REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-NOV-06 2O35 COMPND HYPOTHETICAL PROTEIN DUF1244; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; SOURCE 3 ORGANISM_TAXID: 382; SOURCE 4 STRAIN: 1021; SOURCE 5 GENE: R02792, SMC04008; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET VECTOR AUTHOR Y.KIM,A.JOACHIMIAK,E.EVDOKIMOVA,M.KUDRITSKA,A.EDWARDS,A.SAVCHENKO, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 36 16 HET MSE A 61 8 HET MSE A 73 8 HET MSE B 36 8 HET MSE B 61 8 HET MSE B 73 8 HET MG A 201 1 HET MG B 201 1 SITE 1 AC1 3 MSE A 36 CYS A 42 CYS A 45 SITE 1 AC2 5 MSE B 36 PHE B 41 CYS B 42 ASN B 44 >SER.A 2 -14.42 50.77 4.40 -15.88 51.60 2.58 -15.15 51.18 3.49 2 0 26.12 -999 ? MG MG B 201 >GLU.A 3 -13.52 46.78 -0.28 -13.65 47.27 -2.35 -13.58 47.02 -1.31 2 0 27.90 -999 ? MG MG B 201 >ILE.A 4 -9.46 50.08 3.53 -8.66 50.99 2.94 -9.06 50.54 3.23 3 0 22.40 -999 ? MG MG B 201 >SER~A 5 -9.59 46.42 6.67 -7.79 44.86 6.36 -8.69 45.64 6.51 2 0 27.08 -999 ? MG MG B 201 >PRO~A 6 -9.78 46.28 11.00 -8.34 47.10 9.49 -9.06 46.69 10.24 3 0 27.11 -999 ? MG MG B 201 >GLU~A 7 -5.63 42.95 8.87 -7.27 43.08 10.22 -6.45 43.02 9.54 2 0 29.40 -999 ? MG MG B 201 >GLN~A 8 -5.74 46.00 3.61 -7.34 46.01 2.26 -6.54 46.00 2.94 2 0 25.37 -999 ? MG MG B 201 >ARG~A 9 -8.23 51.86 8.44 -10.57 53.22 6.96 -9.40 52.54 7.70 2 0 21.92 -999 ? MG MG B 201 >THR~A 10 -1.91 49.42 9.69 -1.74 48.01 11.39 -1.83 48.72 10.54 2 0 23.80 -999 ? MG MG B 201 >ALA~A 11 0.15 48.52 6.61 -0.34 47.54 5.45 -0.09 48.03 6.03 2 0 22.08 -999 ? MG MG B 201 >PHE~A 12 -2.53 51.27 3.41 -3.82 49.38 1.73 -3.17 50.32 2.57 3 0 19.79 -999 ? MG MG B 201 >GLU~A 13 -2.24 54.24 9.22 -3.53 53.55 10.80 -2.89 53.90 10.01 2 0 19.44 -999 ? MG MG B 201 >ALA~A 14 3.26 52.13 8.92 3.40 50.62 9.31 3.33 51.37 9.11 2 0 19.93 -999 ? MG MG B 201 >ALA~A 15 4.56 52.56 5.35 3.96 51.93 4.03 4.26 52.24 4.69 2 0 17.13 -999 ? MG MG B 201 >VAL~A 16 3.73 56.27 5.37 1.89 57.36 4.92 2.81 56.81 5.15 3 0 12.67 -999 ? MG MG B 201 >PHE~A 17 6.08 56.25 11.18 7.78 56.90 13.32 6.93 56.57 12.25 3 0 14.09 -999 ? MG MG A 201 >ARG~A 18 8.93 50.97 7.56 6.36 49.60 6.43 7.65 50.28 7.00 2 0 20.10 -999 ? MG MG B 201 >ARG~A 19 8.37 58.04 1.21 7.69 57.50 -1.81 8.03 57.77 -0.30 2 0 12.36 -999 ? MG MG B 201 >LEU~A 20 7.35 60.50 7.74 7.07 62.50 8.61 7.21 61.50 8.17 3 0 10.70 -999 ? MG MG B 201 >LEU~A 21 11.32 