REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-OCT-08 3ES1 COMPND CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444; SOURCE 3 ORGANISM_TAXID: 279238; SOURCE 4 GENE: YP_001165807.1, SARO_3421,; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 38 8 HET MSE A 85 16 HET MSE A 93 16 HET CL A 172 1 SITE 1 AC1 2 LYS A 29 SER A 30 >GLU.A 3 45.81 34.37 30.64 44.77 32.92 31.90 45.29 33.65 31.27 2 0 17.27 -999 ? CL CL A 172 >ALA.A 4 46.41 37.76 27.28 47.45 38.81 26.86 46.93 38.29 27.07 2 0 20.88 -999 ? CL CL A 172 >LEU.A 5 43.70 38.09 23.33 41.82 37.72 22.47 42.76 37.91 22.90 3 0 24.31 -999 ? CL CL A 172 >SER.A 6 47.06 35.81 21.30 46.96 33.36 21.40 47.01 34.58 21.35 2 0 19.69 -999 ? CL CL A 172 >ASP.A 7 49.98 38.44 18.42 51.13 39.25 20.05 50.55 38.84 19.24 2 0 22.73 -999 ? CL CL A 172 >SER.A 8 46.29 36.42 16.20 46.06 34.26 17.17 46.18 35.34 16.68 2 0 23.36 -999 ? CL CL A 172 >GLY.A 9 43.21 37.32 18.25 43.55 36.60 18.28 43.38 36.96 18.26 1 0 25.96 -999 ? CL CL A 172 >LEU.A 10 43.28 32.54 18.45 42.41 31.80 16.62 42.85 32.17 17.53 3 0 23.96 -999 ? CL CL A 172 >PRO.A 11 40.60 31.46 22.38 42.58 32.52 22.21 41.59 31.99 22.29 3 0 22.03 -999 ? CL CL A 172 >PRO.A 12 45.01 32.86 26.65 45.32 31.97 24.57 45.16 32.41 25.61 3 0 18.17 -999 ? CL CL A 172 >VAL^A 13 47.02 28.08 25.12 47.94 27.06 23.39 47.48 27.57 24.25 3 0 14.80 -999 ? CL CL A 172 >GLN^A 14 45.72 24.64 30.25 43.95 23.65 30.85 44.83 24.14 30.55 2 0 14.31 -999 ? CL CL A 172 >ARG^A 15 53.69 23.68 27.99 56.29 24.46 29.40 54.99 24.07 28.70 2 0 4.73 -999 ? CL CL A 172 >VAL^A 16 49.80 20.95 31.44 47.97 20.29 32.53 48.89 20.62 31.98 3 0 9.23 -999 ? CL CL A 172 >VAL^A 17 53.01 19.01 32.09 54.93 19.77 31.35 53.97 19.39 31.72 3 0 4.87 -999 ? CL CL A 172 >THR^A 18 53.28 15.81 34.11 52.14 14.25 33.05 52.71 15.03 33.58 2 0 9.58 -999 ? CL CL A 172 >GLY^A 19 56.22 14.26 35.92 55.50 14.05 36.32 55.86 14.15 36.12 1 0 8.33 -999 ? CL CL A 172 >HIS^A 20 57.49 9.89 37.60 56.57 8.69 36.15 57.03 9.29 36.87 3 0 13.18 -999 ? CL CL A 172 >ASP.A 21 57.08 13.66 43.38 56.13 12.06 44.36 56.60 12.86 43.87 2 0 15.13 -999 ? CL CL A 172 >ALA.A 22 60.88 12.01 44.70 61.49 12.83 45.85 61.18 12.42 45.28 2 0 16.11 -999 ? CL CL A 172 >HIS.A 23 57.76 10.30 47.82 58.45 11.32 49.51 58.10 10.81 48.67 3 0 19.19 -999 ? CL CL A 172 >GLY.A 24 58.17 7.94 42.21 57.58 8.36 42.62 57.87 8.15 42.42 1 0 16.70 -999 ? CL CL A 172 >ARG.A 25 53.81 7.35 44.25 51.62 5.34 43.55 52.72 6.34 43.90 2 0 20.61 -999 ? CL CL A 172 >ALA^A 26 52.90 10.74 39.01 52.10 9.96 37.95 52.50 10.35 