REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-SEP-06 2IDG COMPND HYPOTHETICAL PROTEIN AF0160; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF_0160; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR M.ZHAO,M.ZHANG,J.CHANG,L.CHEN,H.XU,Y.LI,Z.J.LIU,J.P.ROSE, AUTHOR 2 B.C.WANG,SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS AUTHOR 3 (SECSG) HET MSE A 1 5 HET MSE A 60 8 HET MSE A 72 8 HET MSE A 98 8 HET MSE A 112 8 HET MSE B 1 8 HET MSE B 60 8 HET MSE B 72 8 HET MSE B 98 8 HET MSE B 112 5 HET MSE C 1 8 HET MSE C 60 8 HET MSE C 72 7 HET MSE C 98 8 HET MSE C 112 8 >THR.A 2 28.24 9.26 9.36 29.30 7.56 8.50 28.77 8.41 8.93 2 0 1000.00 -999 ? >GLY.A 4 26.83 11.72 13.28 26.69 10.88 13.56 26.76 11.30 13.42 1 0 1000.00 -999 ? >ARG.A 5 23.92 8.69 8.34 23.60 5.64 8.28 23.76 7.17 8.31 2 0 1000.00 -999 ? >ALA.A 6 25.54 6.74 14.81 26.93 6.10 14.75 26.24 6.42 14.78 2 0 1000.00 -999 ? >LYS.A 7 25.58 9.24 17.67 28.18 14.19 20.73 26.88 11.71 19.20 2 0 1000.00 -999 ? >VAL.A 8 21.92 10.15 17.16 20.88 11.72 15.98 21.40 10.93 16.57 3 0 1000.00 -999 ? >TYR.A 9 20.39 5.50 14.60 19.07 5.55 12.11 19.73 5.52 13.36 3 0 1000.00 -999 ? >ALA.A 10 22.68 5.44 20.13 24.19 5.52 20.34 23.44 5.48 20.24 2 0 1000.00 -999 ? >THR.A 11 21.33 8.48 22.05 22.00 10.52 22.06 21.67 9.50 22.06 2 0 1000.00 -999 ? >LEU.A 12 17.24 8.00 19.46 16.36 9.87 18.72 16.80 8.93 19.09 3 0 1000.00 -999 ? >SER.A 13 18.06 4.27 21.89 18.91 2.02 21.91 18.49 3.15 21.90 2 0 1000.00 -999 ? >ILE.A 15 16.33 8.98 25.07 16.25 10.31 24.79 16.29 9.65 24.93 3 0 1000.00 -999 ? >PHE.A 16 12.75 5.70 22.82 11.45 7.57 21.21 12.10 6.64 22.02 3 0 1000.00 -999 ? >TYR.A 17 17.14 0.88 27.92 17.76 -1.29 29.62 17.45 -0.20 28.77 3 0 1000.00 -999 ? >HIS.A 18 17.71 6.31 30.49 19.72 6.01 31.02 18.71 6.16 30.76 3 0 1000.00 -999 ? >LEU.A 19 11.27 6.86 28.37 11.50 9.04 28.21 11.38 7.95 28.29 3 0 1000.00 -999 ? >PHE.A 20 10.91 -0.03 28.81 9.66 -2.55 28.67 10.28 -1.29 28.74 3 0 1000.00 -999 ? >TYR.A 21 13.64 0.45 32.70 13.88 -2.22 31.90 13.76 -0.89 32.30 3 0 1000.00 -999 ? >ASP.A 22 9.93 6.05 34.81 8.07 5.13 34.42 9.00 5.59 34.61 2 0 1000.00 -999 ? >GLU.A 23 16.47 4.62 34.87 17.43 3.00 33.89 16.95 3.81 34.38 2 0 1000.00 -999 ? >ALA.A 24 15.55 10.13 34.03 15.87 11.06 35.16 15.71 10.59 34.59 2 0 1000.00 -999 ? >ILE.A 25 16.72 11.90 29.74 16.42 10.83 28.88 16.57 11.37 29.31 3 0 1000.00 -999 ? >PRO~A 26 21.61 9.86 31.50 20.39 11.74 31.63 21.00 10.80 31.56 3 0 1000.00 -999 ? >LYS~A 27 21.17 15.80 30.99 20.67 19.89 34.98 20.92 17.84 32.99 2 0 1000.00 -999 ? >ASP~A 28 25.19 13.92 29.13 26.53 13.57 27.57 25.86 13.74 28.35 2 0 1000.00 -999 ? >CYH~A 29 21.71 12.80 26.52 22.05 10.09 26.53 21.88 11.45 26.53 2 0 1000.00 -999 ? >ARG~A 30 17.76 16.49 30.35 14.72 16.13 30.79 16.24 16.31 30.57 2 0 1000.00 -999 ? >GLU~A 31 23.53 18.83 27.55 25.49 19.29 28.28 24.51 19.06 27.92 2 0 1000.00 -999 ? >ILE~A 32 23.14 14.45 22.31 23.97 13.40 22.11 23.55 13.92 22.21 3 0 1000.00 -999 ? >ILE~A 33 17.98 14.99 21.82 17.69 14.20 20.67 17.84 14.59 21.25 3 0 1000.00 -999 ? >GLU~A 34 17.17 19.49 24.73 17.04 20.47 26.58 17.10 19.98 25.65 2 0 1000.00 -999 ? >LYS~A 35 21.06 20.62 20.11 26.49 18.12 21.90 23.77 19.37 21.00 2 0 1000.00 -999 ? >PHE.A 36 19.17 17.80 16.46 21.26 16.13 15.64 20.22 16.97 16.05 3 0 1000.00 -999 ? >GLY.A 37 16.17 22.64 18.90 16.39 21.95 19.29 16.28 22.29 19.09 1 0 1000.00 -999 ? >GLU.A 38 14.79 24.75 23.09 14.17 26.40 24.29 14.48 25.57 23.69 2 0 1000.00 -999 ? >ILE.A 39 12.09 18.25 21.83 12.67 17.35 21.02 12.38 17.80 21.43 3 0 1000.00 -999 ? >ASP.A 40 9.35 18.30 26.60 7.53 17.42 26.01 8.44 17.86 26.31 2 0 1000.00 -999 ? >PHE.A 41 13.47 14.20 26.81 15.60 15.19 25.26 14.53 14.69 26.03 3 0 1000.00 -999 ? >ASN.A 42 6.93 15.36 29.45 5.41 15.16 30.96 6.17 15.26 30.21 2 0 1000.00 -999 ? >LEU.A 43 6.90 9.85 26.94 6.87 10.59 24.93 6.88 10.22 25.94 3 0 1000.00 -999 ? >SER~A 45 6.68 4.19 30.74 6.57 3.75 33.12 6.63 3.97 31.93 2 0 1000.00 -999 ? >VAL~A 46 3.09 2.95 30.44 1.25 2.97 31.67 2.17 2.96 31.06 3 0 1000.00 -999 ? >LEU~A 47 3.00 5.90 26.52 2.89 6.76 24.52 2.95 6.33 25.52 3 0 1000.00 -999 ? >VAL~A 48 6.64 3.79 26.04 8.50 4.94 26.34 7.57 4.36 26.19 3 0 1000.00 -999 ? >GLU.A 50 1.78 -0.58 25.60 2.02 -2.70 25.81 1.90 -1.64 25.71 2 0 1000.00 -999 ? >LEU.A 51 6.88 2.61 21.55 6.10 4.64 21.94 6.49 3.62 21.74 3 0 1000.00 -999 ? >ARG~A 52 7.06 -4.56 22.30 5.51 -7.21 21.94 6.28 -5.89 22.12 2 0 1000.00 -999 ? >GLY~A 53 6.33 -2.60 15.84 5.91 -2.93 16.49 6.12 -2.76 16.17 1 0 1000.00 -999 ? >SER~A 54 3.80 -5.42 16.33 4.30 -6.81 18.25 4.05 -6.11 17.29 2 0 1000.00 -999 ? >VAL~A 55 1.58 -3.19 18.51 1.54 -2.79 20.66 1.56 -2.99 19.58 3 0 1000.00 -999 ? >LEU~A 56 3.21 0.90 16.63 3.76 2.39 18.05 3.48 1.65 17.34 3 0 1000.00 -999 ? >ILE~A 57 2.82 -1.93 12.19 3.91 -2.00 11.39 3.37 -1.96 11.79 3 0 1000.00 -999 ? >LYS.A 58 -2.11 -1.61 12.92 -1.31 1.87 16.67 -1.71 0.13 14.79 2 0 1000.00 -999 ? >ASP.A 59 -1.82 -2.11 8.13 -3.27 -0.75 7.42 -2.54 -1.43 7.77 2 0 1000.00 -999 ? >MET?A 60 -0.14 -5.88 10.41 3.39 -6.95 