REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 08-FEB-07 2OTM COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 211586; SOURCE 4 STRAIN: MR-1; SOURCE 5 GENE: NP_717567.1, SO_1960; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 2 8 HET MSE A 37 8 HET MSE A 132 8 HET MSE A 139 8 HET MSE B 1 8 HET MSE B 2 8 HET MSE B 37 8 HET MSE B 132 8 HET MSE B 139 8 HET MSE C 37 8 HET MSE C 132 8 HET MSE C 139 8 HET CA A 154 1 HET NA A 155 1 HET NA C 154 1 HET NA B 154 1 HET ACT C 155 4 HET ACT A 156 4 HET ACT B 155 4 HET ACT B 156 4 HET ACT C 156 4 HET ACT A 157 4 HET GOL B 157 6 SITE 1 AC1 7 HOH A 186 HOH A 191 HOH B 191 HOH B 192 SITE 1 AC2 7 ASP A 58 HOH A 168 HOH A 181 HOH A 195 SITE 1 AC3 5 ASP C 58 GLU C 63 HOH C 170 HOH C 184 SITE 1 AC4 6 GLU A 63 NA A 155 HOH A 168 HOH A 181 SITE 1 AC5 5 TYR B 26 PRO C 109 ARG C 131 ILE C 133 SITE 1 AC6 5 PRO A 109 ARG A 131 ILE A 133 HOH A 170 SITE 1 AC7 4 TYR A 26 PRO B 109 ARG B 131 HOH B 159 SITE 1 AC8 4 GLY B 24 ASN B 25 HOH B 278 ASP C 113 SITE 1 AC9 3 GLN A 52 LEU A 141 ILE B 106 SITE 1 BC1 5 GLU B 6 LEU B 14 GLU B 15 LEU B 16 >MET?A 2 11.33 10.75 0.93 13.03 11.12 -1.89 12.18 10.94 -0.48 2 0 32.53 -999 ? OXT ACT A 156 >ASN.A 3 13.66 9.42 4.95 12.41 7.73 5.24 13.04 8.57 5.09 2 0 28.92 -999 ? OXT ACT A 156 >THR~A 4 13.89 14.12 5.21 12.22 14.98 4.17 13.05 14.55 4.69 2 0 28.32 -999 ? OXT ACT A 156 >PRO~A 5 16.68 16.91 7.13 14.85 15.78 7.66 15.76 16.34 7.39 3 0 23.48 -999 ? OXT ACT A 156 >GLU~A 6 11.10 19.69 7.34 12.78 19.94 6.05 11.94 19.82 6.69 2 0 25.76 -999 ? CA CA A 154 >SER~A 7 9.81 13.96 8.24 10.96 12.31 6.80 10.38 13.14 7.52 2 0 28.02 -999 ? OXT ACT A 156 >ARG~A 8 15.67 11.31 9.75 17.08 11.67 7.02 16.37 11.49 8.38 2 0 23.34 -999 ? OXT ACT A 156 >LEU~A 9 11.23 16.91 12.97 12.91 18.25 13.30 12.07 17.58 13.13 3 0 23.54 -999 ? OXT ACT A 156 >VAL~A 10 7.59 14.44 12.70 6.02 14.68 11.23 6.81 14.56 11.96 3 0 28.94 -999 ? OXT ACT A 156 >ALA~A 11 8.44 10.79 13.23 9.37 9.93 12.34 8.91 10.36 12.79 2 0 27.24 -999 ? OXT ACT A 156 >ALA~A 12 10.25 11.67 16.50 11.60 12.34 16.58 10.92 12.00 16.54 2 0 23.20 -999 ? O ACT A 156 >GLY.A 13 7.22 13.65 17.69 7.95 13.95 17.50 7.59 13.80 17.60 1 0 25.35 -999 ? NA NA A 155 >LEU.A 14 10.74 16.81 17.45 12.23 15.94 18.82 11.49 16.37 18.14 3 0 22.57 -999 ? OXT ACT A 156 >LEU.A 16 10.67 23.36 14.43 12.32 22.40 13.37 11.50 22.88 13.90 3 0 20.06 -999 ? CH3 ACT B 155 >PRO.A 17 12.12 25.28 19.06 10.20 25.29 17.92 11.16 25.29 18.49 3 0 17.00 -999 ? CH3 ACT B 155 >VAL.A 19 12.99 31.07 16.77 14.23 31.11 14.96 13.61 31.09 15.86 3 0 13.69 -999 ? CH3 ACT B 155 >ALA.A 20 14.14 33.16 19.76 14.92 32.65 20.93 14.53 32.91 20.35 2 0 9.87 -999 ? CH3 ACT B 155 >ALA.A 21 15.32 36.78 19.42 14.54 37.98 19.96 14.93 37.38 19.69 2 0 10.70 -999 ? CH3 ACT B 155 >ALA.A 22 19.00 37.76 19.80 19.75 38.70 18.83 19.37 38.23 19.31 2 0 7.34 -999 ? C ACT B 155 >LEU.A 23 20.87 37.85 24.32 19.81 36.36 25.49 20.34 37.11 24.90 3 0 4.43 -999 ? CH3 ACT B 155 >GLY.A 24 22.13 41.70 21.91 21.65 41.32 21.27 21.89 41.51 21.59 1 0 5.65 -999 ? OXT ACT B 155 >ASN.A 25 23.49 45.05 18.85 22.78 46.47 17.44 23.13 45.76 18.15 2 0 11.58 -999 ? OXT ACT B 155 >TYR.A 26 24.13 38.87 18.50 22.86 37.30 20.46 23.49 38.09 19.48 3 0 -4.14 -999 ? O ACT B 155s >GLU.A 27 23.00 39.65 11.91 21.09 40.47 11.57 22.05 40.06 11.74 2 0 12.55 -999 ? O ACT B 155 >PRO.A 28 18.98 35.65 13.55 20.95 35.59 14.60 19.96 35.62 14.07 3 0 10.17 -999 ? O ACT B 155 >TYR^A 29 21.31 32.76 10.26 19.47 33.56 8.37 20.39 33.16 9.31 3 0 14.50 -999 ? O ACT B 155 >SER^A 30 25.45 34.61 9.41 27.55 35.02 10.61 26.50 34.81 10.01 2 0 10.86 -999 ? CA CA A 154 >ILE^A 31 25.70 33.15 5.08 24.72 32.36 4.27 25.21 32.75 4.68 3 0 14.90 -999 ? CA CA A 154 >VAL^A 32 30.19 33.34 4.53 32.23 33.35 5.46 31.21 33.35 5.00 3 0 11.63 -999 ? CA CA A 154 >GLY.A 33 30.41 31.46 1.26 29.83 31.48 1.86 30.12 31.47 1.56 1 0 14.70 -999 ? CA CA A 154 >SER.A 34 28.71 28.13 1.72 30.50 26.55 1.49 29.60 27.34 1.60 2 0 14.38 -999 ? CA CA A 154 >GLN^A 35 31.39 27.43 5.63 33.39 28.03 5.86 32.39 27.73 5.75 2 0 9.22 -999 ? CA CA A 154 >LEU^A 36 24.66 28.68 7.44 22.84 29.18 8.58 23.75 28.93 8.01 3 0 13.45 -999 ? CA CA A 154 >MET?A 37 26.70 29.64 11.45 30.37 31.91 11.31 28.54 30.77 11.38 2 0 6.86 -999 ? CA CA A 154 >THR^A 38 24.24 30.33 14.23 23.32 28.46 14.80 23.78 29.39 14.51 2 0 11.14 -999 ? CH3 ACT B 155 >SER.A 39 24.63 32.49 17.24 24.67 34.84 16.55 24.65 33.67 16.90 2 0 6.15 -999 ? O ACT B 155 >GLY.A 40 23.95 30.89 20.61 23.36 31.19 20.13 23.66 31.04 20.37 1 0 5.20 -999 ? CH3 ACT B 155 >GLN.A 41 20.86 28.23 18.40 19.60 29.75 17.70 20.23 28.99 18.05 2 0 9.20 -999 ? CH3 ACT B 155 >PHE.A 42 19.52 30.34 25.12 21.23 32.48 25.50 20.38 31.41 25.31 3 0 5.37 -999 ? CH3 ACT B 155 >PRO.A 43 18.32 25.32 27.49 17.39 25.80 25.49 17.86 25.56 26.49 3 0 10.65 -999 ? OXT ACT A 157 >TYR^A 44 14.15 29.62 24.53 15.44 31.96 25.19 14.80 30.79 24.86 3 0 9.09 -999 ? OXT ACT A 157 >LEU^A 45 10.00 24.21 25.91 8.74 22.53 25.38 9.37 23.37 25.65 3 0 14.80 -999 ? OXT ACT A 157 >GLN.A 46 5.45 25.54 24.98 4.44 25.33 23.11 4.95 25.44 24.04 2 0 18.01 -999 ? OXT ACT A 157 >GLY.A 47 9.11 30.64 24.94 9.14 30.04 25.43 9.13 30.34 25.19 1 0 11.69 -999 ? OXT ACT A 157 >LEU^A 49 15.06 29.91 29.57 17.18 29.71 29.36 16.12 29.81 29.47 3 0 5.47 -999 ? OXT ACT A 157 >LEU.A 50 13.20 24.20 29.85 