38.48 2 0 14.16 -999 ? CL CL A 172 >VAL^A 27 52.19 14.38 39.72 53.90 14.64 41.11 53.05 14.51 40.42 3 0 11.56 -999 ? CL CL A 172 >PHE^A 28 49.04 17.82 37.60 46.79 16.36 36.78 47.92 17.09 37.19 3 0 11.90 -999 ? CL CL A 172 >LYS^A 29 54.88 19.38 37.09 60.60 19.09 35.56 57.74 19.24 36.32 2 0 -4.60 -999 ? CL CL A 172s >SER^A 30 53.61 22.67 35.69 54.86 22.80 33.62 54.24 22.74 34.65 2 0 -3.33 -999 ? CL CL A 172s >GLU^A 31 48.04 24.59 34.24 46.27 24.13 35.33 47.15 24.36 34.78 2 0 12.16 -999 ? CL CL A 172 >ASP^A 32 51.83 28.16 31.83 52.53 27.10 30.13 52.18 27.63 30.98 2 0 8.08 -999 ? CL CL A 172 >VAL^A 33 48.17 29.66 29.97 45.96 29.83 30.23 47.07 29.74 30.10 3 0 13.77 -999 ? CL CL A 172 >THR^A 34 50.24 31.50 27.35 52.36 31.10 27.63 51.30 31.30 27.49 2 0 12.07 -999 ? CL CL A 172 >PRO.A 35 50.44 35.36 25.25 49.67 33.29 24.82 50.05 34.33 25.04 3 0 16.78 -999 ? CL CL A 172 >THR.A 36 50.85 32.81 20.70 49.48 31.77 19.29 50.16 32.29 20.00 2 0 18.92 -999 ? CL CL A 172 >ARG^A 37 52.63 36.96 22.45 53.96 39.36 23.70 53.29 38.16 23.08 2 0 20.22 -999 ? CL CL A 172 >MET?A 38 53.72 37.53 16.40 51.50 38.53 13.93 52.61 38.03 15.17 2 0 26.13 -999 ? CL CL A 172 >ILE^A 39 57.01 35.43 13.44 56.49 34.18 12.78 56.75 34.81 13.11 3 0 23.75 -999 ? CL CL A 172 >PRO^A 40 60.63 38.72 13.75 58.53 38.92 12.99 59.58 38.82 13.37 3 0 25.98 -999 ? CL CL A 172 >SER^A 41 57.15 39.00 9.19 56.32 36.72 9.02 56.73 37.86 9.10 2 0 28.25 -999 ? CL CL A 172 >GLY^A 42 53.64 39.47 10.59 53.88 38.84 10.16 53.76 39.16 10.38 1 0 28.82 -999 ? CL CL A 172 >ASP^A 43 53.25 35.62 7.71 53.94 36.92 6.17 53.60 36.27 6.94 2 0 31.01 -999 ? CL CL A 172 >ALA^A 44 51.91 34.12 11.80 52.56 32.72 11.48 52.24 33.42 11.64 2 0 24.69 -999 ? CL CL A 172 >SER^A 45 51.65 34.18 15.60 50.52 35.20 17.49 51.09 34.69 16.54 2 0 21.77 -999 ? CL CL A 172 >PHE^A 46 55.80 30.94 17.04 58.30 31.36 18.15 57.05 31.15 17.59 3 0 18.00 -999 ? CL CL A 172 >LEU^A 47 52.74 29.26 21.54 52.65 29.23 23.76 52.70 29.24 22.65 3 0 13.75 -999 ? CL CL A 172 >LEU^A 48 58.05 26.89 21.55 59.54 25.37 21.40 58.79 26.13 21.47 3 0 12.30 -999 ? CL CL A 172 >VAL^A 49 55.02 24.08 23.67 52.92 23.52 23.60 53.97 23.80 23.63 3 0 10.35 -999 ? CL CL A 172 >TRP^A 50 58.42 18.17 25.51 58.50 19.64 29.12 58.46 18.91 27.32 3 0 6.39 -999 ? CL CL A 172 >THR^A 51 60.78 19.75 22.74 61.99 21.51 22.61 61.39 20.63 22.67 2 0 11.12 -999 ? CL CL A 172 >THR^A 52 62.79 16.59 23.36 61.37 15.00 22.94 62.08 15.80 23.15 2 0 12.61 -999 ? CL CL A 172 >ALA^A 53 66.55 16.63 22.72 67.68 16.71 23.79 67.11 16.67 23.25 2 0 14.31 -999 ? CL CL A 172 >THR^A 54 66.32 13.13 21.24 67.63 12.20 22.71 66.98 12.66 21.98 2 0 17.07 -999 ? CL CL A 172 >VAL^A 55 63.92 10.60 19.87 62.75 11.59 18.22 63.34 11.10 19.04 3 0 18.39 -999 ? CL CL A 172 >PRO^A 56 64.15 5.98 21.16 63.90 8.23 21.06 64.03 7.11 21.11 3 0 19.86 -999 ? CL CL A 172 >ALA^A 57 62.76 10.80 24.32 61.41 11.45 24.48 62.08 11.13 24.40 2 0 13.85 -999 ? CL CL A 172 >ASP^A 58 65.22 11.45 28.13 66.22 10.88 29.91 65.72 11.16 29.02 2 0 14.06 -999 ? CL CL A 172 >ASN^A 59 60.06 10.12 30.92 58.74 10.43 29.33 59.40 10.28 30.13 2 0 12.00 -999 ? CL CL A 172 >ASN^A 60 65.28 10.27 33.57 64.39 8.82 34.84 64.83 9.55 34.20 2 0 14.64 -999 ? CL CL A 172 >ASP^A 61 65.33 14.84 30.04 65.93 16.80 29.50 65.63 15.82 29.77 2 0 10.04 -999 ? CL CL A 172 >GLU^A 62 63.62 15.93 35.98 61.60 15.15 35.78 62.61 15.54 35.88 2 0 8.12 -999 ? CL CL A 172 >THR^A 63 64.22 20.19 31.40 65.85 20.57 30.03 65.04 20.38 30.71 2 0 8.50 -999 ? CL CL A 172 >ASP^A 64 60.94 23.80 30.91 59.14 24.51 30.07 60.04 24.15 30.49 2 0 4.10 -999 ? CL CL A 172 >GLY^A 65 61.04 21.66 26.68 60.88 22.39 27.01 60.96 22.02 26.84 1 0 7.00 -999 ? CL CL A 172 >ARG^A 66 57.29 27.77 26.98 54.23 27.32 27.12 55.76 27.54 27.05 2 0 8.85 -999 ? CL CL A 172 >GLN^A 67 62.12 27.61 29.30 61.93 29.54 28.38 62.02 28.58 28.84 2 0 9.79 -999 ? CL CL A 172 >ARG^A 68 65.75 20.29 24.40 64.69 18.62 26.71 65.22 19.46 25.56 2 0 9.72 -999 ? CL CL A 172 >ALA^A 70 69.55 24.52 20.83 69.93 25.66 19.85 69.74 25.09 20.34 2 0 18.16 -999 ? CL CL A 172 >GLY^A 71 70.97 21.11 19.84 70.98 21.74 19.32 70.98 21.42 19.58 1 0 18.49 -999 ? CL CL A 172 >LEU^A 72 74.24 18.84 17.09 75.86 19.30 18.51 75.05 19.07 17.80 3 0 23.00 -999 ? CL CL A 172 >THR^A 73 71.00 17.96 14.55 70.33 15.89 14.33 70.67 16.92 14.44 2 0 23.14 -999 ? CL CL A 172 >LEU^A 74 69.03 20.91 11.29 68.55 22.91 10.83 68.79 21.91 11.06 3 0 24.43 -999 ? CL CL A 172 >ASP^A 75 64.57 18.95 12.14 63.85 20.78 11.30 64.21 19.87 11.72 2 0 22.48 -999 ? CL CL A 172 >GLY^A 76 66.74 16.58 15.88 66.07 17.09 15.96 66.41 16.84 15.92 1 0 19.91 -999 ? CL CL A 172 >GLY^A 77 64.45 15.09 18.52 64.24 15.33 17.78 64.35 15.21 18.15 1 0 17.21 -999 ? CL CL A 172 >SER^A 78 60.86 16.32 18.67 59.58 15.41 20.60 60.22 15.86 19.63 2 0 14.03 -999 ? CL CL A 172 >VAL^A 79 59.03 19.62 18.72 60.02 21.41 17.84 59.53 20.51 18.28 3 0 14.83 -999 ? CL CL A 172 >ILE^A 80 54.44 19.76 20.36 53.37 19.54 21.29 53.90 19.65 20.82 3 0 13.00 -999 ? CL CL A 172 >ARG^A 81 56.60 25.63 15.85 58.60 24.37 13.91 57.60 25.00 14.88 2 0 19.24 -999 ? CL CL A 172 >VAL^A 