57.48 9.24 10.70 57.39 11.41 11.01 57.44 10.33 3 0 14.30 -999 ? MG MG A 201 >GLU~A 22 14.58 56.81 3.85 15.57 55.41 5.12 15.08 56.11 4.49 2 0 18.33 -999 ? MG MG B 201 >HIS~A 23 10.86 63.79 3.56 10.82 65.79 2.95 10.84 64.79 3.26 3 0 8.44 -999 ? MG MG B 201 >LEU~A 24 12.92 63.26 8.85 11.27 64.48 9.53 12.10 63.87 9.19 3 0 11.69 -999 ? MG MG A 201 >ARG~A 25 16.63 57.74 8.10 14.86 55.48 9.16 15.74 56.61 8.63 2 0 17.20 -999 ? MG MG A 201 >GLU~A 26 15.78 61.62 2.04 14.28 61.72 0.53 15.03 61.67 1.29 2 0 12.74 -999 ? MG MG B 201 >ARG~A 27 14.62 67.99 2.54 14.07 71.02 2.91 14.34 69.51 2.73 2 0 10.72 -999 ? MG MG B 201 >SER.A 28 19.06 66.54 7.56 21.00 65.72 6.32 20.03 66.13 6.94 2 0 17.64 -999 ? MG MG A 201 >ASP.A 29 19.32 70.98 5.53 17.45 70.73 4.56 18.38 70.85 5.04 2 0 14.26 -999 ? MG MG B 201 >VAL.A 30 16.01 70.79 8.79 13.95 70.56 8.02 14.98 70.68 8.41 3 0 12.84 -999 ? MG MG A 201 >GLN~A 31 18.18 73.46 12.09 20.17 73.14 12.76 19.18 73.30 12.43 2 0 13.46 -999 ? MG MG A 201 >ASN~A 32 15.24 68.83 16.29 15.42 66.79 15.62 15.33 67.81 15.96 2 0 7.02 -999 ? MG MG A 201 >ILE~A 33 15.56 74.17 17.28 15.27 74.81 17.66 15.41 74.49 17.47 3 0 8.81 -999 ? MG MG A 201 >ASP~A 34 13.38 75.21 12.50 14.98 76.53 12.88 14.18 75.87 12.69 2 0 12.14 -999 ? MG MG A 201 >LEU~A 35 10.91 70.34 13.25 10.80 69.18 11.45 10.85 69.76 12.35 3 0 7.83 -999 ? MG MG A 201 >MET?A 36 9.48 72.20 17.04 11.44 72.47 20.99 10.46 72.34 19.02 2 0 -4.83 -999 ? MG MG A 201s >ASN~A 37 10.03 77.05 16.69 11.34 77.12 18.33 10.69 77.08 17.51 2 0 9.37 -999 ? MG MG A 201 >LEU~A 38 7.30 75.35 12.32 6.33 75.73 10.40 6.82 75.54 11.36 3 0 11.86 -999 ? MG MG A 201 >ALA~A 39 4.88 72.38 14.16 5.20 71.25 13.17 5.04 71.82 13.67 2 0 8.91 -999 ? MG MG A 201 >GLY~A 40 5.12 71.58 17.89 5.45 71.12 17.30 5.28 71.35 17.60 1 0 6.40 -999 ? MG MG A 201 >PHE.A 41 6.04 67.03 15.13 6.13 66.67 12.33 6.09 66.85 13.73 3 0 7.42 -999 ? MG MG A 201 >CYH~A 42 10.39 67.16 15.91 11.89 67.50 18.26 11.14 67.33 17.09 2 0 -2.56 -999 ? MG MG A 201s >ARG~A 43 15.32 64.27 12.78 15.62 66.75 10.96 15.47 65.51 11.87 2 0 10.65 -999 ? MG MG A 201 >ASN~A 44 13.62 64.71 20.12 15.70 64.61 19.74 14.66 64.66 19.93 2 0 6.62 -999 ? MG MG A 201 >CYH~A 45 9.00 63.88 19.55 8.32 66.49 20.22 8.66 65.18 19.88 2 0 -2.27 -999 ? MG MG A 201s >LEU~A 46 9.25 61.16 15.46 8.24 61.88 13.66 8.74 61.52 14.56 3 0 8.49 -999 ? MG MG A 201 >SER~A 