11.22 23.80 29.27 12.21 24.00 29.56 3 0 11.34 -999 ? OXT ACT A 157 >TYR.A 51 17.04 22.59 31.09 15.56 20.30 30.35 16.30 21.44 30.72 3 0 9.63 -999 ? NA NA A 155 >GLN.A 52 16.91 29.23 33.63 15.39 30.63 34.16 16.15 29.93 33.89 2 0 -3.49 -999 ? OXT ACT A 157s >GLY.A 53 21.43 26.36 36.59 21.61 26.22 35.78 21.52 26.29 36.19 1 0 8.60 -999 ? NA NA A 155 >GLN.A 54 26.77 24.20 37.67 27.98 25.02 39.22 27.38 24.61 38.44 2 0 11.99 -999 ? NA NA A 155 >LEU.A 55 25.82 20.03 34.49 25.32 18.38 33.24 25.57 19.21 33.86 3 0 10.44 -999 ? NA NA A 155 >GLY.A 56 25.81 18.35 38.83 25.26 18.98 38.88 25.53 18.66 38.85 1 0 8.77 -999 ? NA NA A 155 >ALA.A 57 24.32 20.92 41.18 25.02 22.30 41.26 24.67 21.61 41.22 2 0 8.26 -999 ? NA NA A 155 >ASP.A 58 20.59 23.14 39.25 21.60 24.62 40.36 21.10 23.88 39.81 2 0 -6.54 -999 ? NA NA A 155s >TYR.A 59 19.52 21.13 35.59 17.63 23.21 35.62 18.57 22.17 35.61 3 0 5.32 -999 ? NA NA A 155 >THR~A 60 21.51 15.64 36.50 19.76 14.55 37.02 20.64 15.10 36.76 2 0 6.57 -999 ? NA NA A 155 >VAL~A 61 23.38 14.35 33.46 25.25 13.24 33.15 24.31 13.79 33.30 3 0 11.50 -999 ? NA NA A 155 >SER~A 62 20.16 13.04 31.88 18.56 12.25 33.57 19.36 12.64 32.72 2 0 10.07 -999 ? NA NA A 155 >GLU~A 63 17.26 16.40 34.47 16.87 17.21 36.39 17.06 16.81 35.43 2 0 -4.56 -999 ? NA NA A 155s >GLY~A 64 21.67 18.05 30.75 21.15 17.46 30.49 21.41 17.75 30.62 1 0 10.53 -999 ? NA NA A 155 >TYR~A 65 20.94 13.40 26.68 20.59 11.99 24.31 20.76 12.69 25.49 3 0 12.84 -999 ? O ACT A 156 >ALA~A 66 17.57 16.77 27.54 16.46 16.54 28.63 17.02 16.65 28.08 2 0 11.99 -999 ? NA NA A 155 >ALA~A 67 18.67 20.44 27.70 19.44 21.14 28.87 19.05 20.79 28.28 2 0 11.58 -999 ? NA NA A 155 >CYH~A 68 21.25 20.07 24.93 23.71 20.02 26.23 22.48 20.04 25.58 2 0 10.58 -999 ? O ACT A 156 >ARG~A 69 16.39 15.06 22.86 15.54 13.27 20.48 15.96 14.16 21.67 2 0 18.23 -999 ? O ACT A 156 >LEU~A 70 15.45 21.42 24.56 13.55 22.45 24.68 14.50 21.93 24.62 3 0 14.77 -999 ? OXT ACT A 157 >ALA~A 71 18.79 23.77 22.53 20.10 24.05 23.31 19.45 23.91 22.92 2 0 11.65 -999 ? CH3 ACT B 155 >THR~A 72 19.69 21.83 19.38 21.18 20.34 19.03 20.44 21.08 19.20 2 0 13.37 -999 ? OXT ACT A 156 >LEU~A 73 14.86 21.06 19.22 13.13 20.03 18.53 13.99 20.54 18.88 3 0 18.29 -999 ? CH3 ACT B 155 >ASN~A 74 16.28 26.24 19.98 14.55 26.49 21.22 15.41 26.36 20.60 2 0 13.03 -999 ? CH3 ACT B 155 >ALA~A 75 19.13 25.62 16.56 20.49 24.98 16.88 19.81 25.30 16.72 2 0 12.68 -999 ? CH3 ACT B 155 >ILE~A 76 17.00 21.93 14.06 17.04 20.50 13.81 17.02 21.21 13.93 3 0 18.35 -999 ? CH3 ACT B 155 >ALA~A 77 14.48 25.78 13.95 13.63 26.23 15.18 14.06 26.00 14.57 2 0 16.12 -999 ? CH3 ACT B 155 >GLN~A 78 18.74 30.34 13.46 17.33 31.91 13.08 18.03 31.12 13.27 2 0 13.02 -999 ? CH3 ACT B 155 >LEU~A 79 19.07 25.17 10.44 21.18 24.95 10.87 20.12 25.06 10.65 3 0 16.20 -999 ? CA CA A 154 >LYS~A 80 15.07 25.84 8.84 10.87 22.96 6.24 12.97 24.40 7.54 2 0 25.04 -999 ? CH3 ACT B 155 >GLN~A 81 13.57 31.78 9.82 13.84 33.14 11.43 13.71 32.46 10.63 2 0 16.15 -999 ? CH3 ACT B 155 >ALA~A 82 17.44 30.40 7.04 18.82 30.27 7.57 18.13 30.34 7.31 2 0 17.44 -999 ? O ACT B 155 >CYH~A 83 17.28 27.52 4.51 19.61 26.61 5.66 18.45 27.06 5.09 2 0 18.34 -999 ? CA CA A 154 >GLY~A 84 13.57 26.91 3.98 14.07 26.33 4.26 13.82 26.62 4.12 1 0 23.83 -999 ? CH3 ACT B 155 >GLU~A 85 12.35 22.81 1.46 10.81 21.69 2.47 11.58 22.25 1.96 2 0 28.36 -999 ? CA CA A 154 >LEU~A 86 15.96 20.66 7.03 15.75 21.69 8.93 15.86 21.17 7.98 3 0 21.99 -999 ? CA CA A 154 >SER~A 87 17.17 18.90 2.88 15.51 17.19 2.50 16.34 18.05 2.69 2 0 26.06 -999 ? CA CA A 154 >ARG~A 88 16.67 24.27 -0.07 13.96 25.51 -0.82 15.31 24.89 -0.44 2 0 26.69 -999 ? CA CA A 154 >ILE~A 89 21.47 21.56 5.52 21.46 22.14 6.76 21.46 21.85 6.14 3 0 17.76 -999 ? CA CA A 154 >LYS.A 90 24.68 19.47 2.72 26.92 22.19 -2.44 25.80 20.83 0.14 2 0 20.31 -999 ? CA CA A 154 >GLN^A 91 28.55 19.39 5.82 30.60 18.69 5.68 29.58 19.04 5.75 2 0 14.40 -999 ? CA CA A 154 >ILE^A 92 24.87 19.93 10.78 23.74 20.51 11.56 24.31 20.22 11.17 3 0 14.41 -999 ? CA CA A 154 >TYR^A 93 30.75 21.94 8.87 31.04 24.70 8.81 30.90 23.32 8.84 3 0 9.23 -999 ? CA CA A 154 >ARG^A 94 33.10 21.99 14.77 36.02 22.10 15.66 34.56 22.04 15.21 2 0 6.73 -999 ? CA CA A 154 >LEU^A 95 27.86 20.28 17.39 26.59 20.17 19.14 27.22 20.22 18.26 3 0 8.41 -999 ? OXT ACT A 156 >GLU^A 96 31.72 24.61 17.88 33.05 26.14 17.17 32.38 25.37 17.52 2 0 4.17 -999 ? CA CA A 154 >GLY^A 97 28.34 23.59 23.00 29.14 23.76 23.05 28.74 23.67 23.02 1 0 8.50 -999 ? OXT ACT A 156 >VAL^A 98 28.83 25.37 26.31 29.56 27.45 26.35 29.20 26.41 26.33 3 0 10.32 -999 ? CH3 ACT B 155 >LEU^A 99 27.66 22.50 29.84 26.63 20.83 28.84 27.15 21.67 29.34 3 0 9.84 -999 ? O ACT A 156 >ASN.A 100 26.79 26.40 33.78 27.37 27.18 35.68 27.08 26.79 34.73 2 0 12.18 -999 ? O ACT A 157 >VAL.A 101 29.13 22.47 35.19 29.79 20.79 33.88 29.46 21.63 34.53 3 0 12.34 -999 ? O ACT A 156 >HIS.A 102 29.30 21.42 41.25 29.99 21.43 43.22 29.64 21.43 42.24 3 0 12.68 -999 ? NA NA A 155 >SER.A 104 31.93 17.40 41.07 29.55 17.71 41.61 30.74 17.56 41.34 2 0 12.55 -999 ? NA NA A 155 >CYH.A 105 30.82 16.44 37.53 28.62 16.37 35.74 29.72 16.40 36.64 2 0 12.28 -999 ? O ACT A 156 >ILE.A 106 34.44 15.11 34.46 35.64 14.53 34.97 35.04 14.82 34.71 3 0 10.56 -999 ? O ACT A 156 >GLU~A 107 29.67 11.91 34.17 30.94 10.57 33.18 30.31 11.24 33.68 2 0 10.45 -999 ? O ACT A 156 >HIS~A 108 31.21 