999 ? >THR.C 9 10.50 -1.22 -4.22 10.42 0.87 -3.58 10.46 -0.18 -3.90 2 0 1000.00 -999 ? >ALA.C 10 11.88 -1.45 -7.77 11.20 -0.89 -9.01 11.54 -1.17 -8.39 2 0 1000.00 -999 ? >VAL^C 11 15.64 -0.89 -7.90 16.60 -2.71 -7.16 16.12 -1.80 -7.53 3 0 1000.00 -999 ? >VAL^C 12 17.82 0.89 -10.45 16.79 2.82 -10.35 17.30 1.86 -10.40 3 0 1000.00 -999 ? >VAL^C 13 21.47 0.95 -11.46 22.78 -0.61 -12.31 22.13 0.17 -11.88 3 0 1000.00 -999 ? >VAL^C 14 23.15 4.34 -11.72 22.47 6.09 -10.59 22.81 5.22 -11.16 3 0 1000.00 -999 ? >LEU^C 15 26.10 4.55 -15.51 26.06 2.53 -16.31 26.08 3.54 -15.91 3 0 1000.00 -999 ? >CYH^C 16 28.58 7.70 -13.19 28.94 9.93 -11.45 28.76 8.81 -12.32 2 0 1000.00 -999 ? >THR^C 17 32.29 8.25 -13.79 32.40 8.35 -15.94 32.35 8.30 -14.87 2 0 1000.00 -999 ? >ALA^C 18 34.81 10.06 -11.61 34.88 9.63 -10.16 34.85 9.84 -10.89 2 0 1000.00 -999 ? >PRO.C 19 37.79 13.14 -11.01 37.60 11.35 -12.31 37.69 12.25 -11.66 3 0 1000.00 -999 ? >ASP~C 20 41.38 10.01 -9.63 40.89 11.54 -8.27 41.13 10.78 -8.95 2 0 1000.00 -999 ? >GLU~C 21 41.18 4.61 -8.14 42.27 5.44 -9.76 41.72 5.03 -8.95 2 0 1000.00 -999 ? >ALA~C 22 39.83 9.17 -4.54 40.92 10.22 -4.32 40.38 9.70 -4.43 2 0 1000.00 -999 ? >THR~C 23 36.91 11.15 -5.97 36.90 12.78 -7.40 36.91 11.97 -6.69 2 0 1000.00 -999 ? >ALA~C 24 34.94 8.02 -6.83 35.47 6.87 -7.67 35.20 7.45 -7.25 2 0 1000.00 -999 ? >GLN~C 25 36.64 5.41 -1.69 38.52 4.67 -1.10 37.58 5.04 -1.40 2 0 1000.00 -999 ? >ASP~C 26 35.06 11.61 -1.87 37.01 11.74 -1.03 36.04 11.67 -1.45 2 0 1000.00 -999 ? >LEU~C 27 31.42 10.34 -5.49 31.42 12.06 -6.78 31.42 11.20 -6.14 3 0 1000.00 -999 ? >ALA~C 28 30.40 6.82 -2.98 31.23 5.57 -3.29 30.82 6.19 -3.14 2 0 1000.00 -999 ? >ALA~C 29 30.90 7.26 0.76 32.19 7.71 1.43 31.55 7.49 1.09 2 0 1000.00 -999 ? >LYS~C 30 28.82 10.44 0.61 27.07 15.19 2.55 27.94 12.81 1.58 2 0 1000.00 -999 ? >VAL~C 31 25.73 8.93 -1.05 26.13 8.68 -3.19 25.93 8.80 -2.12 3 0 1000.00 -999 ? >LEU~C 32 27.21 4.85 1.20 27.69 3.16 -0.05 27.45 4.00 0.58 3 0 1000.00 -999 ? >ALA~C 33 26.00 7.89 4.21 27.09 8.92 4.57 26.55 8.40 4.39 2 0 1000.00 -999 ? >GLU~C 34 23.91 12.13 2.03 22.91 13.42 3.39 23.41 12.78 2.71 2 0 1000.00 -999 ? >LYS.C 35 21.23 6.59 2.41 20.09 3.30 6.70 20.66 4.94 4.56 2 0 1000.00 -999 ? >LEU.C 36 21.14 8.90 -1.80 20.25 10.83 -1.37 20.70 9.86 -1.58 3 0 1000.00 -999 ? >ALA.C 37 22.52 4.43 -2.43 23.81 4.77 -3.19 23.17 4.60 -2.81 2 0 1000.00 -999 ? >ALA.C 38 22.57 0.91 -0.94 21.60 -0.19 -1.33 22.09 0.36 -1.14 2 0 1000.00 -999 ? >CYH^C 39 25.93 0.08 -2.49 24.89 -2.32 -3.53 25.41 -1.12 -3.01 2 0 1000.00 -999 ? >ALA^C 40 28.43 1.15 -5.11 28.84 2.60 -4.84 28.63 1.88 -4.98 2 0 1000.00 -999 ? >THR^C 41 30.91 -0.62 -7.33 30.67 -2.57 -8.24 30.79 -1.59 -7.78 2 0 1000.00 -999 ? >LEU^C 42 34.91 1.88 -7.43 34.07 3.18 -5.92 34.49 2.53 -6.68 3 0 1000.00 -999 ? >ILE^C 43 35.10 -0.68 -12.72 34.56 -1.87 -13.39 34.83 -1.28 -13.06 3 0 1000.00 -999 ? >PRO^C 44 40.05 0.54 -10.40 38.63 1.45 -11.85 39.34 1.00 -11.13 3 0 1000.00 -999 ? >GLY^C 45 41.38 1.78 -15.15 40.66 2.10 -15.18 41.02 1.94 -15.17 1 0 1000.00 -999 ? >ALA^C 46 38.75 3.05 -17.57 37.29 3.23 -17.19 38.02 3.14 -17.38 2 0 1000.00 -999 ? >THR^C 47 39.16 5.41 -20.50 40.94 5.43 -21.72 40.05 5.42 -21.11 2 0 1000.00 -999 ? >SER^C 48 36.44 7.73 -21.77 35.15 7.81 -19.70 35.79 7.77 -20.74 2 0 1000.00 -999 ? >LEU^C 49 36.82 8.28 -26.48 38.50 6.95 -26.84 37.66 7.61 -26.66 3 0 1000.00 -999 ? >TYR^C 50 33.99 12.89 -23.91 35.48 14.04 -21.83 34.73 13.47 -22.87 3 0 1000.00 -999 ? >TYR^C 51 34.20 14.98 -30.68 35.65 13.89 -32.81 34.92 14.43 -31.74 3 0 1000.00 -999 ? >TRP^C 52 35.09 20.31 -23.17 31.61 19.69 -21.44 33.35 20.00 -22.31 3 0 1000.00 -999 ? >GLU.C 53 33.28 22.50 -25.24 33.58 24.17 -24.00 33.43 23.34 -24.62 2 0 1000.00 -999 ? >GLY.C 54 34.62 20.18 -30.90 34.94 19.95 -30.25 34.78 20.07 -30.57 1 0 1000.00 -999 ? >LYS^C 55 37.77 18.56 -29.47 42.58 18.21 -26.88 40.18 18.38 -28.17 2 0 1000.00 -999 ? >LEU^C 56 38.71 13.80 -30.21 38.40 11.65 -30.11 38.56 12.73 -30.16 3 0 1000.00 -999 ? >GLU^C 57 38.06 16.24 -24.59 39.73 17.46 -24.13 38.90 16.85 -24.36 2 0 1000.00 -999 ? >GLN^C 58 41.70 8.72 -24.59 43.20 7.82 -25.80 42.45 8.27 -25.20 2 0 1000.00 -999 ? >GLU^C 59 39.58 13.21 -20.07 41.50 14.06 -19.87 40.54 13.64 -19.97 2 0 1000.00 -999 ? >TYR^C 60 42.49 7.24 -15.50 42.29 5.26 -13.54 42.39 6.25 -14.52 3 0 1000.00 -999 ? >GLU^C 61 36.99 8.95 -17.27 35.24 10.10 -17.26 36.12 9.53 -17.26 2 0 1000.00 -999 ? >VAL^C 62 36.79 5.34 -12.73 37.53 