47 11.21 58.97 18.87 13.42 59.75 18.15 12.32 59.36 18.51 2 0 9.09 -999 ? MG MG A 201 >ASN~A 48 9.14 61.13 22.70 8.17 61.05 24.62 8.66 61.09 23.66 2 0 8.57 -999 ? MG MG A 201 >TRP~A 49 4.54 61.49 20.87 4.03 63.78 17.71 4.29 62.63 19.29 3 0 7.86 -999 ? MG MG A 201 >TYR~A 50 8.84 54.23 17.61 9.30 51.73 16.48 9.07 52.98 17.05 3 0 15.31 -999 ? MG MG A 201 >ARG~A 51 11.22 55.15 25.55 11.89 56.43 28.32 11.55 55.79 26.93 2 0 14.40 -999 ? MG MG A 201 >GLU~A 52 5.54 57.89 25.07 4.71 59.85 25.12 5.12 58.87 25.09 2 0 11.01 -999 ? MG MG A 201 >ALA~A 53 3.65 53.29 21.45 3.83 53.45 19.89 3.74 53.37 20.67 2 0 15.79 -999 ? MG MG A 201 >ALA~A 54 5.84 50.38 22.32 7.33 50.32 22.18 6.59 50.35 22.25 2 0 18.00 -999 ? MG MG A 201 >GLU~A 55 7.18 52.09 26.83 8.36 53.07 28.28 7.77 52.58 27.56 2 0 17.17 -999 ? MG MG A 201 >ALA~A 56 1.39 51.19 25.40 0.80 52.21 24.45 1.09 51.70 24.93 2 0 18.82 -999 ? MG MG A 201 >SER~A 57 1.67 47.77 23.74 1.58 48.52 21.41 1.63 48.15 22.57 2 0 21.26 -999 ? MG MG A 201 >GLY.A 58 3.44 46.09 26.58 3.90 46.45 26.06 3.67 46.27 26.32 1 0 23.81 -999 ? MG MG A 201 >VAL.A 59 7.03 46.44 25.34 7.58 45.66 23.35 7.30 46.05 24.34 3 0 22.54 -999 ? MG MG A 201 >PRO.A 60 9.42 46.69 29.01 9.06 47.92 27.20 9.24 47.31 28.11 3 0 22.25 -999 ? MG MG A 201 >MET?A 61 11.94 50.48 25.36 11.25 51.60 21.26 11.59 51.04 23.31 2 0 16.49 -999 ? MG MG A 201 >SER~A 62 14.66 53.00 26.19 16.75 52.55 25.08 15.70 52.78 25.64 2 0 17.61 -999 ? MG MG A 201 >LYS~A 63 15.03 56.59 24.98 16.35 61.95 27.46 15.69 59.27 26.22 2 0 11.55 -999 ? MG MG A 201 >GLU~A 64 20.13 56.66 24.15 19.88 58.54 23.06 20.01 57.60 23.60 2 0 14.02 -999 ? MG MG A 201 >GLU~A 65 16.77 50.34 22.63 16.14 49.26 24.42 16.46 49.80 23.53 2 0 20.20 -999 ? MG MG A 201 >SER~A 66 13.54 54.73 20.14 12.93 56.51 21.72 13.24 55.62 20.93 2 0 11.98 -999 ? MG MG A 201 >ARG~A 67 17.05 59.94 21.34 18.17 62.46 22.67 17.61 61.20 22.01 2 0 10.23 -999 ? MG MG A 201 >GLU~A 68 19.83 53.66 18.43 20.40 52.02 19.65 20.12 52.84 19.04 2 0 19.05 -999 ? MG MG A 201 >ILE~A 69 13.54 53.15 15.90 13.35 51.90 15.40 13.45 52.52 15.65 3 0 16.41 -999 ? MG MG A 201 >VAL~A 70 13.80 57.19 14.15 12.40 58.72 14.94 13.10 57.95 14.54 3 0 11.80 -999 ? MG MG A 201 >TYR~A 71 17.79 60.32 14.98 16.97 62.72 16.21 17.38 61.52 15.60 3 0 10.72 -999 ? MG MG A 201 >GLY~A 72 18.57 55.29 11.61 18.95 55.74 12.22 18.76 55.51 11.91 1 0 17.43 -999 ? MG MG A 201 >MET?A 73 21.69 55.64 13.74 23.24 59.16 11.76 22.47 57.40 12.75 2 0 17.88 -999 ? MG MG A 201 >PRO~A 74 24.63 54.93 17.02 22.72 56.10 16.64 23.67 55.51 16.83 3 0 18.76 -999 ? MG MG A 201 >TYR~A 75 20.28 61.77 19.55 19.65 64.52 19.78 19.97 63.15 19.66 3 0 11.07 -999 ? MG MG A 201 >GLU~A 76 25.47 58.88 20.65 23.44 58.56 21.29 24.45 58.72 20.97 2 0 16.46 -999 ? MG MG A 201 >GLU~A 77 27.49 57.77 15.80 28.29 56.35 14.44 27.89 57.06 15.12 2 0 22.35 -999 ? MG MG A 201 >TRP~A 78 20.69 62.51 12.12 19.43 65.74 14.02 20.06 64.12 13.07 3 0 12.77 -999 ? MG MG A 201 >ARG~A 79 23.65 66.08 20.02 25.46 68.42 21.04 24.56 67.25 20.53 2 0 15.50 -999 ? MG MG A 201 >THR.A 80 27.51 65.21 14.26 29.43 64.32 14.82 28.47 64.77 14.54 2 0 20.41 -999 ? MG MG A 201 >SER.B 2 13.68 44.54 24.15 15.24 42.70 24.46 14.46 43.62 24.31 2 0 26.21 -999 ? MG MG A 201 >GLU.B 3 15.42 40.33 21.82 15.66 38.96 23.41 15.54 39.64 22.61 2 0 29.78 -999 ? MG MG A 201 >ILE.B 4 10.78 44.49 18.76 10.59 45.68 19.10 10.69 45.09 18.93 3 0 22.93 -999 ? MG MG A 201 >SER~B 5 9.02 41.10 16.04 6.55 40.84 16.13 7.79 40.97 16.08 2 0 27.63 -999 ? MG MG A 201 >PRO~B 6 9.63 40.62 11.73 8.73 42.16 13.13 9.18 41.39 12.43 3 0 27.65 -999 ? MG MG A 201 >GLU~B 7 3.70 40.41 12.48 5.42 39.13 12.29 4.56 39.77 12.38 2 0 30.20 -999 ? MG MG A 201 >GLN~B 8 5.57 43.10 18.59 6.77 42.45 20.14 6.17 42.78 19.37 2 0 25.74 -999 ? MG MG A 201 >ARG~B 9 10.84 46.02 15.07 12.30 48.03 16.91 11.57 47.03 15.99 2 0 20.31 -999 ? MG MG A 201 >THR~B 10 4.93 47.64 12.06 4.50 46.51 10.20 4.71 47.08 11.13 2 0 24.07 -999 ? MG MG B 201 >ALA~B 11 2.27 48.08 14.79 1.96 47.03 15.91 2.11 47.56 15.35 2 0 22.80 -999 ? MG MG A 201 >PHE~B 12 5.88 49.38 18.18 6.12 47.29 20.04 6.00 48.34 19.11 3 0 20.07 -999 ? MG MG A 201 >GLU~B 13 7.25 51.53 12.13 8.05 50.18 10.65 7.65 50.85 11.39 2 0 20.18 -999 ? MG MG A 201 >ALA~B 14 1.39 52.63 12.43 0.44 51.49 12.20 0.91 52.06 12.31 2 0 20.58 -999 ? MG MG A 201 >ALA~B 15 0.58 53.83 15.94 0.70 53.02 17.24 0.64 53.42 16.59 2 0 17.83 -999 ? MG MG A 201 >VAL~B 16 3.24 56.55 15.95 5.32 56.49 16.42 4.28 56.52 16.18 3 0 13.35 -999 ? MG MG A 201 >PHE~B 17 1.08 57.59 10.14 0.00 58.96 7.95 0.54 58.28 9.05 3 0 13.53 -999 ? MG MG B 201 >ARG~B 18 -3.96 54.79 14.05 -2.82 52.01 14.95 -3.39 53.40 14.50 2 0 21.08 -999 ? MG MG A 201 >ARG~B 19 0.37 59.97 20.23 1.66 61.24 22.57 1.01 60.60 