18.57 30.67 33.30 18.73 30.73 32.26 18.65 30.70 3 0 7.05 -999 ? O ACT A 156 >PRO~A 109 32.55 15.03 28.18 30.36 15.47 28.02 31.45 15.25 28.10 3 0 -4.15 -999 ? O ACT A 156s >LYS~A 110 27.39 12.87 27.89 25.33 9.36 25.32 26.36 11.11 26.60 2 0 10.15 -999 ? O ACT A 156 >ALA~A 111 25.11 15.89 28.31 25.21 17.00 29.37 25.16 16.45 28.84 2 0 9.51 -999 ? O ACT A 156 >LEU~A 112 27.67 17.95 24.70 27.94 19.63 23.35 27.80 18.79 24.03 3 0 6.21 -999 ? O ACT A 156 >ASP~A 113 25.70 12.61 23.90 27.69 11.92 23.70 26.70 12.27 23.80 2 0 6.71 -999 ? O ACT A 156 >GLY~A 114 21.91 15.28 23.60 22.54 15.48 23.10 22.23 15.38 23.35 1 0 11.31 -999 ? O ACT A 156 >ALA~A 115 22.88 17.66 20.84 23.82 18.89 21.06 23.35 18.27 20.95 2 0 10.10 -999 ? OXT ACT A 156 >SER~A 116 25.10 15.22 18.86 27.46 15.52 19.50 26.28 15.37 19.18 2 0 7.04 -999 ? OXT ACT A 156 >ASP~A 117 21.93 11.72 20.23 23.33 10.54 21.24 22.63 11.13 20.73 2 0 11.56 -999 ? O ACT A 156 >LEU~A 118 19.07 15.92 18.42 17.08 16.73 18.10 18.07 16.33 18.26 3 0 16.14 -999 ? OXT ACT A 156 >LEU~A 119 23.15 16.54 14.82 23.49 18.67 15.09 23.32 17.61 14.95 3 0 12.86 -999 ? OXT ACT A 156 >LEU~A 120 23.20 11.27 14.51 25.35 11.06 14.32 24.27 11.17 14.41 3 0 13.70 -999 ? OXT ACT A 156 >GLU~A 121 16.51 11.08 15.81 15.76 11.38 17.82 16.13 11.23 16.82 2 0 19.11 -999 ? O ACT A 156 >ILE~A 122 17.03 15.54 12.91 15.63 15.47 13.04 16.33 15.50 12.97 3 0 19.84 -999 ? OXT ACT A 156 >PHE~A 123 20.23 17.19 9.86 18.91 19.64 10.16 19.57 18.41 10.01 3 0 18.94 -999 ? OXT ACT A 156 >GLY~A 124 21.31 11.16 9.24 21.71 11.88 9.33 21.51 11.52 9.28 1 0 19.08 -999 ? OXT ACT A 156 >GLU~A 125 24.98 8.76 6.32 26.08 8.02 8.00 25.53 8.39 7.16 2 0 18.71 -999 ? OXT ACT A 156 >ALA~A 126 24.33 14.76 6.82 23.20 15.46 6.07 23.77 15.11 6.45 2 0 19.62 -999 ? OXT ACT A 156 >GLY~A 127 24.41 15.18 10.62 24.97 14.74 10.30 24.69 14.96 10.46 1 0 15.24 -999 ? OXT ACT A 156 >ARG.A 128 28.39 10.07 10.41 26.99 7.93 12.19 27.69 9.00 11.30 2 0 15.29 -999 ? OXT ACT A 156 >HIS.A 129 28.27 16.79 14.76 27.39 15.79 16.37 27.83 16.29 15.57 3 0 9.16 -999 ? OXT ACT A 156 >SER^A 130 33.01 17.37 14.67 34.06 19.20 13.53 33.54 18.28 14.10 2 0 9.41 -999 ? OXT ACT A 156 >ARG^A 131 30.49 17.03 20.51 29.74 15.19 22.84 30.11 16.11 21.67 2 0 -3.80 -999 ? O ACT A 156s >MET?A 132 33.89 21.49 20.59 35.77 24.95 18.73 34.83 23.22 19.66 2 0 5.44 -999 ? CA CA A 154 >ILE^A 133 32.66 20.10 24.85 32.60 19.12 25.85 32.63 19.61 25.35 3 0 -3.93 -999 ? OXT ACT A 156s >TRP^A 134 35.67 26.16 25.27 33.57 26.49 21.98 34.62 26.32 23.63 3 0 9.14 -999 ? CA CA A 154 >THR^A 135 32.37 24.71 30.48 33.19 23.10 31.65 32.78 23.90 31.06 2 0 10.38 -999 ? O ACT A 156 >ASN.A 136 31.17 29.30 30.60 32.20 29.44 28.72 31.68 29.37 29.66 2 0 11.01 -999 ? CH3 ACT B 155 >PRO.A 137 33.01 30.85 34.95 31.38 29.39 34.48 32.19 30.12 34.72 3 0 14.46 -999 ? CH3 ACT B 155 >VAL.A 138 28.42 32.07 34.19 28.64 34.01 35.26 28.53 33.04 34.72 3 0 10.92 -999 ? O ACT A 157 >MET?A 139 25.92 31.78 31.36 27.25 28.91 30.01 26.58 30.35 30.69 2 0 9.26 -999 ? CH3 ACT B 155 >PRO.A 140 24.76 33.83 27.68 24.08 33.71 29.77 24.42 33.77 28.73 3 0 5.10 -999 ? CH3 ACT B 155 >LEU.A 141 19.19 33.55 30.18 18.28 34.92 28.74 18.73 34.24 29.46 3 0 -4.32 -999 ? OXT ACT A 157s >ASN.A 142 21.02 31.61 35.10 21.65 30.18 36.56 21.34 30.90 35.83 2 0 6.12 -999 ? O ACT A 157 >SER.A 143 21.05 28.91 31.02 20.75 27.97 28.81 20.90 28.44 29.91 2 0 8.29 -999 ? OXT ACT A 157 >LEU.A 144 21.56 24.13 31.84 22.21 22.26 32.70 21.88 23.19 32.27 3 0 9.77 -999 ? NA NA A 155 >CYH^A 145 23.61 25.27 28.11 21.75 23.52 26.94 22.68 24.40 27.52 2 0 12.12 -999 ? CH3 ACT B 155 >LEU^A 146 25.04 28.29 24.93 24.52 30.33 24.76 24.78 29.31 24.85 3 0 5.83 -999 ? CH3 ACT B 155 >VAL^A 147 24.51 25.35 21.41 23.54 23.43 21.02 24.03 24.39 21.21 3 0 10.92 -999 ? CH3 ACT B 155 >TYR^A 148 27.31 28.57 19.30 27.46 30.62 21.15 27.38 29.59 20.23 3 0 7.21 -999 ? O ACT B 155 >LEU^A 149 24.30 24.37 14.39 23.33 22.69 15.34 23.81 23.53 14.86 3 0 12.65 -999 ? CA CA A 154 >PHE^A 150 29.69 26.11 12.76 30.64 27.75 14.82 30.17 26.93 13.79 3 0 5.58 -999 ? CA CA A 154 >ALA^A 151 26.09 24.06 8.26 24.57 24.28 8.21 25.33 24.17 8.24 2 0 13.40 -999 ? CA CA A 154 >GLU^A 152 28.83 22.98 2.86 29.95 21.36 2.07 29.39 22.17 2.47 2 0 15.71 -999 ? CA CA A 154 >LEU.A 153 24.45 26.69 2.24 23.55 27.83 3.83 24.00 27.26 3.03 3 0 16.44 -999 ? CA CA A 154 >MET?B 1 33.82 62.96 0.94 35.90 62.57 -2.86 34.86 62.76 -0.96 2 0 16.00 -999 ? O3 GOL B 157 >MET?B 2 33.80 59.20 1.38 36.36 58.42 -1.49 35.08 58.81 -0.05 2 0 13.31 -999 ? O3 GOL B 157 >ASN.B 3 30.37 56.90 3.46 29.52 58.72 2.79 29.94 57.81 3.13 2 0 14.19 -999 ? C3 GOL B 157 >THR~B 4 34.58 54.64 4.73 36.40 55.60 4.04 35.49 55.12 4.38 2 0 8.29 -999 ? O3 GOL B 157 >PRO~B 5 34.93 50.85 6.86 34.85 53.02 7.39 34.89 51.94 7.13 3 0 8.43 -999 ? C3 GOL B 157 >GLU~B 6 40.02 54.15 7.70 39.53 52.59 6.33 39.77 53.37 7.01 2 0 -5.61 -999 ? O3 GOL B 157s >SER~B 7 35.64 58.28 8.25 33.83 57.92 6.67 34.74 58.10 7.46 2 0 8.37 -999 ? C3 GOL B 157 >ARG~B 8 30.63 54.39 9.29 30.49 53.01 6.49 30.56 53.70 7.89 2 0 11.78 -999 ? C3 GOL B 157 >LEU~B 9 37.26 55.51 13.08 37.63 53.36 13.47 37.45 54.43 13.28 3 0 4.22 -999 ? C2 GOL B 157 >VAL~B 10 36.97 59.96 12.75 38.15 61.11 11.32 37.56 60.54 12.04 3 0 4.54 -999 ? O2 GOL B 157 >ALA~B 11 33.35 61.05 13.13 32.22 60.69 12.18 32.78 60.87 