REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-FEB-08 3CEW COMPND UNCHARACTERIZED CUPIN PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; SOURCE 3 ORGANISM_TAXID: 272559; SOURCE 4 STRAIN: NCTC 9343; SOURCE 5 ATCC: 25285; SOURCE 6 GENE: BF4112; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,Y.CHEN,J.SEETHARAMAN,L.MAO,R.XIAO,C.CICCOSANTI,E.L.FOOTE, AUTHOR 2 M.MAGLAQUI,H.WANG,M.C.BARAN,T.B.ACTON,G.T.MONTELIONE,J.F.HUNT, AUTHOR 3 L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 7 8 HET MSE A 111 8 HET MSE B 1 8 HET MSE B 7 8 HET MSE B 111 8 HET MSE C 1 8 HET MSE C 7 8 HET MSE C 111 8 HET MSE D 1 8 HET MSE D 7 8 HET MSE D 111 8 HET ZN A 201 1 HET ZN B 201 1 HET ZN C 201 1 HET ZN D 201 1 SITE 1 AC1 3 HIS A 43 HIS A 45 GLU A 50 SITE 1 AC2 3 HIS B 43 HIS B 45 GLU B 50 SITE 1 AC3 3 HIS C 43 HIS C 45 GLU C 50 SITE 1 AC4 3 HIS D 43 HIS D 45 GLU D 50 >MET?A 1 60.31 39.92 89.58 58.27 43.06 89.81 59.29 41.49 89.69 2 0 19.20 -999 ? ZN ZN B 201 >LYS.A 2 57.91 38.54 86.96 60.04 33.64 87.39 58.98 36.09 87.18 2 0 20.47 -999 ? ZN ZN B 201 >ASN.A 3 57.16 40.56 82.65 59.05 41.51 82.47 58.11 41.03 82.56 2 0 13.79 -999 ? ZN ZN B 201 >TYR^A 4 52.80 37.21 84.62 53.21 34.72 85.84 53.00 35.96 85.23 3 0 14.86 -999 ? ZN ZN B 201 >GLN^A 5 51.57 40.83 89.54 51.20 42.49 90.82 51.39 41.66 90.18 2 0 18.15 -999 ? ZN ZN B 201 >LYS^A 6 47.52 36.92 87.88 45.55 31.74 87.06 46.54 34.33 87.47 2 0 18.73 -999 ? ZN ZN B 201 >MET?A 7 44.41 36.36 89.97 42.87 40.20 91.05 43.64 38.28 90.51 2 0 18.74 -999 ? ZN ZN A 201 >SER^A 8 41.08 34.59 89.75 42.05 32.42 89.29 41.57 33.51 89.52 2 0 21.05 -999 ? ZN ZN B 201 >VAL.A 9 37.68 36.15 90.28 37.38 38.26 89.86 37.53 37.21 90.07 3 0 19.39 -999 ? ZN ZN A 201 >ALA.A 10 34.54 34.21 91.23 33.94 34.15 92.64 34.24 34.18 91.94 2 0 22.42 -999 ? ZN ZN A 201 >GLN.A 11 29.67 33.40 87.37 28.45 31.68 87.04 29.06 32.54 87.20 2 0 24.81 -999 ? ZN ZN A 201 >ASP.A 12 28.27 36.16 91.43 27.12 35.21 89.92 27.70 35.69 90.68 2 0 21.82 -999 ? ZN ZN A 201 >ALA.A 13 32.37 38.47 92.84 33.74 37.82 93.10 33.05 38.14 92.97 2 0 18.99 -999 ? ZN ZN A 201 >ARG.A 14 29.08 43.34 94.16 26.25 42.04 94.51 27.67 42.69 94.34 2 0 17.13 -999 ? ZN ZN A 201 >VAL^A 15 36.26 43.44 93.08 37.01 41.40 92.93 36.64 42.42 93.01 3 0 14.97 -999 ? ZN ZN A 201 >GLU^A 16 37.48 48.17 92.67 37.08 48.95 94.59 37.28 48.56 93.63 2 0 10.61 -999 ? ZN ZN A 201 >LEU~A 