REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-APR-07 2YXH COMPND MAZG-RELATED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS (DE3)-RIL-X; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR B.PADMANABHAN,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 57 8 HET MSE B 57 8 HET MG A 501 1 HET MG A 502 1 HET MG B 503 1 HET MG B 504 1 SITE 1 AC1 6 GLU A 34 ASP A 60 HOH A 569 HOH A 607 SITE 1 AC2 6 GLU A 34 GLU A 37 GLU A 53 ASP A 56 SITE 1 AC3 6 GLU B 34 ASP B 60 HOH B 507 HOH B 523 SITE 1 AC4 6 GLU B 34 GLU B 37 GLU B 53 ASP B 56 >MET?A 1 53.09 24.88 53.94 55.15 24.34 57.18 54.12 24.61 55.56 2 0 16.81 -999 ? MG MG A 502 >VAL.A 2 53.51 23.44 50.41 51.85 22.87 49.09 52.68 23.15 49.75 3 0 17.10 -999 ? MG MG A 501 >GLU.A 3 56.48 28.45 48.34 56.30 30.55 48.91 56.39 29.50 48.63 2 0 23.35 -999 ? MG MG A 501 >ARG.A 4 58.14 26.82 55.53 60.73 25.58 56.75 59.43 26.20 56.14 2 0 18.22 -999 ? MG MG A 501 >LEU.A 5 56.85 20.74 50.94 56.98 18.74 51.26 56.91 19.74 51.10 3 0 12.37 -999 ? MG MG A 501 >LEU.A 6 58.00 23.08 46.37 56.27 22.53 45.25 57.14 22.81 45.81 3 0 16.82 -999 ? MG MG A 501 >GLU.A 7 60.79 26.83 49.00 60.30 28.31 50.53 60.55 27.57 49.77 2 0 20.69 -999 ? MG MG A 501 >ILE.A 8 62.21 20.82 51.58 62.69 20.11 52.90 62.45 20.47 52.24 3 0 13.05 -999 ? MG MG A 501 >ILE.A 9 61.38 19.02 46.66 61.05 17.64 46.57 61.21 18.33 46.61 3 0 12.46 -999 ? MG MG A 501 >GLU.A 10 65.65 24.06 44.22 66.07 23.32 42.14 65.86 23.69 43.18 2 0 20.08 -999 ? MG MG A 501 >ARG.A 11 66.71 24.18 51.19 68.14 26.82 51.44 67.42 25.50 51.31 2 0 20.99 -999 ? MG MG A 501 >SER.A 12 67.62 18.25 47.85 65.95 17.38 49.43 66.79 17.81 48.64 2 0 12.13 -999 ? MG MG A 501 >LEU.A 13 67.14 18.90 43.04 65.55 17.69 42.13 66.35 18.29 42.59 3 0 16.33 -999 ? MG MG A 501 >ARG.A 14 70.23 24.45 43.64 70.25 25.72 46.54 70.24 25.08 45.09 2 0 21.92 -999 ? MG MG A 501 >LYS.A 15 72.65 19.45 47.53 73.72 24.01 49.75 73.18 21.73 48.64 2 0 21.85 -999 ? MG MG A 501 >CYH~A 16 71.70 16.01 48.72 70.25 14.23 50.08 70.98 15.12 49.40 2 0 12.92 -999 ? MG MG A 501 >PRO~A 17 75.06 13.61 50.28 73.82 13.71 48.37 74.44 13.66 49.33 3 0 16.52 -999 ? MG MG A 501 >TRP~A 18 70.17 7.98 50.81 66.52 9.19 49.92 68.34 8.59 50.36 3 0 9.32 -999 ? MG MG A 501 >LEU~A 19 68.25 13.14 46.77 66.25 13.36 45.79 67.25 13.25 46.28 3 0 11.67 -999 ? MG MG A 501 >GLU~A 20 73.99 11.94 42.98 75.73 13.20 42.79 74.86 12.57 42.88 2 0 19.97 -999 ? MG MG A 501 >LYS~A 21 71.99 8.10 44.24 75.90 9.25 41.92 73.94 8.67 43.08 2 0 19.90 -999 ? MG MG A 501 >GLN.A 22 67.67 8.17 46.60 68.86 6.58 47.37 68.27 7.37 46.98 2 0 11.05 -999 ? MG MG A 501 >SER~A 23 66.43 6.23 41.00 66.03 3.90 41.05 66.23 5.07 41.02 2 0 14.20 -999 ? MG