82 51.21 26.04 17.91 49.43 26.14 19.22 50.32 26.09 18.56 3 0 16.86 -999 ? CL CL A 172 >VAL^A 83 51.14 28.23 14.74 52.77 28.11 13.22 51.95 28.17 13.98 3 0 20.90 -999 ? CL CL A 172 >ASP^A 84 47.88 31.75 15.01 47.30 30.86 16.87 47.59 31.30 15.94 2 0 21.32 -999 ? CL CL A 172 >MET?A 85 48.49 31.63 10.32 50.92 31.95 7.77 49.70 31.79 9.05 2 0 28.05 -999 ? CL CL A 172 >LEU^A 86 47.68 36.34 10.10 48.52 36.78 12.14 48.10 36.56 11.12 3 0 28.13 -999 ? CL CL A 172 >PRO^A 87 43.10 37.00 8.83 44.64 35.79 7.77 43.87 36.39 8.30 3 0 31.93 -999 ? CL CL A 172 >GLY^A 88 45.65 36.38 3.65 46.07 36.04 4.23 45.86 36.21 3.94 1 0 34.97 -999 ? CL CL A 172 >LYS^A 89 49.12 35.26 4.73 50.02 40.54 5.88 49.57 37.90 5.31 2 0 33.86 -999 ? CL CL A 172 >GLU^A 90 52.23 33.13 1.52 52.06 32.79 -0.53 52.15 32.96 0.50 2 0 35.73 -999 ? CL CL A 172 >SER^A 91 54.53 30.76 5.15 54.19 28.34 5.19 54.36 29.55 5.17 2 0 28.78 -999 ? CL CL A 172 >PRO^A 92 58.80 31.54 5.21 57.35 30.59 3.80 58.08 31.07 4.51 3 0 29.92 -999 ? CL CL A 172 >MET?A 93 58.19 27.28 1.30 57.32 25.99 -2.52 57.76 26.64 -0.61 2 0 35.73 -999 ? CL CL A 172 >HIS^A 94 61.63 26.77 4.34 62.59 28.64 4.29 62.11 27.70 4.32 3 0 29.53 -999 ? CL CL A 172 >ARG^A 95 63.13 18.42 1.41 63.69 19.65 -1.35 63.41 19.04 0.03 2 0 34.86 -999 ? CL CL A 172 >THR^A 96 62.67 19.71 6.77 61.23 20.65 8.22 61.95 20.18 7.49 2 0 25.00 -999 ? CL CL A 172 >ASN^A 97 65.77 16.30 8.05 66.84 16.67 6.27 66.31 16.49 7.16 2 0 28.60 -999 ? CL CL A 172 >SER^A 98 61.27 15.30 9.85 60.32 17.57 9.89 60.80 16.43 9.87 2 0 23.59 -999 ? CL CL A 172 >ILE^A 99 57.49 12.23 9.86 56.68 11.02 10.26 57.08 11.62 10.06 3 0 25.11 -999 ? CL CL A 172 >ASP^A 100 55.35 17.61 10.63 57.14 18.12 9.82 56.25 17.86 10.22 2 0 23.46 -999 ? CL CL A 172 >TYR^A 101 52.03 13.35 13.45 53.23 10.78 13.31 52.63 12.07 13.38 3 0 22.54 -999 ? CL CL A 172 >GLY^A 102 49.66 18.77 11.93 49.25 18.03 11.96 49.45 18.40 11.94 1 0 22.84 -999 ? CL CL A 172 >ILE^A 103 45.97 18.50 14.90 46.29 17.71 15.36 46.13 18.11 15.13 3 0 21.74 -999 ? CL CL A 172 >VAL^A 104 43.92 21.99 12.45 43.48 22.68 10.38 43.70 22.33 11.41 3 0 25.86 -999 ? CL CL A 172 >LEU^A 105 43.28 23.85 16.88 44.72 22.55 17.96 44.00 23.20 17.42 3 0 20.96 -999 ? CL CL A 172 >GLU^A 106 40.14 28.76 15.02 38.01 28.86 15.07 39.08 28.81 15.05 2 0 27.72 -999 ? CL CL A 172 >GLY^A 107 39.80 27.59 10.89 39.95 26.79 11.07 39.87 27.19 10.98 1 0 29.17 -999 ? CL CL A 172 >GLU^A 108 39.33 26.68 5.97 37.69 25.84 4.90 38.51 26.26 5.44 2 0 34.86 -999 ? CL CL A 172 >ILE^A 109 45.46 25.62 6.73 46.20 26.03 6.71 