12.65 2 0 9.18 -999 ? O2 GOL B 157 >ALA~B 12 33.12 59.07 16.41 33.06 57.54 16.48 33.09 58.31 16.44 2 0 8.35 -999 ? O2 GOL B 157 >GLY.B 13 36.28 60.72 17.71 36.18 59.93 17.54 36.23 60.33 17.63 1 0 7.02 -999 ? O2 GOL B 157 >LEU.B 14 37.27 56.08 17.59 35.78 55.30 18.94 36.53 55.69 18.26 3 0 -6.80 -999 ? O2 GOL B 157s >LEU.B 16 43.09 52.82 14.78 41.48 51.81 13.69 42.28 52.32 14.23 3 0 -4.05 -999 ? C1 GOL B 157s >PRO.B 17 43.96 50.61 19.40 44.88 52.31 18.28 44.42 51.46 18.84 3 0 7.08 -999 ? O1 GOL B 157 >VAL.B 19 48.45 46.98 17.21 47.89 45.88 15.42 48.17 46.43 16.32 3 0 11.51 -999 ? O1 GOL B 157 >ALA.B 20 49.63 44.96 20.21 48.78 44.55 21.39 49.21 44.76 20.80 2 0 9.95 -999 ? CH3 ACT C 155 >ALA.B 21 52.19 42.15 19.92 53.58 42.21 20.54 52.88 42.18 20.23 2 0 7.10 -999 ? CH3 ACT B 156 >ALA.B 22 51.14 38.50 20.26 51.50 37.41 19.26 51.32 37.96 19.76 2 0 5.83 -999 ? O ACT B 156 >LEU.B 23 50.22 36.73 24.71 49.46 38.30 25.92 49.84 37.52 25.32 3 0 4.54 -999 ? CH3 ACT C 155 >GLY.B 24 53.05 33.81 22.36 52.90 34.37 21.71 52.98 34.09 22.03 1 0 -3.57 -999 ? OXT ACT B 156s >ASN.B 25 55.36 31.10 19.24 57.02 31.65 20.51 56.19 31.37 19.88 2 0 -3.61 -999 ? OXT ACT B 156s >TYR.B 26 49.54 33.51 18.75 48.77 35.36 20.70 49.15 34.43 19.73 3 0 -3.97 -999 ? OXT ACT C 155s >GLU.B 27 50.95 34.10 12.15 52.66 35.31 11.88 51.80 34.70 12.01 2 0 10.41 -999 ? O ACT B 156 >PRO.B 28 49.68 39.58 14.15 48.49 37.89 14.92 49.08 38.73 14.53 3 0 9.92 -999 ? OXT ACT C 155 >TYR^B 29 46.05 39.08 10.45 47.77 40.28 8.65 46.91 39.68 9.55 3 0 14.39 -999 ? OXT ACT C 155 >SER^B 30 45.41 34.51 9.64 44.40 32.56 10.82 44.91 33.53 10.23 2 0 10.63 -999 ? CA CA A 154 >ILE^B 31 44.08 35.26 5.20 43.88 36.52 4.45 43.98 35.89 4.83 3 0 15.04 -999 ? CA CA A 154 >VAL^B 32 42.10 31.13 4.66 40.91 29.50 5.54 41.51 30.31 5.10 3 0 11.64 -999 ? CA CA A 154 >GLY.B 33 40.51 31.81 1.32 40.80 32.33 1.90 40.65 32.07 1.61 1 0 14.81 -999 ? CA CA A 154 >SER.B 34 38.44 34.94 1.78 36.12 34.31 1.59 37.28 34.63 1.69 2 0 14.40 -999 ? CA CA A 154 >GLN^B 35 36.42 32.87 5.54 35.85 30.90 6.05 36.13 31.88 5.80 2 0 9.07 -999 ? CA CA A 154 >LEU^B 36 40.65 38.26 7.36 42.18 39.68 7.88 41.42 38.97 7.62 3 0 13.92 -999 ? CA CA A 154 >MET?B 37 40.50 36.01 11.50 40.51 31.84 11.34 40.51 33.92 11.42 2 0 6.98 -999 ? CA CA A 154 >THR^B 38 42.26 37.72 14.38 41.08 39.42 14.96 41.67 38.57 14.67 2 0 11.05 -999 ? OXT ACT C 155 >SER.B 39 43.90 36.24 17.45 45.90 35.06 16.81 44.90 35.65 17.13 2 0 5.94 -999 ? OXT ACT C 155 >GLY.B 40 42.74 37.67 20.79 43.33 38.02 20.33 43.03 37.85 20.56 1 0 5.18 -999 ? CH3 ACT C 155 >GLN.B 41 42.05 41.64 18.62 43.98 42.18 17.95 43.01 41.91 18.29 2 0 9.36 -999 ? CH3 ACT C 155 >PHE.B 42 44.41 41.76 25.35 45.32 39.14 25.69 44.86 40.45 25.52 3 0 5.52 -999 ? CH3 ACT C 155 >PRO.B 43 40.46 45.42 27.64 41.45 45.89 25.67 40.96 45.65 26.65 3 0 11.86 -999 ? CH3 ACT C 155 >TYR^B 44 46.38 46.88 24.92 47.86 44.67 25.74 47.12 45.78 25.33 3 0 10.60 -999 ? CH3 ACT C 155 >LEU^B 45 43.65 52.99 26.18 42.84 55.00 25.92 43.24 54.00 26.05 3 0 12.25 -999 ? O1 GOL B 157 >GLN.B 46 47.22 56.33 25.19 48.03 57.26 23.46 47.62 56.79 24.33 2 0 10.63 -999 ? O1 GOL B 157 >GLY.B 47 49.80 50.60 25.44 49.22 50.88 25.91 49.51 50.74 25.67 1 0 14.46 -999 ? O1 GOL B 157 >LEU^B 49 46.05 45.86 29.96 44.80 44.16 29.56 45.43 45.01 29.76 3 0 11.32 -999 ? CH3 ACT C 155 >LEU.B 50 42.11 50.33 29.95 42.39 52.44 29.78 42.25 51.38 29.87 3 0 12.48 -999 ? NA NA B 154 >TYR.B 51 38.67 47.80 31.20 37.45 50.17 30.42 38.06 48.99 30.81 3 0 9.73 -999 ? NA NA B 154 >GLN.B 52 44.33 44.57 33.83 46.28 45.09 34.46 45.30 44.83 34.15 2 0 12.62 -999 ? NA NA B 154 >GLY.B 53 39.59 42.08 36.73 39.39 41.96 35.92 39.49 42.02 36.32 1 0 8.66 -999 ? NA NA B 154 >GLN.B 54 34.96 38.55 37.68 35.12 37.08 39.20 35.04 37.81 38.44 2 0 11.99 -999 ? NA NA B 154 >LEU.B 55 31.95 41.39 34.37 30.77 42.64 33.11 31.36 42.02 33.74 3 0 10.54 -999 ? NA NA B 154 >GLY.B 56 30.39 42.31 38.62 31.18 42.43 38.70 30.78 42.37 38.66 1 0 8.75 -999 ? NA NA B 154 >ALA.B 57 33.26 42.28 41.12 34.15 40.99 41.25 33.71 41.63 41.18 2 0 8.24 -999 ? NA NA B 154 >ASP.B 58 37.14 44.37 39.30 37.95 42.85 40.47 37.55 43.61 39.89 2 0 -6.53 -999 ? NA NA B 154s >TYR.B 59 35.97 46.43 35.59 38.70 46.94 35.75 37.33 46.69 35.67 3 0 5.38 -999 ? NA NA B 154 >THR~B 60 30.23 47.34 36.39 30.07 49.38 36.90 30.15 48.36 36.65 2 0 6.64 -999 ? NA NA B 154 >VAL~B 61 28.28 46.36 33.27 26.42 45.23 32.91 27.35 45.80 33.09 3 0 11.53 -999 ? NA NA B 154 >SER~B 62 28.75 49.80 31.69 28.70 51.48 33.48 28.73 50.64 32.59 2 0 10.12 -999 ? NA NA B 154 >GLU~B 63 32.92 50.73 34.43 33.52 50.82 36.45 33.22 50.77 35.44 2 0 -4.80 -999 ? NA NA B 154s >GLY~B 64 32.46 46.02 30.67 32.18 46.77 30.41 32.32 46.39 30.54 1 0 10.59 -999 ? NA NA B 154 >TYR~B 65 28.85 48.96 26.53 27.86 49.95 24.09 28.35 49.45 25.31 3 0 12.77 -999 ? OXT ACT B 155 >ALA~B 66 33.39 50.21 27.46 33.67 51.23 28.55 33.53 50.72 28.01 2 0 12.12 -999 ? NA NA B 154 >ALA~B 67 35.99 47.45 27.76 36.13 46.47 28.91 36.06 46.96 28.34 2 0 11.64 -999 ? NA NA B 154 >CYH~B 68 34.54 45.38 24.93 33.24 43.27 26.18 33.89 44.33 25.56 2 0 10.58 -999 ? OXT ACT B 155 >ARG~B 69 32.70 52.12 22.74 31.66 53.77 20.30 32.18 52.94 21.52 2 0 12.12 -999 ? O2 GOL B 157 >LEU~B 70 38.60 49.71 24.73 40.37 50.94 24.92 39.49 50.33 24.82 3 0 12.93 -999 ? O1 GOL B 157 >ALA~B 71 39.05 45.65 22.68 38.57 