MG A 501 >ILE~A 24 62.17 7.52 38.96 61.29 7.81 37.93 61.73 7.67 38.45 3 0 14.75 -999 ? MG MG A 501 >GLU~A 25 62.71 1.88 38.65 64.00 2.71 37.13 63.36 2.29 37.89 2 0 17.28 -999 ? MG MG A 501 >THR~A 26 63.64 3.37 44.22 65.66 3.24 45.03 64.65 3.30 44.63 2 0 11.09 -999 ? MG MG A 501 >LEU~A 27 61.81 7.77 44.39 63.49 8.94 45.12 62.65 8.35 44.75 3 0 8.88 -999 ? MG MG A 501 >LEU~A 28 58.31 4.12 42.29 57.26 5.15 40.72 57.79 4.64 41.50 3 0 12.05 -999 ? MG MG A 501 >GLU~A 29 60.16 -0.28 45.62 62.00 -0.90 44.68 61.08 -0.59 45.15 2 0 12.31 -999 ? MG MG A 501 >ALA~A 30 59.63 4.47 49.00 60.63 5.56 49.09 60.13 5.02 49.05 2 0 4.66 -999 ? MG MG A 501 >LEU~A 31 55.87 6.66 46.75 54.14 7.95 46.63 55.01 7.31 46.69 3 0 7.75 -999 ? MG MG A 501 >ALA~A 32 54.45 2.53 48.01 54.72 1.33 47.10 54.59 1.93 47.56 2 0 9.95 -999 ? MG MG A 501 >SER~A 33 55.95 2.10 51.46 58.20 1.10 51.51 57.07 1.60 51.49 2 0 6.96 -999 ? MG MG A 501 >GLU~A 34 56.05 7.15 52.62 56.81 7.27 54.60 56.43 7.21 53.61 2 0 2.63 -999 ? MG MG A 502s >ILE~A 35 50.98 3.64 50.06 50.23 3.31 48.84 50.60 3.48 49.45 3 0 10.38 -999 ? MG MG A 502 >GLU~A 36 52.27 -0.69 52.29 50.36 -1.72 51.86 51.31 -1.20 52.08 2 0 12.19 -999 ? MG MG A 502 >GLU~A 37 54.67 3.50 56.83 56.38 4.66 57.38 55.53 4.08 57.10 2 0 -2.92 -999 ? MG MG A 502s >VAL~A 38 49.05 5.46 55.95 48.56 7.13 54.61 48.81 6.29 55.28 3 0 7.77 -999 ? MG MG A 502 >ALA~A 39 46.85 2.34 55.63 47.10 1.30 54.67 46.98 1.82 55.15 2 0 11.36 -999 ? MG MG A 502 >GLU~A 40 49.89 0.65 60.83 49.03 -1.04 61.88 49.46 -0.20 61.35 2 0 12.18 -999 ? MG MG A 502 >ALA~A 41 47.43 4.46 60.71 48.13 5.72 60.51 47.78 5.09 60.61 2 0 8.97 -999 ? MG MG A 502 >VAL~A 42 43.89 4.53 59.32 42.93 4.98 57.39 43.41 4.75 58.35 3 0 13.19 -999 ? MG MG A 502 >LYS~A 43 43.42 0.98 60.60 45.76 -2.62 56.27 44.59 -0.82 58.43 2 0 14.65 -999 ? MG MG A 502 >LYS~A 44 44.32 2.08 64.12 47.27 -2.78 65.09 45.79 -0.35 64.60 2 0 15.83 -999 ? MG MG A 502 >ASN.A 45 41.09 5.38 64.80 39.60 4.31 63.71 40.34 4.85 64.25 2 0 18.18 -999 ? MG MG A 502 >ASP~A 46 47.19 5.94 65.11 48.71 6.83 66.32 47.95 6.38 65.71 2 0 11.89 -999 ? MG MG A 502 >LEU~A 47 44.28 11.15 64.96 42.22 10.96 64.64 43.25 11.06 64.80 3 0 15.47 -999 ? MG MG A 502 >ALA~A 48 48.84 11.75 65.17 49.51 11.68 66.50 49.18 11.71 65.84 2 0 12.23 -999 ? MG MG A 502 >ASN~A 49 50.54 7.51 63.44 51.86 6.37 62.11 51.20 6.94 62.78 2 0 6.73 -999 ? MG MG A 502 >LEU~A 50 46.39 9.32 60.29 45.17 8.90 58.48 45.78 9.11 59.38 3 0 10.81 -999 ? MG MG A 502 >GLU~A 51 49.36 15.41 60.94 49.24 16.65 62.67 49.30 16.03 61.81 2 0 12.73 -999 ? MG MG A 502 >GLU~A 52 54.98 11.18 60.80 55.88 9.32 61.56 55.43 10.25 61.18 2 0 4.76 -999 ? MG MG A 502 >GLU~A 53 52.10 7.52 58.77 54.25 