5.24 -10.68 37.16 5.29 -11.70 3 0 1000.00 -999 ? >GLN^C 63 31.81 2.29 -14.96 30.76 3.84 -15.97 31.29 3.07 -15.46 2 0 1000.00 -999 ? >MET^C 64 30.89 3.85 -10.90 31.38 7.50 -8.91 31.14 5.67 -9.90 2 0 1000.00 -999 ? >ILE^C 65 28.01 0.16 -11.14 27.89 -0.87 -12.13 27.95 -0.36 -11.64 3 0 1000.00 -999 ? >LEU^C 66 25.35 4.00 -7.45 26.79 5.59 -7.58 26.07 4.80 -7.51 3 0 1000.00 -999 ? >LYS^C 67 22.43 0.63 -6.72 26.22 -1.83 -7.71 24.33 -0.60 -7.22 2 0 1000.00 -999 ? >THR^C 68 19.38 2.26 -5.14 19.06 4.41 -5.30 19.22 3.34 -5.22 2 0 1000.00 -999 ? >THR^C 69 15.57 2.28 -5.47 14.86 2.02 -3.44 15.22 2.15 -4.45 2 0 1000.00 -999 ? >VAL.C 70 13.42 4.32 -7.87 11.92 3.03 -8.78 12.67 3.67 -8.33 3 0 1000.00 -999 ? >SER.C 71 12.19 6.39 -4.95 12.05 4.84 -3.06 12.12 5.62 -4.00 2 0 1000.00 -999 ? >HIS~C 72 15.98 6.56 -2.01 15.07 6.38 -0.13 15.52 6.47 -1.07 3 0 1000.00 -999 ? >GLN~C 73 15.13 7.70 -9.43 14.43 6.85 -11.27 14.78 7.27 -10.35 2 0 1000.00 -999 ? >GLN~C 74 14.75 13.78 -8.51 15.22 14.17 -10.56 14.98 13.97 -9.54 2 0 1000.00 -999 ? >ALA~C 75 17.84 12.60 -4.91 17.29 12.19 -3.55 17.56 12.39 -4.23 2 0 1000.00 -999 ? >LEU~C 76 20.83 8.92 -6.01 22.59 7.68 -6.04 21.71 8.30 -6.02 3 0 1000.00 -999 ? >LEU~C 77 20.63 12.14 -10.16 20.50 10.38 -11.41 20.57 11.26 -10.79 3 0 1000.00 -999 ? >GLU~C 78 18.72 16.16 -7.69 16.92 16.72 -6.74 17.82 16.44 -7.21 2 0 1000.00 -999 ? >CYH~C 79 23.50 14.65 -4.56 24.53 13.57 -2.20 24.02 14.11 -3.38 2 0 1000.00 -999 ? >LEU~C 80 25.87 11.99 -7.87 26.32 9.90 -7.57 26.09 10.94 -7.72 3 0 1000.00 -999 ? >LYS~C 81 25.88 16.26 -9.16 25.10 19.45 -13.37 25.49 17.85 -11.26 2 0 1000.00 -999 ? >SER~C 82 26.47 18.66 -6.27 24.32 19.13 -5.24 25.40 18.90 -5.75 2 0 1000.00 -999 ? >HIS~C 83 28.73 16.21 -2.72 27.78 16.90 -0.98 28.26 16.56 -1.85 3 0 1000.00 -999 ? >HIS~C 84 30.99 14.52 -10.43 32.00 13.18 -11.70 31.49 13.85 -11.07 3 0 1000.00 -999 ? >PRO.C 85 35.12 15.98 -9.57 33.55 17.56 -9.36 34.34 16.77 -9.47 3 0 1000.00 -999 ? >TYR.C 86 33.65 15.64 -14.33 35.77 13.90 -14.88 34.71 14.77 -14.60 3 0 1000.00 -999 ? >GLN.C 87 31.50 20.56 -17.16 33.43 19.72 -16.76 32.46 20.14 -16.96 2 0 1000.00 -999 ? >THR.C 88 28.32 17.80 -16.62 27.31 18.42 -18.43 27.82 18.11 -17.53 2 0 1000.00 -999 ? >PRO.C 89 28.05 15.22 -13.12 28.95 15.13 -15.15 28.50 15.17 -14.14 3 0 1000.00 -999 ? >GLU.C 90 27.67 8.79 -17.21 28.85 7.13 -17.72 28.26 7.96 -17.47 2 0 1000.00 -999 ? >LEU.C 91 24.04 11.76 -13.82 24.99 12.32 -11.96 24.52 12.04 -12.89 3 0 1000.00 -999 ? >LEU^C 92 22.88 7.12 -17.34 23.43 7.97 -19.23 23.15 7.54 -18.28 3 0 1000.00 -999 ? >VAL^C 93 19.70 5.48 -14.58 18.43 6.19 -12.96 19.06 5.84 -13.77 3 0 1000.00 -999 ? >LEU^C 94 20.17 1.03 -16.25 21.85 1.63 -17.46 21.01 1.33 -16.86 3 0 1000.00 -999 ? >PRO^C 95 15.34 -0.23 -16.90 16.50 0.21 -15.05 15.92 -0.01 -15.98 3 0 1000.00 -999 ? >VAL.C 96 16.44 -3.53 -12.90 17.82 -3.98 -11.25 17.13 -3.75 -12.07 3 0 1000.00 -999 ? >THR.C 97 13.45 -5.61 -14.07 13.69 -5.88 -16.20 13.57 -5.74 -15.13 2 0 1000.00 -999 ? >HIS^C 98 13.56 -10.97 -11.88 13.09 -12.75 -10.87 13.32 -11.86 -11.38 3 0 1000.00 -999 ? >GLY^C 99 16.85 -9.83 -9.33 16.07 -10.19 -9.17 16.46 -10.01 -9.25 1 0 1000.00 -999 ? >ASP~C 100 18.53 -12.70 -5.78 18.21 -14.01 -4.16 18.37 -13.36 -4.97 2 0 1000.00 -999 ? >THR~C 101 14.40 -11.47 -3.96 12.38 -12.21 -3.74 13.39 -11.84 -3.85 2 0 1000.00 -999 ? >ASP~C 102 17.43 -12.86 -0.39 16.16 -14.40 0.23 16.80 -13.63 -0.08 2 0 1000.00 -999 ? >TYR~C 103 21.16 -8.55 -3.92 23.00 -6.47 -4.28 22.08 -7.51 -4.10 3 0 1000.00 -999 ? >LEU~C 104 15.37 -7.24 -4.43 15.47 -7.14 -6.58 15.42 -7.19 -5.51 3 0 1000.00 -999 ? >SER~C 105 15.25 -6.93 0.13 13.79 -8.88 0.25 14.52 -7.91 0.19 2 0 1000.00 -999 ? >TRP~C 106 21.48 -6.11 3.16 23.94 -4.47 0.58 22.71 -5.29 1.87 3 0 1000.00 -999 ? >LEU~C 107 18.91 -3.11 -2.44 20.52 -3.48 -3.85 19.72 -3.30 -3.14 3 0 1000.00 -999 ? >ASN~C 108 14.24 -2.70 -0.05 13.39 -2.27 -1.95 13.81 -2.48 -1.00 2 0 1000.00 -999 ? >ALA~C 109 16.37 -2.47 3.86 16.69 -3.82 4.51 16.53 -3.15 4.19 2 0 1000.00 -999 ? >SER~C 110 19.69 -0.61 3.47 21.31 -2.20 2.62 20.50 -1.40 3.05 2 0 1000.00 -999 ? >LEU~C 111 17.22 2.64 0.99 18.39 2.79 -0.83 17.80 2.71 0.08 3 0 1000.00 -999 ? >THR.D 9 42.29 -24.82 -15.48 41.28 -26.28 -16.73 41.78 -25.55 -16.11 2 0 1000.00 -999 ? >ALA.D 10 42.92 -21.12 -16.16 41.94 -20.01 -15.78 42.43 -20.57 -15.97 2 0 1000.00 -999 ? >VAL^D 11 46.61 -20.29 -16.18 48.19 -21.56 -17.01 47.40 -20.92 -16.59 3 0 1000.00 -999 ? >VAL^D 12 