17 41.83 44.54 88.65 40.34 43.08 88.07 41.08 43.81 88.36 3 0 14.43 -999 ? ZN ZN A 201 >HIS~A 18 44.96 50.46 90.74 46.64 51.70 90.94 45.80 51.08 90.84 3 0 13.75 -999 ? ZN ZN A 201 >ASP~A 19 45.25 47.58 95.21 45.01 49.68 95.44 45.13 48.63 95.33 2 0 15.39 -999 ? ZN ZN A 201 >SER~A 20 45.49 43.40 93.51 43.38 42.81 94.56 44.44 43.10 94.03 2 0 17.96 -999 ? ZN ZN A 201 >LEU~A 21 46.43 43.23 88.84 45.54 41.40 88.10 45.98 42.32 88.47 3 0 16.08 -999 ? ZN ZN B 201 >ALA~A 22 49.32 46.50 90.70 50.73 45.96 91.00 50.02 46.23 90.85 2 0 18.48 -999 ? ZN ZN B 201 >LEU.A 23 46.47 48.25 87.18 45.30 46.62 86.38 45.89 47.43 86.78 3 0 15.03 -999 ? ZN ZN B 201 >THR.A 24 49.65 51.40 86.49 51.65 50.65 86.10 50.65 51.03 86.30 2 0 15.41 -999 ? ZN ZN B 201 >GLY.A 25 47.60 52.35 83.46 47.16 52.01 84.03 47.38 52.18 83.74 1 0 14.16 -999 ? ZN ZN B 201 >ALA.A 26 44.05 51.74 84.61 43.45 50.96 83.45 43.75 51.35 84.03 2 0 11.99 -999 ? ZN ZN A 201 >GLU^A 27 39.97 51.05 89.19 40.64 49.39 90.37 40.30 50.22 89.78 2 0 10.21 -999 ? ZN ZN A 201 >VAL^A 28 39.24 47.75 86.40 39.70 46.35 84.81 39.47 47.05 85.60 3 0 11.00 -999 ? ZN ZN A 201 >SER^A 29 36.17 47.05 88.46 34.64 48.93 88.28 35.40 47.99 88.37 2 0 7.20 -999 ? ZN ZN A 201 >ILE^A 30 34.60 42.58 88.09 35.10 41.39 87.44 34.85 41.99 87.77 3 0 14.08 -999 ? ZN ZN A 201 >ASN^A 31 30.29 45.88 89.85 28.88 46.21 91.43 29.58 46.04 90.64 2 0 11.43 -999 ? ZN ZN A 201 >HIS^A 32 27.35 40.94 89.91 28.10 39.89 91.56 27.73 40.41 90.73 3 0 16.86 -999 ? ZN ZN A 201 >LEU^A 33 23.06 45.78 89.96 24.00 47.71 90.20 23.53 46.74 90.08 3 0 13.73 -999 ? ZN ZN A 201 >PRO.A 34 20.60 43.10 93.37 21.12 42.60 91.26 20.86 42.85 92.31 3 0 18.75 -999 ? ZN ZN A 201 >ALA.A 35 17.25 42.70 89.42 16.21 41.62 89.15 16.73 42.16 89.28 2 0 22.44 -999 ? ZN ZN A 201 >GLY.A 36 15.63 46.03 90.25 16.41 45.92 90.32 16.02 45.97 90.29 1 0 20.52 -999 ? ZN ZN A 201 >ALA.A 37 18.79 47.43 91.81 19.67 46.53 92.66 19.23 46.98 92.24 2 0 17.41 -999 ? ZN ZN A 201 >GLY.A 38 21.25 50.09 90.67 21.27 50.08 91.50 21.26 50.09 91.09 1 0 13.83 -999 ? ZN ZN A 201 >VAL.A 39 24.09 52.39 91.70 26.05 52.84 90.88 25.07 52.61 91.29 3 0 9.70 -999 ? ZN ZN A 201 >PRO.A 40 24.02 53.71 95.84 22.90 54.20 93.97 23.46 53.95 94.90 3 0 12.50 -999 ? ZN ZN A 201 >PHE.A 41 26.65 57.38 93.78 28.98 55.86 93.40 27.81 56.62 93.59 3 0 8.22 -999 ? ZN ZN A 201 >VAL^A 42 25.26 59.72 89.86 23.88 60.76 88.54 