7.22 58.73 53.17 7.37 58.75 2 0 -2.57 -999 ? MG MG A 502s >ILE~A 54 48.78 12.68 55.54 47.83 12.25 54.41 48.31 12.47 54.97 3 0 9.58 -999 ? MG MG A 502 >GLY~A 55 52.98 14.30 55.22 52.98 13.49 55.08 52.98 13.89 55.15 1 0 7.74 -999 ? MG MG A 502 >ASP~A 56 55.60 10.26 55.31 56.77 10.43 57.03 56.18 10.34 56.17 2 0 -2.92 -999 ? MG MG A 502s >MET?A 57 53.38 10.39 51.66 49.28 9.40 50.55 51.33 9.89 51.10 2 0 9.77 -999 ? MG MG A 502 >ILE~A 58 52.32 14.94 50.41 51.30 15.18 49.42 51.81 15.06 49.91 3 0 10.99 -999 ? MG MG A 501 >TYR~A 59 59.00 14.31 51.62 61.86 14.22 51.61 60.43 14.26 51.61 3 0 6.70 -999 ? MG MG A 501 >ASP~A 60 57.40 9.73 49.45 58.84 9.29 51.04 58.12 9.51 50.24 2 0 -2.56 -999 ? MG MG A 501s >ALA~A 61 55.32 11.53 45.86 53.90 11.88 45.93 54.61 11.71 45.90 2 0 9.89 -999 ? MG MG A 501 >LEU~A 62 56.75 16.10 46.26 55.37 17.71 45.96 56.06 16.91 46.11 3 0 11.93 -999 ? MG MG A 501 >LEU~A 63 61.07 12.51 46.48 62.56 13.27 47.88 61.81 12.89 47.18 3 0 8.11 -999 ? MG MG A 501 >VAL~A 64 59.18 10.99 42.62 58.11 9.06 42.40 58.64 10.03 42.51 3 0 10.77 -999 ? MG MG A 501 >ALA~A 65 58.10 14.11 40.72 57.12 15.23 41.13 57.61 14.67 40.92 2 0 14.12 -999 ? MG MG B 504 >ALA~A 66 61.58 15.63 41.34 62.22 15.96 42.72 61.90 15.79 42.03 2 0 13.44 -999 ? MG MG A 501 >VAL~A 67 63.55 12.77 39.92 64.61 11.10 40.96 64.08 11.94 40.44 3 0 14.03 -999 ? MG MG A 501 >ALA~A 68 61.12 12.47 36.97 59.65 12.47 37.04 60.38 12.47 37.00 2 0 13.69 -999 ? MG MG B 504 >GLN~A 69 62.82 18.53 36.58 62.80 20.28 37.95 62.81 19.41 37.26 2 0 19.86 -999 ? MG MG A 501 >ARG~A 70 68.41 13.84 39.69 68.22 11.10 40.97 68.32 12.47 40.33 2 0 15.27 -999 ? MG MG A 501 >ASP~A 71 66.12 10.74 35.66 67.58 10.46 37.20 66.85 10.60 36.43 2 0 17.98 -999 ? MG MG A 501 >TYR~A 72 62.81 9.97 32.93 63.89 7.36 33.46 63.35 8.66 33.20 3 0 16.36 -999 ? MG MG B 504 >GLY~A 73 63.12 16.16 32.15 62.54 15.64 32.39 62.83 15.90 32.27 1 0 18.64 -999 ? MG MG B 504 >ILE.A 74 58.69 14.93 34.03 57.83 14.34 32.95 58.26 14.63 33.49 3 0 13.57 -999 ? MG MG B 504 >ASP~A 75 57.97 20.58 33.17 57.69 22.54 33.87 57.83 21.56 33.52 2 0 18.81 -999 ? MG MG B 504 >LEU~A 76 56.39 19.59 38.79 55.26 18.88 40.50 55.82 19.23 39.64 3 0 15.58 -999 ? MG MG B 504 >GLU~A 77 55.22 24.38 37.32 54.38 24.13 39.29 54.80 24.26 38.30 2 0 19.00 -999 ? MG MG B 504 >SER~A 78 53.35 20.85 33.00 54.70 21.63 31.29 54.03 21.24 32.15 2 0 16.94 -999 ? MG MG B 504 >ALA~A 79 52.51 17.46 34.58 53.45 16.59 35.38 52.98 17.03 34.98 2 0 11.45 -999 ? MG MG B 504 >ILE~A 80 50.44 20.10 38.16 50.57 20.36 39.54 50.50 20.23 38.85 3 0 14.09 -999 ? MG MG B 504 >GLN~A 81 49.53 23.84 34.45 48.44 24.50 36.18 48.99 24.17 35.32 2 0 17.58 -999 ? MG MG B 504 >LYS~A 82 47.90 