48.40 -17.15 -14.99 47.16 -16.80 -13.23 47.78 -16.98 -14.11 3 0 1000.00 -999 ? >VAL^D 13 51.96 -15.86 -14.83 53.42 -15.59 -16.41 52.69 -15.72 -15.62 3 0 1000.00 -999 ? >VAL^D 14 53.25 -14.30 -11.61 52.46 -14.82 -9.63 52.85 -14.56 -10.62 3 0 1000.00 -999 ? >LEU^D 15 56.08 -10.51 -12.22 56.41 -10.42 -14.35 56.24 -10.47 -13.29 3 0 1000.00 -999 ? >CYH^D 16 58.18 -11.29 -8.20 58.48 -12.15 -5.50 58.33 -11.72 -6.85 2 0 1000.00 -999 ? >THR^D 17 61.74 -10.12 -7.61 61.64 -8.03 -8.14 61.69 -9.08 -7.87 2 0 1000.00 -999 ? >ALA^D 18 64.19 -11.36 -4.98 64.42 -12.86 -4.94 64.31 -12.11 -4.96 2 0 1000.00 -999 ? >PRO.D 19 66.71 -10.63 -1.50 66.67 -9.99 -3.63 66.69 -10.31 -2.57 3 0 1000.00 -999 ? >ASP~D 20 70.68 -12.62 -3.59 69.99 -13.12 -1.67 70.34 -12.87 -2.63 2 0 1000.00 -999 ? >GLU~D 21 70.60 -17.47 -7.97 72.10 -17.68 -9.45 71.35 -17.58 -8.71 2 0 1000.00 -999 ? >ALA~D 22 69.67 -17.95 -2.79 70.63 -17.74 -1.60 70.15 -17.85 -2.19 2 0 1000.00 -999 ? >THR~D 23 66.49 -16.20 -1.71 66.13 -14.39 -0.63 66.31 -15.30 -1.17 2 0 1000.00 -999 ? >ALA~D 24 64.92 -16.66 -5.16 65.52 -16.18 -6.47 65.22 -16.42 -5.81 2 0 1000.00 -999 ? >GLN~D 25 67.65 -20.98 -6.59 69.72 -21.50 -6.60 68.68 -21.24 -6.60 2 0 1000.00 -999 ? >ASP~D 26 64.98 -20.20 -0.31 66.89 -20.93 0.29 65.93 -20.56 -0.01 2 0 1000.00 -999 ? >LEU~D 27 61.08 -17.50 -2.78 60.77 -15.75 -1.57 60.92 -16.63 -2.17 3 0 1000.00 -999 ? >ALA~D 28 60.65 -20.95 -5.54 61.56 -20.93 -6.78 61.11 -20.94 -6.16 2 0 1000.00 -999 ? >ALA~D 29 61.32 -24.35 -3.91 62.63 -24.78 -3.22 61.97 -24.56 -3.56 2 0 1000.00 -999 ? >LYS~D 30 58.82 -23.40 -1.18 58.80 -24.11 4.06 58.81 -23.76 1.44 2 0 1000.00 -999 ? >VAL~D 31 55.84 -22.57 -3.42 56.18 -20.60 -4.36 56.01 -21.59 -3.89 3 0 1000.00 -999 ? >LEU~D 32 57.88 -25.89 -6.35 58.47 -24.99 -8.24 58.18 -25.44 -7.29 3 0 1000.00 -999 ? >ALA~D 33 56.73 -27.82 -2.46 57.70 -27.63 -1.30 57.22 -27.72 -1.88 2 0 1000.00 -999 ? >GLU~D 34 53.97 -24.68 0.39 53.20 -25.51 2.16 53.58 -25.10 1.28 2 0 1000.00 -999 ? >LYS.D 35 52.13 -27.11 -4.94 51.14 -33.40 -4.95 51.64 -30.26 -4.94 2 0 1000.00 -999 ? >LEU.D 36 51.29 -22.48 -4.07 50.08 -22.41 -2.27 50.68 -22.44 -3.17 3 0 1000.00 -999 ? >ALA.D 37 53.02 -23.00 -8.42 54.17 -22.01 -8.26 53.60 -22.51 -8.34 2 0 1000.00 -999 ? >ALA.D 38 53.84 -25.55 -11.10 52.90 -25.81 -12.27 53.37 -25.68 -11.68 2 0 1000.00 -999 ? >CYH^D 39 57.11 -24.02 -12.29 58.64 -23.76 -14.63 57.88 -23.89 -13.46 2 0 1000.00 -999 ? >ALA^D 40 59.44 -21.08 -11.68 59.68 -20.90 -10.18 59.56 -20.99 -10.93 2 0 1000.00 -999 ? >THR^D 41 61.99 -19.37 -13.87 61.95 -19.25 -16.02 61.97 -19.31 -14.95 2 0 1000.00 -999 ? >LEU^D 42 65.34 -17.84 -10.93 64.32 -18.76 -9.23 64.83 -18.30 -10.08 3 0 1000.00 -999 ? >ILE^D 43 65.82 -13.77 -15.07 65.40 -13.47 -16.39 65.61 -13.62 -15.73 3 0 1000.00 -999 ? >PRO^D 44 70.65 -15.28 -12.46 69.10 -13.67 -12.37 69.88 -14.48 -12.41 3 0 1000.00 -999 ? >GLY^D 45 71.78 -10.39 -12.96 71.01 -10.24 -12.80 71.40 -10.31 -12.88 1 0 1000.00 -999 ? >ALA^D 46 69.23 -7.57 -13.01 67.77 -7.93 -13.24 68.50 -7.75 -13.13 2 0 1000.00 -999 ? >THR^D 47 68.74 -4.30 -11.18 70.36 -3.14 -12.02 69.55 -3.72 -11.60 2 0 1000.00 -999 ? >SER^D 48 65.57 -2.44 -10.28 64.39 -4.53 -9.91 64.98 -3.49 -10.10 2 0 1000.00 -999 ? >LEU^D 49 65.59 2.23 -11.31 67.22 1.98 -12.70 66.40 2.10 -12.00 3 0 1000.00 -999 ? >TYR^D 50 62.56 1.20 -6.18 63.96 0.01 -4.07 63.26 0.61 -5.12 3 0 1000.00 -999 ? >TYR^D 51 62.01 8.13 -7.01 63.50 9.77 -8.71 62.76 8.95 -7.86 3 0 1000.00 -999 ? >TRP.D 52 63.57 4.09 0.89 60.58 1.57 1.34 62.08 2.83 1.12 3 0 1000.00 -999 ? >GLU.D 53 61.96 7.21 2.53 63.09 6.57 4.21 62.52 6.89 3.37 2 0 1000.00 -999 ? >GLY.D 54 62.52 11.09 -2.40 62.96 10.46 -2.28 62.74 10.77 -2.34 1 0 1000.00 -999 ? >LYS.D 55 65.68 9.38 -3.64 71.18 8.12 -0.68 68.43 8.75 -2.16 2 0 1000.00 -999 ? >LEU^D 56 66.89 7.84 -8.09 66.77 6.80 -9.99 66.83 7.32 -9.04 3 0 1000.00 -999 ? >GLU^D 57 66.29 3.86 -3.45 68.02 4.08 -2.28 67.15 3.97 -2.87 2 0 1000.00 -999 ? >GLN^D 58 70.34 0.60 -9.99 71.30 1.38 -11.72 70.82 0.99 -10.86 2 0 1000.00 -999 ? >GLU^D 59 68.17 -1.49 -4.41 69.71 -0.96 -3.08 68.94 -1.22 -3.74 2 0 1000.00 -999 ? >TYR^D 60 73.01 -5.87 -8.01 75.23 -4.57 -9.13 74.12 -5.22 -8.57 3 0 1000.00 -999 ? >GLU^D 61 66.10 -6.53 -6.81 64.08 -5.92 -6.56 65.09 -6.22 -6.68 2 0 1000.00 -999 ? >VAL^D 62 66.53 -11.62 -9.41 67.33 -13.58 -8.88 66.93 -12.60 -9.15 3 0 1000.00 -999 ? >GLN^D 63 62.00 -10.98 -13.71 60.58 -9.77 -12.68 61.29 -10.38 -13.20 2 0 1000.00 -999 ? >MET^D 64 61.14 -14.49 -10.90 61.23 -14.93 -6.75 61.18 -14.71 -8.83 2 0 1000.00 -999 ? >ILE^D 65 58.81 -15.79 -14.78 58.76 -15.25 -16.12 58.79 -15.52 -15.45 3 0 1000.00 -999 ? >LEU^D 66 55.66 -18.05 -10.28 56.90 -17.66 -8.56 56.28 -17.86 -9.42 3 0 1000.00 -999 ? >LYS^D 67 53.37 -20.35 -13.44 57.75 -20.95 -15.35 55.56 -20.65 -14.39 2 0 1000.00 -999 ? >THR^D 68 50.22 -21.32 -11.57 49.52 -20.42 -9.71 49.87 -20.87 -10.64 2 0 1000.00 -999 ? >THR^D 69 46.44 -21.28 -12.04 45.95 -23.37 -11.80 46.19 -22.33 -11.92 2 0 1000.00 -999 ? >VAL~D 70 43.82 -18.72 -11.05 42.43 -17.53 -12.20 43.13 -18.12 -11.62 3 0 1000.00 -999 ? >SER~D 71 42.68 -21.25 -8.45 41.54 -23.02 -9.67 42.11 -22.14 -9.06 2 0 1000.00 -999 ? >HIS~D 72 46.50 -23.44 -6.74 45.65 -25.36 -6.83 46.08 -24.40 -6.78 3 0 1000.00 -999 ? >GLN~D 73 45.17 -16.00 -8.36 44.55 -14.61 -9.87 44.86 -15.31 -9.11 2 0 1000.00 -999 ? >GLN~D 74 44.02 -15.22 -2.53 43.84 -13.21 -3.21 43.93 -14.21 -2.87 2 0 1000.00 -999 ? >ALA~D 75 47.38 -18.65 -1.96 46.95 -20.11 -1.85 47.17 -19.38 -1.90 2 0 1000.00 -999 ? >LEU~D 76 50.70 -18.60 -5.57 52.66 -18.83 -6.51 51.68 -18.72 -6.04 3 0 1000.00 -999 ? >LEU~D 77 49.96 -13.68 -3.88 49.83 -13.11 -5.96 49.89 -13.39 -4.92 3 0 1000.00 -999 ? >GLU~D 78 47.69 -15.29 0.72 46.13 -16.41 1.63 46.91 -15.85 1.18 2 0 1000.00 -999 ? >CYH~D 79 52.92 -17.84 0.58 54.13 -20.37 0.23 53.52 -19.10 0.41 2 0 1000.00 -999 ? >LEU~D 80 55.38 -15.24 -2.76 56.10 -16.14 -4.57 55.74 -15.69 -3.67 3 0 1000.00 -999 ? >LYS~D 81 54.65 -12.60 0.66 51.85 -8.00 1.72 53.25 -10.30 1.19 2 0 1000.00 -999 ? >SER~D 82 55.14 -14.25 4.07 54.00 -16.40 4.07 54.57 -15.32 4.07 2 0 1000.00 -999 ? >HIS~D 83 57.79 -18.59 3.18 56.85 -20.14 4.25 57.32 -19.36 3.72 3 0 1000.00 -999 ? >HIS~D 84 59.83 -11.58 -0.65 60.94 -10.82 -2.25 60.38 -11.20 -1.45 3 0 1000.00 -999 ? >PRO.D 85 63.86 -11.48 1.30 62.14 -11.47 2.71 63.00 -11.47 2.01 3 0 1000.00 -999 ? >TYR.D 86 62.00 -7.38 -0.68 64.23 -7.21 -2.36 63.12 -7.29 -1.52 3 0 1000.00 -999 ? >GLN.D 87 58.72 -3.73 3.59 60.62 -3.85 2.60 59.67 -3.79 3.10 2 0 1000.00 -999 ? >THR.D 88 56.29 -5.49 0.46 55.00 -3.76 0.56 55.64 -4.62 0.51 2 0 1000.00 -999 ? >PRO.D 89 56.75 -9.50 -1.29 57.36 -7.41 -1.75 57.05 -8.45 -1.52 3 0 1000.00 -999 ? >GLU.D 90 56.90 -7.19 -8.58 58.30 -7.11 -10.15 57.60 -7.15 -9.36 2 0 1000.00 -999 ? >LEU.D 91 53.08 -10.18 -5.30 54.13 -11.35 -3.81 53.60 -10.77 -4.56 3 0 1000.00 -999 ? >LEU^D 92 52.34 -8.16 -10.81 52.80 -6.09 -10.42 52.57 -7.13 -10.61 3 0 1000.00 -999 ? >VAL^D 93 49.57 -11.64 -11.82 48.29 -13.04 -10.77 48.93 -12.34 -11.30 3 0 1000.00 -999 ? >LEU^D 94 50.65 -11.34 -16.46 52.19 -9.92 -15.93 51.42 -10.63 -16.20 3 0 1000.00 -999 ? >PRO^D 95 46.00 -11.41 -18.38 47.14 -12.99 -17.31 46.57 -12.20 -17.84 3 0 1000.00 -999 ? >VAL.D 96 47.45 -16.35 -20.04 48.96 -17.93 -19.85 48.21 -17.14 -19.95 3 0 1000.00 -999 ? >THR.D 97 44.84 -16.61 -22.79 44.75 -14.61 -23.62 44.80 -15.61 -23.20 2 0 1000.00 -999 ? >HIS^D 98 45.94 -20.56 -26.88 45.90 -22.24 -28.13 45.92 -21.40 -27.51 3 0 1000.00 -999 ? >GLY^D 99 49.15 -22.16 -24.73 48.45 -22.52 -25.03 48.80 -22.34 -24.88 1 0 1000.00 -999 ? >ASP~D 100 51.47 -26.30 -25.76 51.41 -28.35 -26.24 51.44 -27.33 -26.00 2 0 1000.00 -999 ? >THR~D 101 47.40 -28.05 -24.48 45.60 -28.79 -25.39 46.50 -28.42 -24.94 2 0 1000.00 -999 ? >ASP~D 102 50.85 -31.42 -23.97 49.91 -32.64 -25.41 50.38 -32.03 -24.69 2 0 1000.00 -999 ? >TYR~D 103 53.50 -26.05 -20.90 54.91 -24.69 -18.90 54.21 -25.37 -19.90 3 0 1000.00 -999 ? >LEU~D 104 47.67 -25.73 -20.70 47.56 -23.67 -21.32 47.62 -24.70 -21.01 3 0 1000.00 -999 ? >SER~D 105 47.59 -29.81 -18.74 48.22 -31.71 -20.15 47.90 -30.76 -19.45 2 0 1000.00 -999 ? >TRP~D 106 53.93 -31.92 -16.45 55.70 -28.61 -15.30 54.82 -30.27 -15.87 3 0 1000.00 -999 ? >LEU~D 107 50.46 -25.96 -15.96 51.58 -24.17 -16.27 51.02 -25.07 -16.12 3 0 1000.00 -999 ? >ASN~D 108 46.11 -28.32 -14.80 45.78 -26.53 -15.94 45.94 -27.43 -15.37 2 0 1000.00 -999 ? >ALA~D 109 48.33 -31.75 -12.92 48.83 -32.83 -13.86 48.58 -32.29 -13.39 2 0 1000.00 -999 ? >SER~D 110 51.36 -30.45 -11.01 53.10 -30.25 -12.70 52.23 -30.35 -11.85 2 0 1000.00 -999 ? >LEU~D 111 48.36 -27.00 -9.48 49.25 -25.07 -9.82 48.80 -26.04 -9.65 3 0 1000.00 -999 ? >ARG.D 112 47.01 -26.99 -2.18 48.83 -25.50 -0.22 47.92 -26.24 -1.20 2 0 1000.00 -999 ? >THR.E 9 43.60 0.46 -8.70 45.26 1.81 -9.03 44.43 1.13 -8.87 2 0 1000.00 -999 ? >ALA.E 10 44.43 -0.78 -12.20 43.54 -0.50 -13.40 43.98 -0.64 -12.80 