REMARK SOURCE hebe.pdb HEADER ADENOSYL BINDING PROTEIN 22-DEC-09 3L5O COMPND UNCHARACTERIZED PROTEIN FROM DUF364 FAMILY; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; SOURCE 3 ORGANISM_TAXID: 272564; SOURCE 4 STRAIN: DCB-2 / DSM 10664; SOURCE 5 GENE: DHAF_4260; 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,JOINT CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 8 8 HET MSE A 48 8 HET MSE A 50 8 HET MSE A 115 8 HET MSE A 221 8 HET MSE B 1 8 HET MSE B 8 8 HET MSE B 48 8 HET MSE B 50 8 HET MSE B 115 5 HET MSE B 221 8 HET CL A 301 1 HET IMD A 303 5 HET IMD A 304 5 HET EDO A 307 4 HET EDO A 311 4 HET CL B 301 1 HET IMD B 302 5 HET IMD B 305 5 HET EDO B 306 4 HET EDO B 308 4 HET EDO B 309 4 HET EDO B 310 4 SITE 1 AC1 5 GLU A 148 TRP A 149 IMD A 303 HOH A 372 SITE 1 AC2 8 TRP A 149 LEU A 158 THR A 174 SER A 177 SITE 1 AC3 6 PRO A 40 ARG A 42 TYR A 72 ALA A 176 SITE 1 AC4 6 GLY A 200 SER A 218 GLY A 219 TYR A 241 SITE 1 AC5 5 ASP A 111 PRO A 112 LYS A 246 EDO A 307 SITE 1 AC6 5 GLU B 148 TRP B 149 IMD B 302 EDO B 310 SITE 1 AC7 8 VAL B 128 LEU B 158 ALA B 176 SER B 177 SITE 1 AC8 5 PRO B 40 ARG B 42 GLU B 45 TYR B 72 SITE 1 AC9 5 GLU B 20 ARG B 31 ASN B 225 ALA B 226 SITE 1 BC1 4 GLN B -1 PHE B -2 MSE B 1 TRP B 2 SITE 1 BC2 3 ASP B 15 GLY B 154 TYR B 156 SITE 1 BC3 4 GLY B 129 HIS B 130 THR B 174 CL B 301 >GLN.A -1 -1.46 32.69 49.90 -2.05 32.58 47.85 -1.75 32.63 48.88 2 0 18.20 -999 ? C4 IMD B 302 >GLY.A 0 -4.59 32.08 54.46 -3.73 32.39 54.50 -4.16 32.23 54.48 1 0 19.09 -999 ? N3 IMD A 303 >MET?A 1 -2.75 35.37 54.88 0.51 35.75 52.47 -1.12 35.56 53.68 2 0 13.81 -999 ? C4 IMD A 303 >TRP~A 2 -6.75 38.58 52.36 -5.05 42.08 52.83 -5.90 40.33 52.60 3 0 15.42 -999 ? N1 IMD A 304 >GLU~A 3 -6.83 33.07 57.94 -6.73 31.01 58.45 -6.78 32.04 58.20 2 0 20.99 -999 ? N3 IMD A 303 >ILE~A 4 -2.96 37.59 61.37 -1.75 38.33 61.67 -2.35 37.96 61.52 3 0 13.44 -999 ? N3 IMD A 303 >TYR~A 5 -4.70 41.79 58.40 -2.08 42.69 57.98 -3.39 42.24 58.19 3 0 11.52 -999 ? N3 IMD A 303 >ASP~A 6 -10.02 37.74 59.15 -10.04 38.12 57.02 -10.03 37.93 58.08 2 0 19.22 -999 ? N1 IMD A 304 >ALA~A 7 -9.03 37.59 63.56 -7.78 36.79 63.98 -8.41 37.19 63.77 2 0 18.97 -999 ? N3 IMD A 303 >MET?A 8 -8.37 41.15 64.86 -4.52 42.97 64.38 -6.44 42.06 64.62 2 0 13.69 -999 ? C2 IMD A 304 >ILE~A 9 -11.47 42.85 61.49 -11.50 43.51 60.25 -11.49 43.18 60.87 3 0 17.86 -999 ? C2 IMD A 304 >ASN~A 10 -13.85 38.61 63.29 -14.12 38.63 61.20 -13.99 38.62 62.25 2 0 22.46 -999 ? N1 IMD A 304 >GLY~A 11 -13.06 40.41 67.60 -13.32 41.00 67.13 -13.19 40.70 67.36 1 0 22.02 -999 ? O2 EDO A 307 >ILE.A 12 -13.94 45.14 66.72 -13.17 46.31 66.38 -13.55 45.72 66.55 3 0 20.27 -999 ? C2 IMD A 304 >PRO.A 13 -17.07 43.92 71.05 -17.34 44.24 68.85 -17.20 44.08 69.95 3 0 24.26 -999 ? O2 EDO A 307 >GLU.A 14 -21.47 45.31 64.76 -23.34 45.01 64.04 -22.40 45.16 64.40 2 0 28.65 -999 ? N3 IMD A 304 >ASP.A 15 -21.61 48.22 70.89 -23.37 46.92 71.08 -22.49 47.57 70.99 2 0 29.80 -999 ? O1 EDO A 307 >PHE.A 16 -16.41 49.24 70.80 -16.05 48.14 73.33 -16.23 48.69 72.06 3 0 22.47 -999 ? O1 EDO A 307 >LEU.A 17 -19.18 54.64 67.21 -21.28 54.14 67.01 -20.23 54.39 67.11 3 0 25.46 -999 ? N3 IMD A 304 >VAL.A 18 -15.32 55.92 65.68 -14.17 55.89 63.76 -14.74 55.90 64.72 3 0 19.65 -999 ? N3 IMD A 304 >ASP.A 19 -16.26 58.75 69.46 -17.79 57.29 69.82 -17.03 58.02 69.64 2 0 24.75 -999 ? N3 IMD A 304 >GLU^A 20 -12.24 63.03 68.42 -11.07 63.73 70.09 -11.65 63.38 69.25 2 0 21.58 -999 ? O1 EDO A 307 >LEU^A 21 -10.86 59.88 63.22 -9.76 58.79 61.67 -10.31 59.34 62.45 3 0 15.80 -999 ? N3 IMD A 304 >VAL^A 22 -7.07 62.58 63.60 -6.44 64.35 64.71 -6.75 63.47 64.15 3 0 15.87 -999 ? N3 IMD A 304 >CYH.A 23 -4.52 61.85 60.87 -6.12 60.36 59.21 -5.32 61.10 60.04 2 0 12.09 -999 ? N3 IMD A 304 >GLY.A 24 -1.16 63.34 61.76 -1.20 62.68 61.24 -1.18 63.01 61.50 1 0 11.90 -999 ? N3 IMD A 304 >THR.A 25 2.22 63.27 60.02 3.63 64.88 59.54 2.93 64.08 59.78 2 0 11.91 -999 ? N3 IMD A 304 >THR.A 26 3.59 60.31 62.01 4.86 61.48 63.35 4.22 60.90 62.68 2 0 10.14 -999 ? N3 IMD A 304 >HIS^A 27 1.63 57.78 65.52 3.37 57.00 66.40 2.50 57.39 65.96 3 0 9.24 -999 ? N3 IMD A 304 >SER^A 28 -3.27 58.27 62.92 -3.65 57.95 60.54 -3.46 58.11 61.73 2 0 9.02 -999 ? N3 IMD A 304 >VAL^A 29 -5.39 58.21 66.11 -5.17 59.66 67.77 -5.28 58.94 66.94 3 0 13.90 -999 ? N3 IMD A 304 >ILE^A 30 -9.46 55.88 66.02 -10.43 55.40 64.96 -9.95 55.64 65.49 3 0 15.64 -999 ? N3 IMD A 304 >ARG^A 31 -12.11 59.70 72.96 -15.02 60.62 72.41 -13.56 60.16 72.69 2 0 23.25 -999 ? O1 EDO A 307 >SER^A 32 -14.04 55.00 70.61 -15.38 52.98 70.15 -14.71 53.99 70.38 2 0 21.73 -999 ? O1 EDO A 307 >GLY.A 33 -15.59 55.91 73.96 -14.87 56.05 73.65 -15.23 55.98 73.80 1 0 22.31 -999 ? O1 EDO A 307 >ASN.A 34 -13.11 55.35 78.00 -11.47 55.37 79.37 -12.29 55.36 78.68 2 0 19.37 -999 ? O1 EDO A 307 >GLY^A 35 -10.37 53.92 74.35 -10.63 54.64 74.04 -10.50 54.28 74.19 1 0 16.85 -999 ? O1 EDO A 307 >VAL^A 36 -7.68 55.35 72.11 -6.99 57.42 72.35 -7.33 56.39 72.23 3 0 14.52 -999 ? O1 EDO A 307 >GLY^A 37 -5.75 53.49 69.41 -5.84 54.29 69.29 -5.79 53.89 69.35 1 0 12.55 -999 ? O1 EDO A 307 >LEU^A 38 -1.53 54.85 68.10 -1.08 56.49 69.43 -1.31 55.67 68.77 3 0 9.60 -999 ? O1 EDO A 307 >GLY^A 39 -1.36 53.50 63.89 -1.16 54.30 64.12 -1.26 53.90 64.01 1 0 7.75 -999 ? N3 IMD A 304 >PRO^A 40 2.64 52.38 62.29 1.40 54.26 62.54 2.02 53.32 62.42 3 0 -4.76 -999 ? C2 IMD A 304s >ASN.A 41 1.52 58.26 59.10 -0.58 58.15 59.32 0.47 58.20 59.21 2 0 6.64 -999 ? N3 IMD A 304 >ARG.A 42 5.32 55.15 54.27 7.07 52.60 53.93 6.20 53.88 54.10 2 0 -3.97 -999 ? C5 IMD A 304s >PRO.A 43 8.38 60.94 56.67 6.15 60.85 56.27 7.26 60.90 56.47 3 0 8.75 -999 ? C4 IMD A 304 >MET?A 48 -6.84 61.69 52.74 -6.31 57.56 52.17 -6.58 59.62 52.45 2 0 11.55 -999 ? C4 IMD A 304 >PRO.A 49 -7.52 65.87 53.20 -8.54 64.01 53.93 -8.03 64.94 53.57 3 0 16.75 -999 ? C4 IMD A 304 >MET?A 50 -12.22 63.01 52.82 -12.87 66.03 50.69 -12.55 64.52 51.76 2 0 21.61 -999 ? C4 IMD A 304 >LEU.A 51 -10.71 58.47 53.80 -10.42 56.31 53.93 -10.57 57.39 53.86 3 0 14.87 -999 ? C4 IMD A 304 >THR.A 52 -11.26 60.85 57.51 -9.53 61.90 58.38 -10.40 61.37 57.95 2 0 15.69 -999 ? N3 IMD A 304 >ASN.A 54 -16.40 58.92 55.20 -17.34 59.76 53.48 -16.87 59.34 54.34 2 0 22.01 -999 ? C4 IMD A 304 >LEU.A 55 -13.88 56.82 59.31 -12.87 55.48 57.90 -13.38 56.15 58.61 3 0 17.12 -999 ? N3 IMD A 304 >LEU.A 56 -16.73 60.95 62.05 -15.58 62.06 63.45 -16.16 61.50 62.75 3 0 21.89 -999 ? N3 IMD A 304 >GLY.A 57 -19.80 57.76 63.32 -19.20 57.31 63.06 -19.50 57.54 63.19 1 0 24.34 -999 ? N3 IMD A 304 >LEU.A 58 -18.34 54.11 60.44 -19.12 54.37 58.42 -18.73 54.24 59.43 3 0 22.27 -999 ? N3 IMD A 304 >PRO~A 59 -20.71 50.41 62.67 -19.00 51.72 63.21 -19.85 51.07 62.94 3 0 23.94 -999 ? N3 IMD A 304 >LEU~A 60 -14.82 50.57 66.19 -13.28 51.53 67.31 -14.05 51.05 66.75 3 0 19.75 -999 ? N3 IMD A 304 >ARG~A 61 -16.31 43.64 63.40 -19.02 42.40 64.04 -17.66 43.02 63.72 2 0 25.45 -999 ? C2 IMD A 304 >VAL~A 62 -16.20 48.81 59.74 -18.10 49.34 58.78 -17.15 49.08 59.26 3 0 21.03 -999 ? N3 IMD A 304 >ALA~A 63 -13.38 51.39 59.97 -13.29 52.47 61.02 -13.33 51.93 60.49 2 0 17.05 -999 ? N3 IMD A 304 >ALA~A 64 -10.98 48.53 61.00 -11.22 47.53 62.13 -11.10 48.03 61.57 2 0 16.19 -999 ? C2 IMD A 304 >GLY~A 65 -11.52 47.06 57.51 -11.10 47.70 57.77 -11.31 47.38 57.64 1 0 16.12 -999 ? C4 IMD A 304 >CYH~A 66 -9.29 49.92 56.34 -10.83 52.25 56.33 -10.06 51.08 56.34 2 0 14.26 -999 ? C4 IMD A 304 >VAL~A 67 -6.30 48.06 57.87 -5.89 46.45 59.37 -6.09 47.25 58.62 3 0 11.01 -999 ? N1 IMD A 304 >LYS~A 68 -6.34 45.86 54.77 -10.78 41.93 56.10 -8.56 43.90 55.43 2 0 17.54 -999 ? N1 IMD A 304 >SER~A 69 -5.93 48.79 52.39 -6.03 51.04 51.58 -5.98 49.92 51.99 2 0 10.82 -999 ? C4 IMD A 304 >TRP.A 70 -4.08 46.03 48.48 -1.10 44.29 50.35 -2.59 45.16 49.42 3 0 11.39 -999 ? C5 IMD A 304 >ASN~A 71 -4.23 53.57 50.33 -3.87 55.63 50.69 -4.05 54.60 50.51 2 0 9.64 -999 ? C4 IMD A 304 >TYR~A 72 1.22 51.38 53.12 2.23 48.94 52.08 1.73 50.17 52.60 3 0 -4.39 -999 ? C5 IMD A 304s >VAL~A 73 -2.39 56.09 55.20 -2.25 58.24 54.88 -2.32 57.17 55.04 3 0 7.20 -999 ? C4 IMD A 304 >GLU~A 74 -7.76 53.15 53.98 -8.91 52.89 52.25 -8.34 53.02 53.12 2 0 13.03 -999 ? C4 IMD A 304 >ALA~A 75 -4.29 51.18 56.59 -3.20 50.35 55.98 -3.75 50.76 56.28 2 0 7.15 -999 ? C4 IMD A 304 >SER~A 76 -2.84 53.23 59.46 -1.67 55.05 60.58 -2.25 54.14 60.02 2 0 6.13 -999 ? N3 IMD A 304 >ILE~A 77 -7.22 55.28 59.23 -7.91 56.47 58.78 -7.57 55.87 59.01 3 0 11.42 -999 ? N3 IMD A 304 >GLY~A 78 -7.63 50.88 60.19 -7.06 51.25 60.64 -7.34 51.06 60.42 1 0 11.54 -999 ? N3 IMD A 304 >LEU~A 79 -3.47 49.79 62.54 -2.15 48.52 63.74 -2.81 49.16 63.14 3 0 8.72 -999 ? C2 IMD A 304 >ALA~A 80 -5.89 52.93 64.91 -5.87 54.41 64.48 -5.88 53.67 64.69 2 0 11.52 -999 ? N3 IMD A 304 >ALA~A 81 -9.51 51.66 64.89 -10.39 51.51 63.63 -9.95 51.58 64.26 2 0 15.08 -999 ? N3 IMD A 304 >ILE~A 82 -7.39 47.26 65.10 -6.95 46.11 64.44 -7.17 46.68 64.77 3 0 13.84 -999 ? C2 IMD A 304 >ASN~A 83 -5.01 50.23 68.57 -3.52 48.95 67.72 -4.27 49.59 68.15 2 0 10.98 -999 ? O1 EDO A 307 >ALA~A 84 -9.28 51.75 69.94 -10.14 52.63 69.08 -9.71 52.19 69.51 2 0 16.72 -999 ? O1 EDO A 307 >TYR~A 85 -12.20 46.28 70.81 -13.19 44.15 72.28 -12.70 45.22 71.54 3 0 19.41 -999 ? O2 EDO A 307 >TYR~A 86 -8.00 44.42 70.41 -9.33 42.55 68.81 -8.66 43.49 69.61 3 0 16.46 -999 ? O2 EDO A 307 >ASN~A 87 -5.04 49.73 73.11 -3.76 48.46 71.94 -4.40 49.09 72.52 2 0 10.20 -999 ? O1 EDO A 307 >ASN~A 88 -10.63 50.08 75.33 -12.07 50.92 76.59 -11.35 50.50 75.96 2 0 18.52 -999 ? O2 EDO A 307 >PRO~A 89 -8.88 52.48 79.57 -8.30 50.49 78.71 -8.59 51.48 79.14 3 0 15.71 -999 ? O2 EDO A 307 >VAL~A 91 -11.06 45.93 77.35 -11.67 45.98 75.22 -11.37 45.96 76.28 3 0 17.76 -999 ? O2 EDO A 307 >ALA~A 92 -7.37 45.27 77.83 -6.31 46.37 77.83 -6.84 45.82 77.83 2 0 12.98 -999 ? O2 EDO A 307 >ARG~A 93 -7.55 46.76 84.51 -6.64 49.71 84.73 -7.10 48.24 84.62 2 0 16.24 -999 ? O2 EDO A 307 >GLU~A 94 -12.93 43.26 80.63 -14.46 44.18 79.46 -13.69 43.72 80.04 2 0 21.54 -999 ? O2 EDO A 307 >HIS~A 95 -9.14 40.90 75.87 -10.72 41.16 74.50 -9.93 41.03 75.19 3 0 17.67 -999 ? O2 EDO A 307 >GLY.A 96 -5.57 39.92 80.94 -5.52 40.55 80.48 -5.55 40.23 80.71 1 0 15.66 -999 ? O2 EDO A 307 >VAL.A 97 -3.39 43.00 80.42 -3.02 44.23 78.64 -3.20 43.62 79.53 3 0 11.48 -999 ? O2 EDO A 307 >ILE.A 98 -1.29 43.49 84.67 -2.36 43.21 85.65 -1.83 43.35 85.16 3 0 13.95 -999 ? O2 EDO A 307 >PHE.A 99 -2.69 49.10 82.47 -5.35 49.63 81.80 -4.02 49.37 82.14 3 0 12.58 -999 ? O2 EDO A 307 >SER.A 100 -1.45 51.09 86.67 -0.54 52.78 88.17 -1.00 51.94 87.42 2 0 15.58 -999 ? O2 EDO A 307 >ALA.A 102 -1.02 56.71 87.03 -0.27 56.30 88.29 -0.65 56.50 87.66 2 0 16.92 -999 ? O2 EDO A 307 >ASN.A 110 8.77 48.85 81.21 10.83 48.94 81.90 9.80 48.89 81.56 2 0 7.81 -999 ? O1 EDO A 311 >ASP~A 111 11.77 48.79 77.42 12.75 48.97 75.51 12.26 48.88 76.47 2 0 -3.00 -999 ? O1 EDO A 311s >PRO~A 112 9.72 45.58 73.72 10.56 45.23 75.76 10.14 45.41 74.74 3 0 -4.38 -999 ? O1 EDO A 311s >PHE~A 113 14.09 46.09 72.25 12.71 46.28 69.82 13.40 46.18 71.04 3 0 4.82 -999 ? C1 EDO A 311 >ILE~A 114 15.12 46.91 78.83 15.37 48.06 79.40 15.25 47.48 79.12 3 0 7.44 -999 ? O1 EDO A 311 >MET?A 115 13.18 42.90 79.46 8.96 42.91 78.96 11.07 42.91 79.21 2 0 7.32 -999 ? O2 EDO A 307 >SER~A 116 14.87 40.26 77.29 14.04 40.93 75.09 14.45 40.59 