18.29 32.30 51.59 18.00 28.75 49.75 18.14 30.53 2 0 13.56 -999 ? MG MG B 504 >VAL~A 83 46.07 16.30 35.09 46.40 15.69 37.22 46.24 16.00 36.16 3 0 9.11 -999 ? MG MG B 504 >VAL~A 84 44.04 19.40 35.74 44.22 21.28 36.70 44.13 20.34 36.22 3 0 13.74 -999 ? MG MG B 504 >GLU~A 85 44.23 20.53 30.29 45.94 20.34 29.09 45.08 20.43 29.69 2 0 14.80 -999 ? MG MG B 504 >LYS~A 86 42.03 15.80 32.34 45.05 10.61 33.40 43.54 13.20 32.87 2 0 4.65 -999 ? MG MG B 504 >ILE~A 87 40.58 16.56 36.95 40.26 15.33 37.61 40.42 15.95 37.28 3 0 9.93 -999 ? MG MG B 503 >SER~A 88 38.22 19.26 34.41 39.93 20.90 34.98 39.08 20.08 34.69 2 0 15.22 -999 ? MG MG B 503 >HIS~A 89 37.54 16.75 28.98 36.38 16.16 27.35 36.96 16.46 28.17 3 0 15.70 -999 ? MG MG B 504 >ARG~A 90 38.83 11.56 32.79 40.79 9.34 31.79 39.81 10.45 32.29 2 0 7.72 -999 ? MG MG B 504 >LYS~A 91 34.28 15.78 35.79 35.87 13.23 41.07 35.08 14.51 38.43 2 0 10.36 -999 ? MG MG B 503 >PRO~A 92 31.52 17.63 32.90 32.94 18.26 34.51 32.23 17.94 33.70 3 0 17.16 -999 ? MG MG B 503 >TRP~A 93 30.80 16.59 39.62 31.57 13.78 36.91 31.18 15.19 38.26 3 0 15.30 -999 ? MG MG B 503 >LEU~A 94 34.59 19.96 39.37 35.37 18.18 40.26 34.98 19.07 39.81 3 0 15.08 -999 ? MG MG B 503 >PHE~A 95 34.77 23.59 36.83 37.42 22.79 37.27 36.09 23.19 37.05 3 0 18.21 -999 ? MG MG B 503 >TRP~A 96 29.02 22.90 35.02 27.62 19.40 33.87 28.32 21.15 34.44 3 0 21.78 -999 ? MG MG B 503 >GLU.A 97 24.86 27.08 41.85 24.36 29.21 41.59 24.61 28.15 41.72 2 0 29.73 -999 ? MG MG B 503 >GLU.A 98 21.56 23.59 40.47 20.71 23.82 42.45 21.13 23.70 41.46 2 0 28.89 -999 ? MG MG B 503 >LYS.A 99 25.18 19.34 42.53 26.93 16.56 47.58 26.05 17.95 45.06 2 0 21.13 -999 ? MG MG B 503 >ILE.A 100 25.00 16.35 38.92 25.94 16.55 37.89 25.47 16.45 38.40 3 0 20.87 -999 ? MG MG B 503 >SER~A 101 23.56 12.73 41.28 22.32 11.88 39.45 22.94 12.30 40.37 2 0 22.27 -999 ? MG MG B 503 >LEU~A 102 26.17 8.73 42.24 27.99 7.41 42.53 27.08 8.07 42.39 3 0 17.22 -999 ? MG MG B 503 >GLU~A 103 22.02 8.47 36.92 20.09 7.75 36.70 21.05 8.11 36.81 2 0 24.16 -999 ? MG MG B 503 >GLU~A 104 21.96 12.91 36.85 20.90 14.74 37.40 21.43 13.83 37.12 2 0 24.51 -999 ? MG MG B 503 >ALA~A 105 28.01 12.15 37.10 28.58 12.20 38.56 28.30 12.18 37.83 2 0 16.35 -999 ? MG MG B 503 >GLU~A 106 27.10 7.04 36.66 26.79 5.06 37.43 26.95 6.05 37.04 2 0 17.52 -999 ? MG MG B 503 >LYS~A 107 26.90 8.93 32.65 20.64 8.51 32.55 23.77 8.72 32.60 2 0 24.52 -999 ? MG MG B 503 >ILE~A 108 28.98 13.31 32.72 28.81 14.84 32.66 28.89 14.07 32.69 3 0 18.11 -999 ? MG MG B 503 >TRP~A 109 34.87 10.48 34.84 35.55 6.58 34.53 35.21 8.53 34.68 3 0 10.27 -999 ? MG MG B 503 >LYS~A 110 31.55 7.32 30.93 29.28 3.17 27.92 30.41 5.25 29.43 2 0 19.27 -999 ? MG MG