2 0 1000.00 -999 ? >VAL^E 11 48.09 -1.37 -13.01 48.76 -2.13 -11.10 48.42 -1.75 -12.05 3 0 1000.00 -999 ? >VAL^E 12 50.07 -2.65 -15.99 49.18 -1.23 -17.42 49.63 -1.94 -16.71 3 0 1000.00 -999 ? >VAL^E 13 53.49 -3.91 -17.02 54.44 -5.72 -16.26 53.97 -4.81 -16.64 3 0 1000.00 -999 ? >VAL^E 14 55.35 -2.19 -19.84 55.17 -0.10 -20.42 55.26 -1.15 -20.13 3 0 1000.00 -999 ? >LEU^E 15 57.54 -5.40 -22.61 57.47 -7.33 -21.66 57.50 -6.36 -22.13 3 0 1000.00 -999 ? >CYH^E 16 60.65 -2.05 -23.55 61.49 0.60 -24.08 61.07 -0.73 -23.81 2 0 1000.00 -999 ? >THR^E 17 64.12 -2.90 -24.91 64.50 -4.72 -26.04 64.31 -3.81 -25.47 2 0 1000.00 -999 ? >ALA^E 18 67.18 -0.63 -24.69 67.56 0.00 -23.36 67.37 -0.31 -24.03 2 0 1000.00 -999 ? >PRO.E 19 70.24 1.38 -27.05 69.70 -0.72 -26.53 69.97 0.33 -26.79 3 0 1000.00 -999 ? >ASP~E 20 73.88 -0.09 -24.31 73.52 1.97 -24.15 73.70 0.94 -24.23 2 0 1000.00 -999 ? >GLU~E 21 74.03 -2.64 -19.15 74.63 -3.69 -20.88 74.33 -3.16 -20.01 2 0 1000.00 -999 ? >ALA~E 22 73.68 3.28 -20.13 74.83 3.99 -20.84 74.26 3.63 -20.49 2 0 1000.00 -999 ? >THR~E 23 70.60 3.93 -22.25 70.25 3.98 -24.39 70.42 3.96 -23.32 2 0 1000.00 -999 ? >ALA~E 24 68.40 1.51 -20.29 68.72 0.04 -20.10 68.56 0.77 -20.19 2 0 1000.00 -999 ? >GLN~E 25 71.11 3.45 -15.13 73.06 2.82 -14.52 72.08 3.13 -14.82 2 0 1000.00 -999 ? >ASP~E 26 69.70 7.78 -19.19 71.83 7.96 -19.04 70.76 7.87 -19.12 2 0 1000.00 -999 ? >LEU~E 27 65.68 4.88 -20.79 64.61 4.84 -22.67 65.15 4.86 -21.73 3 0 1000.00 -999 ? >ALA~E 28 64.38 4.28 -16.50 64.99 3.04 -15.84 64.68 3.66 -16.17 2 0 1000.00 -999 ? >ALA~E 29 65.71 7.03 -14.26 67.19 7.45 -14.17 66.45 7.24 -14.21 2 0 1000.00 -999 ? >LYS~E 30 63.87 9.74 -16.25 63.34 12.66 -18.47 63.60 11.20 -17.36 2 0 1000.00 -999 ? >VAL~E 31 60.45 8.01 -16.54 60.62 6.16 -17.72 60.54 7.08 -17.13 3 0 1000.00 -999 ? >LEU~E 32 62.04 6.65 -12.17 61.81 4.52 -12.13 61.93 5.58 -12.15 3 0 1000.00 -999 ? >ALA~E 33 61.66 11.07 -12.07 62.92 11.77 -12.58 62.29 11.42 -12.33 2 0 1000.00 -999 ? >GLU~E 34 59.81 12.70 -16.65 59.64 14.80 -16.44 59.72 13.75 -16.54 2 0 1000.00 -999 ? >LYS.E 35 56.65 9.91 -12.13 54.98 11.76 -7.07 55.81 10.84 -9.60 2 0 1000.00 -999 ? >LEU.E 36 55.84 8.30 -16.55 55.34 10.23 -17.43 55.59 9.27 -16.99 3 0 1000.00 -999 ? >ALA.E 37 56.55 4.62 -13.71 57.66 3.97 -14.55 57.11 4.29 -14.13 2 0 1000.00 -999 ? >ALA.E 38 56.83 3.37 -10.13 55.65 2.70 -9.44 56.24 3.03 -9.78 2 0 1000.00 -999 ? >CYH^E 39 59.57 0.80 -10.78 60.52 -1.74 -9.88 60.04 -0.47 -10.33 2 0 1000.00 -999 ? >ALA^E 40 61.72 -0.48 -13.64 62.28 0.66 -14.49 62.00 0.09 -14.07 2 0 1000.00 -999 ? >THR^E 41 63.65 -3.74 -13.77 63.13 -5.53 -12.68 63.39 -4.63 -13.23 2 0 1000.00 -999 ? >LEU^E 42 67.64 -2.92 -16.24 67.28 -0.81 -16.57 67.46 -1.87 -16.41 3 0 1000.00 -999 ? >ILE^E 43 66.67 -8.45 -17.84 65.94 -9.65 -17.51 66.31 -9.05 -17.67 3 0 1000.00 -999 ? >PRO^E 44 71.75 -6.20 -17.10 70.56 -7.12 -18.77 71.15 -6.66 -17.94 3 0 1000.00 -999 ? >GLY^E 45 72.64 -9.52 -21.72 71.95 -9.30 -21.78 72.30 -9.41 -21.75 1 0 1000.00 -999 ? >ALA^E 46 69.59 -10.29 -23.84 68.22 -9.66 -23.64 68.90 -9.98 -23.74 2 0 1000.00 -999 ? >THR^E 47 69.74 -11.13 -27.56 71.23 -12.47 -28.38 70.49 -11.80 -27.97 2 0 1000.00 -999 ? >SER^E 48 67.05 -9.91 -29.94 66.04 -8.21 -28.53 66.54 -9.06 -29.23 2 0 1000.00 -999 ? >LEU^E 49 66.46 -13.05 -33.36 68.25 -14.21 -33.00 67.36 -13.63 -33.18 3 0 1000.00 -999 ? >TYR^E 50 64.88 -7.51 -35.09 66.93 -5.63 -34.74 65.90 -6.57 -34.92 3 0 1000.00 -999 ? >TYR^E 51 63.39 -10.87 -41.02 63.76 -13.59 -41.61 63.57 -12.23 -41.31 3 0 1000.00 -999 ? >TRP^E 52 68.81 -3.30 -40.33 66.05 -0.80 -39.04 67.43 -2.05 -39.69 3 0 1000.00 -999 ? >GLU.E 53 67.35 -2.65 -43.92 69.08 -1.57 -44.48 68.22 -2.11 -44.20 2 0 1000.00 -999 ? >GLY.E 54 64.79 -8.22 -45.35 65.29 -8.12 -44.78 65.04 -8.17 -45.07 1 0 1000.00 -999 ? >LYS^E 55 67.46 -10.06 -43.38 72.49 -9.23 -46.47 69.97 -9.65 -44.93 2 0 1000.00 -999 ? >LEU^E 56 67.66 -13.25 -39.78 67.42 -14.36 -37.95 67.54 -13.81 -38.87 3 0 1000.00 -999 ? >GLU^E 57 69.96 -7.39 -38.86 72.05 -7.61 -39.00 71.00 -7.50 -38.93 2 0 1000.00 -999 ? >GLN^E 58 71.91 -12.15 -32.65 72.98 -13.98 -32.74 72.44 -13.06 -32.69 2 0 1000.00 -999 ? >GLU^E 59 71.10 -4.93 -31.51 72.46 -4.40 -33.04 71.78 -4.66 -32.28 2 0 1000.00 -999 ? >TYR^E 60 74.96 -7.89 -28.13 76.84 -9.78 -29.03 75.90 -8.84 -28.58 3 0 1000.00 -999 ? >GLU^E 61 68.82 -4.92 -27.96 66.98 -4.73 -28.95 67.90 -4.83 -28.46 2 0 1000.00 -999 ? >VAL^E 62 68.69 -4.78 -22.19 69.65 -3.53 -20.69 