76.19 2 0 9.58 -999 ? C1 EDO A 311 >GLN.A 117 18.80 43.68 77.99 19.58 45.07 79.39 19.19 44.37 78.69 2 0 11.73 -999 ? O1 EDO A 311 >ASN.A 118 18.83 37.90 81.16 19.80 39.09 82.63 19.32 38.50 81.90 2 0 16.67 -999 ? O1 EDO A 311 >GLU.A 119 15.17 34.65 77.05 13.14 34.97 76.77 14.15 34.81 76.91 2 0 15.15 -999 ? O2 EDO A 307 >VAL.A 120 18.95 36.69 74.24 17.97 38.58 73.65 18.46 37.64 73.95 3 0 14.39 -999 ? C1 EDO A 311 >LYS.A 121 22.56 36.67 75.45 23.83 40.21 79.62 23.20 38.44 77.54 2 0 17.52 -999 ? O1 EDO A 311 >GLY.A 122 24.71 34.71 72.99 23.97 34.93 72.83 24.34 34.82 72.91 1 0 20.61 -999 ? C1 EDO A 311 >LYS.A 123 21.73 34.07 70.71 21.22 29.47 73.44 21.48 31.77 72.07 2 0 21.55 -999 ? O2 EDO B 308 >LYS^A 124 20.80 35.08 67.19 22.26 36.11 62.03 21.53 35.60 64.61 2 0 12.16 -999 ? O2 EDO B 308 >VAL^A 125 18.36 38.00 67.17 18.04 39.07 69.07 18.20 38.54 68.12 3 0 14.25 -999 ? C1 EDO A 311 >GLY^A 126 16.48 39.56 64.27 16.15 39.71 65.07 16.32 39.64 64.67 1 0 12.11 -999 ? C5 IMD A 303 >VAL^A 127 14.72 42.95 64.55 15.11 44.34 66.19 14.92 43.65 65.37 3 0 9.80 -999 ? CL CL A 301 >VAL^A 128 12.44 44.37 61.84 11.35 43.19 60.34 11.90 43.78 61.09 3 0 5.24 -999 ? C5 IMD A 303 >GLY.A 129 11.92 48.15 62.13 12.68 47.90 62.25 12.30 48.02 62.19 1 0 3.94 -999 ? CL CL A 301 >HIS.A 130 14.56 53.55 63.07 15.72 55.10 63.88 15.14 54.32 63.48 3 0 7.55 -999 ? CL CL A 301 >PHE.A 131 12.61 49.22 67.47 10.37 47.84 66.59 11.49 48.53 67.03 3 0 5.17 -999 ? O2 EDO A 311 >PRO.A 132 14.10 55.45 68.69 15.53 53.73 68.43 14.82 54.59 68.56 3 0 5.76 -999 ? O2 EDO A 311 >HIS~A 133 18.72 54.97 71.86 18.29 57.00 71.72 18.51 55.99 71.79 3 0 8.81 -999 ? O2 EDO A 311 >LEU~A 134 17.64 48.78 68.88 16.62 46.93 69.18 17.13 47.86 69.03 3 0 7.32 -999 ? O2 EDO A 311 >SER~A 136 23.59 49.97 71.86 24.04 52.31 71.50 23.82 51.14 71.68 2 0 12.99 -999 ? O2 EDO A 311 >LEU~A 138 20.32 44.17 71.10 18.51 43.28 71.86 19.41 43.73 71.48 3 0 10.83 -999 ? C1 EDO A 311 >GLU~A 139 26.14 44.86 67.79 25.38 43.21 66.57 25.76 44.04 67.18 2 0 17.09 -999 ? O2 EDO A 311 >PRO.A 140 26.45 46.17 73.32 26.60 44.20 72.28 26.52 45.19 72.80 3 0 16.63 -999 ? O2 EDO A 311 >ILE.A 141 24.24 41.15 75.23 23.32 42.00 75.98 23.78 41.57 75.61 3 0 15.85 -999 ? C1 EDO A 311 >CYH.A 142 23.94 39.01 71.07 21.45 40.35 70.52 22.70 39.68 70.79 2 0 14.56 -999 ? C1 EDO A 311 >ASP^A 143 24.50 36.90 66.83 24.76 36.80 64.68 24.63 36.85 65.75 2 0 15.29 -999 ? O2 EDO B 308 >LEU^A 144 22.01 42.46 66.94 20.42 43.93 67.17 21.22 43.19 67.05 3 0 13.65 -999 ? O2 EDO A 311 >SER^A 145 20.53 41.81 62.72 21.39 39.83 61.65 20.96 40.82 62.19 2 0 14.12 -999 ? O2 EDO B 308 >ILE^A 146 18.77 46.29 62.66 18.66 47.33 63.59 18.72 46.81 63.13 3 0 9.06 -999 ? CL CL A 301 >LEU^A 147 15.47 43.63 58.64 15.99 41.52 58.75 15.73 42.58 58.69 3 0 7.67 -999 ? C5 IMD A 303 >GLU^A 148 15.48 49.35 59.68 16.87 50.86 60.22 16.17 50.10 59.95 2 0 -5.71 -999 ? CL CL A 301s >TRP.A 149 9.21 49.31 55.22 8.92 46.96 52.05 9.06 48.13 53.63 3 0 4.13 -999 ? C4 IMD A 303s >SER.A 150 15.37 52.09 54.28 13.76 53.67 53.30 14.57 52.88 53.79 2 0 6.92 -999 ? CL CL A 301 >PRO.A 151 18.81 49.44 54.24 17.88 50.90 55.66 18.34 50.17 54.95 3 0 7.79 -999 ? CL CL A 301 >GLU.A 152 19.48 53.79 60.11 19.52 54.08 62.22 19.50 53.93 61.16 2 0 9.77 -999 ? CL CL A 301 >GLU.A 153 26.99 52.49 57.43 28.71 53.36 58.25 27.85 52.92 57.84 2 0 17.58 -999 ? CL CL A 301 >GLY.A 154 24.89 48.79 59.75 24.21 48.99 59.43 24.55 48.89 59.59 1 0 13.50 -999 ? CL CL A 301 >ASP.A 155 20.30 48.37 59.16 20.58 49.32 61.10 20.44 48.85 60.13 2 0 9.44 -999 ? CL CL A 301 >TYR^A 156 20.88 43.02 57.03 23.13 41.68 57.93 22.00 42.35 57.48 3 0 12.98 -999 ? CL CL A 301 >PRO^A 157 18.69 45.30 52.01 17.83 45.79 53.99 18.26 45.54 53.00 3 0 9.03 -999 ? C4 IMD B 305 >LEU.A 158 12.54 44.90 54.02 10.97 44.49 55.45 11.75 44.69 54.74 3 0 -4.26 -999 ? C5 IMD A 303s >PRO.A 159 14.34 43.24 49.79 14.28 42.11 51.78 14.31 42.68 50.79 3 0 8.24 -999 ? N3 IMD B 302 >ALA~A 160 17.11 40.07 53.71 18.26 40.87 54.34 17.69 40.47 54.02 2 0 11.14 -999 ? C5 IMD A 303 >SER~A 161 14.33 38.77 55.99 12.30 39.44 54.87 13.31 39.10 55.43 2 0 8.18 -999 ? C4 IMD A 303 >GLU~A 162 12.52 36.28 51.73 10.93 34.91 51.96 11.73 35.59 51.85 2 0 10.75 -999 ? O2 EDO B 308 >PHE~A 163 18.66 35.71 52.14 18.36 35.63 49.37 18.51 35.67 50.76 3 0 6.38 -999 ? O2 EDO B 308 >ILE~A 164 18.36 37.53 58.37 19.24 38.56 58.85 18.80 38.05 58.61 3 0 10.84 -999 ? O2 EDO B 308 >LEU~A 165 13.50 36.10 59.79 13.10 38.20 60.34 13.30 37.15 60.06 3 0 10.69 -999 ? C5 IMD A 303 >PRO~A 166 14.07 32.03 57.38 14.78 32.37 59.49 14.42 32.20 58.44 3 0 9.14 -999 ? O2 EDO B 308 >GLU~A 167 19.75 31.69 59.44 19.21 29.70 58.98 19.48 30.70 59.21 2 0 7.15 -999 ? O2 EDO B 308 >CYH~A 168 16.95 33.63 64.42 17.29 36.10 63.22 17.12 34.87 63.82 2 0 13.36 -999 ? O2 EDO B 308 >ASP.A 169 17.39 32.21 69.00 18.97 30.98 68.30 18.18 31.59 68.65 2 0 16.49 -999 ? O2 EDO B 308 >TYR^A 170 14.99 35.33 71.27 15.12 33.52 73.40 15.06 34.43 72.33 3 0 15.76 -999 ? C1 EDO A 311 >VAL^A 171 12.57 37.98 66.54 12.16 37.31 64.51 12.37 37.65 65.52 3 0 12.46 -999 ? C5 IMD A 303 >TYR^A 172 12.37 41.82 69.29 13.45 40.56 71.53 12.91 41.19 70.41 3 0 8.98 -999 ? C1 EDO A 311 >ILE^A 173 7.98 42.06 63.75 7.61 41.17 62.73 7.80 41.62 63.24 3 0 7.35 -999 ? N3 IMD A 303 >THR^A 174 7.59 46.58 64.38 7.78 48.08 62.81 7.68 47.33 63.59 2 0 -4.06 -999 ? C2 IMD A 303s >CYH~A 175 3.80 46.97 64.47 3.43 49.38 65.85 3.61 48.17 65.16 2 0 7.42 -999 ? O1 EDO A 307 >ALA~A 176 4.27 49.00 61.21 5.48 49.86 60.81 4.88 49.43 61.01 2 0 -3.62 -999 ? C2 IMD A 304s >SER~A 177 4.33 45.54 59.60 4.67 43.95 61.38 4.50 44.74 60.49 2 0 -5.10 -999 ? N3 IMD A 303s >VAL~A 178 0.57 45.26 60.20 -0.73 45.13 61.98 -0.08 45.19 61.09 3 0 8.11 -999 ? N3 IMD A 303 >VAL~A 179 0.04 48.40 58.18 0.06 50.54 58.69 0.05 49.47 58.44 3 0 4.55 -999 ? C2 IMD A 304 >ASP~A 180 3.63 48.05 55.01 5.04 47.17 56.23 4.34 47.61 55.62 2 0 2.82 -999 ? N3 IMD A 303s >LYS.A 181 1.13 43.78 55.16 -2.57 47.21 54.70 -0.72 45.50 54.93 2 0 8.00 -999 ? C5 IMD A 304 >THR~A 182 4.65 42.36 55.55 6.02 44.05 55.68 5.34 43.20 55.62 2 0 -3.42 -999 ? C4 IMD A 303s >LEU~A 183 2.61 41.31 59.86 2.61 40.90 62.02 2.61 41.10 60.94 3 0 7.84 -999 ? N3 IMD A 303 >PRO~A 184 0.32 38.69 56.84 2.32 38.14 57.75 1.32 38.42 57.30 3 0 10.17 -999 ? N3 IMD A 303 >ARG~A 185 6.87 34.89 53.67 8.26 32.24 52.99 7.57 33.56 53.33 2 0 12.37 -999 ? O2 EDO B 308 >LEU~A 186 7.60 39.10 59.13 8.76 40.80 58.34 8.18 39.95 58.74 3 0 6.41 -999 ? C4 IMD A 303 >LEU~A 187 4.20 35.57 61.25 3.53 36.93 62.83 3.86 36.25 62.04 3 0 11.69 -999 ? N3 IMD A 303 >GLU~A 188 5.91 30.95 56.53 4.80 29.26 57.23 5.36 30.11 56.88 2 0 16.39 -999 ? O2 EDO B 308 >LEU~A 189 10.50 34.47 57.65 10.84 34.85 55.59 10.67 34.66 56.62 3 0 11.77 -999 ? C4 IMD A 303 >SER~A 190 10.27 33.46 62.00 10.38 35.91 61.88 10.32 34.68 61.94 2 0 11.48 -999 ? C4 IMD A 303 >ARG.A 191 6.70 28.14 60.28 8.63 27.33 58.02 7.67 27.74 59.15 2 0 13.38 -999 ? O2 EDO B 308 >ASN.A 192 11.70 27.55 63.64 10.56 26.23 62.37 11.13 26.89 63.01 2 0 14.70 -999 ? O2 EDO B 308 >ALA.A 193 12.20 31.28 66.74 11.88 32.76 66.61 12.04 32.02 66.68 2 0 16.79 -999 ? C4 IMD A 303 >ARG^A 195 9.36 36.33 73.43 10.69 35.92 76.17 10.03 36.13 74.80 2 0 13.23 -999 ? O2 EDO A 307 >ILE^A 196 7.67 36.00 66.92 7.51 35.64 65.61 7.59 35.82 66.26 3 0 13.68 -999 ? N3 IMD A 303 >THR^A 197 7.34 39.84 69.63 8.22 40.49 71.55 7.78 40.17 70.59 2 0 8.71 -999 ? O2 EDO A 307 >LEU^A 198 3.86 42.44 67.48 2.91 43.11 65.67 3.38 42.78 66.58 3 0 9.71 -999 ? C1 EDO A 307 >VAL^A 199 6.45 45.98 69.25 8.50 45.94 70.19 7.48 45.96 69.72 3 0 4.83 -999 ? C1 EDO A 307 >GLY.A 200 5.46 49.60 69.14 4.86 49.15 69.55 5.16 49.37 69.34 1 0 -3.75 -999 ? O1 EDO A 307s >PRO.A 201 4.32 53.62 69.64 3.23 51.68 69.72 3.78 52.65 69.68 3 0 4.11 -999 ? O1 EDO A 307 >GLY.A 202 0.42 50.50 67.18 0.84 50.02 67.64 0.63 50.26 67.41 1 0 7.87 -999 ? O1 EDO A 307 >THR.A 203 0.55 46.97 68.59 2.21 45.80 69.31 1.38 46.38 68.95 2 0 6.69 -999 ? C1 EDO A 307 >PRO.A 204 -3.01 45.16 66.97 -2.30 45.79 69.04 -2.65 45.47 68.01 3 0 11.11 -999 ? C1 EDO A 307 >LEU.A 205 -3.15 44.96 74.07 -1.45 46.19 74.78 -2.30 45.57 74.42 3 0 8.91 -999 ? O2 EDO A 307 >ALA~A 206 -5.14 41.24 71.35 -5.47 41.54 69.91 -5.31 41.39 70.63 2 0 14.34 -999 ? O2 EDO A 307 >PRO~A 207 -5.45 38.66 74.80 -4.64 38.47 72.71 -5.05 38.57 73.76 3 0 14.89 -999 ? O2 EDO A 307 >VAL~A 208 -6.03 36.24 69.73 -7.42 36.83 68.09 -6.73 36.53 68.91 3 0 18.44 -999 ? O2 EDO A 307 >LEU~A 209 -2.00 38.46 68.10 -2.62 40.21 66.86 -2.31 39.34 67.48 3 0 14.37 -999 ? O2 EDO A 307 >PHE~A 210 -0.72 35.46 72.50 0.09 37.67 73.98 -0.32 36.57 73.24 3 0 13.50 -999 ? O2 EDO A 307 >GLU~A 211 -5.09 31.82 69.82 -7.21 32.12 70.11 -6.15 31.97 69.97 2 0 21.52 -999 ? O2 EDO A 307 >HIS~A 212 -3.97 34.28 64.18 -5.85 33.56 63.62 -4.91 33.92 63.90 3 0 18.59 -999 ? N3 IMD A 303 >GLY.A 213 2.05 32.99 65.25 1.77 33.50 65.75 1.91 33.25 65.50 1 0 16.35 -999 ? N3 IMD A 303 >LEU.A 214 2.44 36.96 67.85 2.97 38.68 66.59 2.71 37.82 67.22 3 0 13.41 -999 ? O2 EDO A 307 >GLN.A 215 5.23 32.59 70.92 5.75 32.73 68.86 5.49 32.66 69.89 2 0 16.68 -999 ? O2 EDO A 307 >GLU^A 216 6.00 39.88 74.39 7.94 40.11 75.25 6.97 40.00 74.82 2 0 8.37 -999 ? O2 EDO A 307 >LEU^A 217 1.39 41.79 72.12 0.23 40.67 70.69 0.81 41.23 71.40 3 0 9.52 -999 ? O2 EDO A 307 >SER^A 218 4.62 44.96 73.49 6.59 45.83 74.58 5.60 45.39 74.04 2 0 -2.51 -999 ? O2 EDO A 307s >GLY^A 219 2.53 48.05 73.02 2.78 47.98 73.78 2.66 48.01 73.40 1 0 -4.10 -999 ? O2 EDO A 307s >PHE^A 220 1.63 53.59 74.18 1.68 56.17 75.20 1.65 54.88 74.69 3 0 6.32 -999 ? O1 EDO A 307 >MET?A 221 -1.78 52.16 76.83 -4.73 51.32 77.88 -3.25 51.74 77.36 2 0 11.72 -999 ? O2 EDO A 307 >VAL^A 222 -2.94 55.76 76.39 -3.56 57.10 74.77 -3.25 56.43 75.58 3 0 11.27 -999 ? O1 EDO A 307 >ASP~A 224 -3.15 61.75 78.94 -3.77 63.76 79.41 -3.46 62.75 79.17 2 0 17.57 -999 ? O1 EDO A 307 >ASN~A 225 -8.30 60.36 75.90 -8.75 58.30 76.35 -8.52 59.33 76.13 2 0 17.02 -999 ? O1 EDO A 307 >ALA~A 226 -6.98 64.46 75.21 -7.49 65.49 76.25 -7.23 64.97 75.73 2 0 20.26 -999 ? O1 EDO A 307 >ARG~A 227 0.00 64.69 77.54 2.69 65.74 78.55 1.35 65.22 78.05 2 0 16.34 -999 ? O1 EDO A 307 >ALA~A 228 -2.60 61.79 72.89 -3.24 60.41 73.02 -2.92 61.10 72.96 2 0 13.34 -999 ? O1 EDO A 307 >PHE~A 229 -7.00 62.91 69.87 -8.64 60.84 68.93 -7.82 61.87 69.40 3 0 18.01 -999 ? O1 EDO A 307 >ARG~A 230 -3.57 69.19 74.06 -4.30 67.92 76.80 -3.94 68.56 75.43 2 0 20.37 -999 ? O1 EDO A 307 >ILE~A 231 1.15 63.98 71.12 2.02 63.39 72.00 1.59 63.69 71.56 3 0 13.58 -999 ? O1 EDO A 307 >VAL~A 232 -0.67 63.30 67.11 -1.74 61.37 66.74 -1.20 62.33 66.92 3 0 13.78 -999 ? N3 IMD A 304 >ALA~A 233 -2.11 66.54 65.71 -3.34 67.23 66.31 -2.72 66.88 66.01 2 0 17.82 -999 ? N3 IMD A 304 >GLY.A 234 1.28 68.28 66.06 0.67 68.45 66.55 0.97 68.37 66.30 1 0 17.41 -999 ? N3 IMD A 304 >ALA.A 235 -0.03 70.67 68.75 -1.50 70.78 69.15 -0.76 70.72 68.95 2 0 21.54 -999 ? O1 EDO A 307 >GLU.A 236 1.22 68.99 73.29 1.08 68.00 75.16 1.15 68.49 74.22 2 0 17.98 -999 ? O1 EDO A 307 >VAL.A 238 6.49 65.63 71.99 5.95 66.15 74.08 6.22 65.89 73.03 3 0 14.97 -999 ? O1 EDO A 307 >ILE~A 240 2.94 58.88 71.00 2.13 58.73 71.16 2.54 58.80 71.08 3 0 8.78 -999 ? O1 EDO A 307 >TYR~A 241 6.61 56.41 74.13 7.09 54.46 72.19 6.85 55.43 73.16 3 0 -4.60 -999 ? O1 EDO A 307s >SER~A 242 4.23 61.12 77.22 5.81 62.76 76.43 5.02 61.94 76.82 2 0 12.44 -999 ? O1 EDO A 307 >ALA.A 243 0.50 60.36 76.94 -0.25 60.65 75.64 0.13 60.51 76.29 2 0 12.02 -999 ? O1 EDO A 307 >GLY^A 244 0.69 56.87 78.48 1.44 57.08 78.41 1.07 56.98 78.44 1 0 9.97 -999 ? O1 EDO A 307 >GLN^A 245 2.33 52.08 81.56 1.23 51.63 83.34 1.78 51.85 82.45 2 0 10.38 -999 ? O2 EDO A 307 >LYS^A 246 4.24 50.81 77.78 10.08 52.18 75.56 7.16 51.50 76.67 2 0 2.81 -999 ? O1 EDO A 311s >VAL^A 247 2.57 47.42 78.31 0.48 48.15 78.20 1.52 47.79 78.26 3 0 5.79 -999 ? O2 EDO A 307 >THR^A 248 3.61 43.87 77.37 5.74 43.42 77.06 4.67 43.65 77.21 2 0 5.36 -999 ? O2 EDO A 307 >ILE^A 249 0.03 40.59 76.98 -1.28 41.22 76.74 -0.62 40.91 76.86 3 0 10.24 -999 ? O2 EDO A 307 >LYS^A 250 3.07 37.21 76.78 7.59 38.94 79.61 5.33 38.07 78.20 2 0 10.59 -999 ? O2 EDO A 307 >LYS.A 251 1.41 34.04 75.49 0.56 29.94 70.90 0.98 31.99 73.20 2 0 19.59 -999 ? O2 EDO A 307 >PHE~B -2 16.13 29.23 54.44 18.39 30.18 55.74 17.26 29.70 55.09 3 0 -4.40 -999 ? O2 EDO B 308s >GLY~B 0 18.04 26.97 47.65 17.83 27.60 48.07 17.94 27.28 47.86 1 0 3.85 -999 ? O1 EDO B 308 >MET?B 1 17.73 30.74 47.54 15.30 32.55 50.44 16.51 31.65 48.99 2 0 -5.81 -999 ? C2 EDO B 308s >TRP~B 2 22.84 32.30 49.70 22.47 36.10 48.75 22.66 34.20 49.23 3 0 -5.32 -999 ? C1 EDO B 308s >GLU~B 3 20.54 26.61 44.93 19.37 24.84 44.85 19.95 25.72 44.89 2 0 5.67 -999 ? O1 EDO B 308 >ILE~B 4 18.52 31.81 40.89 17.59 32.86 40.55 18.06 32.33 40.72 3 0 9.38 -999 ? O1 EDO B 308 >TYR~B 5 21.77 35.35 43.28 19.67 37.16 43.63 20.72 36.25 43.46 3 0 9.30 -999 ? O1 EDO B 308 >ASP~B 6 25.58 29.95 43.00 26.27 30.94 44.83 25.93 30.45 43.92 2 0 6.60 -999 ? O1 EDO B 308 >ALA~B 7 24.15 29.43 38.59 22.69 29.00 38.31 23.42 29.22 38.45 2 0 10.39 -999 ? O1 EDO B 308 >MET?B 8 24.71 32.80 36.90 21.73 35.86 37.32 23.22 34.33 37.11 2 0 13.46 -999 ? O1 EDO B 308 >ILE~B 9 28.45 33.51 39.95 28.81 34.17 41.09 28.63 33.84 40.52 3 0 12.07 -999 ? O1 EDO B 308 >ASN~B 10 28.85 28.53 38.56 29.17 28.58 40.68 29.01 28.55 39.62 2 0 11.09 -999 ? O1 EDO B 308 >GLY~B 11 28.93 30.14 34.01 29.33 30.70 34.39 29.13 30.42 34.20 1 0 10.50 -999 ? O2 EDO B 309 >ILE~B 12 31.34 34.33 34.38 30.97 35.66 34.66 31.15 35.00 34.52 3 0 10.02 -999 ? O2 EDO B 309 >PRO~B 13 33.63 31.69 30.16 34.09 32.08 32.31 33.86 31.88 31.23 3 0 5.51 -999 ? O2 EDO B 309 >GLU~B 14 40.35 32.65 34.88 40.31 32.96 36.97 40.33 32.81 35.92 2 0 5.45 -999 ? O1 EDO B 309 >ASP~B 15 39.66 34.28 29.61 38.17 32.78 28.94 38.91 33.53 29.27 2 0 -3.66 -999 ? O2 EDO B 309s >PHE~B 16 34.78 36.95 29.69 33.94 35.76 27.30 34.36 36.36 28.49 3 0 8.36 -999 ? O2 EDO B 309 >LEU~B 17 39.48 41.18 32.80 41.30 40.05 33.20 40.39 40.61 33.00 3 0 11.05 -999 ? O2 EDO B 309 >VAL~B 18 36.57 43.93 34.35 35.53 44.45 36.23 36.05 44.19 35.29 3 0 10.80 -999 ? O2 EDO B 306 >ASP~B 19 38.03 45.92 30.21 38.94 44.02 29.72 38.48 44.97 29.97 2 0 8.64 -999 ? O2 EDO B 306 >GLU^B 20 36.58 50.31 30.29 38.23 51.51 30.86 37.41 50.91 30.57 2 0 -4.71 -999 ? O2 EDO B 306s >LEU^B 21 33.86 49.16 36.68 32.46 48.79 38.36 33.16 48.97 37.52 3 0 10.44 -999 ? C2 EDO B 306 >VAL^B 22 31.47 53.12 36.01 31.63 54.92 34.72 31.55 54.02 35.37 3 0 8.54 -999 ? C2 EDO B 306 >CYH^B 23 28.67 53.73 38.53 29.46 51.98 40.41 29.06 52.85 39.47 2 0 11.61 -999 ? N1 IMD B 305 >GLY~B 24 26.16 56.38 37.53 25.99 55.79 38.09 26.08 56.09 37.81 1 0 11.79 -999 ? N1 IMD B 305 >THR~B 25 23.00 57.53 39.34 22.75 59.65 38.72 22.88 58.59 39.03 2 0 12.11 -999 ? N1 IMD B 305 >THR~B 26 20.66 55.04 37.56 19.04 55.82 36.31 19.85 55.43 36.94 2 0 9.20 -999 ? N1 IMD B 305 >HIS^B 27 21.54 51.54 34.39 19.61 51.20 33.65 20.58 51.37 34.02 3 0 8.99 -999 ? N1 IMD B 305 >SER^B 28 26.34 50.57 36.91 26.56 50.21 39.25 26.45 50.39 38.08 2 0 8.82 -999 ? N1 IMD B 305 >VAL^B 29 28.04 49.50 33.68 28.29 50.80 31.87 28.17 50.15 32.78 3 0 7.89 -999 ? C2 EDO B 306 >ILE^B 30 31.08 45.91 33.88 31.75 45.11 34.87 31.41 45.51 34.37 3 0 9.57 -999 ? C2 EDO B 306 >ARG^B 31 34.53 47.90 26.60 37.56 47.56 26.96 36.05 47.73 26.78 2 0 -4.53 -999 ? O2 EDO B 306s >SER^B 32 34.68 43.17 29.41 35.08 40.92 30.28 34.88 42.05 29.84 2 0 10.89 -999 ? O2 EDO B 306 >GLY~B 33 36.33 43.03 26.00 35.67 43.48 26.27 36.00 43.25 26.14 1 0 8.54 -999 ? O2 EDO B 306 >ASN~B 34 33.52 42.80 22.12 35.38 42.87 21.07 34.45 42.84 21.59 2 0 9.81 -999 ? O1 EDO B 306 >GLY^B 35 30.70 43.08 25.89 31.26 43.64 26.12 30.98 43.36 26.00 1 0 9.15 -999 ? O1 EDO B 306 >VAL^B 36 28.88 45.58 28.03 28.99 47.75 27.66 28.94 46.66 27.85 3 0 7.00 -999 ? C2 EDO B 306 >GLY^B 37 26.56 44.86 30.95 26.92 45.59 30.99 26.74 45.22 30.97 1 0 10.54 -999 ? C2 EDO B 306 >LEU^B 38 23.20 47.72 32.23 23.38 49.21 30.73 23.29 48.46 31.48 3 0 11.70 -999 ? C2 EDO B 306 >GLY^B 39 22.79 46.83 36.57 22.84 47.61 36.24 22.82 47.22 36.40 1 0 7.59 -999 ? N1 IMD B 305 >PRO^B 40 18.75 47.18 38.19 20.51 48.56 37.79 19.63 47.87 37.99 3 0 -4.70 -999 ? N1 IMD B 305s >ASN~B 41 22.15 52.76 40.54 24.07 51.98 40.95 23.11 52.37 40.75 2 0 6.57 -999 ? N1 IMD B 305 >ARG~B 42 16.06 51.96 44.71 14.70 49.27 45.58 15.38 50.61 45.15 2 0 -3.54 -999 ? N3 IMD B 305s >PRO~B 43 17.99 58.31 41.94 19.62 57.13 43.02 18.80 57.72 42.48 3 0 8.78 -999 ? N1 IMD B 305 >PHE~B 44 17.61 56.55 47.59 16.13 54.17 47.34 16.87 55.36 47.46 3 0 7.70 -999 ? C5 IMD B 305 >GLU~B 45 20.55 52.76 47.31 19.85 51.25 45.99 20.20 52.00 46.65 2 0 -3.44 -999 ? C5 IMD B 305s >THR~B 46 25.61 55.21 48.86 25.92 55.36 51.06 25.77 55.28 49.96 2 0 12.13 -999 ? C5 IMD B 305 >ARG~B 47 26.97 55.25 43.46 23.91 55.53 43.11 25.44 55.39 43.29 2 0 8.42 -999 ? C5 IMD B 305 >MET?B 48 31.63 53.26 46.58 29.64 49.83 47.97 30.64 51.54 