B 503 >GLU~A 111 28.82 9.83 27.46 28.79 8.07 26.33 28.81 8.95 26.90 2 0 20.30 -999 ? MG MG B 503 >ARG~A 112 33.10 14.80 29.06 32.22 17.73 29.45 32.66 16.26 29.26 2 0 18.95 -999 ? MG MG B 503 >LYS~A 113 36.54 9.02 29.18 37.90 4.09 31.55 37.22 6.55 30.37 2 0 10.47 -999 ? MG MG B 504 >LYS~A 114 36.70 8.32 25.46 30.70 5.74 24.78 33.70 7.03 25.12 2 0 19.64 -999 ? MG MG B 504 >GLU~B 3 46.41 28.12 44.25 46.36 30.27 43.73 46.38 29.19 43.99 2 0 23.71 -999 ? MG MG B 503 >ARG~B 4 42.97 25.58 36.98 40.91 24.32 34.90 41.94 24.95 35.94 2 0 18.22 -999 ? MG MG B 503 >LEU~B 5 46.28 20.65 41.54 46.19 18.52 41.18 46.23 19.58 41.36 3 0 12.86 -999 ? MG MG B 503 >LEU~B 6 44.95 22.73 46.33 46.92 22.48 47.25 45.93 22.61 46.79 3 0 17.24 -999 ? MG MG B 503 >GLU~B 7 41.69 26.56 43.64 41.46 28.11 42.17 41.57 27.34 42.91 2 0 21.39 -999 ? MG MG B 503 >ILE~B 8 40.99 20.60 40.92 40.30 20.33 39.54 40.64 20.46 40.23 3 0 13.88 -999 ? MG MG B 503 >ILE~B 9 41.59 18.49 45.77 42.56 17.58 46.24 42.08 18.04 46.00 3 0 12.85 -999 ? MG MG B 503 >GLU~B 10 37.48 23.43 48.09 37.23 22.77 50.15 37.35 23.10 49.12 2 0 20.11 -999 ? MG MG B 503 >ARG~B 11 36.14 23.64 41.23 35.29 26.55 41.02 35.71 25.09 41.13 2 0 21.45 -999 ? MG MG B 503 >SER~B 12 35.52 17.65 44.52 37.27 16.88 43.06 36.40 17.26 43.79 2 0 12.43 -999 ? MG MG B 503 >LEU~B 13 35.95 18.23 49.46 37.56 16.92 50.34 36.76 17.58 49.90 3 0 16.40 -999 ? MG MG B 503 >ARG~B 14 32.41 22.32 49.81 32.92 20.09 51.91 32.66 21.21 50.86 2 0 21.08 -999 ? MG MG B 503 >LYS~B 15 30.40 18.78 44.71 28.79 23.23 43.84 29.59 21.01 44.28 2 0 22.65 -999 ? MG MG B 503 >CYH~B 16 31.58 15.41 43.57 33.03 13.54 42.35 32.31 14.48 42.96 2 0 13.08 -999 ? MG MG B 503 >PRO~B 17 28.17 13.07 42.10 29.46 13.16 43.99 28.82 13.12 43.05 3 0 16.75 -999 ? MG MG B 503 >TRP~B 18 33.26 7.39 41.50 37.03 8.25 42.47 35.14 7.82 41.98 3 0 9.24 -999 ? MG MG B 503 >LEU~B 19 35.10 12.65 45.57 36.89 13.08 46.79 36.00 12.87 46.18 3 0 11.89 -999 ? MG MG B 503 >GLU~B 20 29.46 12.19 49.46 27.50 12.96 49.10 28.48 12.58 49.28 2 0 19.95 -999 ? MG MG B 503 >LYS~B 21 31.44 7.47 48.18 26.39 8.23 46.32 28.92 7.85 47.25 2 0 18.91 -999 ? MG MG B 503 >GLN~B 22 35.75 7.69 46.01 35.07 5.83 45.27 35.41 6.76 45.64 2 0 10.65 -999 ? MG MG B 503 >SER~B 23 37.02 5.81 51.46 37.57 3.55 51.31 37.29 4.68 51.38 2 0 13.76 -999 ? MG MG B 503 >ILE~B 24 41.21 7.25 53.48 42.18 7.41 54.57 41.70 7.33 54.02 3 0 14.54 -999 ? MG MG B 503 >GLU~B 25 40.84 1.60 53.86 39.55 2.65 55.19 40.19 2.12 54.52 2 0 16.73 -999 ? MG MG B 503 >THR~B 26 39.91 2.90 48.24 38.02 2.99 47.44 38.96 2.94 47.84 2 0 10.63 -999 ? MG MG B 503 >LEU~B 27 41.57 7.38 48.05 39.96 8.72 47.24 40.76 8.05 47.64 3 0 8.68 -999 ? MG MG B 503 >LEU~B 28 45.30 3.97 50.21 46.19 5.03 51.95 45.75 4.50 51.08 3 0 11.80 -999 ? MG MG B 503 >GLU~B 29 43.58 -0.53 45.81 45.63 -1.21 45.50 44.61 -0.87 45.66 2 0 10.21 -999 ? MG MG B 503 >ALA~B 30 43.97 4.32 43.52 42.92 5.43 43.40 43.44 4.88 43.46 2 0 4.20 -999 ? MG MG B 503 >LEU~B 31 47.77 6.48 45.69 49.36 7.99 45.91 48.57 7.24 45.80 3 0 7.61 -999 ? MG MG B 503 >ALA~B 32 49.10 2.53 44.44 48.67 1.40 45.35 48.88 1.97 44.90 2 0 9.23 -999 ? MG MG B 503 >SER~B 33 47.69 1.83 40.94 45.85 2.15 39.27 46.77 1.99 40.10 2 0 5.21 -999 ? MG MG B 503 >GLU~B 34 47.36 7.05 39.91 46.64 7.24 37.96 47.00 7.15 38.93 2 0 2.69 -999 ? MG MG B 504s >ILE~B 35 52.63 3.93 42.45 53.42 3.80 43.68 53.02 3.87 43.06 3 0 10.10 -999 ? MG MG B 503 >GLU~B 36 51.33 -0.80 40.14 53.28 -1.67 40.58 52.30 -1.24 40.36 2 0 11.79 -999 ? MG MG B 504 >GLU~B 37 48.91 3.35 35.47 47.22 4.76 35.21 48.07 4.06 35.34 2 0 -2.22 -999 ? MG MG B 504s >VAL~B 38 54.46 5.57 36.58 54.98 7.37 37.82 54.72 6.47 37.20 3 0 7.75 -999 ? MG MG B 504 >ALA~B 39 56.78 2.59 36.95 56.68 1.45 37.94 56.73 2.02 37.44 2 0 11.27 -999 ? MG MG B 504 >GLU~B 40 53.74 0.59 31.93 54.44 -1.30 31.34 54.09 -0.35 31.64 2 0 11.70 -999 ? MG MG B 504 >ALA~B 41 56.01 4.69 31.61 55.26 6.00 31.69 55.64 5.34 31.65 2 0 8.89 -999 ? MG MG B 504 >VAL~B 42 59.57 4.75 33.08 60.53 5.30 34.98 60.05 5.02 34.03 3 0 13.05 -999 ? MG MG B 504 >LYS~B 43 60.23 1.21 31.75 58.35 -2.36 35.71 59.29 -0.58 33.73 2 0 14.54 -999 ? MG MG B 504 >LYS~B 44 59.36 2.33 28.28 56.68 -2.38 28.76 58.02 -0.03 28.52 2 0 14.85 -999 ? MG MG B 504 >ASN.B 45 62.37 5.83 27.70 63.82 4.69 28.78 63.10 5.26 28.24 2 0 18.00 -999 ? MG MG B 504 >ASP~B 46 56.32 6.11 27.41 54.65 6.88 26.26 55.48 6.50 26.84 2 0 11.73 -999 ? MG MG B 504 >LEU~B 47 58.92 11.63 27.41 61.08 11.72 27.67 60.00 11.68 27.54 3 0 15.70 -999 ? MG MG B 504 >ALA~B 48 54.46 11.92 27.30 53.91 11.71 25.90 54.19 11.81 26.60 2 0 12.51 -999 ? MG MG B 504 >ASN~B 49 53.00 7.62 29.04 51.69 6.51 30.32 52.35 7.07 29.68 2 0 6.75 -999 ? MG MG B 504 >LEU~B 50 56.94 9.70 32.25 58.25 9.33 34.01 57.59 9.52 33.13 3 0 10.91 -999 ? MG MG B 504 >GLU~B 51 53.99 15.74 31.69 53.90 17.00 30.09 53.94 16.37 30.89 2 0 13.14 -999 ? MG MG B 504 >GLU~B 52 48.53 10.80 31.91 47.33 9.50 30.67 47.93 10.15 31.29 2 0 5.31 -999 ? MG MG B 504 >GLU~B 53 51.42 7.42 33.86 49.34 7.00 33.90 50.38 7.21 33.88 2 0 -2.58 -999 ? MG MG B 504s >ILE~B 54 54.53 12.69 36.94 55.53 12.41 38.05 55.03 12.55 37.50 3 0 9.84 -999 ? MG MG B 504 >GLY~B 55 50.30 14.27 37.26 50.37 13.45 37.44 50.34 13.86 37.35 1 0 8.14 -999 ? MG MG B 504 >ASP~B 56 47.73 10.01 37.31 46.74 9.98 35.39 47.24 10.00 36.35 2 0 -3.04 -999 ? MG MG B 504s >MET?B 57 50.04 10.50 40.99 54.10 