REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 18-SEP-08 3EJV COMPND UNCHARACTERIZED PROTEIN WITH CYSTATIN-LIKE FOLD; 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_498036.1, SARO_2766; 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 3 8 HET MSE A 28 13 HET MSE A 67 8 HET MSE A 68 13 HET MSE A 100 8 HET MSE A 149 13 HET MSE A 157 8 HET UNL A 200 9 HET EDO A 201 4 HET EDO A 202 4 HET EDO A 203 8 HET EDO A 204 4 HET PGE A 205 10 SITE 1 AC1 8 TYR A 16 HIS A 20 MSE A 28 MSE A 68 SITE 1 AC2 5 ALA A 121 GLY A 123 PRO A 127 ILE A 128 SITE 1 AC3 4 MSE A 67 GLU A 129 HIS A 153 UNL A 200 SITE 1 AC4 7 ARG A 134 LEU A 135 THR A 136 ALA A 148 SITE 1 AC5 6 ARG A 65 HIS A 92 ARG A 138 SER A 147 SITE 1 AC6 6 SER A 52 THR A 116 PHE A 159 HOH A 325 >THR.A 2 23.67 23.92 48.49 23.57 21.78 48.70 23.62 22.85 48.60 2 0 20.76 -999 ? C1 EDO A 204 >MET?A 3 20.27 25.59 48.93 20.02 29.24 46.79 20.14 27.41 47.86 2 0 22.47 -999 ? O1 EDO A 204 >ALA~A 4 16.93 24.02 50.01 15.86 24.67 50.80 16.39 24.35 50.41 2 0 20.07 -999 ? O1 EDO A 204 >ASP~A 5 14.85 20.40 47.49 16.40 18.95 47.44 15.62 19.67 47.46 2 0 14.57 -999 ? O1 EDO A 204 >GLU~A 6 10.70 23.22 49.33 11.78 22.52 51.01 11.24 22.87 50.17 2 0 17.93 -999 ? O1 AEDO A 203 >THR~A 7 14.28 27.10 46.58 15.43 28.46 47.80 14.85 27.78 47.19 2 0 20.17 -999 ? O1 AEDO A 203 >ILE~A 8 17.01 24.09 43.85 18.31 24.65 43.60 17.66 24.37 43.73 3 0 16.27 -999 ? O1 EDO A 204 >ILE~A 9 11.73 23.24 43.04 11.01 22.08 43.22 11.37 22.66 43.13 3 0 11.97 -999 ? O1 AEDO A 203 >LEU~A 10 10.85 28.50 43.93 8.91 28.27 44.90 9.88 28.39 44.41 3 0 15.21 -999 ? O1 AEDO A 203 >ASN~A 11 15.84 28.81 41.35 16.53 29.93 43.02 16.19 29.37 42.19 2 0 18.33 -999 ? O3 UNL A 200 >VAL~A 12 13.58 26.78 37.97 13.73 24.63 37.48 13.66 25.71 37.73 3 0 12.89 -999 ? O3 UNL A 200 >LEU~A 13 9.02 28.27 38.91 6.88 28.54 38.56 7.95 28.41 38.74 3 0 10.18 -999 ? O3 UNL A 200 >GLY~A 14 11.65 31.81 37.90 11.84 31.17 37.42 11.75 31.49 37.66 1 0 11.60 -999 ? O3 UNL A 200 >GLN~A 15 16.23 29.98 36.23 17.47 28.24 36.38 16.85 29.11 36.30 2 0 14.53 -999 ? O9 UNL A 200 >TYR~A 16 8.89 28.31 32.68 6.89 27.62 30.87 7.89 27.97 31.78 3 0 -4.32 -999 ? O3 UNL A 200s >THR~A 17 9.30 32.98 