12.54 1.62 -6.42 11.48 2 0 1000.00 -999 ? >PRO~A 61 -0.05 -9.31 7.91 -1.32 -8.64 9.61 -0.69 -8.97 8.76 3 0 1000.00 -999 ? >GLN~A 62 -3.74 -11.32 14.95 -4.71 -12.93 15.96 -4.22 -12.12 15.45 2 0 1000.00 -999 ? >SER~A 63 -0.33 -14.24 11.69 -2.00 -15.02 10.17 -1.16 -14.63 10.93 2 0 1000.00 -999 ? >LEU~A 64 2.92 -11.05 10.12 4.80 -10.10 9.44 3.86 -10.57 9.78 3 0 1000.00 -999 ? >ALA~A 65 2.05 -10.24 14.48 0.79 -9.51 14.83 1.42 -9.88 14.66 2 0 1000.00 -999 ? >GLU~A 66 0.80 -15.23 15.64 -1.27 -15.76 15.71 -0.24 -15.49 15.67 2 0 1000.00 -999 ? >VAL~A 67 5.82 -14.20 15.07 5.42 -15.65 13.43 5.62 -14.93 14.25 3 0 1000.00 -999 ? >TYR~A 68 6.93 -8.23 13.91 7.98 -6.03 12.55 7.46 -7.13 13.23 3 0 1000.00 -999 ? >GLU~A 69 10.27 -10.74 19.92 9.60 -10.44 21.89 9.94 -10.59 20.91 2 0 1000.00 -999 ? >SER~A 70 11.00 -13.97 16.21 10.96 -16.35 15.69 10.98 -15.16 15.95 2 0 1000.00 -999 ? >VAL~A 71 11.29 -12.26 12.78 10.00 -11.66 11.07 10.65 -11.96 11.93 3 0 1000.00 -999 ? >MET?A 72 13.19 -9.36 14.38 11.69 -6.50 13.46 12.44 -7.93 13.92 2 0 1000.00 -999 ? >LYS~A 73 15.59 -11.73 16.23 12.64 -14.82 20.55 14.11 -13.28 18.39 2 0 1000.00 -999 ? >ASP~A 74 15.32 -13.82 11.82 14.42 -15.65 12.37 14.87 -14.73 12.10 2 0 1000.00 -999 ? >PHE~A 75 17.04 -7.86 10.05 17.81 -6.11 7.99 17.42 -6.98 9.02 3 0 1000.00 -999 ? >TYR~A 76 18.06 -8.01 16.03 16.30 -5.87 16.43 17.18 -6.94 16.23 3 0 1000.00 -999 ? >GLU~A 77 20.43 -14.31 16.50 19.42 -16.10 17.23 19.92 -15.21 16.87 2 0 1000.00 -999 ? >ARG~A 78 20.98 -11.84 7.28 21.12 -11.10 4.28 21.05 -11.47 5.78 2 0 1000.00 -999 ? >TYR~A 79 23.24 -7.91 9.86 22.59 -7.96 7.15 22.91 -7.93 8.51 3 0 1000.00 -999 ? >GLY.A 80 25.81 -10.53 14.88 25.24 -9.90 14.74 25.52 -10.21 14.81 1 0 1000.00 -999 ? >PHE.A 81 22.19 -6.20 17.28 20.83 -4.60 19.12 21.51 -5.40 18.20 3 0 1000.00 -999 ? >ALA.A 83 19.12 -7.44 21.93 17.68 -8.04 21.94 18.40 -7.74 21.94 2 0 1000.00 -999 ? >SER.A 84 18.82 -6.10 25.47 17.38 -4.12 25.32 18.10 -5.11 25.40 2 0 1000.00 -999 ? >GLU.A 85 15.55 -6.20 29.83 16.93 -4.56 29.94 16.24 -5.38 29.88 2 0 1000.00 -999 ? >LEU.A 86 13.43 -4.13 25.49 13.40 -2.43 26.89 13.41 -3.28 26.19 3 0 1000.00 -999 ? >HIS.A 87 8.82 -7.54 23.97 7.68 -8.67 25.31 8.25 -8.11 24.64 3 0 1000.00 -999 ? >ALA.A 88 13.06 -7.32 19.84 13.33 -8.58 19.09 13.20 -7.95 19.47 2 0 1000.00 -999 ? >ASP.A 89 9.23 -5.61 17.48 7.72 -6.06 18.89 8.48 -5.84 18.19 2 0 1000.00 -999 ? >HIS~A 90 10.64 -1.26 23.00 10.17 0.49 24.05 10.40 -0.39 23.52 3 0 1000.00 -999 ? >ILE~A 91 10.93 2.36 19.30 10.71 3.75 19.48 10.82 3.05 19.39 3 0 1000.00 -999 ? >ALA~A 92 14.68 1.19 21.65 14.57 1.14 23.18 14.63 1.16 22.41 2 0 1000.00 -999 ? >VAL~A 93 16.11 -2.11 20.42 15.89 -4.17 21.13 16.00 -3.14 20.78 3 0 1000.00 -999 ? >GLU~A 94 13.22 -2.24 16.09 11.56 -2.08 14.76 12.39 -2.16 15.42 2 0 1000.00 -999 ? >LEU~A 95 16.79 3.13 18.08 15.48 4.71 17.52 16.14 3.92 17.80 3 0 1000.00 -999 ? >ALA~A 96 20.14 0.26 18.98 20.10 -0.51 20.31 20.12 -0.12 19.64 2 0 1000.00 -999 ? >PHE~A 97 19.83 -3.85 14.31 20.65 -5.26 12.06 20.24 -4.55 13.18 3 0 1000.00 -999 ? >MET?A 98 20.82 0.69 13.65 19.24 0.94 10.57 20.03 0.82 12.11 2 0 1000.00 -999 ? >SER~A 99 23.62 2.33 15.68 23.68 2.18 18.14 23.65 2.26 16.91 2 0 1000.00 -999 ? >LYS~A 100 25.52 -0.97 15.66 27.27 -1.69 19.76 26.39 -1.33 17.71 2 0 1000.00 -999 ? >LEU~A 101 23.95 -1.24 11.07 23.25 -3.24 10.49 23.60 -2.24 10.78 3 0 1000.00 -999 ? >VAL~A 102 26.20 2.58 11.51 25.06 4.42 11.34 25.63 3.50 11.42 3 0 1000.00 -999 ? >GLU~A 103 29.17 0.76 16.01 28.97 0.79 18.13 29.07 0.78 17.07 2 0 1000.00 -999 ? >ARG~A 104 28.84 -4.09 12.93 27.91 -6.40 14.70 28.38 -5.25 13.82 2 0 1000.00 -999 ? >GLU~A 105 28.84 3.09 7.31 27.03 4.10 6.85 27.93 3.60 7.08 2 0 1000.00 -999 ? >ILE~A 106 32.56 4.63 11.80 32.31 5.49 12.86 32.44 5.06 12.33 3 0 1000.00 -999 ? >SER~A 107 35.13 1.36 10.74 36.07 -0.70 11.59 35.60 0.33 11.17 2 0 1000.00 -999 ? >LEU~A 108 33.24 -0.26 6.60 32.61 -2.33 6.84 32.93 -1.30 6.72 3 0 1000.00 -999 ? >ALA~A 109 34.66 4.02 5.95 33.77 5.17 6.42 34.21 4.60 6.19 2 0 1000.00 -999 ? >GLN~A 110 37.50 5.38 10.20 37.53 5.03 12.29 37.51 5.20 11.25 2 0 1000.00 -999 ? >GLN~A 111 39.17 -0.56 8.09 38.08 -2.33 8.64 38.63 -1.45 8.36 2 0 1000.00 -999 ? >MET?A 112 38.41 1.41 2.56 41.47 3.93 1.90 39.94 2.67 2.23 2 0 1000.00 -999 ? >LYS~A 113 36.08 -1.54 2.36 39.38 -5.25 5.50 37.73 -3.39 3.93 2 0 1000.00 -999 ? >GLU~A 116 33.01 -5.91 3.23 34.95 -5.87 2.42 33.98 -5.89 2.83 2 0 1000.00 -999 ? >LEU~A 117 31.24 0.69 2.43 31.01 2.75 2.92 31.13 1.72 2.68 3 0 1000.00 -999 ? >TYR~A 118 26.52 -1.13 -2.12 24.13 -1.19 -3.60 25.33 -1.16 -2.86 3 0 1000.00 -999 ? >LYS~A 119 26.43 -4.14 1.65 29.81 -9.17 0.76 28.12 -6.66 1.21 2 0 1000.00 -999 ? >ILE~A 120 27.41 -2.21 6.06 27.51 -2.22 6.95 27.46 -2.22 6.51 3 0 1000.00 -999 ? >ARG~A 121 26.33 3.68 2.87 28.92 5.36 2.71 27.62 4.52 2.79 2 0 1000.00 -999 ? >ALA~A 122 21.97 -1.74 1.94 22.36 -2.73 0.86 22.16 -2.23 1.40 2 0 1000.00 -999 ? >ALA~A 123 21.25 -3.72 5.14 22.27 -4.52 5.95 21.76 -4.12 5.55 2 0 1000.00 -999 ? >GLN~A 124 22.72 