9.51 41.96 52.07 10.00 41.47 2 0 9.88 -999 ? MG MG B 504 >ILE~B 58 50.84 15.27 42.01 51.91 15.45 42.95 51.37 15.36 42.48 3 0 11.45 -999 ? MG MG B 503 >TYR~B 59 44.25 14.08 40.87 41.51 13.83 40.72 42.88 13.96 40.80 3 0 7.12 -999 ? MG MG B 503 >ASP~B 60 45.95 9.64 43.03 44.57 9.02 41.50 45.26 9.33 42.26 2 0 -2.75 -999 ? MG MG B 503s >ALA~B 61 48.12 11.44 46.51 49.67 11.87 46.44 48.89 11.65 46.48 2 0 10.04 -999 ? MG MG B 503 >LEU~B 62 46.43 16.02 46.44 47.86 17.54 46.66 47.15 16.78 46.55 3 0 12.33 -999 ? MG MG B 503 >LEU~B 63 42.24 12.36 46.07 40.89 12.87 44.54 41.57 12.62 45.31 3 0 8.32 -999 ? MG MG B 503 >VAL~B 64 44.18 10.66 49.90 45.44 8.90 50.09 44.81 9.78 49.99 3 0 10.71 -999 ? MG MG B 503 >ALA~B 65 45.16 13.82 51.81 46.13 14.96 51.32 45.65 14.39 51.57 2 0 13.82 -999 ? MG MG A 502 >ALA~B 66 41.69 15.29 51.14 41.09 15.66 49.70 41.39 15.48 50.42 2 0 13.56 -999 ? MG MG B 503 >VAL~B 67 39.83 12.34 52.53 38.70 10.69 51.67 39.26 11.52 52.10 3 0 14.06 -999 ? MG MG B 503 >ALA~B 68 42.27 12.15 55.60 43.80 12.34 55.52 43.04 12.24 55.56 2 0 13.43 -999 ? MG MG A 502 >GLN~B 69 40.44 18.14 55.83 40.06 19.69 54.34 40.25 18.92 55.08 2 0 19.78 -999 ? MG MG B 503 >ARG~B 70 34.90 13.48 52.66 35.02 10.63 51.47 34.96 12.05 52.07 2 0 15.29 -999 ? MG MG B 503 >ASP~B 71 37.22 10.21 56.70 35.78 9.99 55.16 36.50 10.10 55.93 2 0 17.80 -999 ? MG MG B 503 >TYR~B 72 40.51 9.50 59.55 39.47 6.91 58.93 39.99 8.20 59.24 3 0 16.40 -999 ? MG MG A 502 >GLY~B 73 40.12 15.55 60.48 40.65 15.17 60.06 40.39 15.36 60.27 1 0 18.30 -999 ? MG MG A 502 >ILE.B 74 44.50 14.73 58.56 45.44 14.30 59.58 44.97 14.52 59.07 3 0 13.38 -999 ? MG MG A 502 >ASP~B 75 45.09 20.26 59.56 45.44 22.28 58.98 45.26 21.27 59.27 2 0 18.35 -999 ? MG MG A 502 >LEU~B 76 46.78 19.57 53.79 47.86 18.81 52.04 47.32 19.19 52.91 3 0 15.26 -999 ? MG MG A 502 >GLU~B 77 47.88 24.30 55.13 49.05 24.21 53.31 48.47 24.25 54.22 2 0 18.54 -999 ? MG MG A 502 >SER~B 78 49.98 20.70 59.73 48.22 21.39 61.05 49.10 21.05 60.39 2 0 16.46 -999 ? MG MG A 502 >ALA~B 79 50.71 17.42 57.97 49.71 16.57 57.07 50.21 17.00 57.52 2 0 11.13 -999 ? MG MG A 502 >ILE~B 80 52.78 20.28 54.48 53.10 19.57 53.35 52.94 19.92 53.91 3 0 13.20 -999 ? MG MG A 502 >GLN~B 81 54.72 22.49 60.46 53.53 23.45 61.92 54.12 22.97 61.19 2 0 16.81 -999 ? MG MG A 502 >LYS~B 82 55.29 17.77 60.40 51.51 18.59 64.34 53.40 18.18 62.37 2 0 13.99 -999 ? MG MG A 502 >VAL~B 83 57.24 16.58 57.35 56.94 15.70 55.30 57.09 16.14 56.33 3 0 8.66 -999 ? MG MG A 502 >VAL~B 84 59.12 19.80 56.72 58.78 21.68 55.77 58.95 20.74 56.24 3 0 13.35 -999 ? MG MG A 501 >GLU~B 85 58.72 21.09 61.81 57.01 21.13 63.17 57.87 21.11 62.49 2 0 14.86 -999 ? MG MG A 502 >LYS~B 86 