69.17 -4.15 -21.44 3 0 1000.00 -999 ? >GLN^E 63 63.24 -7.75 -21.22 62.09 -7.26 -22.96 62.66 -7.51 -22.09 2 0 1000.00 -999 ? >MET^E 64 63.09 -3.57 -19.48 64.23 0.21 -20.90 63.66 -1.68 -20.19 2 0 1000.00 -999 ? >ILE^E 65 60.07 -5.70 -16.61 59.63 -7.11 -16.48 59.85 -6.41 -16.54 3 0 1000.00 -999 ? >LEU^E 66 58.36 0.01 -16.89 59.82 0.86 -18.25 59.09 0.44 -17.57 3 0 1000.00 -999 ? >LYS^E 67 55.49 -1.10 -13.55 58.71 -3.87 -11.42 57.10 -2.49 -12.48 2 0 1000.00 -999 ? >THR^E 68 52.92 1.71 -13.69 52.74 3.12 -15.35 52.83 2.41 -14.52 2 0 1000.00 -999 ? >THR^E 69 49.21 2.56 -13.34 49.10 4.17 -11.90 49.15 3.36 -12.62 2 0 1000.00 -999 ? >VAL~E 70 46.70 2.49 -16.21 44.89 1.37 -16.72 45.80 1.93 -16.47 3 0 1000.00 -999 ? >SER~E 71 46.27 6.26 -15.75 46.82 6.74 -13.42 46.54 6.50 -14.59 2 0 1000.00 -999 ? >HIS~E 72 50.73 7.84 -14.44 50.14 9.18 -12.95 50.43 8.51 -13.70 3 0 1000.00 -999 ? >GLN~E 73 49.13 2.23 -20.68 47.44 0.96 -20.96 48.28 1.60 -20.82 2 0 1000.00 -999 ? >GLN~E 74 48.72 8.01 -23.90 46.79 8.39 -24.74 47.76 8.20 -24.32 2 0 1000.00 -999 ? >ALA~E 75 52.22 9.19 -20.82 51.97 10.00 -19.56 52.10 9.59 -20.19 2 0 1000.00 -999 ? >LEU~E 76 54.62 5.31 -19.03 56.25 4.12 -18.22 55.43 4.72 -18.62 3 0 1000.00 -999 ? >LEU~E 77 53.59 4.51 -24.20 52.83 2.57 -23.59 53.21 3.54 -23.90 3 0 1000.00 -999 ? >GLU~E 78 52.67 9.39 -25.30 51.17 10.86 -24.90 51.92 10.12 -25.10 2 0 1000.00 -999 ? >CYH~E 79 58.01 9.54 -22.67 59.42 10.34 -20.39 58.71 9.94 -21.53 2 0 1000.00 -999 ? >LEU~E 80 59.35 4.89 -23.06 59.65 3.75 -21.25 59.50 4.32 -22.16 3 0 1000.00 -999 ? >LYS~E 81 59.40 6.69 -27.07 56.27 5.64 -32.36 57.84 6.17 -29.72 2 0 1000.00 -999 ? >SER~E 82 60.56 10.32 -27.35 59.59 11.55 -25.48 60.08 10.93 -26.42 2 0 1000.00 -999 ? >HIS~E 83 63.23 11.24 -23.14 62.93 13.20 -22.46 63.08 12.22 -22.80 3 0 1000.00 -999 ? >HIS~E 84 64.10 3.94 -27.10 64.83 1.98 -27.12 64.46 2.96 -27.11 3 0 1000.00 -999 ? >PRO.E 85 68.30 4.66 -27.85 67.00 6.31 -28.59 67.65 5.49 -28.22 3 0 1000.00 -999 ? >TYR.E 86 65.91 1.78 -30.97 67.84 -0.17 -30.49 66.88 0.80 -30.73 3 0 1000.00 -999 ? >GLN.E 87 63.44 3.42 -35.82 65.45 3.04 -35.14 64.45 3.23 -35.48 2 0 1000.00 -999 ? >THR.E 88 60.13 2.65 -33.24 58.56 2.30 -34.69 59.35 2.48 -33.96 2 0 1000.00 -999 ? >PRO.E 89 60.91 2.93 -28.97 61.05 1.35 -30.54 60.98 2.14 -29.75 3 0 1000.00 -999 ? >GLU.E 90 59.17 -4.33 -27.23 60.10 -5.84 -26.06 59.64 -5.09 -26.65 2 0 1000.00 -999 ? >LEU^E 91 56.47 0.76 -26.72 57.72 2.29 -25.80 57.10 1.52 -26.26 3 0 1000.00 -999 ? >LEU^E 92 54.37 -4.64 -25.47 54.60 -5.54 -27.42 54.48 -5.09 -26.44 3 0 1000.00 -999 ? >VAL^E 93 51.53 -3.12 -22.32 50.52 -1.22 -21.87 51.02 -2.17 -22.09 3 0 1000.00 -999 ? >LEU^E 94 51.65 -7.29 -20.09 53.00 -8.34 -21.42 52.32 -7.81 -20.75 3 0 1000.00 -999 ? >PRO^E 95 46.61 -8.16 -19.92 47.88 -6.57 -18.99 47.25 -7.37 -19.45 3 0 1000.00 -999 ? >VAL.E 96 47.76 -7.20 -14.74 49.36 -6.49 -13.44 48.56 -6.84 -14.09 3 0 1000.00 -999 ? >THR.E 97 44.63 -8.94 -13.48 44.43 -10.63 -14.79 44.53 -9.78 -14.13 2 0 1000.00 -999 ? >HIS^E 98 45.00 -10.77 -7.93 44.77 -11.05 -5.86 44.88 -10.91 -6.90 3 0 1000.00 -999 ? >GLY^E 99 48.35 -8.19 -7.38 47.63 -8.26 -6.95 47.99 -8.22 -7.16 1 0 1000.00 -999 ? >ASP~E 100 50.58 -8.25 -3.07 50.64 -7.91 -0.99 50.61 -8.08 -2.03 2 0 1000.00 -999 ? >THR~E 101 47.22 -5.13 -2.11 45.43 -4.92 -0.89 46.32 -5.03 -1.50 2 0 1000.00 -999 ? >ASP~E 102 51.02 -4.13 0.76 49.91 -4.62 2.49 50.47 -4.37 1.63 2 0 1000.00 -999 ? >TYR~E 103 53.72 -4.57 -5.29 55.46 -3.86 -7.35 54.59 -4.21 -6.32 3 0 1000.00 -999 ? >LEU~E 104 48.18 -2.72 -5.72 47.62 -4.00 -7.36 47.90 -3.36 -6.54 3 0 1000.00 -999 ? >SER~E 105 49.09 0.60 -2.85 47.60 -0.35 -1.18 48.34 0.13 -2.02 2 0 1000.00 -999 ? >TRP~E 106 56.02 1.87 -2.29 57.47 0.50 -5.69 56.74 1.19 -3.99 3 0 1000.00 -999 ? >LEU~E 107 52.33 0.25 -7.53 52.34 -0.11 -9.65 52.33 0.07 -8.59 3 0 1000.00 -999 ? >ASN~E 108 48.49 3.52 -6.23 47.03 4.93 -6.84 47.76 4.22 -6.53 2 0 1000.00 -999 ? >ALA~E 109 51.20 6.08 -3.91 51.43 5.63 -2.47 51.32 5.85 -3.19 2 0 1000.00 -999 ? >SER~E 110 54.45 6.28 -5.89 56.05 4.50 -5.51 55.25 5.39 -5.70 2 0 1000.00 -999 ? >LEU~E 111 52.32 7.18 -10.03 53.66 5.80 -11.01 52.99 6.49 -10.52 3 0 1000.00 -999 ? >THR.F 9 44.97 -7.14 -35.19 45.20 -8.97 -36.32 45.09 -8.05 -35.75 2 0 1000.00 -999 ? >ALA.F 10 45.55 -7.76 -31.48 44.57 -8.47 -30.55 45.06 -8.11 -31.02 2 0 1000.00 -999 ? >VAL^F 11 49.12 -8.75 -30.66 50.29 -6.91 -30.82 49.71 -7.83 -30.74 3 0 1000.00 -999 ? >VAL^F 