0.41 8.02 24.08 2.03 8.14 23.40 1.22 8.08 2 0 1000.00 -999 ? >HIS~A 125 17.36 1.69 2.11 15.72 2.48 1.07 16.54 2.09 1.59 3 0 1000.00 -999 ? >ARG~A 126 16.50 -6.60 3.27 18.59 -8.07 4.99 17.54 -7.33 4.13 2 0 1000.00 -999 ? >PHE~A 127 16.57 -2.78 10.38 15.65 -3.15 13.01 16.11 -2.96 11.70 3 0 1000.00 -999 ? >ILE~A 128 15.23 2.22 7.38 15.63 3.68 7.77 15.43 2.95 7.57 3 0 1000.00 -999 ? >ALA~A 130 10.83 -3.08 6.41 11.64 -4.40 6.33 11.23 -3.74 6.37 2 0 1000.00 -999 ? >HIS~A 131 11.74 -4.78 10.35 11.63 -6.76 9.65 11.68 -5.77 10.00 3 0 1000.00 -999 ? >LEU~A 132 13.31 1.36 11.77 14.05 2.63 13.38 13.68 1.99 12.58 3 0 1000.00 -999 ? >GLN~A 133 9.54 4.85 7.36 10.30 5.65 5.54 9.92 5.25 6.45 2 0 1000.00 -999 ? >PRO~A 134 7.65 -0.30 8.05 7.43 1.52 9.34 7.54 0.61 8.69 3 0 1000.00 -999 ? >LEU~A 135 8.29 1.00 14.18 8.74 1.28 16.37 8.52 1.14 15.28 3 0 1000.00 -999 ? >VAL~A 136 7.89 5.33 13.37 9.99 5.82 12.89 8.94 5.57 13.13 3 0 1000.00 -999 ? >LYS~A 137 5.16 6.30 10.82 7.18 9.39 7.62 6.17 7.84 9.22 2 0 1000.00 -999 ? >ASN~A 138 2.42 3.45 13.46 1.62 2.80 11.59 2.02 3.12 12.53 2 0 1000.00 -999 ? >LEU.A 139 5.25 7.45 16.84 7.20 6.57 17.21 6.23 7.01 17.03 3 0 1000.00 -999 ? >PRO.A 140 1.47 7.57 20.13 1.86 8.64 18.17 1.67 8.10 19.15 3 0 1000.00 -999 ? >SER.A 141 2.09 12.92 18.06 1.84 15.18 17.26 1.96 14.05 17.66 2 0 1000.00 -999 ? >ALA~A 142 4.59 14.23 20.61 4.68 13.17 21.68 4.64 13.70 21.14 2 0 1000.00 -999 ? >PRO~A 143 6.82 17.71 21.94 7.19 15.99 20.57 7.01 16.85 21.25 3 0 1000.00 -999 ? >LEU~A 144 10.60 12.67 22.34 12.24 11.23 22.75 11.42 11.95 22.55 3 0 1000.00 -999 ? >LEU~A 145 6.93 10.41 19.19 6.42 9.03 20.80 6.67 9.72 20.00 3 0 1000.00 -999 ? >ASN~A 146 7.38 14.86 16.10 5.27 14.79 16.38 6.32 14.82 16.24 2 0 1000.00 -999 ? >PHE~A 147 14.12 14.38 17.18 16.84 14.35 16.61 15.48 14.37 16.90 3 0 1000.00 -999 ? >VAL~A 148 12.42 10.25 15.80 12.42 8.65 17.31 12.42 9.45 16.56 3 0 1000.00 -999 ? >ARG~A 149 6.17 10.62 11.90 4.79 11.23 14.57 5.48 10.92 13.24 2 0 1000.00 -999 ? >ASP~A 150 11.74 14.45 11.50 9.84 15.43 11.52 10.79 14.94 11.51 2 0 1000.00 -999 ? >PHE~A 151 17.06 10.76 13.11 19.59 9.54 12.98 18.32 10.15 13.05 3 0 1000.00 -999 ? >VAL~A 152 14.35 8.15 10.47 13.70 6.24 11.36 14.03 7.19 10.92 3 0 1000.00 -999 ? >ARG~A 153 9.53 11.69 6.03 9.39 13.84 8.22 9.46 12.77 7.12 2 0 1000.00 -999 ? >GLU~A 154 14.81 14.18 6.98 13.93 14.77 5.11 14.37 14.48 6.05 2 0 1000.00 -999 ? >ASP~A 155 18.12 8.19 8.35 20.10 7.47 8.57 19.11 7.83 8.46 2 0 1000.00 -999 ? >ALA~A 156 15.97 6.68 4.63 14.50 6.33 4.74 15.23 6.50 4.68 2 0 1000.00 -999 ? >LYS~A 157 16.25 9.37 1.93 11.76 13.66 2.80 14.01 11.52 2.36 2 0 1000.00 -999 ? >TYR~A 158 22.01 9.67 4.14 24.70 8.97 4.22 23.36 9.32 4.18 3 0 1000.00 -999 ? >LEU~A 159 20.26 4.95 3.50 21.25 4.36 5.39 20.75 4.65 4.44 3 0 1000.00 -999 ? >TYR~A 160 17.00 5.38 -2.57 15.78 4.05 -4.76 16.39 4.71 -3.66 3 0 1000.00 -999 ? >SER~B 0 -10.27 -0.63 -21.99 -10.89 -0.16 -24.36 -10.58 -0.40 -23.17 2 0 1000.00 -999 ? >MET?B 1 -7.25 -0.85 -19.64 -3.96 1.54 -18.62 -5.60 0.35 -19.13 2 0 1000.00 -999 ? >THR~B 2 -8.98 -3.04 -17.01 -10.19 -2.24 -15.46 -9.58 -2.64 -16.24 2 0 1000.00 -999 ? >ILE~B 3 -11.15 -5.38 -20.66 -12.36 -5.71 -21.46 -11.76 -5.54 -21.06 3 0 1000.00 -999 ? >GLY~B 4 -6.65 -5.93 -20.55 -6.87 -5.95 -19.78 -6.76 -5.94 -20.16 1 0 1000.00 -999 ? >ARG~B 5 -4.66 -2.51 -15.22 -5.32 -3.46 -12.37 -4.99 -2.99 -13.79 2 0 1000.00 -999 ? >ALA~B 6 -7.36 -8.81 -16.17 -8.84 -8.70 -16.01 -8.10 -8.76 -16.09 2 0 1000.00 -999 ? >LYS~B 7 -6.78 -10.85 -19.32 -7.81 -11.78 -25.73 -7.30 -11.32 -22.53 2 0 1000.00 -999 ? >VAL~B 8 -3.02 -10.73 -18.91 -1.46 -9.32 -19.63 -2.24 -10.02 -19.27 3 0 1000.00 -999 ? >TYR~B 9 -2.90 -10.06 -13.44 -1.48 -7.93 -12.27 -2.19 -8.99 -12.86 3 0 1000.00 -999 ? >ALA~B 10 -5.53 -14.76 -15.93 -6.96 -14.70 -16.44 -6.24 -14.73 -16.18 2 0 1000.00 -999 ? >THR~B 11 -3.38 -15.88 -18.89 -3.35 -15.18 -20.89 -3.37 -15.53 -19.89 2 0 1000.00 -999 ? >LEU~B 12 0.58 -14.48 -16.48 1.96 -13.25 -17.64 1.27 -13.86 -17.06 3 0 1000.00 -999 ? >SER~B 13 -1.72 -17.56 -14.18 -3.37 -18.18 -12.55 -2.54 -17.87 -13.37 2 0 1000.00 -999 ? >ILE~B 15 1.19 -19.52 -18.93 1.71 -18.84 -19.98 1.45 -19.18 -19.46 3 0 1000.00 -999 ? >PHE~B 16 3.68 -19.10 -14.22 5.65 -17.26 -14.99 4.66 -18.18 -14.61 3 0 1000.00 -999 ? >TYR~B 17 -2.54 -24.42 -12.87 -3.95 -26.52 -11.65 -3.25 -25.47 -12.26 3 0 1000.00 -999 ? >HIS~B 18 -1.45 -25.17 -18.73 -3.49 -25.37 -19.13 -2.47 -25.27 -18.93 3 0 1000.00 -999 ? >LEU~B 19 4.93 -24.17 -16.66 5.51 -23.46 -18.67 5.22 -23.81 -17.67 3 0 1000.00 -999 ? >PHE~B 20 2.95 -26.67 -10.55 3.30 -27.54 -7.89 3.12 -27.11 -9.22 3 0 1000.00 -999 ? >TYR~B 21 0.41 -30.32 -12.77 -0.73 -30.02 -10.26 -0.16 -30.17 -11.51 3 0 1000.00 -999 ? >ASP.B 22 5.70 -31.23 -17.12 7.29 -31.22 -18.56 6.49 -31.22 -17.84 2 0 1000.00 -999 ? >GLU.B 23 -0.07 -30.08 -17.93 -2.06 -29.78 -17.22 -1.06 -29.93 -17.57 2 0 1000.00 -999 ? >ALA.B 24 1.96 -27.57 -22.91 1.91 -28.16 -24.28 1.94 -27.86 -23.60 2 0 1000.00 -999 ? >ILE.B 25 1.74 -22.85 -23.51 1.76 -22.23 -22.28 1.75 -22.54 -22.90 3 0 1000.00 -999 ? >PRO~B 26 -3.35 -24.51 -22.53 -2.09 -24.17 -24.35 -2.72 -24.34 -23.44 3 0 1000.00 -999 ? >LYS~B 27 -3.16 -22.50 -28.13 -3.95 -21.50 -33.31 -3.56 -22.00 -30.72 2 0 1000.00 -999 ? >ASP~B 28 -6.43 -19.90 -25.76 -8.09 -20.70 -26.85 -7.26 -20.30 -26.30 2 0 1000.00 -999 ? >CYH~B 29 -2.56 -18.86 -24.00 -3.80 -20.12 -21.83 -3.18 -19.49 -22.92 2 0 1000.00 -999 ? >ARG~B 30 1.86 -21.97 -28.04 4.67 -23.25 -26.95 3.27 -22.61 -27.50 2 0 1000.00 -999 ? >GLU~B 31 -2.43 -17.65 -30.69 -4.17 -17.83 -31.91 -3.30 -17.74 -31.30 2 0 1000.00 -999 ? >ILE~B 32 -3.06 -14.15 -24.87 -4.16 -14.12 -24.11 -3.61 -14.13 -24.49 3 0 1000.00 -999 ? >ILE~B 33 1.94 -14.47 -23.74 2.06 -13.67 -22.54 2.00 -14.07 -23.14 3 0 1000.00 -999 ? >GLU~B 34 3.93 -16.00 -28.51 4.26 -17.47 -29.99 4.10 -16.74 -29.25 2 0 1000.00 -999 ? >LYS~B 35 1.06 -10.63 -29.08 -4.99 -12.07 -29.06 -1.97 -11.35 -29.07 2 0 1000.00 -999 ? >PHE.B 36 2.20 -8.37 -24.73 -0.24 -7.68 -23.57 0.98 -8.02 -24.15 3 0 1000.00 -999 ? >GLY.B 37 6.43 -9.76 -29.03 5.94 -10.31 -28.61 6.19 -10.03 -28.82 1 0 1000.00 -999 ? >GLU.B 38 8.13 -13.25 -31.96 9.11 -14.05 -33.68 8.62 -13.65 -32.82 2 0 1000.00 -999 ? >ILE.B 39 8.58 -14.56 -24.94 7.79 -13.97 -24.04 8.18 -14.26 -24.49 3 0 1000.00 -999 ? >ASP.B 40 10.78 -19.52 -25.82 12.31 -19.55 -24.34 11.55 -19.54 -25.08 2 0 1000.00 -999 ? >PHE.B 41 5.50 -20.15 -23.40 3.99 -17.99 -24.43 4.74 -19.07 -23.92 3 0 1000.00 -999 ? >ASN.B 42 11.86 -23.44 -23.35 13.10 -25.16 -23.13 12.48 -24.30 -23.24 2 0 1000.00 -999 ? >LEU.B 43 10.22 -22.78 -17.61 10.58 -20.66 -17.56 10.40 -21.72 -17.58 3 0 1000.00 -999 ? >SER~B 45 8.25 -28.03 -13.93 7.94 -30.36 -14.35 8.09 -29.19 -14.14 2 0 1000.00 -999 ? >VAL~B 46 11.12 -28.80 -11.54 12.73 -30.28 -11.28 11.92 -29.54 -11.41 3 0 1000.00 -999 ? >LEU~B 47 12.65 -24.32 -12.84 13.14 -22.11 -12.91 12.90 -23.22 -12.88 3 0 1000.00 -999 ? >VAL~B 48 8.53 -23.69 -11.87 7.13 -23.36 -13.53 7.83 -23.52 -12.70 3 0 1000.00 -999 ? >ARG~B 49 6.43 -29.44 -9.31 7.36 -31.45 -11.47 6.89 -30.45 -10.39 2 0 1000.00 -999 ? >GLU.B 50 11.46 -25.57 -6.33 10.45 -26.25 -4.56 10.96 -25.91 -5.44 2 0 1000.00 -999 ? >LEU.B 51 8.19 -19.92 -9.34 9.60 -19.83 -11.05 8.90 -19.88 -10.20 3 0 1000.00 -999 ? >ARG~B 52 5.66 -22.67 -3.19 6.22 -23.35 -0.24 5.94 -23.01 -1.72 2 0 1000.00 -999 ? >GLY~B 53 7.51 -16.12 -2.63 7.73 -16.89 -2.46 7.62 -16.50 -2.55 1 0 1000.00 -999 ? >SER~B 54 8.83 -17.90 0.49 7.70 -20.01 0.90 8.26 -18.96 0.69 2 0 1000.00 -999 ? >VAL~B 55 11.53 -19.67 -1.57 11.58 -21.64 -2.58 11.56 -20.65 -2.07 3 0 1000.00 -999 ? >LEU~B 56 11.48 -16.48 -5.09 11.33 -17.19 -7.11 11.41 -16.83 -6.10 3 0 1000.00 -999 ? >ILE~B 57 11.25 -13.17 -0.90 10.28 -12.25 -0.92 10.76 -12.71 -0.91 3 0 1000.00 -999 ? >LYS.B 58 15.96 -14.66 -0.07 16.02 -17.09 -4.61 15.99 -15.87 -2.34 2 0 1000.00 -999 ? >ASP.B 59 15.98 -10.28 2.08 17.82 -9.57 1.36 16.90 -9.92 1.72 2 0 1000.00 -999 ? >MET?B 60 12.90 -13.27 4.03 9.11 -15.14 3.18 11.01 -14.21 3.61 2 0 1000.00 -999 ? >PRO~B 61 11.76 -12.04 7.91 13.18 -13.57 7.13 12.47 -12.81 7.52 3 0 1000.00 -999 ? >GLN~B 62 14.05 -19.79 8.43 14.32 -21.39 9.82 14.18 -20.59 9.13 2 0 1000.00 -999 ? >SER~B 63 10.23 -17.04 11.13 11.61 -16.26 12.88 10.92 -16.65 12.01 2 0 1000.00 -999 ? >LEU~B 64 8.31 -14.02 7.81 6.86 -12.81 6.70 7.58 -13.41 7.26 3 0 1000.00 -999 ? >ALA~B 65 9.00 -18.00 5.92 10.40 -18.37 5.50 9.70 -18.19 5.71 2 0 1000.00 -999 ? >GLU~B 66 8.41 -20.77 10.37 10.17 -21.35 11.43 9.29 -21.06 10.90 2 0 1000.00 -999 ? >VAL~B 67 4.16 -19.02 8.24 3.88 -17.90 10.15 4.02 -18.46 9.20 3 0 1000.00 -999 ? >TYR~B 68 5.09 -15.93 2.96 4.91 -13.80 1.13 5.00 -14.87 2.04 3 0 1000.00 -999 ? >GLU~B 69 0.64 -21.64 2.22 1.24 -23.44 1.28 0.94 -22.54 1.75 2 0 1000.00 -999 ? >SER~B 70 -0.76 -18.90 6.16 -1.48 -18.93 8.41 -1.12 -18.92 7.28 2 0 1000.00 -999 ? >VAL~B 71 -0.21 -15.16 5.69 1.39 -13.66 6.10 0.59 -14.41 5.90 3 0 1000.00 -999 ? >MET?B 72 -1.14 -15.53 2.02 1.45 -14.34 0.00 0.16 -14.94 1.01 2 0 1000.00 -999 ? >LYS~B 73 -4.33 -17.50 2.83 -2.93 -23.01 4.88 -3.63 -20.26 3.86 2 0 1000.00 -999 ? >ASP~B 74 -4.45 -14.05 6.26 -4.26 -15.31 8.00 -4.36 -14.68 7.13 2 0 1000.00 -999 ? >PHE~B 75 -3.87 -10.30 1.01 -3.87 -7.72 -0.05 -3.87 -9.01 0.48 3 0 1000.00 -999 ? >TYR~B 76 -5.37 -15.73 -1.23 -3.05 -15.82 -2.77 -4.21 -15.77 -2.00 3 0 1000.00 -999 ? >GLU~B 77 -9.82 -17.60 3.60 -9.41 -18.95 5.22 -9.62 -18.27 4.41 2 0 1000.00 -999 ? >ARG~B 78 -8.75 -8.14 4.36 -8.48 -5.08 4.70 -8.61 -6.61 4.53 2 0 1000.00 -999 ? >TYR~B 79 -9.77 -9.02 -0.73 -8.91 -6.60 0.36 -9.34 -7.81 -0.19 3 0 1000.00 -999 ? >GLY.B 80 -13.18 -14.24 -0.81 -12.49 -13.99 -1.18 -12.83 -14.11 -0.99 1 0 1000.00 -999 ? >PHE.B 81 -8.38 -15.77 -4.56 -6.90 -17.09 -6.55 -7.64 -16.43 -5.55 3 0 1000.00 -999 ? >GLN.B 82 -13.62 -19.40 -4.24 -15.32 -19.60 -5.56 -14.47 -19.50 -4.90 2 0 1000.00 -999 ? >ALA.B 83 -7.47 -20.80 -4.66 -6.36 -20.53 -3.65 -6.92 -20.66 -4.16 2 0 1000.00 -999 ? >SER.B 84 -6.21 -23.95 -6.37 -4.28 -23.40 -7.73 -5.25 -23.67 -7.05 2 0 1000.00 -999 ? >GLU.B 85 -3.54 -28.67 -6.78 -4.20 -28.01 -8.70 -3.87 -28.34 -7.74 2 0 1000.00 -999 ? >LEU.B 86 -0.54 -24.33 -6.57 -0.07 -25.20 -8.54 -0.30 -24.76 -7.56 3 0 1000.00 -999 ? >HIS.B 87 2.79 -24.74 -1.58 3.41 -26.51 -0.62 3.10 -25.63 -1.10 3 0 1000.00 -999 ? >ALA.B 88 -0.77 -20.05 -1.64 -1.39 -19.62 -0.33 -1.08 -19.83 -0.99 2 0 1000.00 -999 ? >ASP.B 89 3.59 -18.08 -1.29 4.83 -19.83 -1.04 4.21 -18.96 -1.17 2 0 1000.00 -999 ? >HIS~B 90 3.29 -21.74 -7.43 4.26 -22.26 -9.22 3.78 -22.00 -8.33 3 0 1000.00 -999 ? >ILE~B 91 4.47 -17.10 -9.56 5.10 -16.84 -10.82 4.78 -16.97 -10.19 3 0 1000.00 -999 ? >ALA~B 92 0.40 -18.90 -10.41 0.34 -20.34 -10.89 0.37 -19.62 -10.65 2 0 1000.00 -999 ? >VAL~B 93 -1.96 -18.50 -7.43 -2.52 -19.82 -5.78 -2.24 -19.16 -6.60 3 0 1000.00 -999 ? >GLU~B 94 0.98 -14.90 -4.90 2.71 -13.92 -4.13 1.84 -14.41 -4.51 2 0 1000.00 -999 ? >LEU~B 95 -0.63 -14.55 -11.53 1.23 -13.84 -12.35 0.30 -14.20 -11.94 3 0 1000.00 -999 ? >ALA~B 96 -4.88 -15.65 -10.25 -5.17 -17.09 -10.02 -5.02 -16.37 -10.14 2 0 1000.00 -999 ? >PHE~B 97 -5.52 -12.56 -4.88 -6.58 -10.72 -3.05 -6.05 -11.64 -3.97 3 0 1000.00 -999 ? >MET?B 98 -4.89 -10.38 -8.98 -3.07 -7.86 -7.68 -3.98 -9.12 -8.33 2 0 1000.00 -999 ? >SER~B 99 -7.11 -11.34 -11.95 -7.40 -13.66 -12.66 -7.25 -12.50 -12.31 2 0 1000.00 -999 ? >LYS~B 100 -10.04 -11.92 -9.55 -12.11 -15.75 -10.86 -11.08 -13.84 -10.20 2 0 1000.00 -999 ? >LEU~B 101 -8.23 -8.00 -7.23 -8.18 -8.18 -5.05 -8.20 -8.09 -6.14 3 0 1000.00 -999 ? >VAL~B 102 -9.09 -6.88 -11.45 -7.39 -6.41 -12.71 -8.24 -6.65 -12.08 3 0 1000.00 -999 ? >GLU~B 103 -12.79 -11.09 -12.24 -12.84 -13.09 -13.03 -12.82 -12.09 -12.64 2 0 1000.00 -999 ? >ARG~B 104 -14.79 -9.01 -6.58 -13.09 -10.63 -4.62 -13.94 -9.82 -5.60 2 0 1000.00 -999 ? >GLU~B 105 -11.03 -2.11 -11.34 -8.98 -1.74 -11.69 -10.01 -1.92 -11.52 2 0 1000.00 -999 ? >ILE~B 106 -14.24 -5.36 -15.10 -13.91 -5.96 -16.32 -14.08 -5.66 -15.71 3 0 1000.00 -999 ? >SER~B 107 -17.83 -4.81 -12.69 -18.26 -5.88 -10.53 -18.04 -5.34 -11.61 2 0 1000.00 -999 ? >LEU~B 108 -16.53 -2.09 -8.84 -17.01 -2.85 -6.84 -16.77 -2.47 -7.84 3 0 1000.00 -999 ? >ALA~B 109 -16.29 0.59 -12.49 -15.04 0.54 -13.35 -15.67 0.56 -12.92 2 0 1000.00 -999 ? >GLN~B 111 -22.64 -2.07 -10.10 -22.15 -3.60 -8.65 -22.39 -2.84 -9.37 2 0 1000.00 -999 ? >LYS~B 113 -19.63 2.58 -7.44 -22.85 -2.19 -5.01 -21.24 0.19 -6.23 2 0 1000.00 -999 ? >GLU~B 115 -15.35 5.61 -1.34 -14.34 7.45 -1.87 -14.85 6.53 -1.61 2 0 1000.00 -999 ? >GLU~B 116 -17.66 -0.36 -3.05 -19.40 0.78 -3.40 -18.53 0.21 -3.22 2 0 1000.00 -999 ? >LEU~B 117 -13.74 2.06 -8.18 -12.86 2.13 -10.15 -13.30 2.10 -9.16 3 0 1000.00 -999 ? >TYR~B 118 -9.54 4.88 -3.66 -7.19 5.80 -2.40 -8.36 5.34 -3.03 3 0 1000.00 -999 ? >LYS~B 119 -10.76 0.44 -2.23 -15.59 0.39 1.61 -13.17 0.42 -0.31 2 0 1000.00 -999 ? >ILE~B 120 -11.38 -2.93 -5.73 -11.59 -3.72 -5.99 -11.49 -3.32 -5.86 3 0 1000.00 -999 ? >ARG~B 121 -8.09 1.60 -9.64 -10.02 2.71 -11.85 -9.05 2.16 -10.75 2 0 1000.00 -999 ? >ALA~B 122 -5.82 0.01 -3.19 -6.45 0.80 -2.05 -6.13 0.40 -2.62 2 0 1000.00 -999 ? >ALA~B 123 -6.11 -3.68 -2.33 -7.38 -4.48 -2.20 -6.74 -4.08 -2.26 2 0 1000.00 -999 ? >GLN~B 124 -6.29 -4.92 -7.39 -7.05 -4.19 -9.24 -6.67 -4.56 -8.31 2 0 1000.00 -999 ? >HIS~B 125 -0.38 0.01 -4.99 1.47 0.99 -4.89 0.55 0.50 -4.94 3 0 1000.00 -999 ? >ARG~B 126 -2.44 -3.66 2.35 -5.05 -5.30 2.44 -3.74 -4.48 2.40 2 0 1000.00 -999 ? >PHE~B 127 -1.84 -9.19 -3.50 -1.25 -11.91 -3.81 -1.55 -10.55 -3.66 3 0 1000.00 -999 ? >ILE~B 128 1.35 -5.14 -6.58 1.47 -5.03 -8.13 1.41 -5.08 -7.35 3 0 1000.00 -999 ? >ALA~B 130 3.78 -6.68 -0.23 2.61 -6.82 0.75 3.20 -6.75 0.26 2 0 1000.00 -999 ? >HIS~B 131 2.04 -10.71 -0.36 1.52 -10.71 1.66 1.78 -10.71 0.65 3 0 1000.00 -999 ? >LEU~B 132 2.58 -9.95 -6.76 2.17 -10.93 -8.69 2.37 -10.44 -7.73 3 0 1000.00 -999 ? >GLN~B 133 7.60 -5.45 -7.35 7.32 -3.34 -7.63 7.46 -4.39 -7.49 2 0 1000.00 -999 ? >PRO~B 134 7.64 -7.91 -2.38 8.34 -8.66 -4.37 7.99 -8.28 -3.37 3 0 1000.00 -999 ? >LEU~B 135 6.95 -13.17 -5.77 6.37 -14.99 -6.92 6.66 -14.08 -6.35 3 0 1000.00 -999 ? >VAL~B 136 8.84 -11.18 -9.28 7.06 -10.26 -10.13 7.95 -10.72 -9.70 3 0 1000.00 -999 ? >LYS~B 137 11.97 -9.03 -8.52 11.25 -4.80 -10.75 11.61 -6.91 -9.63 2 0 1000.00 -999 ? >ASN~B 138 13.39 -12.85 -6.08 14.01 -11.39 -4.66 13.70 -12.12 -5.37 2 0 1000.00 -999 ? >LEU.B 139 11.74 -14.27 -11.60 9.59 -14.61 -11.44 10.66 -14.44 -11.52 3 0 1000.00 -999 ? >PRO.B 140 15.15 -18.04 -11.71 15.19 -15.86 -12.14 15.17 -16.95 -11.92 3 0 1000.00 -999 ? >SER.B 141 16.46 -14.40 -15.99 17.53 -13.03 -17.67 17.00 -13.71 -16.83 2 0 1000.00 -999 ? >ALA~B 142 14.37 -15.97 -18.74 13.81 -17.23 -18.12 14.09 -16.60 -18.43 2 0 1000.00 -999 ? >PRO~B 143 13.36 -15.73 -22.96 12.53 -14.93 -21.06 12.94 -15.33 -22.01 3 0 1000.00 -999 ? >LEU~B 144 8.15 -16.96 -19.63 6.05 -17.44 -19.13 7.10 -17.20 -19.38 3 0 1000.00 -999 ? >LEU~B 145 11.04 -15.31 -15.51 10.87 -17.31 -14.63 10.95 -16.31 -15.07 3 0 1000.00 -999 ? >ASN~B 146 12.36 -11.00 -18.60 14.30 -11.74 -18.04 13.33 -11.37 -18.32 2 0 1000.00 -999 ? >PHE~B 147 