61.18 16.04 60.12 58.34 10.67 58.99 59.76 13.36 59.55 2 0 4.18 -999 ? MG MG A 502 >ILE~B 87 62.69 16.88 55.59 62.94 15.80 54.93 62.82 16.34 55.26 3 0 9.46 -999 ? MG MG A 501 >SER~B 88 64.91 19.66 58.30 63.28 21.24 57.55 64.10 20.45 57.93 2 0 14.71 -999 ? MG MG A 501 >HIS~B 89 65.66 16.43 63.59 66.71 15.54 65.18 66.18 15.99 64.38 3 0 14.90 -999 ? MG MG A 502 >ARG~B 90 64.76 11.69 59.79 62.67 9.55 60.60 63.72 10.62 60.19 2 0 7.56 -999 ? MG MG A 502 >LYS~B 91 68.92 16.28 56.69 68.18 11.85 54.06 68.55 14.07 55.38 2 0 9.69 -999 ? MG MG A 501 >PRO~B 92 71.64 17.99 59.65 70.19 18.77 58.04 70.92 18.38 58.85 3 0 16.67 -999 ? MG MG A 501 >TRP~B 93 72.32 17.12 52.89 71.67 14.16 55.53 72.00 15.64 54.21 3 0 14.85 -999 ? MG MG A 501 >LEU~B 94 68.57 20.44 53.05 67.81 18.55 52.21 68.19 19.49 52.63 3 0 14.62 -999 ? MG MG A 501 >PHE~B 95 68.10 24.22 55.70 65.52 23.39 55.13 66.81 23.80 55.41 3 0 17.79 -999 ? MG MG A 501 >TRP~B 96 73.84 23.38 57.62 75.47 20.01 58.69 74.65 21.70 58.16 3 0 21.24 -999 ? MG MG A 501 >GLU.B 97 77.32 27.95 50.87 78.35 29.76 50.97 77.83 28.86 50.92 2 0 29.06 -999 ? MG MG A 501 >GLU.B 98 80.87 25.08 52.34 81.23 26.21 50.53 81.05 25.64 51.43 2 0 28.64 -999 ? MG MG A 501 >LYS.B 99 78.06 20.19 50.08 78.72 21.77 43.91 78.39 20.98 47.00 2 0 25.49 -999 ? MG MG A 501 >ILE.B 100 78.18 17.04 53.52 77.23 17.21 54.64 77.71 17.12 54.08 3 0 20.53 -999 ? MG MG A 501 >SER~B 101 79.58 13.52 51.19 80.98 12.66 52.81 80.28 13.09 52.00 2 0 22.08 -999 ? MG MG A 501 >LEU~B 102 77.24 9.44 50.14 75.33 8.27 49.89 76.28 8.86 50.01 3 0 17.13 -999 ? MG MG A 501 >GLU~B 103 81.21 7.93 55.10 83.29 8.21 55.67 82.25 8.07 55.38 2 0 23.99 -999 ? MG MG A 501 >GLU~B 104 81.19 13.70 55.56 82.06 15.49 54.74 81.63 14.60 55.15 2 0 23.95 -999 ? MG MG A 501 >ALA~B 105 75.21 12.77 55.29 74.61 12.84 53.92 74.91 12.80 54.61 2 0 16.01 -999 ? MG MG A 501 >GLU~B 106 75.52 8.12 54.44 75.71 6.26 53.41 75.61 7.19 53.93 2 0 16.34 -999 ? MG MG A 501 >LYS~B 107 76.43 9.39 59.60 82.65 8.06 59.67 79.54 8.72 59.63 2 0 24.14 -999 ? MG MG A 501 >ILE~B 108 74.28 13.76 59.67 74.38 15.31 59.67 74.33 14.53 59.67 3 0 17.65 -999 ? MG MG A 501 >TRP~B 109 68.51 11.23 57.38 67.23 7.49 57.69 67.87 9.36 57.54 3 0 9.69 -999 ? MG MG A 501 >LYS~B 110 71.67 7.88 61.40 73.73 3.99 64.11 72.70 5.94 62.75 2 0 18.48 -999 ? MG MG A 501 >GLU~B 111 74.57 9.98 64.91 74.64 8.17 66.02 74.60 9.08 65.47 2 0 20.00 -999 ? MG MG A 501 >ARG~B 112 70.14 15.37 63.50 71.02 18.19 63.00 70.58 16.78 63.25 2 0 18.49 -999 ? MG MG A 501 >LYS~B 113 66.85 9.35 63.33 64.56 5.61 61.25 65.71 7.48 62.29 2 0 9.47 -999 ? MG MG A 502 >LYS~B 114 67.26 8.47 66.96 73.32 6.41 67.83 70.29 7.44 67.40 2 0 20.18 -999 ? MG MG A 502