24.57 60.24 89.20 3 0 9.92 -999 ? ZN ZN A 201 >HIS^A 43 30.28 58.56 89.21 30.77 56.79 88.20 30.52 57.67 88.71 3 0 -3.50 -999 ? ZN ZN A 201s >SER^A 44 31.26 62.06 86.55 31.25 64.43 87.07 31.25 63.25 86.81 2 0 8.73 -999 ? ZN ZN A 201 >HIS^A 45 35.39 59.67 86.24 35.11 57.90 87.33 35.25 58.79 86.79 3 0 -3.46 -999 ? ZN ZN A 201s >LYS.A 46 37.71 64.87 86.49 38.76 66.26 92.59 38.23 65.57 89.54 2 0 12.64 -999 ? ZN ZN A 201 >GLN.A 47 42.32 62.86 85.23 44.38 63.41 85.40 43.35 63.13 85.32 2 0 13.45 -999 ? ZN ZN A 201 >ASN^A 48 39.38 58.70 84.68 41.21 58.52 85.75 40.29 58.61 85.22 2 0 8.43 -999 ? ZN ZN A 201 >GLU^A 49 37.64 57.16 78.17 38.70 57.05 76.32 38.17 57.10 77.25 2 0 12.49 -999 ? ZN ZN A 201 >GLU^A 50 34.48 54.61 83.63 33.79 55.41 85.48 34.14 55.01 84.55 2 0 -2.21 -999 ? ZN ZN A 201s >ILE^A 51 35.94 51.55 78.58 36.85 51.39 77.56 36.40 51.47 78.07 3 0 10.95 -999 ? ZN ZN A 201 >TYR^A 52 30.48 51.48 81.84 30.48 52.99 84.20 30.48 52.23 83.02 3 0 6.57 -999 ? ZN ZN A 201 >GLY^A 53 31.40 46.46 79.03 31.02 46.62 79.80 31.21 46.54 79.41 1 0 12.95 -999 ? ZN ZN A 201 >ILE^A 54 26.80 44.87 79.39 26.53 45.52 79.94 26.67 45.19 79.66 3 0 14.97 -999 ? ZN ZN A 201 >LEU^A 55 30.22 40.48 81.54 32.23 41.24 81.59 31.22 40.86 81.56 3 0 16.41 -999 ? ZN ZN A 201 >SER^A 56 25.82 39.49 81.28 26.33 38.94 83.58 26.07 39.22 82.43 2 0 18.87 -999 ? ZN ZN A 201 >GLY^A 57 22.17 40.21 81.91 22.61 40.49 81.29 22.39 40.35 81.60 1 0 20.16 -999 ? ZN ZN A 201 >LYS^A 58 20.54 43.46 80.92 14.67 41.35 79.63 17.60 42.40 80.27 2 0 25.05 -999 ? ZN ZN A 201 >GLY^A 59 19.64 46.86 82.27 19.82 46.98 81.47 19.73 46.92 81.87 1 0 17.33 -999 ? ZN ZN A 201 >PHE^A 60 17.44 50.54 81.62 15.14 49.10 80.87 16.29 49.82 81.24 3 0 19.24 -999 ? ZN ZN A 201 >ILE^A 61 23.90 53.13 81.61 25.13 53.58 80.99 24.52 53.36 81.30 3 0 11.17 -999 ? ZN ZN A 201 >THR^A 62 21.48 57.03 82.41 19.73 57.87 83.39 20.60 57.45 82.90 2 0 14.39 -999 ? ZN ZN A 201 >ILE^A 63 24.87 58.94 79.77 26.10 58.39 79.25 25.48 58.66 79.51 3 0 11.60 -999 ? ZN ZN A 201 >ASP.A 64 24.06 63.81 80.12 26.12 64.07 80.59 25.09 63.94 80.36 2 0 12.91 -999 ? ZN ZN A 201 >GLY.A 65 19.50 62.64 81.68 19.94 62.14 81.25 19.72 62.39 81.46 1 0 16.48 -999 ? ZN ZN A 201 >GLU^A 66 19.53 59.53 76.35 20.67 59.75 74.58 20.10 59.64 75.46 2 0 18.56 -999 ? ZN ZN A 201 >LYS^A 67 18.76 56.51 79.68 15.04 53.28 82.81 16.90 54.89 81.24 2 0 19.14 -999 ? ZN ZN