5.74 -10.93 -20.47 3.18 -9.92 -21.03 4.46 -10.42 -20.75 3 0 1000.00 -999 ? >VAL~B 148 6.06 -11.20 -15.83 5.36 -13.03 -14.92 5.71 -12.12 -15.38 3 0 1000.00 -999 ? >ARG~B 149 12.36 -8.58 -13.03 13.62 -11.17 -14.04 12.99 -9.88 -13.54 2 0 1000.00 -999 ? >ASP~B 150 8.44 -6.08 -17.93 10.54 -6.14 -18.28 9.49 -6.11 -18.11 2 0 1000.00 -999 ? >PHE~B 151 2.07 -7.71 -16.66 -0.67 -7.47 -16.24 0.70 -7.59 -16.45 3 0 1000.00 -999 ? >VAL~B 152 3.95 -6.52 -12.68 3.92 -8.07 -11.06 3.94 -7.29 -11.87 3 0 1000.00 -999 ? >ARG~B 153 10.01 -2.17 -12.96 10.76 -3.51 -15.62 10.39 -2.84 -14.29 2 0 1000.00 -999 ? >GLU~B 154 5.82 -1.32 -17.10 6.97 0.44 -16.69 6.40 -0.44 -16.90 2 0 1000.00 -999 ? >ASP~B 155 0.62 -3.75 -13.10 -1.49 -3.76 -13.07 -0.43 -3.76 -13.09 2 0 1000.00 -999 ? >ALA~B 156 2.48 -1.11 -9.86 3.70 -1.61 -9.12 3.09 -1.36 -9.49 2 0 1000.00 -999 ? >LYS~B 157 3.31 2.29 -11.44 8.89 1.87 -14.32 6.10 2.08 -12.88 2 0 1000.00 -999 ? >TYR~B 158 -2.18 1.50 -14.19 -4.91 1.95 -14.52 -3.55 1.72 -14.36 3 0 1000.00 -999 ? >LEU~B 159 -2.19 0.36 -8.99 -3.46 -1.38 -9.42 -2.82 -0.51 -9.21 3 0 1000.00 -999 ? >TYR~B 160 2.28 4.91 -6.66 3.26 6.76 -4.80 2.77 5.83 -5.73 3 0 1000.00 -999 ? >SER~B 161 -0.50 7.00 -9.96 1.00 6.73 -11.86 0.25 6.87 -10.91 2 0 1000.00 -999 ? >SER~B 162 -4.16 6.72 -8.83 -4.91 5.36 -10.71 -4.54 6.04 -9.77 2 0 1000.00 -999 ? >SER~C 0 -2.67 -3.08 -21.75 -1.90 -4.91 -20.06 -2.29 -4.00 -20.90 2 0 1000.00 -999 ? >MET?C 1 -5.11 -0.57 -23.28 -5.64 3.30 -23.40 -5.38 1.36 -23.34 2 0 1000.00 -999 ? >THR~C 2 -4.33 -2.00 -26.75 -2.65 -1.77 -28.07 -3.49 -1.89 -27.41 2 0 1000.00 -999 ? >ILE~C 3 -4.57 -6.64 -25.13 -4.50 -7.82 -24.24 -4.54 -7.23 -24.69 3 0 1000.00 -999 ? >GLY~C 4 -8.72 -4.31 -24.56 -8.37 -4.28 -25.31 -8.55 -4.30 -24.94 1 0 1000.00 -999 ? >ARG~C 5 -7.70 1.07 -28.38 -6.84 0.82 -31.34 -7.27 0.94 -29.86 2 0 1000.00 -999 ? >ALA~C 6 -8.49 -5.72 -29.63 -7.09 -6.33 -29.69 -7.79 -6.02 -29.66 2 0 1000.00 -999 ? >LYS~C 7 -10.70 -7.97 -27.50 -11.67 -10.89 -21.83 -11.18 -9.43 -24.66 2 0 1000.00 -999 ? >VAL~C 8 -13.76 -5.81 -28.10 -14.61 -4.13 -27.03 -14.19 -4.97 -27.56 3 0 1000.00 -999 ? >TYR~C 9 -12.16 -3.65 -32.95 -12.19 -0.88 -33.30 -12.17 -2.26 -33.12 3 0 1000.00 -999 ? >ALA~C 10 -12.64 -9.53 -32.18 -11.51 -10.30 -31.57 -12.07 -9.92 -31.88 2 0 1000.00 -999 ? >THR~C 11 -15.73 -10.28 -30.03 -15.97 -10.34 -27.89 -15.85 -10.31 -28.96 2 0 1000.00 -999 ? >LEU~C 12 -17.85 -6.38 -32.09 -18.79 -5.02 -30.64 -18.32 -5.70 -31.36 3 0 1000.00 -999 ? >SER~C 13 -16.76 -9.50 -35.19 -15.23 -10.21 -36.88 -15.99 -9.85 -36.04 2 0 1000.00 -999 ? >ILE~C 15 -21.31 -10.86 -31.69 -21.73 -10.34 -30.51 -21.52 -10.60 -31.10 3 0 1000.00 -999 ? >PHE~C 16 -22.04 -7.95 -36.08 -23.10 -5.57 -34.97 -22.57 -6.76 -35.53 3 0 1000.00 -999 ? >TYR~C 17 -18.83 -15.08 -38.74 -18.27 -17.18 -40.53 -18.55 -16.13 -39.64 3 0 1000.00 -999 ? >HIS~C 18 -21.63 -16.78 -33.64 -20.14 -18.15 -33.08 -20.88 -17.47 -33.36 3 0 1000.00 -999 ? >LEU~C 19 -26.01 -12.13 -35.80 -26.66 -11.72 -33.73 -26.34 -11.92 -34.77 3 0 1000.00 -999 ? >PHE~C 20 -23.92 -13.44 -42.23 -23.91 -13.27 -45.02 -23.91 -13.36 -43.62 3 0 1000.00 -999 ? >TYR~C 21 -24.09 -18.27 -41.24 -22.45 -17.92 -43.45 -23.27 -18.10 -42.35 3 0 1000.00 -999 ? >ASP.C 22 -30.08 -17.64 -37.96 -31.23 -15.98 -38.58 -30.65 -16.81 -38.27 2 0 1000.00 -999 ? >GLU.C 23 -24.71 -20.01 -36.53 -22.62 -20.28 -36.77 -23.66 -20.15 -36.65 2 0 1000.00 -999 ? >ALA.C 24 -27.23 -18.55 -31.23 -27.73 -19.63 -30.26 -27.48 -19.09 -30.75 2 0 1000.00 -999 ? >ILE.C 25 -24.50 -14.70 -30.00 -23.84 -14.31 -29.67 -24.17 -14.51 -29.84 3 0 1000.00 -999 ? >PRO~C 26 -20.77 -18.15 -29.40 -22.51 -17.91 -28.00 -21.64 -18.03 -28.70 3 0 1000.00 -999 ? >CYH~C 29 -18.96 -13.44 -26.09 -18.33 -14.82 -28.47 -18.64 -14.13 -27.28 2 0 1000.00 -999 ? >ARG~C 30 -25.25 -15.09 -24.30 -27.17 -12.99 -23.12 -26.21 -14.04 -23.71 2 0 1000.00 -999 ? >GLU~C 31 -20.35 -14.41 -19.77 -19.20 -15.81 -18.64 -19.78 -15.11 -19.20 2 0 1000.00 -999 ? >ILE~C 32 -16.68 -10.28 -23.83 -15.54 -10.58 -24.45 -16.11 -10.43 -24.14 3 0 1000.00 -999 ? >ILE~C 33 -20.87 -7.65 -25.45 -20.31 -6.65 -26.28 -20.59 -7.15 -25.86 3 0 1000.00 -999 ? >GLU~C 34 -24.51 -9.23 -21.77 -25.82 -10.67 -20.95 -25.17 -9.95 -21.36 2 0 1000.00 -999 ? >LYS~C 35 -19.77 -6.45 -19.01 -15.20 -10.69 -19.02 -17.49 -8.57 -19.02 2 0 1000.00 -999 ? >PHE.C 36 -18.64 -2.85 -22.28 -15.94 -3.21 -22.94 -17.29 -3.03 -22.61 3 0 1000.00 -999 ? >GLY.C 37 -23.99 -3.07 -19.17 -23.71 -3.64 -19.73 -23.85 -3.36 -19.45 1 0 1000.00 -999 ? >GLU.C 38 -27.76 -5.89 -17.92 -29.41 -6.47 -16.71 -28.58 -6.18 -17.31 2 0 1000.00 -999 ? >ILE.C 39 -26.95 -4.76 -24.94 -25.80 -4.42 -25.50 -26.37 -4.59 -25.22 3 0 1000.00 -999 ? >ASP.C 40 -31.26 -7.93 -26.14 -32.11 -6.73 -27.66 -31.69 -7.33 -26.90 2 0 1000.00 -999 ? >PHE.C 41 -26.43 -10.44 -28.16 -24.42 -9.77 -26.32 -25.43 -10.10 -27.24 3 0 1000.00 -999 ? >ASN.C 42 -33.38 -10.02 -29.90 -35.23 -10.67 -30.83 -34.30 -10.35 -30.36 2 0 1000.00 -999 ? >LEU.C 43 -30.21 -8.55 -34.85 -29.64 -6.57 -34.19 -29.93 -7.56 -34.52 