45.83 25.83 6.72 3 0 29.20 -999 ? CL CL A 172 >GLU^A 110 46.04 26.29 -0.21 45.30 27.59 -1.62 45.67 26.94 -0.92 2 0 37.29 -999 ? CL CL A 172 >LEU^A 111 48.59 21.85 2.62 50.32 20.63 3.12 49.46 21.24 2.87 3 0 31.29 -999 ? CL CL A 172 >GLU^A 112 51.49 25.18 -3.04 51.61 27.08 -3.96 51.55 26.13 -3.50 2 0 37.84 -999 ? CL CL A 172 >LEU^A 113 53.08 19.83 -2.20 52.46 18.68 -0.41 52.77 19.26 -1.30 3 0 34.76 -999 ? CL CL A 172 >ASP^A 114 56.63 20.10 -5.72 58.50 20.20 -4.60 57.56 20.15 -5.16 2 0 37.61 -999 ? CL CL A 172 >ASP^A 115 54.81 21.33 -9.56 56.85 20.80 -9.59 55.83 21.06 -9.57 2 0 42.59 -999 ? CL CL A 172 >GLY^A 116 51.47 24.37 -7.53 51.60 23.60 -7.29 51.53 23.99 -7.41 1 0 41.10 -999 ? CL CL A 172 >ALA^A 117 49.81 21.26 -6.03 50.40 19.85 -5.88 50.11 20.56 -5.95 2 0 39.63 -999 ? CL CL A 172 >LYS^A 118 47.53 22.27 -3.21 45.55 26.39 -5.65 46.54 24.33 -4.43 2 0 40.82 -999 ? CL CL A 172 >ARG^A 119 44.16 17.67 -1.66 44.56 15.09 -3.20 44.36 16.38 -2.43 2 0 39.17 -999 ? CL CL A 172 >THR^A 120 42.51 22.57 1.84 41.04 24.13 1.95 41.77 23.35 1.90 2 0 35.42 -999 ? CL CL A 172 >VAL^A 121 42.68 20.98 5.27 44.33 19.82 6.07 43.50 20.40 5.67 3 0 30.94 -999 ? CL CL A 172 >ARG^A 122 36.48 20.67 4.96 37.31 18.00 3.70 36.89 19.33 4.33 2 0 36.04 -999 ? CL CL A 172 >GLN^A 123 38.22 23.40 12.98 36.90 24.85 13.83 37.56 24.13 13.40 2 0 28.63 -999 ? CL CL A 172 >GLY^A 124 39.74 19.07 12.78 40.13 19.26 12.12 39.93 19.16 12.45 1 0 27.35 -999 ? CL CL A 172 >GLY^A 125 41.81 17.75 9.91 42.13 18.05 10.59 41.97 17.90 10.25 1 0 28.46 -999 ? CL CL A 172 >ILE^A 126 45.29 14.82 11.13 45.54 14.12 12.38 45.41 14.47 11.75 3 0 25.74 -999 ? CL CL A 172 >ILE^A 127 48.86 17.70 7.53 48.62 18.55 7.36 48.74 18.13 7.44 3 0 27.40 -999 ? CL CL A 172 >VAL^A 128 51.01 13.72 7.84 50.75 11.59 8.36 50.88 12.65 8.10 3 0 27.45 -999 ? CL CL A 172 >GLN^A 129 55.07 17.94 5.85 53.91 19.19 4.60 54.49 18.56 5.22 2 0 28.79 -999 ? CL CL A 172 >ARG^A 130 54.25 9.95 4.68 55.97 8.72 2.46 55.11 9.33 3.57 2 0 33.28 -999 ? CL CL A 172 >GLY^A 131 59.58 15.38 4.69 58.90 15.43 4.20 59.24 15.40 4.45 1 0 29.05 -999 ? CL CL A 172 >THR^A 132 58.03 17.26 1.82 56.18 16.14 1.60 57.11 16.70 1.71 2 0 31.93 -999 ? CL CL A 172 >ASN^A 133 59.28 21.00 -0.94 59.80 23.02 -1.22 59.54 22.01 -1.08 2 0 34.26 -999 ? CL CL A 172 >HIS^A 134 55.30 22.06 3.78 56.31 22.19 5.61 55.80 22.12 4.70 3 0 28.36 -999 ? CL CL A 172 >LEU^A 135 54.19 27.34 1.57 52.94 28.35 0.04 53.57 27.85 0.80 3 0 33.02 -999 ? CL CL A 172 >TRP^A 136 52.67 25.31 6.93 50.38 22.16 6.75 51.53 23.74 6.84 3 0 26.98 -999 ? CL CL A 172 >ARG^A 137 47.77 31.07 -0.45 49.95 29.60 -2.00 48.86 30.33 -1.23 2 0 36.71 -999 ? CL CL A 172 >ASN^A 138 45.48 31.80 6.19 43.62 32.01 7.19 44.55 31.90 6.69 2 0 31.21 -999 ? CL CL A 172 >THR^A 139 43.10 32.17 2.04 43.15 30.46 0.77 43.12 31.32 1.41 2 0 36.48 -999 ? CL CL A 172 >THR^A 140 40.28 32.88 4.53 40.19 31.22 6.01 40.24 32.05 5.27 2 0 33.63 -999 ? CL CL A 172 >ASP^A 141 37.95 36.73 6.18 37.97 37.29 4.11 37.96 37.01 5.15 2 0 38.36 -999 ? CL CL A 172 >PRO^A 143 42.25 34.19 13.65 42.42 33.49 11.47 42.33 33.84 12.56 3 0 28.38 -999 ? CL CL A 172 >CYH^A 144 43.81 29.40 11.42 44.16 27.01 10.04 43.98 28.21 10.73 2 0 27.27 -999 ? CL CL A 172 >ARG^A 145 45.43 27.48 18.26 45.43 29.93 20.15 45.43 28.70 19.21 2 0 19.68 -999 ? CL CL A 172 >ILE^A 146 48.08 24.29 12.34 48.10 23.87 10.95 48.09 24.08 11.64 3 0 23.61 -999 ? CL CL A 172 >ALA^A 147 49.25 22.27 16.29 48.54 21.41 17.39 48.90 21.84 16.84 2 0 18.22 -999 ? CL CL A 172 >PHE^A 148 52.62 22.33 12.74 51.39 23.44 10.48 52.00 22.89 11.61 3 0 22.20 -999 ? CL CL A 172 >ILE^A 149 53.79 16.70 16.71 53.11 16.67 17.34 53.45 16.69 17.03 3 0 17.36 -999 ? CL CL A 172 >LEU^A 150 58.54 18.77 13.80 57.79 20.79 13.17 58.16 19.78 13.49 3 0 19.59 -999 ? CL CL A 172 >ILE^A 151 58.91 12.98 14.84 58.25 11.95 15.54 58.58 12.46 15.19 3 0 20.11 -999 ? CL CL A 172 >GLU^A 152 65.79 13.18 13.88 67.29 12.66 15.28 66.54 12.92 14.58 2 0 22.00 -999 ? CL CL A 172 >ALA^A 153 63.90 11.76 10.27 62.65 11.43 9.41 63.27 11.59 9.84 2 0 26.18 -999 ? CL CL A 172 >PRO^A 154 66.92 9.17 8.51 66.31 11.33 8.39 66.61 10.25 8.45 3 0 28.46 -999 ? CL CL A 172 >ALA^A 155 66.88 13.41 4.68 68.16 14.00 4.01 67.52 13.70 4.35 2 0 31.68 -999 ? CL CL A 172 >TYR^A 156 62.73 11.89 0.43 61.63 10.28 -1.56 62.18 11.09 -0.57 3 0 35.47 -999 ? CL CL A 172 >LEU^A 157 67.16 8.59 -0.01 69.04 8.51 1.11 68.10 8.55 0.55 3 0 36.47 -999 ? CL CL A 172 >HIS^A 158 64.71 11.49 -6.13 63.90 11.25 -8.05 64.31 11.37 -7.09 3 0 41.89 -999 ? CL CL A 172 >ASN^A 159 67.71 8.25 -7.64 66.08 8.30 -9.03 66.89 8.27 -8.33 2 0 44.87 -999 ? CL CL A 172 >GLY^A 160 69.50 7.09 -3.19 69.36 7.82 -3.48 69.43 7.45 -3.33 1 0 40.72 -999 ? CL CL A 172 >GLN^A 161 72.22 10.49 -4.86 73.83 9.88 -3.62 73.02 10.18 -4.24 2 0 41.64 -999 ? CL CL A 172 >PRO^A 162 71.37 13.70 0.09 69.71 13.26 -1.33 70.54 13.48 -0.62 3 0 36.82 -999 ? CL CL A 172 >LEU^A 163 65.66 16.57 -2.75 63.85 15.50 -3.03 64.75 16.03 -2.89 3 0 36.95 -999 ? CL CL A 172 >PRO^A 164 67.97 18.63 -6.45 68.08 18.99 -4.24 68.03 18.81 -5.34 3 0 39.72 -999 ? CL CL A 172