A 201 >ILE^A 68 21.71 54.06 76.93 21.51 54.76 75.72 21.61 54.41 76.33 3 0 16.35 -999 ? ZN ZN A 201 >GLU^A 69 16.71 50.36 76.57 15.12 49.21 75.78 15.92 49.78 76.17 2 0 22.77 -999 ? ZN ZN A 201 >LEU^A 70 22.77 48.06 79.18 23.97 49.81 79.54 23.37 48.94 79.36 3 0 14.74 -999 ? ZN ZN A 201 >GLN^A 71 21.84 43.99 74.81 20.53 43.27 73.28 21.18 43.63 74.04 2 0 23.04 -999 ? ZN ZN A 201 >ALA.A 72 25.21 41.51 77.27 25.04 40.01 77.46 25.12 40.76 77.36 2 0 20.67 -999 ? ZN ZN A 201 >GLY.A 73 27.67 42.46 74.54 27.42 43.05 75.03 27.55 42.76 74.79 1 0 19.63 -999 ? ZN ZN A 201 >ASP^A 74 25.93 46.92 75.41 24.17 46.65 74.26 25.05 46.78 74.83 2 0 18.69 -999 ? ZN ZN A 201 >TRP^A 75 31.44 45.42 74.35 34.28 45.34 77.07 32.86 45.38 75.71 3 0 15.92 -999 ? ZN ZN A 201 >LEU^A 76 29.19 52.65 76.73 27.27 51.79 77.14 28.23 52.22 76.93 3 0 12.41 -999 ? ZN ZN A 201 >ARG^A 77 35.25 57.27 74.10 33.47 59.71 73.60 34.36 58.49 73.85 2 0 14.47 -999 ? ZN ZN A 201 >ILE^A 78 31.22 57.39 79.85 29.99 57.19 80.62 30.60 57.29 80.23 3 0 7.96 -999 ? ZN ZN A 201 >ALA.A 79 33.73 61.10 78.53 33.44 62.28 77.60 33.58 61.69 78.06 2 0 11.79 -999 ? ZN ZN A 201 >PRO.A 80 36.91 62.69 80.94 34.74 62.36 81.21 35.83 62.53 81.07 3 0 9.54 -999 ? ZN ZN A 201 >ASP.A 81 31.85 66.39 80.97 33.47 67.73 81.10 32.66 67.06 81.04 2 0 13.41 -999 ? ZN ZN A 201 >GLY.A 82 29.27 62.59 81.41 29.68 62.76 82.10 29.48 62.68 81.75 1 0 9.92 -999 ? ZN ZN A 201 >LYS.A 83 27.00 62.15 84.45 26.77 67.50 84.64 26.89 64.83 84.54 2 0 13.59 -999 ? ZN ZN A 201 >ARG^A 84 29.91 57.23 84.61 32.14 59.00 83.47 31.02 58.11 84.04 2 0 5.24 -999 ? ZN ZN A 201 >GLN^A 85 22.44 55.94 88.48 21.15 57.10 89.71 21.79 56.52 89.10 2 0 12.47 -999 ? ZN ZN A 201 >ILE^A 86 25.01 51.39 85.40 25.72 50.12 85.45 25.36 50.75 85.42 3 0 9.81 -999 ? ZN ZN A 201 >SER^A 87 21.10 49.94 87.00 19.12 51.14 86.22 20.11 50.54 86.61 2 0 15.12 -999 ? ZN ZN A 201 >ALA^A 88 19.85 46.41 86.38 19.94 45.28 87.40 19.89 45.85 86.89 2 0 17.18 -999 ? ZN ZN A 201 >ALA.A 89 16.64 45.58 84.57 16.50 44.62 83.39 16.57 45.10 83.98 2 0 20.77 -999 ? ZN ZN A 201 >SER.A 90 13.45 45.11 86.56 11.11 45.38 87.10 12.28 45.25 86.83 2 0 24.67 -999 ? ZN ZN A 201 >ASP.A 91 12.32 41.01 84.56 13.04 41.43 82.61 12.68 41.22 83.58 2 0 25.50 -999 ? ZN ZN A 201 >SER.A 92 17.03 40.73 85.40 18.63 40.18 83.66 17.83 40.45 84.53 2 0 21.97 -999 ? ZN ZN A 201 >PRO.A 93 20.68 38.98 87.00 19.81 