33.38 8.53 33.42 35.38 8.91 33.20 34.38 2 0 8.62 -999 ? O3 UNL A 200 >ARG~A 18 13.32 36.34 34.93 12.67 36.14 37.99 12.99 36.24 36.46 2 0 13.96 -999 ? O3 UNL A 200 >ALA~A 19 12.89 32.69 29.31 13.25 31.20 29.31 13.07 31.95 29.31 2 0 8.03 -999 ? O9 UNL A 200 >HIS~A 20 6.68 33.04 29.07 4.74 33.62 28.52 5.71 33.33 28.79 3 0 -4.52 -999 ? O3 UNL A 200s >ASP~A 21 9.16 37.61 29.89 7.43 37.18 31.00 8.29 37.40 30.44 2 0 8.89 -999 ? O3 UNL A 200 >ARG~A 22 15.57 36.65 29.11 18.07 36.98 27.34 16.82 36.82 28.22 2 0 14.86 -999 ? O8 UNL A 200 >ARG~A 23 8.11 35.13 23.51 5.80 36.73 24.82 6.95 35.93 24.17 2 0 7.63 -999 ? O1 EDO A 202 >ASP~A 24 15.42 33.17 25.62 17.37 32.43 25.43 16.40 32.80 25.52 2 0 11.64 -999 ? O8 UNL A 200 >PRO~A 25 14.84 29.94 21.08 14.17 29.88 23.22 14.51 29.91 22.15 3 0 8.93 -999 ? O8 UNL A 200 >ASP~A 26 18.75 28.39 23.68 18.79 28.04 21.60 18.77 28.21 22.64 2 0 12.62 -999 ? O8 UNL A 200 >ALA~A 27 17.13 29.22 27.85 17.00 30.69 28.29 17.06 29.96 28.07 2 0 10.76 -999 ? O8 UNL A 200 >MET?A 28 13.66 27.65 28.00 9.60 27.64 27.01 11.63 27.64 27.50 2 0 -2.70 -999 ? O8 UNL A 200s >ALA~A 29 14.74 24.27 26.61 15.23 24.00 25.18 14.99 24.13 25.89 2 0 8.73 -999 ? O8 UNL A 200 >ALA~A 30 17.71 24.03 29.00 18.75 25.13 29.16 18.23 24.58 29.08 2 0 12.16 -999 ? O8 UNL A 200 >LEU.A 31 14.20 24.84 32.26 14.61 26.82 32.98 14.41 25.83 32.62 3 0 9.79 -999 ? O8 UNL A 200 >PHE^A 32 11.70 21.51 29.62 9.54 23.18 30.07 10.62 22.34 29.85 3 0 6.88 -999 ? O8 UNL A 200 >ALA^A 33 15.06 16.94 30.49 14.41 15.76 31.18 14.73 16.35 30.84 2 0 6.85 -999 ? C1 EDO A 204 >PRO^A 34 18.02 15.38 27.65 15.91 16.10 27.60 16.96 15.74 27.62 3 0 10.58 -999 ? C2 EDO A 204 >GLU^A 35 12.97 12.09 28.30 14.87 12.37 29.37 13.92 12.23 28.83 2 0 6.80 -999 ? C2 EDO A 204 >ALA^A 36 10.31 16.05 28.46 10.69 17.22 29.32 10.50 16.64 28.89 2 0 8.37 -999 ? C1 EDO A 204 >THR^A 37 6.84 16.87 27.22 5.98 14.95 27.24 6.41 15.91 27.23 2 0 6.83 -999 ? O2 AEDO A 203 >ILE^A 38 5.09 21.37 27.28 5.53 22.75 27.67 5.31 22.06 27.48 3 0 5.41 -999 ? O8 UNL A 200 >GLU^A 39 -1.20 17.93 27.99 -2.19 16.75 29.45 -1.69 17.34 28.72 2 0 5.33 -999 ? O2 BEDO A 203 >ILE^A 40 -0.42 23.60 25.72 0.33 24.85 25.40 -0.05 24.22 25.56 3 0 4.24 -999 ? O2 EDO A 202 >VAL^A 41 -4.63 22.26 27.63 -4.86 20.61 29.08 -4.74 21.44 28.35 3 0 9.08 -999 ? O2 EDO A 202 >ASP^A 42 -8.82 24.24 26.20 -10.73 25.08 26.58 -9.78 24.66 26.39 2 0 11.82 -999 ? C2 EDO A 202 >ALA.A 43 -9.24 24.26 30.95 -8.23 24.35 32.12 -8.74 24.31 31.53 2 0 11.47 -999 ? O2 EDO A 202 >VAL~A 44 -12.16 26.69 30.43 -12.68 28.32 29.09 -12.42 27.50 29.76 3 0 12.32 -999 ? C1 EDO A 201 >GLY~A 45 -15.03 25.38 32.57 -14.27 25.13 32.58 -14.65 25.25 32.58 1 0 15.96 -999 ? C1 EDO A 201 >GLY~A 46 -12.71 22.69 33.99 -12.92 22.74 33.20 -12.82 22.72 33.59 1 0 14.70 -999 ? O2 BEDO A 203 >ALA~A 47 -12.30 21.00 30.61 -12.64 21.62 29.27 -12.47 21.31 29.94 2 0 14.97 -999 ? O2 BEDO A 203 >SER.A 48 -9.10 19.25 29.62 -7.39 17.78 30.41 -8.25 18.52 30.02 2 0 8.88 -999 ? O2 BEDO A 203 >SER^A 50 -5.69 19.38 24.16 -3.87 18.30 23.00 -4.78 18.84 23.58 2 0 11.32 -999 ? C2 EDO A 202 >ILE^A 51 -3.99 23.87 23.26 -4.25 25.24 23.58 -4.12 24.56 23.42 3 0 6.23 -999 ? C2 EDO A 202 >SER^A 52 -0.76 21.23 21.77 -0.35 23.16 20.34 -0.56 22.19 21.05 2 0 -7.08 -999 ? C2 EDO A 202s >LEU^A 54 5.66 20.79 23.17 4.92 22.70 22.39 5.29 21.75 22.78 3 0 5.61 -999 ? O7 UNL A 200 >GLU^A 55 5.57 14.73 22.48 4.88 12.97 21.56 5.22 13.85 22.01 2 0 12.00 -999 ? O2 AEDO A 203 >GLY~A 56 11.17 17.09 23.47 10.66 17.71 23.46 10.92 17.40 23.46 1 0 10.79 -999 ? O7 UNL A 200 >ARG~A 57 16.64 19.95 25.64 18.84 19.15 27.56 17.74 19.55 26.60 2 0 13.42 -999 ? C1 EDO A 204 >ASP~A 58 13.71 20.12 18.65 15.82 20.04 18.46 14.76 20.08 18.55 2 0 13.11 -999 ? O7 UNL A 200 >ALA~A 59 9.47 21.07 19.89 8.54 19.91 20.20 9.00 20.49 20.04 2 0 8.55 -999 ? O7 UNL A 200 >ILE~A 60 10.22 22.99 24.31 10.17 22.72 25.71 10.19 22.85 25.01 3 0 5.31 -999 ? O7 UNL A 200 >ARG~A 61 15.89 24.82 20.87 17.55 22.66 22.28 16.72 23.74 21.58 2 0 11.98 -999 ? O7 UNL A 200 >VAL~A 62 9.92 26.02 18.10 9.68 24.95 16.25 9.80 25.49 17.18 3 0 8.48 -999 ? O7 UNL A 200 >ALA~A 63 6.79 26.66 20.19 6.17 25.68 21.17 6.48 26.17 20.68 2 0 3.74 -999 ? O6 UNL A 200 >VAL~A 64 8.45 29.59 22.00 10.07 29.95 23.45 9.26 29.77 22.72 3 0 4.58 -999 ? O7 UNL A 200 >ARG~A 65 9.55 33.40 16.59 9.91 36.17 15.33 9.73 34.78 15.96 2 0 -13.61 -999 ? O6 UNL A 200s >GLN~A 66 6.69 