21.40 2 0 11.05 -999 ? MG MG A 201 >LEU~B 20 2.39 61.99 13.29 3.48 63.47 12.17 2.93 62.73 12.73 3 0 11.38 -999 ? MG MG A 201 >LEU~B 21 -2.81 61.48 12.10 -2.57 60.82 10.07 -2.69 61.15 11.09 3 0 14.06 -999 ? MG MG B 201 >GLU~B 22 -4.98 61.62 17.19 -6.81 62.52 16.63 -5.89 62.07 16.91 2 0 17.99 -999 ? MG MG A 201 >HIS~B 23 1.25 66.98 17.00 2.34 68.66 17.62 1.80 67.82 17.31 3 0 8.62 -999 ? MG MG A 201 >LEU~B 24 -0.86 67.19 11.84 1.12 67.04 11.07 0.13 67.12 11.46 3 0 11.00 -999 ? MG MG B 201 >ARG~B 25 -6.90 64.44 12.88 -6.93 61.49 12.09 -6.91 62.96 12.48 2 0 16.90 -999 ? MG MG B 201 >GLU~B 26 -4.43 67.86 18.86 -3.01 66.80 20.03 -3.72 67.33 19.44 2 0 13.07 -999 ? MG MG A 201 >ARG~B 27 -0.19 72.53 17.87 1.93 74.69 17.34 0.87 73.61 17.60 2 0 10.81 -999 ? MG MG A 201 >SER.B 28 -4.72 73.09 12.83 -6.57 73.20 14.49 -5.64 73.14 13.66 2 0 17.37 -999 ? MG MG B 201 >ASP.B 29 -2.66 77.27 14.29 -1.46 76.12 15.64 -2.06 76.69 14.96 2 0 14.70 -999 ? MG MG A 201 >VAL.B 30 0.22 74.88 11.55 1.90 73.80 12.45 1.06 74.34 12.00 3 0 12.42 -999 ? MG MG B 201 >GLN~B 31 -0.60 78.12 7.52 -0.49 79.41 5.88 -0.54 78.76 6.70 2 0 12.32 -999 ? MG MG B 201 >ASN~B 32 0.10 72.53 4.12 -1.37 71.30 5.01 -0.64 71.92 4.57 2 0 6.83 -999 ? MG MG B 201 >ILE~B 33 2.46 77.13 2.48 1.57 78.07 1.90 2.01 77.60 2.19 3 0 9.00 -999 ? MG MG B 201 >ASP~B 34 4.51 77.48 7.45 4.20 79.58 7.03 4.36 78.53 7.24 2 0 12.24 -999 ? MG MG B 201 >LEU~B 35 4.45 71.88 6.90 3.55 71.39 8.85 4.00 71.64 7.88 3 0 7.26 -999 ? MG MG B 201 >MET?B 36 6.46 72.68 3.01 6.11 70.49 0.52 6.29 71.58 1.76 2 0 -2.99 -999 ? MG MG B 201s >ASN~B 37 8.31 77.16 3.38 6.83 77.93 2.01 7.57 77.54 2.69 2 0 9.66 -999 ? MG MG B 201 >LEU~B 38 9.81 74.50 7.70 10.88 74.43 9.61 10.35 74.47 8.65 3 0 11.47 -999 ? MG MG B 201 >ALA~B 39 10.55 70.74 5.95 9.78 70.15 7.16 10.17 70.44 6.55 2 0 8.61 -999 ? MG MG B 201 >GLY~B 40 9.81 69.63 2.35 9.33 69.47 2.99 9.57 69.55 2.67 1 0 6.26 -999 ? MG MG B 201 >PHE.B 41 6.88 66.57 5.63 6.85 66.78 8.43 6.87 66.68 7.03 3 0 -6.97 -999 ? MG MG B 201s >CYH~B 42 3.19 68.68 4.66 2.09 69.56 2.21 2.64 69.12 3.44 2 0 -2.05 -999 ? MG MG B 201s >ARG~B 43 -2.23 69.25 7.43 -3.39 68.63 10.15 -2.81 68.93 8.79 2 0 11.44 -999 ? MG MG B 201 >ASN~B 44 -0.82 67.85 0.47 0.69 68.11 -1.02 -0.06 67.98 -0.28 2 0 -3.82 -999 ? MG MG B 201s >CYH~B 45 2.74 64.77 1.11 4.74 66.70 0.56 3.74 65.73 0.83 2 0 -2.44 -999 ? MG MG B 201s >LEU~B 46 1.14 62.90 5.32 2.55 63.19 7.06 1.85 63.04 6.19 3 0 7.86 -999 ? MG MG B 201 >SER~B 47 -1.79 61.90 2.01 -3.25 63.67 2.76 -2.52 62.78 2.39 2 0 8.80 -999 ? MG MG B 201 >ASN~B 48 1.01 62.33 -1.90 -0.06 64.12 -2.39 0.47 63.23 -2.15 2 0 7.02 -999 ? MG MG B 201 >TRP~B 49 5.09 60.38 -0.14 6.80 62.13 2.93 5.94 61.25 1.39 3 0 7.89 -999 ? MG MG B 201 >TYR~B 50 -2.32 56.70 3.64 -4.10 55.03 4.96 -3.21 55.87 4.30 3 0 15.01 -999 ? MG MG B 201 >ARG~B 51 -3.47 58.97 -4.43 -4.48 59.92 -7.20 -3.98 59.45 -5.82 2 0 14.72 -999 ? MG MG B 201 >GLU~B 52 2.44 57.45 -3.77 4.33 58.14 -4.42 3.38 57.80 -4.10 2 0 12.08 -999 ? MG MG B 201 >ALA~B 53 1.23 52.80 -0.28 1.38 53.01 1.24 1.31 52.90 0.48 2 0 15.98 -999 ? MG MG B 201 >ALA~B 54 -2.38 51.78 -0.81 -3.61 52.67 -0.53 -3.00 52.22 -0.67 2 0 17.82 -999 ? MG MG B 201 >GLU~B 55 -2.85 54.09 -5.14 -3.42 55.34 -6.71 -3.14 54.72 -5.93 2 0 17.18 -999 ? MG MG B 201 >ALA~B 56 1.10 49.57 -4.29 2.35 49.97 -3.55 1.72 49.77 -3.92 2 0 19.48 -999 ? MG MG B 201 >SER~B 57 -0.96 47.24 -2.13 -0.30 47.93 0.03 -0.63 47.58 -1.05 2 0 21.30 -999 ? MG MG B 201 >GLY.B 58 -3.58 47.00 -4.87 -3.69 47.49 -4.20 -3.63 47.24 -4.53 1 0 23.79 -999 ? MG MG B 201 >VAL.B 59 -6.05 49.41 -3.29 -6.74 49.27 -1.19 -6.40 49.34 -2.24 3 0 22.22 -999 ? MG MG B 201 >PRO.B 60 -8.06 50.40 -7.03 -7.09 51.51 -5.35 -7.58 50.96 -6.19 3 0 22.39 -999 ? MG MG B 201 >MET?B 61 -7.65 55.46 -3.84 -6.20 55.93 0.18 -6.93 55.69 -1.83 2 0 16.30 -999 ? MG MG B 201 >SER~B 62 -8.22 59.02 -5.06 -10.37 59.62 -3.99 -9.30 59.32 -4.52 2 0 17.61 -999 ? MG MG B 201 >LYS~B 63 -6.36 62.17 -4.00 -5.58 67.71 -6.58 -5.97 64.94 -5.29 2 0 12.17 -999 ? MG MG B 201 >GLU~B 64 -11.24 64.91 -2.82 -10.80 65.66 -4.77 -11.02 65.29 -3.80 2 0 16.01 -999 ? MG MG B 201 >GLU~B 65 -11.56 58.26 -1.47 -11.72 56.63 -2.85 -11.64 57.44 -2.16 2 0 20.08 -999 ? MG MG B 201 >SER~B 66 -6.33 59.75 1.03 -5.04 60.83 -0.65 -5.69 60.29 0.19 2 0 12.00 -999 ? MG MG B 201 >ARG~B 67 -5.95 66.24 -0.05 -4.65 68.11 -2.10 -5.30 67.18 -1.08 2 0 9.02 -999 ? MG MG B 201 >GLU~B 68 -12.31 61.63 4.61 -14.09 61.03 3.60 -13.20 61.33 4.11 2 0 19.58 -999 ? MG MG B 201 >ILE~B 69 -6.99 58.58 5.24 -6.72 57.31 5.04 -6.86 57.94 5.14 3 0 15.67 -999 ? MG MG B 201 >VAL~B 70 -4.91 62.14 6.91 -2.98 62.76 6.09 -3.95 62.45 6.50 3 0 11.29 -999 ? MG MG B 201 >TYR~B 71 -6.69 66.93 5.99 -4.70 68.40 4.59 -5.70 