47.27 2 0 11.73 -999 ? C5 IMD B 305 >PRO~B 49 34.06 56.64 46.03 34.18 54.52 45.31 34.12 55.58 45.67 3 0 16.87 -999 ? C5 IMD B 305 >MET?B 50 37.36 52.33 46.36 39.67 54.61 47.08 38.51 53.47 46.72 2 0 20.55 -999 ? O2 EDO B 306 >LEU~B 51 34.01 48.79 45.94 33.01 46.86 45.81 33.51 47.83 45.88 3 0 14.96 -999 ? C5 IMD B 305 >THR~B 52 35.06 50.39 42.01 33.68 51.82 41.09 34.37 51.10 41.55 2 0 13.63 -999 ? C2 EDO B 306 >GLN~B 53 39.85 53.41 41.67 40.83 54.86 42.93 40.34 54.13 42.30 2 0 16.99 -999 ? O2 EDO B 306 >ASN~B 54 39.18 47.32 44.68 40.73 47.51 46.12 39.95 47.41 45.40 2 0 20.02 -999 ? O2 EDO B 306 >LEU~B 55 35.86 45.78 40.87 34.57 44.76 42.24 35.22 45.27 41.56 3 0 15.52 -999 ? O2 EDO B 306 >LEU~B 56 39.60 48.47 37.63 38.43 50.10 36.79 39.02 49.28 37.21 3 0 10.85 -999 ? O2 EDO B 306 >GLY~B 57 41.25 44.33 36.17 40.63 44.11 36.63 40.94 44.22 36.40 1 0 12.87 -999 ? O2 EDO B 306 >LEU~B 58 39.06 41.64 39.55 39.96 41.68 41.51 39.51 41.66 40.53 3 0 14.57 -999 ? O1 EDO B 309 >PRO~B 59 39.64 37.15 37.76 38.47 38.92 37.04 39.06 38.04 37.40 3 0 10.03 -999 ? O1 EDO B 309 >LEU~B 60 33.62 38.91 34.56 32.77 40.36 33.30 33.20 39.63 33.93 3 0 11.75 -999 ? O2 EDO B 309 >ARG~B 61 34.96 32.27 37.76 34.21 29.31 37.26 34.59 30.79 37.51 2 0 7.42 -999 ? C1 EDO B 309 >VAL~B 62 35.03 37.36 40.84 37.02 37.29 41.68 36.03 37.33 41.26 3 0 12.64 -999 ? O1 EDO B 309 >ALA~B 63 33.28 40.76 40.44 33.48 41.68 39.27 33.38 41.22 39.85 2 0 15.47 -999 ? O2 EDO B 309 >ALA~B 64 30.02 38.89 39.83 29.88 37.76 38.85 29.95 38.32 39.34 2 0 14.41 -999 ? O2 EDO B 309 >GLY~B 65 30.20 37.68 43.47 30.00 38.42 43.16 30.10 38.05 43.31 1 0 13.68 -999 ? O1 EDO B 308 >CYH~B 66 29.21 41.24 44.38 31.52 42.85 44.11 30.36 42.05 44.25 2 0 14.13 -999 ? C5 IMD B 305 >VAL~B 67 25.67 40.50 43.14 24.63 39.02 41.84 25.15 39.76 42.49 3 0 11.23 -999 ? C5 IMD B 305 >LYS~B 68 24.86 38.97 46.57 26.62 33.00 46.35 25.74 35.98 46.46 2 0 7.21 -999 ? O1 EDO B 308 >SER~B 69 25.74 42.11 48.55 26.87 44.20 49.10 26.31 43.16 48.82 2 0 10.82 -999 ? C5 IMD B 305 >TRP~B 70 23.09 40.92 52.86 19.64 40.24 51.08 21.36 40.58 51.97 3 0 10.98 -999 ? O2 EDO B 308 >ASN~B 71 26.23 47.41 49.74 26.68 49.38 49.05 26.46 48.40 49.39 2 0 9.57 -999 ? C5 IMD B 305 >TYR~B 72 20.19 47.15 47.27 18.30 45.55 48.60 19.24 46.35 47.93 3 0 -4.23 -999 ? C4 IMD B 305s >VAL~B 73 25.30 49.69 44.67 26.13 51.69 44.75 25.72 50.69 44.71 3 0 7.26 -999 ? C5 IMD B 305 >GLU~B 74 29.08 45.03 46.32 30.14 44.52 48.07 29.61 44.77 47.19 2 0 12.96 -999 ? C5 IMD B 305 >ALA~B 75 24.98 44.35 44.02 23.66 44.16 44.77 24.32 44.25 44.39 2 0 6.91 -999 ? C5 IMD B 305 >SER~B 76 24.30 46.45 40.90 23.84 48.42 39.55 24.07 47.44 40.22 2 0 6.15 -999 ? N1 IMD B 305 >ILE~B 77 29.17 46.67 40.90 30.36 47.43 41.24 29.76 47.05 41.07 3 0 11.48 -999 ? C5 IMD B 305 >GLY~B 78 27.73 42.43 40.42 27.32 42.95 39.93 27.53 42.69 40.18 1 0 11.53 -999 ? N1 IMD B 305 >LEU~B 79 23.42 42.84 38.31 21.69 42.03 37.25 22.55 42.44 37.78 3 0 8.94 -999 ? C2 IMD B 305 >ALA~B 80 26.64 44.44 35.45 27.11 45.87 35.72 26.87 45.16 35.59 2 0 11.38 -999 ? N1 IMD B 305 >ALA~B 81 29.58 41.96 35.66 30.37 41.60 36.91 29.97 41.78 36.28 2 0 14.24 -999 ? C2 EDO B 306 >ILE~B 82 25.98 38.65 35.98 25.16 37.83 36.76 25.57 38.24 36.37 3 0 14.17 -999 ? C2 IMD B 305 >ASN~B 83 24.69 41.98 32.21 22.93 41.46 33.28 23.81 41.72 32.75 2 0 12.49 -999 ? C2 IMD B 305 >ALA~B 84 29.00 41.90 30.57 30.18 42.58 31.29 29.59 42.24 30.93 2 0 10.52 -999 ? C2 EDO B 306 >TYR~B 85 29.96 35.67 30.33 29.99 33.15 29.10 29.97 34.41 29.72 3 0 10.17 -999 ? O2 EDO B 309 >TYR~B 86 25.25 35.38 30.98 25.93 33.28 32.69 25.59 34.33 31.84 3 0 14.14 -999 ? O2 EDO B 309 >ASN~B 87 24.19 41.07 27.71 22.74 40.36 29.08 23.47 40.71 28.40 2 0 15.32 -999 ? O1 EDO B 310 >ASN~B 88 29.54 39.33 25.49 31.16 39.26 24.08 30.35 39.30 24.78 2 0 12.72 -999 ? O1 EDO B 306 >PRO~B 89 28.47 41.55 20.97 27.30 40.01 22.08 27.88 40.78 21.52 3 0 12.86 -999 ? O1 EDO B 306 >GLN~B 90 31.36 37.50 19.26 31.01 39.61 19.24 31.18 38.56 19.25 2 0 13.67 -999 ? O1 EDO B 306 >VAL~B 91 28.46 35.03 23.85 29.13 35.15 25.91 28.79 35.09 24.88 3 0 12.97 -999 ? O2 EDO B 309 >ALA~B 92 24.72 35.68 23.50 24.07 37.05 23.49 24.39 36.37 23.50 2 0 17.60 -999 ? O1 EDO B 306 >ARG~B 93 25.43 36.54 16.66 25.64 39.60 16.07 25.53 38.07 16.36 2 0 17.09 -999 ? O1 EDO B 306 >GLU~B 94 28.73 30.25 22.33 30.58 30.77 23.30 29.65 30.51 22.82 2 0 11.41 -999 ? O2 EDO B 309 >HIS~B 95 25.00 31.25 25.77 26.70 31.19 26.99 25.85 31.22 26.38 3 0 13.97 -999 ? O2 EDO B 309 >GLY~B 96 21.15 31.07 20.82 21.31 31.70 21.22 21.23 31.38 21.02 1 0 20.55 -999 ? O2 EDO B 309 >VAL~B 97 20.03 34.71 21.10 20.12 36.26 22.67 20.08 35.49 21.88 3 0 21.42 -999 ? O1 EDO B 306 >ILE~B 98 17.92 35.34 16.82 18.62 34.38 15.95 18.27 34.86 16.38 3 0 24.43 -999 ? O1 EDO B 306 >PHE~B 99 21.46 40.22 18.34 24.09 39.76 19.17 22.78 39.99 18.76 3 0 17.22 -999 ? O1 EDO B 306 >ALA~B 102 22.86 47.76 13.36 21.36 47.50 13.19 22.11 47.63 13.27 2 0 17.65 -999 ? O1 EDO B 306 >GLU~B 119 -0.01 32.77 25.60 1.96 32.14 26.10 0.97 32.45 25.85 2 0 22.17 -999 ? C1 EDO B 310 >VAL~B 120 -2.43 36.98 28.03 -0.90 38.57 28.15 -1.66 37.77 28.09 3 0 19.56 -999 ? C1 EDO B 310 >GLY~B 122 -8.42 37.78 29.42 -7.66 37.72 29.59 -8.04 37.75 29.50 1 0 24.29 -999 ? C1 EDO B 310 >LYS^B 124 -4.66 37.60 35.32 -6.73 33.53 39.28 -5.69 35.56 37.30 2 0 21.12 -999 ? C5 IMD B 302 >VAL^B 125 -1.30 39.34 34.78 -0.66 39.76 32.71 -0.98 39.55 33.75 3 0 15.86 -999 ? C5 IMD B 302 >GLY^B 126 1.02 40.59 37.52 1.33 40.45 36.73 1.17 40.52 37.12 1 0 11.94 -999 ? C5 IMD B 302 >VAL^B 127 3.84 43.02 36.74 3.91 44.11 34.84 3.87 43.56 35.79 3 0 9.60 -999 ? O2 EDO B 310 >VAL^B 128 6.51 43.82 39.38 7.08 42.50 41.03 6.80 43.16 40.21 3 0 -5.13 -999 ? C5 IMD B 302s >GLY~B 129 8.34 47.01 38.48 7.49 47.04 38.35 7.92 47.03 38.42 1 0 -3.50 -999 ? O2 EDO B 310s >HIS~B 130 7.60 52.78 36.65 6.84 54.52 35.78 7.22 53.65 36.21 3 0 -5.82 -999 ? C2 EDO B 310s >PHE~B 131 8.49 47.34 33.15 10.67 46.04 34.23 9.58 46.69 33.69 3 0 4.48 -999 ? C1 EDO B 310 >PRO~B 132 6.77 53.75 31.91 5.49 51.86 31.75 6.13 52.81 31.83 3 0 8.41 -999 ? C2 EDO B 310 >HIS~B 133 5.82 50.76 25.55 5.20 50.68 23.54 5.51 50.72 24.54 3 0 14.10 -999 ? C1 EDO B 310 >LEU~B 134 5.12 46.54 29.91 5.34 44.38 29.77 5.23 45.46 29.84 3 0 10.28 -999 ? C1 EDO B 310 >GLU~B 135 2.16 49.78 33.51 2.17 51.52 34.76 2.17 50.65 34.13 2 0 9.75 -999 ? O2 EDO B 310 >SER~B 136 -0.43 50.29 28.28 1.28 51.21 26.82 0.42 50.75 27.55 2 0 14.90 -999 ? C1 EDO B 310 >LEU~B 138 -0.61 44.36 29.87 0.96 42.85 29.69 0.17 43.61 29.78 3 0 14.68 -999 ? C1 EDO B 310 >GLU~B 139 -5.16 48.84 32.11 -5.25 47.80 33.98 -5.21 48.32 33.04 2 0 16.79 -999 ? CL CL B 301 >PRO~B 140 -5.47 48.51 26.86 -6.32 47.09 28.37 -5.89 47.80 27.62 3 0 20.13 -999 ? C1 EDO B 310 >ILE~B 141 -5.70 42.89 26.11 -4.46 43.08 25.35 -5.08 42.98 25.73 3 0 21.16 -999 ? C1 EDO B 310 >CYH~B 142 -6.28 41.60 30.66 -3.46 41.87 31.09 -4.87 41.73 30.88 2 0 17.83 -999 ? C1 EDO B 310 >ASP^B 143 -7.61 40.71 35.18 -7.92 41.26 37.24 -7.76 40.98 36.21 2 0 19.59 -999 ? CL CL B 301 >LEU^B 144 -3.01 44.67 34.17 -0.94 45.22 33.66 -1.98 44.94 33.92 3 0 14.42 -999 ? O2 EDO B 310 >SER^B 145 -1.97 44.21 38.61 -3.45 42.83 39.91 -2.71 43.52 39.26 2 0 14.47 -999 ? CL CL B 301 >ILE^B 146 1.22 47.75 38.19 1.33 48.58 37.27 1.27 48.17 37.73 3 0 9.27 -999 ? CL CL B 301 >LEU^B 147 3.61 44.66 42.51 2.22 43.01 42.76 2.92 43.83 42.63 3 0 7.84 -999 ? C5 IMD B 302 >GLU^B 148 4.93 50.67 41.42 4.33 51.53 39.54 4.63 51.10 40.48 2 0 -6.39 -999 ? CL CL B 301s >TRP~B 149 10.55 52.49 46.23 12.06 50.29 49.14 11.30 51.39 47.68 3 0 -6.82 -999 ? CL CL B 301s >SER~B 150 6.63 53.43 45.05 6.75 55.81 45.43 6.69 54.62 45.24 2 0 8.57 -999 ? CL CL B 301 >PRO~B 151 2.58 51.96 45.56 3.79 52.89 43.91 3.19 52.43 44.73 3 0 8.09 -999 ? CL CL B 301 >GLU~B 152 2.84 55.74 39.76 3.37 56.00 37.74 3.11 55.87 38.75 2 0 9.93 -999 ? O2 EDO B 310 >GLY~B 154 -4.19 52.20 40.94 -3.37 52.26 41.00 -3.78 52.23 40.97 1 0 -14.31 -999 ? CL CL B 301s >ASP~B 155 0.36 50.73 41.12 0.16 51.37 39.09 0.26 51.05 40.10 2 0 10.20 -999 ? CL CL B 301 >TYR^B 156 -1.49 46.19 44.22 -4.11 45.49 43.70 -2.80 45.84 43.96 3 0 -13.00 -999 ? CL CL B 301s >PRO^B 157 1.70 48.49 48.66 2.49 48.38 46.62 2.09 48.43 47.64 3 0 9.26 -999 ? C5 IMD A 304 >LEU~B 158 7.10 45.55 46.88 8.36 46.07 45.17 7.73 45.81 46.03 3 0 -4.25 -999 ? C5 IMD B 302s >PRO~B 159 4.99 45.35 51.16 4.55 44.00 49.44 4.77 44.67 50.30 3 0 7.85 -999 ? C4 IMD A 303 >ALA~B 160 1.05 42.78 47.82 0.24 43.79 47.05 0.65 43.28 47.43 2 0 11.21 -999 ? C5 IMD B 302 >SER~B 161 3.23 40.23 45.88 5.24 40.10 47.20 4.24 40.16 46.54 2 0 8.32 -999 ? C5 IMD B 302 >GLU~B 162 4.17 37.97 50.38 5.13 36.08 50.57 4.65 37.02 50.47 2 0 12.46 -999 ? C4 IMD A 303 >PHE~B 163 -1.83 39.63 50.12 -1.43 39.85 52.81 -1.63 39.74 51.46 3 0 12.97 -999 ? N3 IMD A 303 >ILE~B 164 -1.20 40.17 43.62 -1.57 41.39 43.02 -1.39 40.78 43.32 3 0 12.74 -999 ? C5 IMD B 302 >LEU~B 165 2.69 36.87 42.61 3.85 38.54 41.72 3.27 37.71 42.17 3 0 10.26 -999 ? C4 IMD B 302 >PRO~B 166 0.67 33.75 45.71 0.19 33.94 43.52 0.43 33.84 44.61 3 0 14.95 -999 ? C4 IMD B 302 >GLU~B 167 -4.58 34.92 43.58 -5.83 36.45 44.35 -5.20 35.69 43.97 2 0 18.57 -999 ? C5 IMD B 302 >CYH~B 168 -1.58 35.24 38.29 -0.85 37.85 39.05 -1.21 36.54 38.67 2 0 14.09 -999 ? C5 IMD B 302 >ASP~B 169 -2.68 33.29 34.00 -4.59 32.85 34.91 -3.64 33.07 34.45 2 0 21.08 -999 ? C5 IMD B 302 >TYR^B 170 0.63 35.03 31.30 -0.29 33.18 29.46 0.17 34.11 30.38 3 0 19.59 -999 ? C4 IMD B 302 >VAL^B 171 4.02 37.26 35.62 4.22 36.69 37.76 4.12 36.97 36.69 3 0 11.91 -999 ? C4 IMD B 302 >TYR^B 172 5.55 40.48 32.34 4.30 39.56 30.03 4.93 40.02 31.18 3 0 12.55 -999 ? C1 EDO B 310 >ILE^B 173 9.88 39.51 37.92 9.90 38.69 39.05 9.89 39.10 38.48 3 0 6.78 -999 ? C4 IMD B 302 >THR^B 174 11.87 43.53 36.81 12.29 45.19 38.18 12.08 44.36 37.50 2 0 -2.78 -999 ? O1 EDO B 310s >CYH~B 175 15.53 42.52 36.68 16.57 44.44 34.99 16.05 43.48 35.83 2 0 5.94 -999 ? O1 EDO B 310 >ALA~B 176 16.06 44.93 39.65 15.39 46.28 39.88 15.72 45.60 39.76 2 0 3.58 -999 ? C2 IMD B 305s >SER~B 177 14.73 41.96 41.64 13.85 40.31 40.06 14.29 41.14 40.85 2 0 -4.96 -999 ? N3 IMD B 302s >VAL~B 178 18.12 40.31 41.10 19.20 39.51 39.35 18.66 39.91 40.23 3 0 7.80 -999 ? N3 IMD B 302 >VAL~B 179 19.88 43.26 42.71 20.60 45.19 41.95 20.24 44.23 42.33 3 0 4.86 -999 ? N3 IMD B 305 >ASP~B 180 16.49 44.56 45.86 14.74 44.02 44.84 15.62 44.29 45.35 2 0 -2.83 -999 ? N3 IMD B 302s >LYS~B 181 17.30 39.74 46.28 22.00 41.65 46.36 19.65 40.69 46.32 2 0 7.93 -999 ? C4 IMD B 305 >THR~B 182 13.47 39.74 46.01 12.75 41.78 45.74 13.11 40.76 45.87 2 0 -3.54 -999 ? C4 IMD B 302s >LEU~B 183 14.87 37.50 41.91 14.60 36.70 39.87 14.74 37.10 40.89 3 0 7.68 -999 ? N3 IMD B 302 >PRO~B 184 16.06 34.61 45.40 14.00 34.75 44.51 15.03 34.68 44.96 3 0 9.22 -999 ? C2 EDO B 308 >ARG~B 185 8.73 34.18 48.98 6.47 32.46 50.07 7.60 33.32 49.53 2 0 14.08 -999 ? C2 EDO B 308 >LEU~B 186 9.35 37.48 42.95 8.99 39.56 43.53 9.17 38.52 43.24 3 0 5.75 -999 ? C4 IMD B 302 >LEU~B 187 11.01 32.55 41.18 12.19 33.42 39.55 11.60 32.99 40.37 3 0 11.14 -999 ? C4 IMD B 302 >GLU~B 188 8.19 29.81 46.72 8.24 27.77 46.09 8.21 28.79 46.41 2 0 12.88 -999 ? C2 EDO B 308 >LEU~B 189 4.95 34.47 45.06 4.96 35.32 47.07 4.95 34.90 46.07 3 0 11.42 -999 ? C4 