28.81 15.02 7.04 27.18 13.67 6.86 28.00 14.34 2 0 10.95 -999 ? O6 UNL A 200 >MET?A 67 2.81 29.70 19.83 2.21 25.74 21.23 2.51 27.72 20.53 2 0 -4.75 -999 ? O6 UNL A 200s >MET?A 68 3.36 33.13 21.46 6.49 31.80 24.45 4.93 32.46 22.96 2 0 -4.58 -999 ? O5 UNL A 200s >ALA~A 69 3.41 36.57 19.77 2.48 37.76 20.05 2.95 37.16 19.91 2 0 8.66 -999 ? O1 EDO A 202 >PRO~A 70 6.85 36.75 17.07 6.29 37.52 19.09 6.57 37.13 18.08 3 0 11.04 -999 ? C1 EDO A 202 >HIS~A 71 8.36 40.63 23.23 7.70 39.69 24.97 8.03 40.16 24.10 3 0 11.74 -999 ? O1 EDO A 202 >GLY~A 72 7.85 44.23 18.68 8.13 43.94 19.47 7.99 44.08 19.08 1 0 16.36 -999 ? O1 EDO A 202 >TYR~A 73 12.75 44.28 19.77 13.37 41.79 20.80 13.06 43.04 20.29 3 0 17.90 -999 ? O1 EDO A 202 >ARG~A 74 8.60 51.48 20.50 5.54 51.69 20.18 7.07 51.58 20.34 2 0 13.41 -999 ? O4 PGE A 205 >ALA^A 75 7.21 45.39 23.68 6.39 44.64 22.61 6.80 45.01 23.15 2 0 14.19 -999 ? O2 EDO A 201 >TRP^A 76 9.59 42.47 29.63 12.44 41.02 27.39 11.02 41.75 28.51 3 0 14.32 -999 ? O3 UNL A 200 >SER^A 77 5.70 40.71 28.81 6.25 38.46 27.90 5.97 39.58 28.35 2 0 9.64 -999 ? O1 EDO A 202 >GLN^A 78 6.01 40.15 34.83 6.36 41.72 36.25 6.19 40.93 35.54 2 0 14.72 -999 ? O3 UNL A 200 >ASN^A 79 5.28 34.84 32.72 4.22 33.02 32.89 4.75 33.93 32.81 2 0 5.55 -999 ? O3 UNL A 200 >VAL^A 80 3.29 36.52 36.92 2.43 38.39 37.73 2.86 37.46 37.32 3 0 11.94 -999 ? O3 UNL A 200 >VAL^A 81 3.52 33.07 38.49 5.30 32.04 37.75 4.41 32.56 38.12 3 0 9.68 -999 ? O3 UNL A 200 >ASN^A 82 1.10 34.24 41.94 -0.77 33.96 40.89 0.16 34.10 41.42 2 0 13.88 -999 ? O3 UNL A 200 >ALA^A 83 0.52 30.85 44.76 -0.99 30.93 44.52 -0.24 30.89 44.64 2 0 16.28 -999 ? O1 AEDO A 203 >PRO^A 84 4.64 29.31 45.23 2.66 28.58 44.44 3.65 28.94 44.84 3 0 14.32 -999 ? O1 AEDO A 203 >ILE^A 85 0.76 23.90 45.83 -0.52 23.54 46.28 0.12 23.72 46.05 3 0 12.05 -999 ? O1 AEDO A 203 >ILE^A 86 6.50 22.84 46.13 7.85 23.02 46.45 7.18 22.93 46.29 3 0 12.19 -999 ? O1 AEDO A 203 >VAL^A 87 5.27 18.51 47.14 3.43 17.42 47.59 4.35 17.96 47.36 3 0 11.34 -999 ? O1 AEDO A 203 >ILE^A 88 9.94 17.51 47.72 11.13 18.26 47.65 10.53 17.88 47.68 3 0 12.77 -999 ? O1 EDO A 204 >GLU~A 89 6.36 12.64 47.90 4.68 11.40 47.49 5.52 12.02 47.69 2 0 12.39 -999 ? O1 EDO A 204 >GLY~A 