67.66 5.29 3 0 10.33 -999 ? MG MG B 201 >GLY~B 72 -9.90 63.14 9.58 -10.07 63.64 8.94 -9.98 63.39 9.26 1 0 16.97 -999 ? MG MG B 201 >MET?B 73 -12.63 64.92 7.61 -12.29 68.85 9.45 -12.46 66.89 8.53 2 0 18.01 -999 ? MG MG B 201 >PRO~B 74 -15.53 65.23 4.21 -13.36 65.63 4.68 -14.44 65.43 4.45 3 0 18.76 -999 ? MG MG B 201 >TYR~B 75 -8.42 69.06 1.70 -6.70 71.11 0.97 -7.56 70.08 1.34 3 0 11.35 -999 ? MG MG B 201 >GLU~B 76 -13.64 70.27 -0.30 -13.43 68.17 -0.76 -13.54 69.22 -0.53 2 0 17.27 -999 ? MG MG B 201 >GLU~B 77 -16.73 69.72 6.38 -17.69 67.85 6.03 -17.21 68.78 6.21 2 0 21.97 -999 ? MG MG B 201 >TRP~B 78 -8.44 70.43 9.02 -5.59 72.23 6.96 -7.01 71.33 7.99 3 0 12.95 -999 ? MG MG B 201 >ARG~B 79 -10.53 73.84 1.52 -11.93 73.97 -1.21 -11.23 73.91 0.15 2 0 16.65 -999 ? MG MG B 201 >THR~B 80 -12.89 76.10 4.96 -14.62 75.18 3.91 -13.75 75.64 4.44 2 0 19.60 -999 ? MG MG B 201 >GLN~B 81 -13.98 74.32 10.13 -14.53 72.27 10.46 -14.25 73.30 10.29 2 0 20.75 -999 ? MG MG B 201 >ASN.B 82 -9.21 78.58 6.47 -7.30 78.57 5.45 -8.26 78.58 5.96 2 0 15.32 -999 ? MG MG B 201 >GLY.B 84 -9.61 82.57 8.58 -9.20 82.11 9.10 -9.40 82.34 8.84 1 0 20.52 -999 ? MG MG B 201 >GLU.B 85 -10.15 80.50 13.98 -9.86 78.83 15.19 -10.00 79.66 14.58 2 0 21.91 -999 ? MG MG B 201 >ALA.B 86 -6.58 83.78 14.73 -7.04 84.61 15.90 -6.81 84.20 15.31 2 0 24.11 -999 ? MG MG B 201 >SER~B 87 -3.19 82.17 15.56 -1.62 84.00 15.64 -2.40 83.08 15.60 2 0 20.25 -999 ? MG MG A 201 >PRO~B 88 -1.88 78.76 17.94 -2.58 80.81 18.34 -2.23 79.79 18.14 3 0 17.10 -999 ? MG MG A 201 >GLU~B 89 1.10 84.38 17.82 1.50 82.67 16.62 1.30 83.53 17.22 2 0 17.30 -999 ? MG MG A 201 >GLN~B 90 -2.50 86.55 16.23 -3.28 86.59 14.24 -2.89 86.57 15.23 2 0 23.13 -999 ? MG MG B 201 >LYS~B 91 -5.78 84.30 20.75 -8.20 79.54 17.63 -6.99 81.92 19.19 2 0 21.69 -999 ? MG MG A 201 >ALA~B 92 -3.50 84.55 23.81 -2.17 83.80 23.97 -2.84 84.18 23.89 2 0 20.37 -999 ? MG MG A 201 >ALA~B 93 -2.83 88.19 23.23 -1.97 88.79 22.16 -2.40 88.49 22.70 2 0 24.11 -999 ? MG MG A 201 >PHE~B 94 -5.03 90.85 20.44 -2.72 91.97 19.33 -3.88 91.41 19.89 3 0 27.23 -999 ? MG MG A 201 >GLU~B 95 -9.58 86.56 20.85 -9.43 85.18 19.27 -9.50 85.87 20.06 2 0 25.96 -999 ? MG MG A 201 >ARG.B 96 -7.71 84.40 29.43 -5.86 82.65 31.19 -6.79 83.52 30.31 2 0 24.36 -999 ? MG MG A 201 >ASN.B 97 -7.33 90.22 30.10 -5.92 89.26 31.39 -6.62 89.74 30.75 2 0 28.94 -999 ? MG MG A 201