IMD B 302 >SER~B 190 4.70 32.91 40.85 5.49 35.21 40.57 5.09 34.06 40.71 2 0 10.77 -999 ? C4 IMD B 302 >ARG~B 191 6.05 27.01 43.45 3.85 27.28 45.61 4.95 27.15 44.53 2 0 17.23 -999 ? C2 EDO B 308 >ASN~B 192 1.03 27.84 40.23 1.59 26.46 41.77 1.31 27.15 41.00 2 0 19.99 -999 ? C4 IMD B 302 >ALA~B 193 2.11 30.83 36.52 2.95 32.09 36.50 2.53 31.46 36.51 2 0 15.92 -999 ? C4 IMD B 302 >ARG~B 194 -1.51 30.16 31.06 -4.37 30.43 29.99 -2.94 30.30 30.53 2 0 24.53 -999 ? C4 IMD B 302 >ARG^B 195 6.07 33.61 28.81 6.58 31.54 26.55 6.32 32.57 27.68 2 0 20.77 -999 ? C1 EDO B 310 >ILE^B 196 7.91 33.65 35.58 7.94 33.45 36.95 7.93 33.55 36.27 3 0 12.82 -999 ? C4 IMD B 302 >THR^B 197 9.40 36.68 32.41 8.76 37.43 30.44 9.08 37.05 31.42 2 0 13.39 -999 ? C1 EDO B 310 >LEU^B 198 13.74 37.97 34.17 14.93 38.52 35.93 14.34 38.25 35.05 3 0 9.98 -999 ? N3 IMD B 302 >VAL^B 199 12.39 42.07 32.20 10.37 42.47 31.50 11.38 42.27 31.85 3 0 8.22 -999 ? C1 EDO B 310 >GLY~B 200 14.63 45.08 31.74 14.99 44.43 31.39 14.81 44.75 31.56 1 0 6.88 -999 ? C1 EDO B 310 >PRO~B 201 17.23 48.41 30.89 17.42 46.20 30.87 17.33 47.30 30.88 3 0 8.22 -999 ? C1 EDO B 310 >GLY~B 202 19.77 44.43 33.56 19.19 44.08 33.16 19.48 44.26 33.36 1 0 8.97 -999 ? O1 EDO B 310 >THR~B 203 18.32 41.06 32.58 16.20 40.57 32.00 17.26 40.81 32.29 2 0 10.01 -999 ? O1 EDO B 310 >PRO~B 204 21.11 38.25 34.40 20.52 38.83 32.34 20.81 38.54 33.37 3 0 13.18 -999 ? O1 EDO B 310 >LEU~B 205 20.74 37.29 27.38 19.57 38.98 26.57 20.15 38.14 26.97 3 0 16.41 -999 ? O1 EDO B 310 >ALA~B 206 21.43 33.37 30.42 21.98 33.66 31.81 21.70 33.51 31.12 2 0 17.44 -999 ? O2 EDO B 309 >PRO~B 207 20.53 30.46 27.33 19.92 30.80 29.46 20.22 30.63 28.39 3 0 18.94 -999 ? O2 EDO B 309 >VAL~B 208 20.51 28.55 32.70 22.05 28.80 34.28 21.28 28.67 33.49 3 0 15.13 -999 ? O1 EDO B 308 >LEU~B 209 17.60 32.24 34.09 18.69 33.79 35.22 18.15 33.02 34.65 3 0 14.92 -999 ? N3 IMD B 302 >PHE~B 210 15.13 29.34 30.14 14.96 31.51 28.41 15.04 30.43 29.27 3 0 19.52 -999 ? N3 IMD B 302 >GLU~B 211 18.39 24.89 33.61 17.23 24.34 31.93 17.81 24.61 32.77 2 0 17.71 -999 ? O1 EDO B 308 >HIS~B 212 18.09 28.06 38.45 19.71 26.83 38.97 18.90 27.45 38.71 3 0 10.28 -999 ? O1 EDO B 308 >GLY~B 213 11.94 28.91 37.44 12.43 29.29 36.95 12.19 29.10 37.20 1 0 14.65 -999 ? O1 EDO B 308 >LEU~B 214 12.98 32.51 34.50 13.19 34.36 35.61 13.08 33.43 35.06 3 0 13.21 -999 ? C4 IMD B 302 >GLN~B 215 8.81 29.06 32.06 8.40 29.62 34.07 8.61 29.34 33.06 2 0 17.08 -999 ? C4 IMD B 302 >GLU^B 216 10.25 35.71 27.70 8.41 36.40 26.94 9.33 36.06 27.32 2 0 16.23 -999 ? C1 EDO B 310 >LEU^B 217 15.44 36.17 29.59 16.41 34.86 31.08 15.93 35.51 30.34 3 0 14.85 -999 ? O1 EDO B 310 >SER^B 218 13.30 40.08 27.92 11.66 41.68 27.13 12.48 40.88 27.52 2 0 12.06 -999 ? C1 EDO B 310 >GLY^B 219 16.45 42.16 27.95 16.15 42.12 27.22 16.30 42.14 27.58 1 0 11.99 -999 ? C1 EDO B 310 >PHE^B 220 19.19 46.78 26.23 20.22 49.07 25.09 19.71 47.93 25.66 3 0 13.71 -999 ? C1 EDO B 310 >MET?B 221 21.88 44.03 23.84 24.35 42.24 22.82 23.12 43.14 23.33 2 0 13.49 -999 ? O1 EDO B 306 >VAL^B 222 24.29 46.97 23.89 25.38 48.10 25.44 24.84 47.53 24.67 3 0 9.82 -999 ? O1 EDO B 306 >LYS~B 223 25.42 47.68 20.30 21.02 46.22 16.35 23.22 46.95 18.33 2 0 16.35 -999 ? O1 EDO B 306 >ASP~B 224 26.41 52.22 20.57 27.65 53.94 20.22 27.03 53.08 20.39 2 0 8.10 -999 ? O1 EDO B 306 >ASN~B 225 30.79 49.59 23.87 30.40 47.49 23.70 30.60 48.54 23.79 2 0 -5.52 -999 ? O1 EDO B 306s >ALA~B 226 30.91 54.06 24.04 31.53 54.78 22.89 31.22 54.42 23.46 2 0 -4.39 -999 ? O1 EDO B 306s >ARG~B 227 24.30 56.39 21.99 25.57 58.62 20.26 24.93 57.51 21.13 2 0 11.58 -999 ? C1 EDO B 306 >ALA~B 228 26.35 53.20 26.85 26.47 51.65 26.87 26.41 52.42 26.86 2 0 6.88 -999 ? C1 EDO B 306 >PHE~B 229 31.15 52.99 29.49 31.86 50.65 30.83 31.51 51.82 30.16 3 0 -3.54 -999 ? C2 EDO B 306s >ARG~B 230 29.85 59.76 25.15 29.22 58.32 22.52 29.53 59.04 23.83 2 0 8.10 -999 ? C1 EDO B 306 >ILE~B 231 23.72 56.62 28.57 22.58 56.25 27.87 23.15 56.44 28.22 3 0 11.10 -999 ? C1 EDO B 306 >VAL~B 232 25.77 56.08 32.51 25.91 53.98 33.16 25.84 55.03 32.84 3 0 10.17 -999 ? C2 EDO B 306 >ALA~B 233 28.73 58.43 33.15 30.11 58.42 32.39 29.42 58.42 32.77 2 0 9.12 -999 ? C2 EDO B 306 >GLY~B 234 26.12 61.22 33.56 26.29 60.99 32.79 26.20 61.11 33.17 1 0 13.55 -999 ? C1 EDO B 306 >ALA~B 235 26.55 62.76 30.07 27.97 62.96 29.47 27.26 62.86 29.77 2 0 12.29 -999 ? C1 EDO B 306 >GLU~B 236 23.09 61.27 25.97 23.85 60.08 24.34 23.47 60.68 25.16 2 0 12.33 -999 ? C1 EDO B 306 >VAL~B 238 18.67 59.67 28.38 19.70 59.91 26.41 19.18 59.79 27.40 3 0 15.98 -999 ? C1 EDO B 306 >ILE~B 240 20.24 52.34 29.20 20.90 51.92 28.96 20.57 52.13 29.08 3 0 12.16 -999 ? C1 EDO B 310 >TYR~B 241 15.66 51.02 26.40 14.54 49.67 28.57 15.10 50.34 27.48 3 0 10.09 -999 ? C1 EDO B 310 >SER~B 242 19.32 54.34 22.73 20.23 56.20 24.06 19.77 55.27 23.39 2 0 13.78 -999 ? C1 EDO B 306 >ALA~B 243 22.64 52.36 22.91 23.48 52.40 24.17 23.06 52.38 23.54 2 0 10.01 -999 ? C1 EDO B 306 >GLY^B 244 21.28 48.99 21.69 20.64 49.47 21.69 20.96 49.23 21.69 1 0 13.17 -999 ? O1 EDO B 306 >GLN^B 245 17.84 44.96 19.04 18.62 43.92 17.33 18.23 44.44 18.18 2 0 18.66 -999 ? O1 EDO B 306 >LYS^B 246 15.77 44.90 22.95 11.08 48.69 25.05 13.42 46.79 24.00 2 0 11.91 -999 ? C1 EDO B 310 >VAL^B 247 16.11 41.10 22.80 18.30 41.03 22.77 17.21 41.07 22.79 3 0 16.92 -999 ? C1 EDO B 310 >THR^B 248 14.01 38.29 24.22 11.90 38.70 24.64 12.95 38.50 24.43 2 0 15.85 -999 ? C1 EDO B 310 >ILE^B 249 16.01 33.95 24.78 17.43 34.03 25.00 16.72 33.99 24.89 3 0 19.43 -999 ? O1 EDO B 310 >LYS~B 251 12.40 28.53 27.27 11.74 24.73 32.28 12.07 26.63 29.78 2 0 19.37 -999 ? O1 EDO B 308