12 50.33 -11.21 -28.04 49.12 -12.89 -28.74 49.73 -12.05 -28.39 3 0 1000.00 -999 ? >VAL^F 13 53.50 -12.28 -26.30 54.72 -11.01 -25.00 54.11 -11.65 -25.65 3 0 1000.00 -999 ? >VAL^F 14 54.64 -15.90 -26.28 54.18 -17.31 -27.89 54.41 -16.60 -27.09 3 0 1000.00 -999 ? >LEU^F 15 56.50 -17.10 -22.03 56.36 -15.30 -20.85 56.43 -16.20 -21.44 3 0 1000.00 -999 ? >CYH^F 16 59.03 -20.24 -24.33 59.66 -22.17 -26.31 59.34 -21.20 -25.32 2 0 1000.00 -999 ? >THR^F 17 62.05 -21.77 -22.64 61.26 -22.17 -20.67 61.66 -21.97 -21.66 2 0 1000.00 -999 ? >ALA^F 18 64.90 -23.50 -24.46 65.46 -22.81 -25.71 65.18 -23.16 -25.08 2 0 1000.00 -999 ? >PRO.F 19 67.03 -27.29 -24.70 67.02 -25.52 -23.33 67.02 -26.41 -24.01 3 0 1000.00 -999 ? >ASP~F 20 71.56 -24.83 -24.76 71.08 -26.08 -26.41 71.32 -25.46 -25.58 2 0 1000.00 -999 ? >GLU~F 21 73.14 -19.28 -25.58 73.35 -20.23 -23.72 73.24 -19.76 -24.65 2 0 1000.00 -999 ? >ALA~F 22 71.87 -22.93 -29.97 72.80 -24.11 -30.20 72.33 -23.52 -30.08 2 0 1000.00 -999 ? >THR~F 23 68.38 -24.33 -29.42 67.70 -26.06 -28.34 68.04 -25.20 -28.88 2 0 1000.00 -999 ? >ALA~F 24 66.77 -20.98 -28.58 67.13 -20.09 -27.39 66.95 -20.54 -27.98 2 0 1000.00 -999 ? >GLN~F 25 70.72 -19.30 -33.04 70.62 -17.33 -33.81 70.67 -18.32 -33.42 2 0 1000.00 -999 ? >ASP~F 26 68.35 -23.10 -34.62 67.26 -24.79 -33.97 67.80 -23.95 -34.30 2 0 1000.00 -999 ? >LEU~F 27 63.95 -22.22 -31.25 62.89 -24.00 -30.55 63.42 -23.11 -30.90 3 0 1000.00 -999 ? >ALA~F 28 63.82 -18.14 -33.09 64.73 -17.12 -32.41 64.28 -17.63 -32.75 2 0 1000.00 -999 ? >ALA~F 29 65.27 -18.20 -36.60 66.66 -18.70 -36.94 65.97 -18.45 -36.77 2 0 1000.00 -999 ? >LYS~F 30 62.79 -20.87 -37.74 64.22 -26.77 -36.72 63.51 -23.82 -37.23 2 0 1000.00 -999 ? >VAL~F 31 59.51 -19.42 -36.47 59.46 -19.55 -34.23 59.48 -19.48 -35.35 3 0 1000.00 -999 ? >LEU~F 32 62.22 -15.44 -37.03 62.56 -13.55 -36.00 62.39 -14.49 -36.52 3 0 1000.00 -999 ? >ALA~F 33 61.72 -17.02 -41.18 62.79 -18.04 -41.56 62.26 -17.53 -41.37 2 0 1000.00 -999 ? >GLU~F 34 58.67 -21.08 -40.84 58.77 -21.74 -42.84 58.72 -21.41 -41.84 2 0 1000.00 -999 ? >LYS.F 35 56.68 -15.25 -40.63 55.46 -12.26 -45.97 56.07 -13.76 -43.30 2 0 1000.00 -999 ? >LEU.F 36 55.27 -18.29 -37.20 54.17 -19.81 -38.27 54.72 -19.05 -37.73 3 0 1000.00 -999 ? >ALA.F 37 56.79 -14.26 -35.22 57.67 -14.99 -34.21 57.23 -14.62 -34.71 2 0 1000.00 -999 ? >ALA.F 38 58.05 -10.70 -35.71 57.12 -9.50 -35.52 57.58 -10.10 -35.61 2 0 1000.00 -999 ? >CYH^F 39 60.81 -10.49 -33.06 62.30 -8.58 -31.56 61.56 -9.53 -32.31 2 0 1000.00 -999 ? >ALA^F 40 62.39 -12.76 -30.47 62.77 -14.12 -31.07 62.58 -13.44 -30.77 2 0 1000.00 -999 ? >THR^F 41 64.14 -11.85 -27.26 63.85 -10.04 -26.10 64.00 -10.94 -26.68 2 0 1000.00 -999 ? >LEU^F 42 67.36 -15.28 -26.75 66.62 -16.06 -28.64 66.99 -15.67 -27.70 3 0 1000.00 -999 ? >ILE^F 43 66.52 -13.62 -21.11 65.96 -12.57 -20.31 66.24 -13.10 -20.71 3 0 1000.00 -999 ? >PRO^F 44 71.82 -15.07 -22.15 69.93 -16.01 -21.45 70.88 -15.54 -21.80 3 0 1000.00 -999 ? >GLY^F 45 71.49 -17.55 -17.72 70.73 -17.59 -17.97 71.11 -17.57 -17.85 1 0 1000.00 -999 ? >ALA^F 46 68.05 -18.46 -16.41 66.81 -18.24 -17.27 67.43 -18.35 -16.84 2 0 1000.00 -999 ? >THR^F 47 67.15 -21.25 -13.99 68.41 -21.84 -12.32 67.78 -21.54 -13.16 2 0 1000.00 -999 ? >SER^F 48 63.83 -23.05 -13.97 63.80 -24.62 -15.81 63.81 -23.84 -14.89 2 0 1000.00 -999 ? >LEU^F 49 62.89 -24.58 -9.55 64.40 -23.32 -8.61 63.64 -23.95 -9.08 3 0 1000.00 -999 ? >TYR^F 50 60.39 -28.14 -13.67 62.29 -29.24 -15.40 61.34 -28.69 -14.53 3 0 1000.00 -999 ? >TYR^F 51 58.29 -31.19 -7.86 59.10 -30.57 -5.24 58.70 -30.88 -6.55 3 0 1000.00 -999 ? >TRP^F 52 60.71 -35.68 -15.57 58.03 -34.06 -17.95 59.37 -34.87 -16.76 3 0 1000.00 -999 ? >GLU.F 53 58.88 -38.16 -14.23 57.03 -38.80 -15.04 57.95 -38.48 -14.64 2 0 1000.00 -999 ? >GLY.F 54 57.72 -36.48 -8.30 58.31 -36.22 -8.72 58.01 -36.35 -8.51 1 0 1000.00 -999 ? >LYS^F 55 61.25 -35.10 -8.03 67.33 -35.99 -9.35 64.29 -35.54 -8.69 2 0 1000.00 -999 ? >LEU^F 56 62.83 -30.77 -6.51 62.99 -28.62 -6.26 62.91 -29.70 -6.38 3 0 1000.00 -999 ? >GLU^F 57 63.89 -32.47 -12.27 65.79 -33.37 -12.11 64.84 -32.92 -12.19 2 0 1000.00 -999 ? >GLN^F 58 68.08 -25.56 -10.30 69.07 -24.87 -8.54 68.57 -25.21 -9.42 2 0 1000.00 -999 ? >GLU^F 59 67.75 -28.76 -15.49 66.88 -29.97 -16.93 67.31 -29.36 -16.21 2 0 1000.00 -999 ? >TYR^F 60 71.56 -22.72 -18.27 71.99 -20.74 -20.21 71.78 -21.73 -19.24 3 0 1000.00 -999 ? >GLU^F 61 65.95 -24.42 -19.06 63.91 -24.89 -18.77 64.93 -24.66 -18.92 2 0 