3 0 1000.00 -999 ? >SER~C 45 -29.84 -12.82 -40.19 -30.86 -14.89 -40.85 -30.35 -13.85 -40.52 2 0 1000.00 -999 ? >VAL~C 46 -32.17 -11.28 -42.79 -34.20 -11.64 -43.57 -33.18 -11.46 -43.18 3 0 1000.00 -999 ? >LEU~C 47 -31.67 -7.27 -40.04 -31.20 -5.27 -39.29 -31.44 -6.27 -39.66 3 0 1000.00 -999 ? >VAL~C 48 -27.64 -8.61 -40.48 -26.73 -9.40 -38.64 -27.18 -9.01 -39.56 3 0 1000.00 -999 ? >ARG~C 49 -28.15 -13.65 -45.15 -28.37 -16.63 -44.29 -28.26 -15.14 -44.72 2 0 1000.00 -999 ? >GLU.C 50 -29.68 -7.02 -46.43 -28.77 -7.58 -48.25 -29.23 -7.30 -47.34 2 0 1000.00 -999 ? >LEU.C 51 -25.06 -4.89 -41.31 -26.62 -4.51 -39.84 -25.84 -4.70 -40.57 3 0 1000.00 -999 ? >ARG~C 52 -22.57 -6.85 -47.77 -22.57 -6.25 -50.79 -22.57 -6.55 -49.28 2 0 1000.00 -999 ? >GLY~C 53 -20.93 -0.41 -46.16 -21.45 -0.86 -46.60 -21.19 -0.64 -46.38 1 0 1000.00 -999 ? >SER~C 54 -22.18 -0.30 -49.75 -22.10 -2.48 -50.86 -22.14 -1.39 -50.30 2 0 1000.00 -999 ? >VAL~C 55 -25.79 -0.90 -48.72 -26.95 -2.75 -48.44 -26.37 -1.83 -48.58 3 0 1000.00 -999 ? >LEU~C 56 -25.16 0.69 -44.27 -25.97 -0.45 -42.66 -25.57 0.12 -43.47 3 0 1000.00 -999 ? >ILE~C 57 -22.47 4.45 -46.90 -21.19 4.70 -46.54 -21.83 4.57 -46.72 3 0 1000.00 -999 ? >LYS.C 58 -26.95 5.86 -48.63 -29.25 2.70 -45.30 -28.10 4.28 -46.96 2 0 1000.00 -999 ? >ASP.C 59 -24.46 10.00 -48.88 -25.91 11.46 -48.27 -25.18 10.73 -48.57 2 0 1000.00 -999 ? >MET?C 60 -22.63 6.63 -51.65 -20.00 3.35 -51.02 -21.32 4.99 -51.33 2 0 1000.00 -999 ? >PRO~C 61 -20.18 8.30 -54.71 -22.23 7.38 -54.65 -21.21 7.84 -54.68 3 0 1000.00 -999 ? >GLN~C 62 -25.52 3.07 -58.19 -26.10 2.31 -60.10 -25.81 2.69 -59.15 2 0 1000.00 -999 ? >SER~C 63 -20.25 4.16 -59.39 -20.63 6.09 -60.75 -20.44 5.12 -60.07 2 0 1000.00 -999 ? >LEU~C 64 -18.04 4.79 -55.15 -16.57 4.73 -53.50 -17.31 4.76 -54.32 3 0 1000.00 -999 ? >ALA~C 65 -20.98 1.30 -54.78 -22.45 1.65 -54.61 -21.72 1.48 -54.70 2 0 1000.00 -999 ? >GLU~C 66 -20.65 0.05 -59.85 -22.12 0.69 -61.25 -21.38 0.37 -60.55 2 0 1000.00 -999 ? >VAL~C 67 -16.71 -1.40 -56.90 -15.83 0.06 -58.35 -16.27 -0.67 -57.63 3 0 1000.00 -999 ? >TYR~C 68 -17.50 0.15 -50.95 -16.75 1.20 -48.48 -17.12 0.67 -49.72 3 0 1000.00 -999 ? >GLU~C 69 -16.40 -6.99 -52.17 -17.94 -8.40 -51.92 -17.17 -7.70 -52.04 2 0 1000.00 -999 ? >SER~C 70 -13.05 -4.51 -54.56 -11.87 -4.26 -56.72 -12.46 -4.39 -55.64 2 0 1000.00 -999 ? >VAL~C 71 -11.92 -1.29 -52.83 -12.42 0.85 -52.76 -12.17 -0.22 -52.80 3 0 1000.00 -999 ? >LYS~C 73 -10.16 -6.08 -50.64 -13.23 -9.20 -54.72 -11.69 -7.64 -52.68 2 0 1000.00 -999 ? >ASP~C 74 -7.73 -2.28 -52.53 -7.90 -2.71 -54.59 -7.81 -2.50 -53.56 2 0 1000.00 -999 ? >PHE~C 75 -7.70 -0.45 -46.35 -6.80 1.45 -44.44 -7.25 0.50 -45.40 3 0 1000.00 -999 ? >TYR~C 76 -9.49 -6.27 -46.22 -11.88 -5.60 -44.96 -10.69 -5.93 -45.59 3 0 1000.00 -999 ? >GLU~C 77 -5.32 -8.68 -50.91 -5.76 -9.14 -52.96 -5.54 -8.91 -51.94 2 0 1000.00 -999 ? >ARG~C 78 -1.78 -0.17 -48.33 -0.62 2.48 -47.33 -1.20 1.16 -47.83 2 0 1000.00 -999 ? >TYR~C 79 -2.62 -2.81 -43.87 -1.99 -0.09 -44.01 -2.30 -1.45 -43.94 3 0 1000.00 -999 ? >GLY.C 80 -2.21 -8.93 -45.51 -2.78 -8.60 -45.17 -2.50 -8.77 -45.34 1 0 1000.00 -999 ? >PHE.C 81 -7.79 -9.16 -42.81 -10.19 -9.95 -41.58 -8.99 -9.56 -42.19 3 0 1000.00 -999 ? >ALA.C 83 -10.77 -12.39 -44.76 -11.24 -11.30 -45.73 -11.00 -11.85 -45.25 2 0 1000.00 -999 ? >SER.C 84 -13.77 -14.70 -44.35 -15.67 -13.73 -43.17 -14.72 -14.21 -43.76 2 0 1000.00 -999 ? >GLU.C 85 -18.24 -17.36 -45.96 -17.86 -17.76 -43.88 -18.05 -17.56 -44.92 2 0 1000.00 -999 ? >LEU.C 86 -18.90 -12.19 -44.84 -20.24 -13.11 -43.35 -19.57 -12.65 -44.10 3 0 1000.00 -999 ? >HIS.C 87 -20.65 -9.50 -49.83 -21.77 -10.35 -51.38 -21.21 -9.92 -50.60 3 0 1000.00 -999 ? >ALA.C 88 -15.47 -7.52 -47.72 -14.46 -7.13 -48.74 -14.96 -7.33 -48.23 2 0 1000.00 -999 ? >ASP.C 89 -18.22 -3.55 -47.76 -19.90 -4.28 -48.84 -19.06 -3.91 -48.30 2 0 1000.00 -999 ? >HIS~C 90 -21.13 -8.39 -43.33 -22.62 -8.81 -41.93 -21.87 -8.60 -42.63 3 0 1000.00 -999 ? >ILE~C 91 -20.69 -4.54 -39.83 -21.46 -4.38 -38.68 -21.08 -4.46 -39.25 3 0 1000.00 -999 ? >ALA~C 92 -18.20 -8.37 -39.32 -18.92 -9.69 -39.45 -18.56 -9.03 -39.38 2 0 1000.00 -999 ? >VAL~C 93 -15.25 -8.40 -41.73 -14.90 -9.34 -43.66 -15.08 -8.87 -42.69 3 0 1000.00 -999 ? >GLU~C 94 -15.61 -3.35 -42.99 -16.38 -1.39 -43.51 -15.99 -2.37 -43.25 2 0 1000.00 -999 ? >LEU~C 95 -15.67 -5.79 -36.65 -17.10 -4.44 -35.70 -16.39 -5.11 -36.17 3 0 1000.00 -999 ? >ALA~C 96 -12.21 -8.38 -37.85 -12.57 -9.65 -38.58 -12.39 -9.01 -38.21 2 0 1000.00 -999 ? >PHE~C 97 -8.85 -4.73 -41.68 -6.68 -3.17 -42.54 -7.77 -3.95 -42.11 3 0 1000.00 -999 ? >MET?C 98 -9.51 -3.76 -37.09 -9.53 -0.51 -37.52 -9.52 -2.14 -37.31 2 0 1000.00 -999 ? >SER~C 99 -8.80 -6.47 -34.50 -9.67 -8.73 -34.77 -9.23 -7.60 -34.63 2 0 1000.00 -999 ? >LYS~C 100 -5.93 -7.74 -36.70 -6.14 -12.27 -36.70 -6.04 -10.00 -36.70 2 0 1000.00 -999 ? >LEU~C 101 -5.09 -3.00 -37.50 -4.60 -2.48 -39.56 -4.84 -2.74 -38.53 3 0 1000.00 -999 ? >VAL~C 102 -4.92 -3.68 -33.14 -6.50 -2.74 -31.97 -5.71 -3.21 -32.56 3 0 1000.00 -999 ? >GLU~C 103 -3.87 -9.21 -33.71 -4.93 -11.06 -33.74 -4.40 -10.13 -33.73 2 0 1000.00 -999 ? >ARG~C 104 0.43 -6.92 -38.03 -0.70 -6.98 -40.90 -0.13 -6.95 -39.46 2 0 1000.00 -999 ? >GLU~C 105 -1.08 -0.57 -31.64 -2.82 0.36 -30.90 -1.95 -0.11 -31.27 2 0 1000.00 -999 ? >ILE~C 106 -0.50 -6.21 -28.76 -1.37 -7.09 -28.17 -0.93 -6.65 -28.47 3 0 1000.00 -999 ? >SER~C 107 3.80 -5.74 -29.65 3.57 -6.69 -31.81 3.68 -6.21 -30.73 2 0 1000.00 -999 ? >LEU~C 108 4.17 -1.63 -32.20 4.79 -2.26 -34.24 4.48 -1.94 -33.22 3 0 1000.00 -999 ? >ALA~C 109 3.25 -0.56 -27.70 1.74 -0.40 -27.46 2.50 -0.48 -27.58 2 0 1000.00 -999 ? >GLN.C 111 8.09 -4.13 -26.78 8.73 -4.62 -28.76 8.41 -4.38 -27.77 2 0 1000.00 -999 ? >MET?C 112 8.11 0.97 -27.66 7.84 2.72 -23.84 7.97 1.85 -25.75 2 0 1000.00 -999 ? >GLU~C 116 7.47 -0.34 -37.74 9.36 -0.50 -36.82 8.42 -0.42 -37.28 2 0 1000.00 -999 ? >LEU~C 117 3.87 2.27 -32.46 2.60 2.24 -30.68 3.23 2.26 -31.57 3 0 1000.00 -999 ? >TYR~C 118 2.59 7.84 -35.95 1.30 10.10 -36.94 1.95 8.97 -36.44 3 0 1000.00 -999 ? >LYS~C 119 2.10 4.06 -38.82 7.16 2.60 -42.03 4.63 3.33 -40.43 2 0 1000.00 -999 ? >ILE~C 120 0.20 -0.02 -36.78 -0.07 -0.85 -36.77 0.06 -0.43 -36.77 3 0 1000.00 -999 ? >ARG~C 121 -1.61 4.24 -31.79 -0.08 3.67 -29.15 -0.84 3.96 -30.47 2 0 1000.00 -999 ? >ALA~C 122 -2.60 5.96 -38.48 -1.44 6.64 -39.15 -2.02 6.30 -38.81 2 0 1000.00 -999 ? >ALA~C 123 -3.73 3.01 -40.69 -2.96 1.70 -40.94 -3.35 2.36 -40.81 2 0 1000.00 -999 ? >GLN~C 124 -5.45 0.46 -36.40 -4.96 0.10 -34.36 -5.20 0.28 -35.38 2 0 1000.00 -999 ? >HIS~C 125 -7.66 8.19 -37.25 -8.76 9.98 -37.18 -8.21 9.08 -37.22 3 0 1000.00 -999 ? >ARG~C 126 -5.76 6.21 -45.30 -4.21 3.51 -45.69 -4.98 4.86 -45.49 2 0 1000.00 -999 ? >PHE~C 127 -10.17 0.31 -41.95 -11.90 -1.75 -42.76 -11.04 -0.72 -42.35 3 0 1000.00 -999 ? >ILE~C 128 -11.88 4.41 -37.81 -12.25 4.13 -36.31 -12.07 4.27 -37.06 3 0 1000.00 -999 ? >LYS~C 129 -12.83 7.49 -40.78 -14.19 11.09 -37.63 -13.51 9.29 -39.20 2 0 1000.00 -999 ? >ALA~C 130 -13.09 6.24 -44.43 -11.87 5.90 -45.31 -12.48 6.07 -44.87 2 0 1000.00 -999 ? >HIS~C 131 -13.31 2.00 -45.67 -12.42 2.32 -47.54 -12.87 2.16 -46.61 3 0 1000.00 -999 ? >LEU~C 132 -15.17 1.03 -39.57 -15.68 -0.49 -38.08 -15.43 0.27 -38.82 3 0 1000.00 -999 ? >GLN~C 133 -17.48 7.15 -37.83 -16.40 8.55 -36.60 -16.94 7.85 -37.22 2 0 1000.00 -999 ? >PRO~C 134 -17.45 6.52 -43.26 -18.92 5.73 -41.76 -18.18 6.13 -42.51 3 0 1000.00 -999 ? >LEU~C 135 -20.08 0.92 -42.00 -20.75 -1.15 -41.70 -20.41 -0.11 -41.85 3 0 1000.00 -999 ? >VAL~C 136 -21.71 2.50 -38.22 -19.95 2.10 -36.95 -20.83 2.30 -37.58 3 0 1000.00 -999 ? >LYS~C 137 -23.19 6.06 -38.44 -21.27 8.54 -34.67 -22.23 7.30 -36.56 2 0 1000.00 -999 ? >ASN~C 138 -25.49 4.38 -42.19 -25.03 6.30 -43.03 -25.26 5.34 -42.61 2 0 1000.00 -999 ? >LEU.C 139 -26.21 0.72 -37.50 -24.44 -0.47 -37.55 -25.32 0.13 -37.52 3 0 1000.00 -999 ? >PRO.C 140 -30.72 -0.63 -39.03 -29.95 1.11 -37.81 -30.34 0.24 -38.42 3 0 1000.00 -999 ? >SER.C 141 -31.40 1.87 -33.81 -32.19 3.00 -31.86 -31.80 2.43 -32.84 2 0 1000.00 -999 ? >ALA~C 142 -30.97 -1.27 -31.71 -30.93 -2.41 -32.69 -30.95 -1.84 -32.20 2 0 1000.00 -999 ? >PRO~C 143 -31.07 -2.77 -27.64 -29.50 -2.01 -29.03 -30.28 -2.39 -28.34 3 0 1000.00 -999 ? >LEU~C 144 -26.21 -5.47 -30.67 -24.51 -6.75 -31.32 -25.36 -6.11 -30.99 3 0 1000.00 -999 ? >LEU~C 145 -27.03 -1.52 -34.13 -27.51 -2.98 -35.68 -27.27 -2.25 -34.90 3 0 1000.00 -999 ? >ASN~C 146 -26.93 1.78 -29.81 -28.74 2.36 -30.75 -27.84 2.07 -30.28 2 0 1000.00 -999 ? >PHE~C 147 -21.74 -2.03 -27.52 -19.28 -2.71 -26.40 -20.51 -2.37 -26.96 3 0 1000.00 -999 ? >VAL~C 148 -20.92 -0.78 -31.91 -20.92 -2.36 -33.40 -20.92 -1.57 -32.66 3 0 1000.00 -999 ? >ARG~C 149 -24.47 5.33 -34.11 -27.00 3.60 -34.18 -25.73 4.47 -34.14 2 0 1000.00 -999 ? >ASP~C 150 -21.25 4.05 -28.28 -23.15 4.98 -28.15 -22.20 4.51 -28.22 2 0 1000.00 -999 ? >PHE~C 151 -16.20 -0.15 -29.48 -13.63 -1.25 -29.55 -14.92 -0.70 -29.51 3 0 1000.00 -999 ? >VAL~C 152 -16.29 2.90 -32.91 -16.48 2.08 -34.94 -16.39 2.49 -33.93 3 0 1000.00 -999 ? >ARG~C 153 -19.59 9.43 -31.56 -21.56 7.94 -29.74 -20.58 8.68 -30.65 2 0 1000.00 -999 ? >GLU~C 154 -16.69 6.80 -27.16 -16.84 8.94 -26.97 -16.77 7.87 -27.06 2 0 1000.00 -999 ? >ASP~C 155 -12.29 3.32 -31.25 -10.53 2.21 -31.05 -11.41 2.76 -31.15 2 0 1000.00 -999 ? >ALA~C 156 -11.86 7.31 -33.41 -12.97 7.75 -34.35 -12.42 7.53 -33.88 2 0 1000.00 -999 ? >LYS~C 157 -11.44 10.00 -30.74 -17.14 11.81 -28.65 -14.29 10.90 -29.70 2 0 1000.00 -999 ? >TYR~C 158 -7.97 5.62 -27.95 -5.52 4.27 -27.43 -6.75 4.94 -27.69 3 0 1000.00 -999 ? >LEU~C 159 -6.93 6.24 -33.03 -6.95 4.08 -33.41 -6.94 5.16 -33.22 3 0 1000.00 -999 ? >TYR~C 160 -7.62 13.11 -33.51 -6.68 15.64 -34.17 -7.15 14.38 -33.84 3 0 1000.00 -999 ? >SER~C 161 -5.32 12.02 -29.74 -6.60 11.20 -27.89 -5.96 11.61 -28.82 2 0 1000.00 -999 ? >SER~C 162 -2.73 9.21 -29.88 -4.05 7.27 -29.28 -3.39 8.24 -29.58 2 0 1000.00 -999 ? >LEU~C 163 -2.36 10.70 -34.52 -2.68 8.81 -35.65 -2.52 9.75 -35.08 3 0 1000.00 -999 ? >VAL~C 164 -1.81 13.99 -31.09 0.01 14.40 -29.88 -0.90 14.19 -30.49 3 0 1000.00 -999 ?