44.40 23.45 38.81 45.03 23.07 2 0 11.81 -999 ? CH3 ACT C 155 >THR~B 72 37.01 45.85 19.46 34.99 45.35 19.01 36.00 45.60 19.24 2 0 13.46 -999 ? O ACT B 155 >LEU~B 73 38.78 50.41 19.38 38.98 52.42 18.64 38.88 51.42 19.01 3 0 8.26 -999 ? O1 GOL B 157 >ASN~B 74 42.51 46.58 20.25 43.52 47.97 21.50 43.01 47.28 20.87 2 0 11.33 -999 ? O1 GOL B 157 >ALA~B 75 40.61 44.41 16.78 39.36 43.56 17.11 39.98 43.98 16.94 2 0 12.65 -999 ? CH3 ACT C 155 >ILE~B 76 38.63 48.10 14.21 37.36 48.75 13.93 38.00 48.42 14.07 3 0 8.68 -999 ? C2 GOL B 157 >ALA~B 77 43.21 48.31 14.21 43.95 48.88 15.45 43.58 48.60 14.83 2 0 7.80 -999 ? C1 GOL B 157 >GLN~B 78 44.73 42.26 14.08 46.81 42.44 14.32 45.77 42.35 14.20 2 0 11.99 -999 ? CH3 ACT C 155 >LEU~B 79 40.54 44.48 10.62 39.23 42.83 11.14 39.88 43.66 10.88 3 0 12.24 -999 ? O3 GOL B 157 >LYS~B 80 43.25 47.72 9.17 43.26 52.65 6.77 43.26 50.18 7.97 2 0 5.06 -999 ? O3 GOL B 157 >GLN~B 81 49.07 46.04 10.53 49.90 44.94 12.15 49.49 45.49 11.34 2 0 13.35 -999 ? C1 GOL B 157 >ALA~B 82 45.95 43.38 7.56 45.03 42.31 8.10 45.49 42.85 7.83 2 0 14.05 -999 ? O3 GOL B 157 >CYH~B 83 43.76 45.00 4.81 41.50 43.67 5.76 42.63 44.34 5.28 2 0 12.96 -999 ? O3 GOL B 157 >GLY~B 84 45.10 48.53 4.44 44.35 48.37 4.70 44.73 48.45 4.57 1 0 9.99 -999 ? O3 GOL B 157 >GLU~B 85 42.41 51.46 1.69 42.15 53.39 2.53 42.28 52.42 2.11 2 0 8.26 -999 ? O3 GOL B 157 >LEU~B 86 38.44 49.56 7.24 39.27 49.12 9.22 38.86 49.34 8.23 3 0 7.35 -999 ? O3 GOL B 157 >SER~B 87 36.56 49.41 2.87 36.39 51.76 2.37 36.48 50.58 2.62 2 0 10.43 -999 ? O3 GOL B 157 >ARG~B 88 41.82 46.82 0.54 44.06 48.85 -0.28 42.94 47.83 0.13 2 0 12.97 -999 ? O3 GOL B 157 >ILE~B 89 36.18 44.47 5.72 36.52 44.19 7.03 36.35 44.33 6.37 3 0 13.24 -999 ? O3 GOL B 157 >LYS.B 90 32.96 42.77 2.68 33.55 39.57 -2.71 33.26 41.17 -0.02 2 0 20.70 -999 ? CA CA A 154 >GLN^B 91 30.80 39.51 5.41 29.29 37.97 5.60 30.05 38.74 5.51 2 0 14.39 -999 ? CA CA A 154 >ILE^B 92 32.69 42.33 10.84 34.09 42.43 11.21 33.39 42.38 11.03 3 0 14.29 -999 ? CA CA A 154 >TYR^B 93 31.82 36.16 8.77 34.07 34.53 8.81 32.95 35.35 8.79 3 0 9.28 -999 ? CA CA A 154 >ARG^B 94 30.73 34.05 14.59 29.16 31.61 15.47 29.95 32.83 15.03 2 0 6.83 -999 ? CA CA A 154 >LEU^B 95 31.60 39.49 17.28 32.00 40.69 19.03 31.80 40.09 18.16 3 0 8.39 -999 ? O ACT B 155 >GLU^B 96 33.53 33.99 17.83 34.21 32.12 17.12 33.87 33.06 17.48 2 0 4.23 -999 ? CA CA A 154 >GLY^B 97 34.11 37.47 22.94 33.89 36.68 22.98 34.00 37.07 22.96 1 0 8.51 -999 ? O ACT B 155 >VAL^B 98 35.34 36.20 26.29 36.81 34.55 26.39 36.07 35.37 26.34 3 0 10.32 -999 ? CH3 ACT C 155 >LEU^B 99 33.46 38.68 29.81 32.39 40.07 28.47 32.92 39.38 29.14 3 0 9.78 -999 ? OXT ACT B 155 >ASN.B 100 37.09 37.52 33.88 37.38 36.54 35.75 37.24 37.03 34.81 2 0 13.35 -999 ? NA NA B 154 >VAL.B 101 32.40 37.40 35.05 30.69 37.69 33.65 31.55 37.54 34.35 3 0 12.24 -999 ? OXT ACT B 155 >HIS.B 102 31.32 37.77 41.09 30.95 37.19 43.06 31.14 37.48 42.07 3 0 12.55 -999 ? NA NA B 154 >SER.B 104 26.44 37.43 40.79 27.88 39.31 41.43 27.16 38.37 41.11 2 0 12.56 -999 ? NA NA B 154 >CYH.B 105 26.32 38.90 37.25 27.32 40.86 35.57 26.82 39.88 36.41 2 0 11.42 -999 ? CH3 ACT A 157 >ILE.B 106 23.50 36.38 34.13 22.36 35.75 34.64 22.93 36.07 34.39 3 0 -5.45 -999 ? O ACT A 157s >GLU~B 107 23.05 42.15 33.72 21.29 41.65 32.67 22.17 41.90 33.19 2 0 6.90 -999 ? CH3 ACT A 157 >HIS~B 108 28.15 37.48 30.43 27.25 35.60 30.52 27.70 36.54 30.48 3 0 7.00 -999 ? OXT ACT B 155 >PRO~B 109 24.48 38.10 27.77 25.94 39.78 27.68 25.21 38.94 27.73 3 0 -3.98 -999 ? OXT ACT B 155s >ALA~B 111 28.92 44.13 28.07 29.84 43.45 29.12 29.38 43.79 28.59 2 0 9.42 -999 ? OXT ACT B 155 >LEU~B 112 29.50 40.82 24.52 30.88 39.76 23.16 30.19 40.29 23.84 3 0 6.20 -999 ? O ACT B 155 >ASP~B 113 25.86 45.22 23.58 24.28 43.86 23.23 25.07 44.54 23.41 2 0 6.70 -999 ? OXT ACT B 155 >GLY~B 114 30.09 47.21 23.47 29.98 46.53 22.95 30.03 46.87 23.21 1 0 11.31 -999 ? OXT ACT B 155 >ALA~B 115 31.77 45.16 20.73 32.32 43.71 20.89 32.05 44.43 20.81 2 0 10.10 -999 ? O ACT B 155 >SER~B 116 28.64 44.49 18.64 27.78 42.29 19.26 28.21 43.39 18.95 2 0 7.15 -999 ? O ACT B 155 >ASP~B 117 27.12 48.97 19.93 25.38 48.29 20.91 26.25 48.63 20.42 2 0 11.53 -999 ? OXT ACT B 155 >LEU~B 118 32.23 49.32 18.29 33.93 50.68 18.09 33.08 50.00 18.19 3 0 11.67 -999 ? C2 GOL B 157 >LEU~B 119 30.83 45.45 14.72 32.53 44.08 15.05 31.68 44.76 14.88 3 0 12.87 -999 ? O ACT B 155 >LEU~B 120 26.29 48.09 14.20 25.05 46.30 14.04 25.67 47.20 14.12 3 0 13.76 -999 ? O ACT B 155 >GLU~B 121 29.52 53.94 15.47 30.19 54.51 17.41 29.85 54.22 16.44 2 0 11.77 -999 ? O2 GOL B 157 >ILE~B 122 33.19 51.21 12.81 33.90 52.43 12.96 33.54 51.82 12.89 3 0 8.71 -999 ? C3 GOL B 157 >PHE~B 123 32.96 47.59 9.72 35.71 47.46 10.18 34.33 47.52 9.95 3 0 11.04 -999 ? O3 GOL B 157 >GLY~B 124 27.31 49.77 8.99 27.72 49.07 9.08 27.51 49.42 9.04 1 0 15.15 -999 ? C3 GOL B 157 >GLU~B 125 23.39 47.82 6.05 22.07 46.82 7.38 22.73 47.32 6.72 2 0 18.77 -999 ? O ACT B 155 >ALA~B 126 28.93 45.34 6.63 30.10 45.94 5.88 29.52 45.64 6.26 2 0 15.84 -999 ? O3 GOL B 157 >GLY~B 127 29.18 45.09 10.45 28.52 44.81 10.09 28.85 44.95 10.27 1 0 15.31 -999 ? O ACT B 155 >ARG.B 128 22.77 44.22 10.21 21.62 46.58 11.87 22.19 45.40 11.04 2 0 15.34 -999 ? O ACT B 155 >HIS.B 129 28.45 40.94 14.56 28.02 42.28 16.12 28.23 41.61 15.34 3 0 9.26 -999 ? O ACT B 155 >SER^B 