1000.00 -999 ? >VAL^F 62 67.16 -19.66 -22.03 68.42 -19.19 -23.74 67.79 -19.43 -22.88 3 0 1000.00 -999 ? >GLN^F 63 62.38 -16.04 -20.33 60.89 -17.53 -19.99 61.63 -16.79 -20.16 2 0 1000.00 -999 ? >MET^F 64 62.47 -16.66 -24.91 63.06 -19.93 -27.42 62.77 -18.29 -26.17 2 0 1000.00 -999 ? >ILE^F 65 60.21 -12.53 -24.64 59.90 -11.63 -23.52 60.05 -12.08 -24.08 3 0 1000.00 -999 ? >LEU^F 66 58.06 -15.14 -29.54 59.37 -16.82 -29.92 58.72 -15.98 -29.73 3 0 1000.00 -999 ? >LYS^F 67 56.06 -11.09 -30.26 59.71 -8.26 -28.74 57.89 -9.67 -29.50 2 0 1000.00 -999 ? >THR^F 68 53.34 -12.06 -32.75 52.72 -14.11 -33.16 53.03 -13.08 -32.96 2 0 1000.00 -999 ? >THR^F 69 49.65 -11.55 -33.62 49.66 -11.07 -35.72 49.66 -11.31 -34.67 2 0 1000.00 -999 ? >VAL.F 70 46.53 -13.30 -32.33 44.79 -12.79 -31.10 45.66 -13.04 -31.72 3 0 1000.00 -999 ? >SER.F 71 45.89 -14.61 -35.84 46.45 -12.70 -37.25 46.17 -13.66 -36.54 2 0 1000.00 -999 ? >HIS~F 72 50.40 -14.97 -37.63 50.15 -14.50 -39.66 50.27 -14.73 -38.64 3 0 1000.00 -999 ? >GLN~F 73 47.34 -17.17 -31.27 46.12 -16.68 -29.60 46.73 -16.93 -30.44 2 0 1000.00 -999 ? >GLN~F 74 46.51 -22.74 -33.52 47.11 -23.81 -31.78 46.81 -23.27 -32.65 2 0 1000.00 -999 ? >ALA~F 75 50.55 -21.57 -35.96 50.54 -20.76 -37.27 50.55 -21.17 -36.61 2 0 1000.00 -999 ? >LEU~F 76 53.56 -18.90 -33.25 55.33 -17.90 -32.54 54.45 -18.40 -32.89 3 0 1000.00 -999 ? >LEU~F 77 51.77 -22.60 -30.03 51.21 -21.00 -28.69 51.49 -21.80 -29.36 3 0 1000.00 -999 ? >GLU~F 78 50.24 -26.13 -33.95 48.74 -25.82 -35.41 49.49 -25.97 -34.68 2 0 1000.00 -999 ? >CYH~F 79 55.85 -24.61 -35.10 57.61 -23.28 -36.85 56.73 -23.95 -35.98 2 0 1000.00 -999 ? >LEU~F 80 57.55 -23.11 -30.79 58.32 -21.10 -30.64 57.94 -22.10 -30.71 3 0 1000.00 -999 ? >LYS~F 81 56.31 -27.37 -30.54 52.62 -30.35 -27.88 54.47 -28.86 -29.21 2 0 1000.00 -999 ? >SER~F 82 57.52 -29.63 -33.37 57.00 -28.35 -35.37 57.26 -28.99 -34.37 2 0 1000.00 -999 ? >HIS~F 83 60.87 -26.97 -35.77 60.39 -27.13 -37.81 60.63 -27.05 -36.79 3 0 1000.00 -999 ? >HIS~F 84 61.10 -27.01 -27.48 61.89 -26.17 -25.73 61.49 -26.59 -26.61 3 0 1000.00 -999 ? >PRO.F 85 65.15 -28.93 -27.66 63.54 -30.13 -28.63 64.35 -29.53 -28.14 3 0 1000.00 -999 ? >TYR.F 86 62.40 -29.49 -23.46 64.47 -28.52 -21.84 63.44 -29.01 -22.65 3 0 1000.00 -999 ? >GLN.F 87 57.93 -34.28 -23.05 59.43 -33.21 -21.94 58.68 -33.75 -22.49 2 0 1000.00 -999 ? >THR.F 88 56.28 -30.69 -23.66 54.59 -31.57 -22.66 55.43 -31.13 -23.16 2 0 1000.00 -999 ? >PRO.F 89 57.78 -27.32 -26.02 57.73 -27.94 -23.89 57.75 -27.63 -24.95 3 0 1000.00 -999 ? >GLU.F 90 56.69 -22.02 -20.72 57.86 -20.76 -19.53 57.28 -21.39 -20.13 2 0 1000.00 -999 ? >LEU.F 91 53.99 -23.40 -25.75 55.30 -23.84 -27.41 54.65 -23.62 -26.58 3 0 1000.00 -999 ? >LEU^F 92 52.57 -19.39 -21.59 52.28 -20.76 -19.93 52.43 -20.08 -20.76 3 0 1000.00 -999 ? >VAL^F 93 50.41 -16.83 -24.68 49.49 -17.15 -26.64 49.95 -16.99 -25.66 3 0 1000.00 -999 ? >LEU^F 94 51.13 -12.88 -22.09 52.34 -13.87 -20.61 51.74 -13.38 -21.35 3 0 1000.00 -999 ? >PRO^F 95 46.35 -11.15 -22.32 47.93 -11.36 -23.88 47.14 -11.26 -23.10 3 0 1000.00 -999 ? >VAL.F 96 48.93 -7.42 -25.16 50.66 -6.78 -26.31 49.79 -7.10 -25.74 3 0 1000.00 -999 ? >THR.F 97 46.34 -4.86 -24.14 45.91 -3.82 -22.31 46.13 -4.34 -23.23 2 0 1000.00 -999 ? >HIS^F 98 47.03 0.54 -25.76 46.41 2.08 -27.05 46.72 1.31 -26.40 3 0 1000.00 -999 ? >GLY^F 99 51.28 -0.55 -27.06 50.64 -0.03 -27.34 50.96 -0.29 -27.20 1 0 1000.00 -999 ? >ASP~F 100 54.35 2.34 -29.37 54.77 3.77 -30.83 54.56 3.06 -30.10 2 0 1000.00 -999 ? >THR~F 101 50.83 2.46 -32.40 49.23 3.79 -33.01 50.03 3.13 -32.71 2 0 1000.00 -999 ? >ASP~F 102 54.99 3.45 -34.75 54.27 5.34 -35.38 54.63 4.40 -35.07 2 0 1000.00 -999 ? >TYR~F 103 56.61 -1.99 -31.22 57.74 -4.52 -30.88 57.18 -3.25 -31.05 3 0 1000.00 -999 ? >LEU~F 104 50.81 -1.66 -32.54 50.30 -2.22 -30.49 50.56 -1.94 -31.51 3 0 1000.00 -999 ? >SER~F 105 51.78 -1.50 -36.95 50.85 0.77 -37.11 51.31 -0.37 -37.03 2 0 1000.00 -999 ? >TRP~F 106 58.52 -2.98 -38.45 59.71 -5.57 -35.73 59.12 -4.28 -37.09 3 0 1000.00 -999 ? >LEU~F 107 53.85 -5.96 -34.23 54.90 -6.62 -32.46 54.38 -6.29 -33.35 3 0 1000.00 -999 ? >ASN~F 108 50.14 -5.74 -37.87 48.79 -6.27 -36.30 49.47 -6.01 -37.09 2 0 1000.00 -999 ? >ALA~F 109 53.28 -5.61 -41.06 53.84 -4.21 -41.34 53.56 -4.91 -41.20 2 0 1000.00 -999 ? >SER~F 110 56.04 -8.18 -40.40 57.61 -7.07 -38.91 56.82 -7.62 -39.65 2 0 1000.00 -999 ? >LEU.F 111 52.76 -11.44 -39.46 53.68 -11.86 -37.54 53.22 -11.65 -38.50 3 0 1000.00 -999 ?