90 12.48 11.88 47.38 12.16 12.56 47.03 12.32 12.22 47.21 1 0 11.36 -999 ? O1 EDO A 204 >ASP~A 91 15.21 11.88 43.57 16.77 11.71 45.03 15.99 11.79 44.30 2 0 11.04 -999 ? C1 EDO A 204 >HIS^A 92 10.33 12.05 40.55 11.16 10.99 38.93 10.75 11.52 39.74 3 0 -3.57 -999 ? O1 EDO A 204s >ALA^A 93 8.65 16.86 42.97 9.51 18.08 43.29 9.08 17.47 43.13 2 0 9.20 -999 ? O1 EDO A 204 >VAL^A 94 5.40 18.37 41.75 3.65 17.22 41.08 4.52 17.80 41.42 3 0 5.50 -999 ? O1 AEDO A 203 >LEU^A 95 6.12 22.94 41.17 6.54 25.04 41.53 6.33 23.99 41.35 3 0 8.87 -999 ? O1 AEDO A 203 >ASP^A 96 0.24 23.18 41.34 -1.40 23.73 40.07 -0.58 23.46 40.71 2 0 8.57 -999 ? O1 AEDO A 203 >ALA^A 97 1.49 27.54 40.21 2.83 28.16 39.81 2.16 27.85 40.01 2 0 10.86 -999 ? O3 UNL A 200 >GLN^A 98 -2.95 30.01 40.88 -3.96 31.03 42.48 -3.45 30.52 41.68 2 0 16.00 -999 ? O3 UNL A 200 >PHE^A 99 0.14 31.02 33.96 -1.24 30.10 31.73 -0.55 30.56 32.84 3 0 6.48 -999 ? O1 UNL A 200 >MET?A 100 -1.11 35.40 34.58 -3.90 38.42 35.88 -2.50 36.91 35.23 2 0 8.35 -999 ? O1 EDO A 201 >VAL^A 101 0.69 36.89 31.58 1.74 35.80 29.99 1.21 36.34 30.78 3 0 7.72 -999 ? O1 EDO A 202 >PHE^A 102 0.04 41.44 33.31 -1.61 41.14 35.52 -0.78 41.29 34.42 3 0 9.01 -999 ? O1 EDO A 201 >SER^A 103 1.64 42.35 27.73 -0.40 43.27 26.76 0.62 42.81 27.24 2 0 7.24 -999 ? O2 EDO A 201 >ILE^A 104 5.10 45.30 29.04 5.87 45.35 30.18 5.48 45.32 29.61 3 0 13.78 -999 ? O2 EDO A 201 >LEU^A 105 2.87 48.23 24.43 3.30 48.63 22.30 3.09 48.43 23.37 3 0 13.47 -999 ? O2 EDO A 201 >ALA^A 106 6.38 50.96 26.01 7.90 50.79 26.16 7.14 50.88 26.09 2 0 15.14 -999 ? O4 PGE A 205 >ALA~A 107 5.45 54.32 24.47 4.82 55.51 25.20 5.14 54.91 24.84 2 0 9.59 -999 ? O4 PGE A 205 >GLU~A 108 7.72 54.91 19.86 7.42 55.37 17.80 7.57 55.14 18.83 2 0 11.57 -999 ? O4 PGE A 205 >VAL~A 109 10.07 58.54 23.95 11.56 58.34 25.54 10.81 58.44 24.75 3 0 10.62 -999 ? O4 PGE A 205 >PRO~A 110 7.66 62.17 23.59 9.50 61.31 22.59 8.58 61.74 23.09 3 0 6.87 -999 ? O4 PGE A 205 >ASP~A 111 13.07 63.58 19.19 13.37 61.75 18.18 13.22 62.66 18.69 2 0 12.32 -999 ? O4 PGE A 205 >GLY~A 112 11.71 66.72 22.18 11.61 66.02 22.55 11.66 66.37 22.36 1 0 9.74 -999 ? O4 PGE A 205 >GLY~A 113 11.14 65.12 25.56 10.52 65.19 25.03 10.83 65.16 