130 26.62 36.52 14.42 27.73 34.61 13.31 27.17 35.56 13.87 2 0 9.50 -999 ? O ACT B 155 >ARG^B 131 27.48 38.90 20.32 26.11 40.50 22.56 26.79 39.70 21.44 2 0 -3.85 -999 ? OXT ACT B 155s >MET?B 132 29.64 33.75 20.42 31.68 30.37 18.67 30.66 32.06 19.54 2 0 5.53 -999 ? CA CA A 154 >ILE^B 133 28.94 35.50 24.63 28.18 36.05 25.66 28.56 35.77 25.15 3 0 3.95 -999 ? O ACT B 155 >TRP^B 134 32.68 29.89 25.12 34.13 31.50 21.89 33.41 30.70 23.51 3 0 9.08 -999 ? CA CA A 154 >THR^B 135 32.95 33.46 30.38 31.12 33.56 31.53 32.03 33.51 30.95 2 0 10.40 -999 ? OXT ACT B 155 >ASN.B 136 37.47 32.19 30.65 37.15 31.17 28.78 37.31 31.68 29.72 2 0 11.00 -999 ? CH3 ACT C 155 >PRO.B 137 37.86 29.84 34.96 37.41 31.98 34.51 37.64 30.91 34.73 3 0 14.41 -999 ? CH3 ACT C 155 >VAL.B 138 41.19 33.14 34.32 42.82 32.05 35.37 42.01 32.60 34.85 3 0 11.96 -999 ? CH3 ACT C 155 >MET?B 139 42.26 35.52 31.56 39.13 35.82 30.13 40.70 35.67 30.84 2 0 9.34 -999 ? CH3 ACT C 155 >PRO.B 140 44.60 35.38 27.89 44.86 36.17 29.99 44.73 35.77 28.94 3 0 5.20 -999 ? CH3 ACT C 155 >LEU.B 141 47.21 40.46 30.48 48.93 40.68 29.11 48.07 40.57 29.80 3 0 8.11 -999 ? CH3 ACT C 155 >ASN.B 142 44.47 39.74 35.35 45.22 38.16 36.58 44.85 38.95 35.97 2 0 12.99 -999 ? CH3 ACT C 155 >SER.B 143 42.17 41.15 31.23 41.64 41.92 28.96 41.90 41.54 30.09 2 0 9.42 -999 ? CH3 ACT C 155 >LEU.B 144 37.78 43.06 31.98 35.82 43.39 32.67 36.80 43.22 32.32 3 0 9.88 -999 ? NA NA B 154 >CYH^B 145 37.83 40.69 28.19 37.24 43.23 27.05 37.53 41.96 27.62 2 0 12.28 -999 ? CH3 ACT C 155 >LEU^B 146 39.85 38.04 25.15 41.87 37.36 24.90 40.86 37.70 25.03 3 0 5.86 -999 ? CH3 ACT C 155 >VAL^B 147 37.67 39.92 21.46 36.43 41.71 21.04 37.05 40.82 21.25 3 0 10.94 -999 ? CH3 ACT C 155 >TYR^B 148 39.12 35.92 19.32 40.87 34.84 21.23 39.99 35.38 20.28 3 0 7.13 -999 ? CH3 ACT C 155 >LEU^B 149 37.05 40.62 14.43 36.03 42.28 15.35 36.54 41.45 14.89 3 0 12.77 -999 ? CA CA A 154 >PHE^B 150 35.96 35.10 12.85 36.78 33.47 14.94 36.37 34.29 13.89 3 0 5.72 -999 ? CA CA A 154 >ALA^B 151 36.00 39.19 8.28 36.87 40.44 8.25 36.43 39.81 8.27 2 0 13.52 -999 ? CA CA A 154 >GLU^B 152 33.80 37.36 2.84 31.88 37.07 2.00 32.84 37.21 2.42 2 0 15.69 -999 ? CA CA A 154 >LEU.B 153 38.96 39.75 2.09 40.31 40.39 3.62 39.64 40.07 2.85 3 0 17.05 -999 ? CA CA A 154 >ASN.C 3 62.08 18.56 3.81 62.59 18.44 5.90 62.33 18.50 4.86 2 0 22.79 -999 ? O ACT C 156 >THR~C 4 57.80 16.56 5.00 57.70 14.58 4.22 57.75 15.57 4.61 2 0 25.75 -999 ? O ACT C 156 >PRO~C 5 54.29 18.12 7.19 56.23 17.11 7.63 55.26 17.61 7.41 3 0 22.00 -999 ? O ACT C 156 >GLU~C 6 54.59 12.06 7.93 53.48 13.31 6.59 54.04 12.69 7.26 2 0 25.00 -999 ? O ACT C 156 >SER~C 7 60.44 13.75 8.40 60.61 15.40 6.61 60.52 14.57 7.50 2 0 23.16 -999 ? O ACT C 156 >ARG~C 8 59.79 20.06 9.52 58.61 20.94 6.78 59.20 20.50 8.15 2 0 20.84 -999 ? O ACT B 156 >LEU~C 9 57.24 13.78 13.20 55.21 14.56 13.66 56.22 14.17 13.43 3 0 18.44 -999 ? O ACT C 156 >VAL~C 10 61.22 11.74 12.90 61.49 10.14 11.47 61.36 10.94 12.18 3 0 21.20 -999 ? O ACT C 156 >ALA~C 11 64.08 14.26 13.28 64.40 15.41 12.33 64.24 14.83 12.81 2 0 18.75 -999 ? O ACT C 156 >ALA~C 12 62.43 15.51 16.52 61.17 16.36 16.53 61.80 15.94 16.52 2 0 14.35 -999 ? O ACT C 156 >GLY.C 13 62.22 11.93 17.79 61.60 12.42 17.64 61.91 12.17 17.71 1 0 16.57 -999 ? OXT ACT C 156 >LEU.C 14 57.72 13.47 17.61 57.66 15.13 18.99 57.69 14.30 18.30 3 0 14.48 -999 ? OXT ACT C 156 >LEU.C 16 51.97 10.15 14.79 51.79 12.02 13.72 51.88 11.09 14.25 3 0 19.75 -999 ? CH3 ACT A 156 >PRO.C 17 49.59 10.56 19.38 50.59 8.85 18.30 50.09 9.70 18.84 3 0 16.80 -999 ? CH3 ACT A 156 >VAL.C 19 44.22 8.40 17.27 43.46 9.45 15.50 43.84 8.92 16.38 3 0 13.47 -999 ? CH3 ACT A 156 >ALA.C 20 41.90 8.44 20.29 42.04 9.39 21.47 41.97 8.91 20.88 2 0 9.81 -999 ? CH3 ACT A 156 >ALA.C 21 38.18 7.59 20.09 37.59 6.33 20.74 37.89 6.96 20.41 2 0 10.66 -999 ? CH3 ACT A 156 >ALA.C 22 35.55 10.35 20.36 34.40 10.51 19.36 34.97 10.43 19.86 2 0 7.22 -999 ? C ACT A 156 >LEU.C 23 34.50 12.04 24.83 36.12 11.82 26.23 35.31 11.93 25.53 3 0 4.49 -999 ? O ACT A 156 >GLY.C 24 30.54 11.17 22.43 31.10 10.91 21.80 30.82 11.04 22.12 1 0 5.60 -999 ? O ACT A 156 >ASN.C 25 27.00 10.52 19.31 26.17 9.23 17.83 26.59 9.87 18.57 2 0 11.57 -999 ? O ACT A 156 >TYR.C 26 32.08 14.11 18.82 34.04 13.86 20.78 33.06 13.99 19.80 3 0 -4.13 -999 ? OXT ACT A 156s >GLU.C 27 31.96 12.52 12.33 32.21 10.44 12.06 32.09 11.48 12.19 2 0 12.49 -999 ? OXT ACT A 156 >PRO.C 28 37.34 11.16 14.06 36.43 12.93 15.01 36.88 12.05 14.54 3 0 10.02 -999 ? OXT ACT A 156 >TYR^C 29 38.63 14.34 10.54 38.67 12.20 8.76 38.65 13.27 9.65 3 0 14.42 -999 ? OXT ACT A 156 >SER^C 30 35.13 17.27 9.69 33.88 19.00 10.80 34.50 18.14 10.24 2 0 10.65 -999 ? CA CA A 154 >ILE^C 31 36.36 18.10 5.26 37.54 17.58 4.50 36.95 17.84 4.88 3 0 14.86 -999 ? CA CA A 154 >VAL^C 32 33.82 21.88 4.73 32.86 23.69 5.45 33.34 22.79 5.09 3 0 11.60 -999 ? CA CA A 154 >GLY.C 33 35.27 22.87 1.38 35.57 22.41 1.99 35.42 22.64 1.69 1 0 14.69 -999 ? CA CA A 154 >SER.C 34 39.01 23.15 1.86 39.76 25.42 1.65 39.39 24.29 1.76 2 0 14.31 -999 ? CA CA A 154 >GLN^C 35 38.38 25.99 5.64 36.90 27.50 5.95 37.64 26.74 5.79 2 0 9.12 -999 ? CA CA A 154 >LEU^C 36 40.79 19.57 7.44 41.39 17.54 8.03 41.09 18.56 7.73 3 0 13.69 -999 ? CA CA A 154 >MET?C 37 38.94 20.76 11.57 35.24 22.63 11.39 37.09 21.70 11.48 2 0 7.02 -999 ? CA CA A 154 >THR^C 38 39.51 18.41 14.49 41.61 18.54 15.08 40.56 18.48 14.78 2 0 11.07 -999 ? CH3 ACT A 156 >SER.C 39 37.39 17.72 17.52 35.39 16.51 16.86 36.39 17.12 17.19 2 0 6.08 -999 ? OXT ACT A 156 >GLY.C 40 39.09 18.09 20.88 39.11 17.41 20.44 39.10 17.75 20.66 1 0 5.10 -999 ? CH3 ACT A 156 >GLN.C 41 42.85 16.48 18.77 42.09 14.58 18.31 42.47 15.53 18.54 2 0 8.87 -999 ? CH3 ACT A 156 >PHE.C 42 41.73 14.53 25.57 38.98 14.97 25.92 40.35 14.75 25.74 3 0 5.35 -999 ? CH3 ACT A 156 >PRO.C 43 46.82 16.08 27.79 46.78 15.03 25.81 46.80 15.56 26.80 3 0 11.64 -999 ? CH3 ACT A 156 >TYR^C 44 45.06 10.24 25.08 42.42 10.07 25.94 43.74 10.16 25.51 3 0 10.35 -999 ? CH3 ACT A 156 >LEU^C 45 51.83 9.42 26.26 53.92 9.23 25.72 52.88 9.32 25.99 3 0 16.54 -999 ? OXT ACT C 156 >GLN.C 46 52.76 4.45 24.92 52.53 3.15 23.24 52.64 3.80 24.08 2 0 21.49 -999 ? CH3 ACT A 156 >GLY.C 47 46.61 5.47 25.47 47.14 5.80 25.94 46.87 5.63 25.71 1 0 15.54 -999 ? CH3 ACT A 156 >LEU^C 49 44.48 11.05 30.04 43.64 13.01 29.85 44.06 12.03 29.95 3 0 11.22 -999 ? CH3 ACT A 156 >LEU.C 50 50.34 12.25 30.16 51.69 10.73 29.51 51.01 11.49 29.83 3 0 12.45 -999 ? NA NA C 154 >TYR.C 51 49.89 16.44 31.28 52.57 16.26 30.50 51.23 16.35 30.89 3 0 9.58 -999 ? NA NA C 154 >GLN.C 52 44.12 13.13 33.98 43.82 11.14 34.64 43.97 12.13 34.31 2 0 12.52 -999 ? NA NA C 154 >GLY.C 53 44.49 18.49 36.84 44.48 18.72 36.04 44.48 18.60 36.44 1 0 8.72 -999 ? NA NA C 154 >GLN.C 54 43.80 24.22 37.84 42.51 24.88 39.37 43.16 24.55 38.60 2 0 12.06 -999 ? NA NA C 154 >LEU.C 55 47.77 25.41 34.48 49.47 25.89 33.18 48.62 25.65 33.83 3 0 10.54 -999 ? NA NA C 154 >GLY.C 56 49.33 26.32 38.75 49.07 25.53 38.83 49.20 25.92 38.79 1 0 8.83 -999 ? NA NA C 154 >ALA.C 57 47.91 23.81 41.22 46.42 23.66 41.34 47.16 23.74 41.28 2 0 8.27 -999 ? NA NA C 154 >ASP.C 58 47.81 19.43 39.35 46.10 19.54 40.53 46.96 19.48 39.94 2 0 -6.57 -999 ? NA NA C 154s >TYR.C 59 50.07 19.44 35.68 49.17 16.81 35.81 49.62 18.13 35.75 3 0 5.32 -999 ? NA NA C 154 >THR~C 60 53.79 23.91 36.46 55.66 22.98 36.96 54.73 23.45 36.71 2 0 6.56 -999 ? NA NA C 154 >VAL~C 61 53.93 26.10 33.38 53.88 28.22 32.95 53.90 27.16 33.16 3 0 6.13 -999 ? CH3 ACT C 156 >SER~C 62 56.66 23.91 31.83 58.11 23.02 33.57 57.38 23.46 32.70 2 0 5.21 -999 ? OXT ACT C 156 >GLU~C 63 55.22 19.72 34.48 54.81 19.12 36.46 55.02 19.42 35.47 2 0 -4.46 -999 ? NA NA C 154s >GLY~C 64 51.46 22.66 30.81 52.24 22.50 30.54 51.85 22.58 30.67 1 0 8.06 -999 ? CH3 ACT C 156 >TYR~C 65 55.83 24.26 26.64 57.22 24.58 24.23 56.52 24.42 25.43 3 0 4.08 -999 ? O ACT C 156 >ALA~C 66 54.60 19.72 27.63 55.32 18.91 28.77 54.96 19.32 28.20 2 0 6.82 -999 ? OXT ACT C 156 >ALA~C 67 50.89 18.86 27.86 50.01 19.22 29.03 50.45 19.04 28.44 2 0 10.90 -999 ? OXT ACT C 156 >CYH~C 68 49.88 21.20 25.05 48.73 23.43 26.26 49.31 22.31 25.65 2 0 10.38 -999 ? O ACT C 155 >ARG~C 69 56.60 19.24 22.90 58.45 19.48 20.41 57.53 19.36 21.65 2 0 9.42 -999 ? O ACT C 156 >LEU~C 70 51.55 15.49 24.79 51.53 13.34 25.02 51.54 14.41 24.91 3 0 13.27 -999 ? OXT ACT C 156 >ALA~C 71 47.82 17.17 22.79 46.96 18.16 23.56 47.39 17.66 23.18 2 0 11.61 -999 ? CH3 ACT A 156 >THR~C 72 48.99 18.84 19.55 49.61 20.83 19.10 49.30 19.84 19.33 2 0 13.37 -999 ? OXT ACT C 155 >LEU~C 73 51.97 15.05 19.46 53.60 13.90 18.65 52.79 14.48 19.05 3 0 15.33 -999 ? OXT ACT C 156 >ASN~C 74 46.85 13.77 20.33 47.57 12.21 21.59 47.21 12.99 20.96 2 0 12.95 -999 ? CH3 ACT A 156 >ALA~C 75 45.89 16.53 16.89 45.74 18.01 17.22 45.82 17.27 17.05 2 0 12.41 -999 ? CH3 ACT A 156 >ILE~C 76 50.03 16.43 14.25 51.18 17.13 13.98 50.60 16.78 14.12 3 0 18.06 -999 ? CH3 ACT A 156 >ALA~C 77 47.97 12.33 14.28 48.02 11.46 15.50 47.99 11.89 14.89 2 0 15.88 -999 ? CH3 ACT A 156 >GLN~C 78 41.98 13.82 14.38 41.28 11.84 14.69 41.63 12.83 14.54 2 0 11.83 -999 ? CH3 ACT A 156 >LEU~C 79 45.87 16.70 10.76 45.20 18.70 11.22 45.54 17.70 10.99 3 0 15.52 -999 ? CA CA A 154 >LYS~C 80 47.39 12.68 9.22 51.39 10.20 6.90 49.39 11.44 8.06 2 0 24.13 -999 ? CH3 ACT A 156 >GLN~C 81 42.57 8.92 10.56 41.60 8.29 12.38 42.09 8.60 11.47 2 0 15.37 -999 ? CH3 ACT A 156 >ALA~C 82 42.30 12.51 7.66 41.74 13.83 8.25 42.02 13.17 7.95 2 0 16.83 -999 ? OXT ACT A 156 >CYH~C 83 44.60 13.53 4.82 46.42 15.36 5.80 45.51 14.44 5.31 2 0 19.59 -999 ? CA CA A 154 >GLY~C 84 47.15 10.66 4.45 47.38 11.39 4.79 47.26 11.03 4.62 1 0 23.45 -999 ? CH3 ACT A 156 >GLU~C 85 50.89 11.46 1.83 52.03 10.15 3.05 51.46 10.81 2.44 2 0 27.39 -999 ? CH3 ACT A 156 >LEU~C 86 51.39 15.90 7.37 50.57 15.31 9.31 50.98 15.60 8.34 3 0 21.44 -999 ? CA CA A 154 >SER~C 87 52.40 17.53 3.04 52.80 15.59 1.71 52.60 16.56 2.37 2 0 25.51 -999 ? CA CA A 154 >ARG~C 88 47.59 14.30 0.68 47.59 11.39 -0.38 47.59 12.85 0.15 2 0 26.14 -999 ? CA CA A 154 >ILE~C 89 48.27 20.37 5.77 47.79 20.26 7.10 48.03 20.32 6.43 3 0 17.40 -999 ? CA CA A 154 >LYS.C 90 48.53 23.99 2.80 45.47 25.44 -2.55 47.00 24.71 0.13 2 0 20.41 -999 ? CA CA A 154 >GLN^C 91 46.91 27.58 5.55 46.46 29.69 5.74 46.69 28.64 5.65 2 0 14.41 -999 ? CA CA A 154 >ILE^C 92 48.38 24.43 10.96 47.71 23.19 11.33 48.05 23.81 11.15 3 0 14.13 -999 ? CA CA A 154 >TYR^C 93 43.37 28.24 8.87 40.81 27.14 8.83 42.09 27.69 8.85 3 0 9.10 -999 ? CA CA A 154 >ARG^C 94 42.12 30.29 14.70 40.82 32.93 15.53 41.47 31.61 15.12 2 0 6.94 -999 ? CA CA A 154 >LEU^C 95 46.36 26.75 17.40 47.25 25.77 19.17 46.80 26.26 18.28 3 0 8.26 -999 ? OXT ACT C 155 >GLU^C 96 40.70 27.78 17.93 38.75 28.11 17.21 39.73 27.94 17.57 2 0 4.20 -999 ? CA CA A 154 >GLY^C 97 43.23 25.59 23.04 42.70 26.20 23.10 42.97 25.90 23.07 1 0 8.46 -999 ? OXT ACT C 155 >VAL^C 98 41.52 25.18 26.41 39.35 24.80 26.53 40.43 24.99 26.47 3 0 10.32 -999 ? CH3 ACT A 156 >LEU^C 99 44.61 25.59 29.93 46.42 25.64 28.67 45.51 25.62 29.30 3 0 9.68 -999 ? O ACT C 155 >ASN.C 100 41.79 23.01 33.97 40.91 23.18 35.89 41.35 23.10 34.93 2 0 13.36 -999 ? NA NA C 154 >VAL.C 101 44.05 27.08 35.17 45.13 28.41 33.84 44.59 27.74 34.51 3 0 12.21 -999 ? O ACT C 155 >HIS.C 102 44.94 27.82 41.21 44.58 28.40 43.19 44.76 28.11 42.20 3 0 12.74 -999 ? NA NA C 154 >SER.C 104 47.03 32.22 40.92 47.84 30.02 41.53 47.44 31.12 41.22 2 0 12.78 -999 ? NA NA C 154 >CYH.C 105 48.40 31.60 37.40 49.58 29.70 35.71 48.99 30.65 36.56 2 0 11.58 -999 ? CH3 ACT C 156 >ILE.C 106 47.66 35.27 34.27 47.57 36.60 34.84 47.61 35.94 34.55 3 0 10.58 -999 ? O ACT C 155 >GLU~C 107 52.74 32.67 34.07 53.15 34.52 33.14 52.94 33.59 33.61 2 0 10.02 -999 ? CH3 ACT B 156 >HIS~C 108 46.22 30.74 30.50 45.02 32.46 30.60 45.62 31.60 30.55 3 0 6.94 -999 ? O ACT C 155 >PRO~C 109 48.70 33.61 27.93 49.42 31.49 27.79 49.06 32.55 27.86 3 0 -3.98 -999 ? O ACT C 155s >LYS~C 110 53.13 30.12 27.76 55.36 32.37 32.16 54.25 31.25 29.96 2 0 7.54 -999 ? CH3 ACT C 156 >ALA~C 111 51.63 26.67 28.26 50.62 26.24 29.31 51.13 26.45 28.78 2 0 7.95 -999 ? CH3 ACT C 156 >LEU~C 112 48.52 27.83 24.67 46.89 27.18 23.36 47.71 27.51 24.01 3 0 6.07 -999 ? O ACT C 155 >ASP~C 113 54.16 28.77 23.72 53.75 30.80 23.27 53.96 29.79 23.49 2 0 -4.30 -999 ? OXT ACT B 156s >GLY~C 114 53.69 24.11 23.61 53.20 24.55 23.10 53.44 24.33 23.36 1 0 7.41 -999 ? O ACT C 156 >ALA~C 115 51.09 23.70 20.85 49.57 23.95 21.03 50.33 23.83 20.94 2 0 10.02 -999 ? OXT ACT C 155 >SER~C 116 52.18 26.72 18.78 50.80 28.59 19.40 51.49 27.65 19.09 2 0 7.14 -999 ? OXT ACT C 155 >ASP~C 117 56.72 25.70 20.18 57.17 27.59 21.06 56.94 26.65 20.62 2 0 6.85 -999 ? OXT ACT B 156 >LEU~C 118 54.47 21.13 18.44 54.69 18.96 18.24 54.58 20.04 18.34 3 0 11.88 -999 ? O ACT C 156 >LEU~C 119 51.93 24.39 14.87 49.91 23.69 15.23 50.92 24.04 15.05 3 0 12.73 -999 ? OXT ACT C 155 >LEU~C 120 56.46 26.94 14.36 55.55 28.91 14.34 56.01 27.92 14.35 3 0 10.45 -999 ? O ACT B 156 >GLU~C 121 59.89 21.27 15.71 59.89 20.37 17.63 59.89 20.82 16.67 2 0 11.08 -999 ? O ACT C 156 >ILE~C 122 55.63 19.47 12.98 56.34 18.27 13.13 55.98 18.87 13.06 3 0 16.31 -999 ? O ACT C 156 >PHE~C 123 52.67 21.52 9.93 51.14 19.26 10.42 51.90 20.39 10.17 3 0 18.69 -999 ? OXT ACT C 155 >GLY~C 124 57.43 25.25 9.14 56.60 25.28 9.27 57.02 25.27 9.20 1 0 16.11 -999 ? O ACT B 156 >GLU~C 125 57.80 29.61 6.30 57.90 30.96 7.95 57.85 30.29 7.13 2 0 14.39 -999 ? O ACT B 156 >ALA~C 126 52.80 26.13 6.80 52.77 24.76 6.09 52.78 25.44 6.45 2 0 19.18 -999 ? O ACT B 156 >GLY~C 127 52.40 26.04 10.61 52.53 26.76 10.27 52.47 26.40 10.44 1 0 15.03 -999 ? O ACT B 156 >HIS.C 129 49.24 28.76 14.71 50.53 28.45 16.33 49.89 28.61 15.52 3 0 9.10 -999 ? OXT ACT C 155 >SER^C 130 46.32 32.52 14.55 44.09 32.55 13.44 45.20 32.53 14.00 2 0 9.38 -999 ? OXT ACT C 155 >ARG^C 131 47.83 30.54 20.51 49.92 30.91 22.73 48.88 30.72 21.62 2 0 -3.76 -999 ? O ACT C 155s >MET?C 132 42.34 31.33 20.54 38.44 31.24 18.69 40.39 31.28 19.62 2 0 5.54 -999 ? CA CA A 154 >ILE^C 133 44.21 31.01 24.77 45.05 31.44 25.84 44.63 31.23 25.30 3 0 -3.99 -999 ? C ACT C 155s >TRP^C 134 37.44 30.58 25.19 38.15 28.52 21.94 37.79 29.55 23.56 3 0 9.09 -999 ? CA CA A 154 >THR^C 135 40.33 28.60 30.50 41.28 30.18 31.67 40.81 29.39 31.08 2 0 10.40 -999 ? O ACT C 155 >ASN.C 136 36.96 25.32 30.74 36.27 26.07 28.84 36.61 25.69 29.79 2 0 10.95 -999 ? CH3 ACT A 156 >PRO.C 137 34.65 26.17 35.03 36.72 25.52 34.58 35.68 25.84 34.81 3 0 14.43 -999 ? CH3 ACT A 156 >VAL.C 138 35.90 21.64 34.40 34.10 20.83 35.43 35.00 21.23 34.92 3 0 11.98 -999 ? CH3 ACT A 156 >MET?C 139 37.44 19.56 31.67 39.29 22.11 30.22 38.36 20.84 30.94 2 0 9.32 -999 ? CH3 ACT A 156 >PRO.C 140 36.29 17.52 27.99 36.65 16.97 30.12 36.47 17.25 29.05 3 0 5.21 -999 ? CH3 ACT A 156 >LEU.C 141 39.20 12.77 30.65 38.44 11.22 29.34 38.82 11.99 29.99 3 0 8.04 -999 ? CH3 ACT A 156 >ASN.C 142 40.11 15.44 35.45 41.01 16.73 36.91 40.56 16.08 36.18 2 0 12.07 -999 ? NA NA C 154 >SER.C 143 42.37 16.77 31.34 43.32 16.95 29.10 42.84 16.86 30.22 2 0 9.33 -999 ? CH3 ACT A 156 >LEU.C 144 46.23 19.58 32.12 47.57 21.16 32.77 46.90 20.37 32.45 3 0 9.82 -999 ? NA NA C 154 >CYH^C 145 44.17 20.77 28.31 46.58 19.96 27.17 45.37 20.36 27.74 2 0 12.09 -999 ? CH3 ACT A 156 >LEU^C 146 40.84 20.39 25.15 39.38 18.86 25.04 40.11 19.63 25.10 3 0 5.80 -999 ? CH3 ACT A 156 >VAL^C 147 43.64 21.30 21.61 45.80 21.39 21.15 44.72 21.35 21.38 3 0 10.85 -999 ? CH3 ACT A 156 >TYR^C 148 39.45 22.09 19.49 37.63 21.23 21.43 38.54 21.66 20.46 3 0 7.15 -999 ? CH3 ACT A 156 >LEU^C 149 44.64 21.50 14.53 46.55 21.48 15.54 45.60 21.49 15.03 3 0 12.57 -999 ? CA CA A 154 >PHE^C 150 40.33 25.21 12.84 38.47 25.36 14.92 39.40 25.28 13.88 3 0 5.42 -999 ? CA CA A 154 >ALA^C 151 43.87 23.10 8.39 44.41 21.68 8.33 44.14 22.39 8.36 2 0 13.22 -999 ? CA CA A 154 >GLU^C 152 43.44 25.95 2.99 44.28 27.67 2.12 43.86 26.81 2.56 2 0 15.59 -999 ? CA CA A 154 >LEU.C 153 42.91 20.24 2.16 42.99 18.65 3.62 42.95 19.45 2.89 3 0 16.95 -999 ? CA CA A 154