41.01 86.76 20.25 40.00 86.88 3 0 20.70 -999 ? ZN ZN A 201 >ILE^A 94 22.99 44.28 84.64 23.35 45.61 84.27 23.17 44.95 84.46 3 0 15.36 -999 ? ZN ZN A 201 >GLY^A 95 27.04 42.11 85.21 26.75 42.58 84.54 26.90 42.34 84.87 1 0 15.44 -999 ? ZN ZN A 201 >PHE^A 96 28.45 46.63 84.96 27.75 47.97 87.32 28.10 47.30 86.14 3 0 10.27 -999 ? ZN ZN A 201 >LEU^A 97 34.07 45.24 82.67 35.10 43.38 82.93 34.59 44.31 82.80 3 0 12.67 -999 ? ZN ZN A 201 >CYH^A 98 34.22 49.50 84.28 31.92 50.42 85.65 33.07 49.96 84.97 2 0 6.07 -999 ? ZN ZN A 201 >ILE^A 99 38.09 49.84 81.47 38.79 48.96 80.61 38.44 49.40 81.04 3 0 10.57 -999 ? ZN ZN A 201 >GLN^A 100 38.48 55.31 86.01 38.20 55.47 88.12 38.34 55.39 87.06 2 0 4.88 -999 ? ZN ZN A 201 >VAL^A 101 41.82 55.28 82.18 41.58 54.03 80.38 41.70 54.66 81.28 3 0 10.52 -999 ? ZN ZN A 201 >LYS^A 102 43.24 58.79 81.93 47.79 63.12 82.68 45.52 60.96 82.31 2 0 16.81 -999 ? ZN ZN A 201 >ALA.A 103 41.53 60.47 78.98 40.35 61.44 79.10 40.94 60.95 79.04 2 0 12.26 -999 ? ZN ZN A 201 >GLY.A 104 43.87 61.32 76.10 44.06 60.81 76.68 43.96 61.07 76.39 1 0 16.44 -999 ? ZN ZN A 201 >SER.A 105 46.76 59.41 77.67 45.99 57.58 79.10 46.37 58.50 78.38 2 0 15.28 -999 ? ZN ZN A 201 >LEU.A 106 45.79 55.89 74.49 45.98 53.87 73.72 45.89 54.88 74.10 3 0 12.24 -999 ? ZN ZN B 201 >GLU.A 107 51.16 58.98 73.41 52.83 59.22 74.67 52.00 59.10 74.04 2 0 16.47 -999 ? ZN ZN B 201 >GLY.A 108 50.84 54.37 70.18 50.45 54.30 70.95 50.64 54.33 70.57 1 0 11.53 -999 ? ZN ZN B 201 >TYR~A 109 46.64 51.90 69.78 44.90 52.87 67.82 45.77 52.39 68.80 3 0 10.63 -999 ? ZN ZN B 201 >THR~A 110 48.90 47.67 68.58 46.93 47.04 67.93 47.92 47.36 68.26 2 0 6.64 -999 ? ZN ZN B 201 >MET?A 111 50.72 48.42 65.31 51.08 47.04 62.11 50.90 47.73 63.71 2 0 6.87 -999 ? ZN ZN C 201 >THR~A 112 52.41 51.44 66.83 51.14 53.08 66.20 51.78 52.26 66.52 2 0 11.97 -999 ? ZN ZN B 201 >ASP.A 113 52.40 50.27 71.26 53.32 50.25 73.18 52.86 50.26 72.22 2 0 8.06 -999 ? ZN ZN B 201 >GLY^A 114 53.53 46.06 69.86 54.01 46.59 69.42 53.77 46.32 69.64 1 0 5.80 -999 ? ZN ZN B 201 >VAL^A 115 56.86 44.36 69.14 58.71 45.31 69.78 57.79 44.83 69.46 3 0 9.16 -999 ? ZN ZN B 201 >VAL^A 116 56.99 40.94 67.48 55.98 40.19 65.69 56.49 40.57 66.59 3 0 9.78 -999 ? ZN ZN B 201 >GLN.A 117 60.31 38.44 71.11 59.76 40.49 71.35 60.03 39.46 71.23 2 0 10.81 -999 ? ZN ZN B 201 >LEU.A 118 63.22 36.58 66.22 63.57 37.88 64.53 63.39 37.23 65.37 