25.30 1 0 9.32 -999 ? O4 PGE A 205 >TRP~A 114 9.31 61.68 29.28 7.10 59.44 26.93 8.20 60.56 28.10 3 0 8.85 -999 ? O4 PGE A 205 >PRO~A 115 4.44 66.42 25.76 5.97 66.87 27.36 5.21 66.65 26.56 3 0 4.64 -999 ? C2 PGE A 205 >THR~A 116 5.29 69.48 30.72 5.76 71.48 31.35 5.53 70.48 31.03 2 0 -7.40 -999 ? C1 PGE A 205s >GLY~A 117 2.77 67.67 32.96 3.30 67.24 32.55 3.03 67.45 32.75 1 0 4.89 -999 ? C1 PGE A 205 >THR~A 118 3.63 64.14 31.85 4.08 63.40 29.81 3.86 63.77 30.83 2 0 4.87 -999 ? O1 PGE A 205 >PHE~A 119 3.80 63.75 36.56 4.37 66.34 37.38 4.08 65.05 36.97 3 0 8.96 -999 ? O1 PGE A 205 >GLY~A 120 4.69 58.17 35.49 4.94 58.51 34.80 4.82 58.34 35.15 1 0 11.02 -999 ? O1 PGE A 205 >ALA~A 121 5.03 55.24 33.16 4.74 53.78 33.54 4.89 54.51 33.35 2 0 -13.66 -999 ? O1 PGE A 205s >GLN~A 122 5.14 58.17 29.65 3.32 59.12 30.22 4.23 58.65 29.94 2 0 7.55 -999 ? O1 PGE A 205 >GLY^A 123 2.65 52.88 27.71 2.16 53.13 28.35 2.40 53.01 28.03 1 0 -12.55 -999 ? O4 PGE A 205s >ILE^A 125 0.66 47.04 31.91 1.64 46.89 32.90 1.15 46.97 32.40 3 0 11.75 -999 ? O1 EDO A 201 >VAL^A 126 -2.72 44.46 29.82 -3.96 44.98 28.09 -3.34 44.72 28.95 3 0 6.29 -999 ? O1 EDO A 201 >PRO^A 127 -5.32 42.00 32.44 -3.48 41.74 31.17 -4.40 41.87 31.81 3 0 -4.90 -999 ? O1 EDO A 201s >ILE^A 128 -2.89 38.98 27.17 -1.81 39.56 26.50 -2.35 39.27 26.84 3 0 -3.96 -999 ? O2 EDO A 201s >GLU^A 129 -1.84 34.32 27.66 -0.05 33.11 27.26 -0.95 33.72 27.46 2 0 -3.03 -999 ? O1 EDO A 202s >ALA^A 130 -4.39 33.22 32.84 -5.48 34.00 33.60 -4.94 33.61 33.22 2 0 7.79 -999 ? C1 EDO A 201 >GLY^A 131 -4.32 29.67 34.12 -3.74 30.09 34.55 -4.03 29.88 34.34 1 0 9.52 -999 ? O2 EDO A 202 >GLN^A 132 -3.73 26.91 37.99 -5.03 25.58 39.02 -4.38 26.24 38.51 2 0 11.76 -999 ? O1 AEDO A 203 >TYR^A 133 2.65 27.24 34.49 3.13 29.18 32.53 2.89 28.21 33.51 3 0 -4.77 -999 ? O3 UNL A 200s >ARG^A 134 -0.07 19.01 38.38 -2.53 19.12 40.16 -1.30 19.06 39.27 2 0 -7.10 -999 ? O1 AEDO A 203s >LEU^A 135 6.59 21.87 36.97 6.75 23.98 36.38 6.67 22.92 36.68 3 0 -5.99 -999 ? O1 BEDO A 203s >THR^A 136 6.98 17.48 37.46 6.17 15.53 37.31 6.57 16.51 37.39 2 0 -3.90 -999 ? O1 AEDO A 203s >LEU^A 137 11.09 19.07 39.13 10.31 21.14 39.13 10.70 20.10 39.13 3 0 8.42 -999 ? O1 BEDO A 203 >ARG^A 138 14.15 12.98 35.98 14.48 12.73 32.89 14.32 12.85 34.43 2 0 -4.43 -999 ? C1 EDO A 204s >THR^A 139 16.88 15.60 40.45 16.97 14.46 42.26 16.93 15.03 41.35 2 0 9.34 -999 ? C1 EDO A 204 >VAL^A 140 20.03 15.97 38.44 19.42 17.42 36.89 19.73 16.69 37.67 3 0 10.21 -999 ? C1 EDO A 204 >ALA~A 141 23.58 16.18 39.81 24.88 15.94 39.02 24.23 16.06 39.42 2 0 14.84 -999 ? C1 EDO A 204 >ASP~A 142 24.13 20.81 39.10 26.07 20.13 38.53 25.10 20.47 38.81 2 0 17.46 -999 ? C1 EDO A 204 >GLY^A 143 19.82 20.57 41.04 19.86 19.85 40.64 19.84 20.21 40.84 1 0 13.62 -999 ? C1 EDO A 204 >TRP^A 144 16.10 20.35 42.81 13.69 17.35 43.56 14.90 18.85 43.18 3 0 10.82 -999 ? O1 EDO A 204 >VAL^A 145 15.11 19.59 35.90 15.66 18.18 34.32 15.38 18.88 35.11 3 0 8.42 -999 ? C1 EDO A 204 >ILE^A 146 10.87 20.85 33.79 10.00 21.97 33.67 10.43 21.41 33.73 3 0 7.77 -999 ? O1 BEDO A 203 >SER^A 147 10.58 16.16 33.37 9.81 14.98 35.33 10.20 15.57 34.35 2 0 -3.05 -999 ? O1 EDO A 204s >ALA^A 148 6.97 17.00 32.41 6.07 15.83 32.79 6.52 16.42 32.60 2 0 -3.88 -999 ? C2 AEDO A 203s >MET?A 149 4.79 20.13 32.31 4.40 23.51 33.43 4.60 21.82 32.87 2 0 -5.80 -999 ? O1 BEDO A 203s >ARG^A 150 -2.38 19.43 33.01 -3.35 18.85 35.88 -2.87 19.14 34.45 2 0 -5.00 -999 ? O2 BEDO A 203s >ILE^A 151 0.49 25.11 29.87 1.41 26.19 29.42 0.95 25.65 29.65 3 0 -4.42 -999 ? O1 UNL A 200s >GLU^A 152 -4.60 22.89 33.09 -5.52 22.17 34.85 -5.06 22.53 33.97 2 0 8.36 -999 ? O2 BEDO A 203 >HIS^A 153 -3.90 28.60 28.16 -1.98 29.29 27.68 -2.94 28.95 27.92 3 0 -4.08 -999 ? O2 EDO A 202s >ARG~A 154 -9.65 28.02 34.08 -10.75 25.66 35.72 -10.20 26.84 34.90 2 0 14.68 -999 ? O2 BEDO A 203 >LEU~A 155 -8.86 33.02 28.10 -8.64 34.59 29.62 -8.75 33.81 28.86 3 0 -5.13 -999 ? C1 EDO A 201s >PRO~A 156 -11.82 31.24 24.73 -9.85 30.48 25.42 -10.83 30.86 25.08 3 0 8.82 -999 ? C2 EDO A 201 >MET?A 157 -6.58 30.53 22.67 -4.86 31.71 25.33 -5.72 31.12 24.00 2 0 5.64 -999 ? O1 EDO A 202 >ALA~A 158 -6.70 31.44 18.98 -7.61 32.60 18.53 -7.15 32.02 18.76 2 0 9.90 -999 ? O2 EDO A 201 >PHE~A 159 -3.00 29.10 18.01 -2.43 28.58 20.68 -2.72 28.84 19.35 3 0 -6.13 -999 ? C1 EDO A 202s >GLY~A 160 -4.94 33.02 13.49 -5.40 32.38 13.58 -5.17 32.70 13.53 1 0 12.54 -999 ? C1 EDO A 202