3 0 16.94 -999 ? ZN ZN B 201 >MET?B 1 27.04 66.38 70.98 29.36 66.82 73.97 28.20 66.60 72.48 2 0 17.84 -999 ? ZN ZN A 201 >LYS.B 2 27.11 63.47 73.42 24.01 61.58 69.29 25.56 62.53 71.35 2 0 21.29 -999 ? ZN ZN A 201 >ASN.B 3 29.15 63.00 77.73 29.66 65.06 77.93 29.40 64.03 77.83 2 0 13.76 -999 ? ZN ZN A 201 >TYR^B 4 26.85 58.05 75.64 24.34 57.90 74.38 25.60 57.98 75.01 3 0 14.91 -999 ? ZN ZN A 201 >GLN^B 5 30.71 57.69 70.76 32.42 57.72 69.49 31.56 57.71 70.12 2 0 18.20 -999 ? ZN ZN A 201 >LYS^B 6 27.76 52.87 72.32 23.14 49.79 73.07 25.45 51.33 72.69 2 0 18.80 -999 ? ZN ZN A 201 >MET?B 7 27.93 49.75 70.17 32.03 49.13 69.15 29.98 49.44 69.66 2 0 18.69 -999 ? ZN ZN B 201 >SER^B 8 26.93 46.10 70.34 24.62 46.57 70.81 25.78 46.34 70.58 2 0 21.12 -999 ? ZN ZN A 201 >VAL.B 9 29.20 43.12 69.80 31.33 43.30 70.23 30.26 43.21 70.01 3 0 19.33 -999 ? ZN ZN B 201 >ALA.B 10 28.01 39.65 68.78 28.10 39.06 67.37 28.05 39.36 68.08 2 0 22.36 -999 ? ZN ZN B 201 >GLN.B 11 28.26 34.67 72.57 26.85 33.09 72.87 27.55 33.88 72.72 2 0 24.73 -999 ? ZN ZN B 201 >ASP.B 12 31.31 33.97 68.54 30.61 32.62 70.03 30.96 33.30 69.29 2 0 21.75 -999 ? ZN ZN B 201 >ALA.B 13 32.66 38.49 67.21 31.74 39.69 66.96 32.20 39.09 67.08 2 0 18.92 -999 ? ZN ZN B 201 >ARG.B 14 38.16 36.37 65.93 37.50 33.34 65.53 37.83 34.85 65.73 2 0 17.08 -999 ? ZN ZN B 201 >VAL^B 15 36.67 43.39 67.08 34.50 43.67 67.21 35.58 43.53 67.14 3 0 14.92 -999 ? ZN ZN B 201 >GLU^B 16 41.00 45.60 67.57 41.87 45.41 65.66 41.43 45.51 66.62 2 0 10.59 -999 ? ZN ZN B 201 >LEU~B 17 36.45 48.99 71.58 35.35 47.21 72.13 35.90 48.10 71.85 3 0 14.38 -999 ? ZN ZN B 201 >HIS~B 18 41.57 53.37 69.62 42.42 55.28 69.46 42.00 54.33 69.54 3 0 13.73 -999 ? ZN ZN B 201 >ASP~B 19 38.74 53.09 65.11 40.84 53.33 64.89 39.79 53.21 65.00 2 0 13.78 -999 ? ZN ZN C 201 >SER~B 20 34.59 52.40 66.74 34.47 50.22 65.67 34.53 51.31 66.20 2 0 17.95 -999 ? ZN ZN B 201 >LEU~B 21 34.17 53.22 71.43 32.59 51.92 72.12 33.38 52.57 71.77 3 0 16.17 -999 ? ZN ZN A 201 >ALA~B 22 36.75 56.76 69.63 35.93 58.04 69.34 36.34 57.40 69.48 2 0 18.53 -999 ? ZN ZN A 201 >LEU.B 23 39.05 54.31 73.14 37.69 52.82 73.93 38.37 53.57 73.53 3 0 15.10 -999 ? ZN ZN A 201 >THR.B 24 41.39 58.09 73.93 40.23 59.87 74.33 40.81 58.98 74.13 2 0 15.41 -999 ? ZN ZN A 201 >GLY.B 25 42.73 56.26 76.97 42.51 55.76 76.38 42.62 56.01 76.67 1 0 14.15 -999 ? ZN ZN A 201 >ALA.B 26 42.94 52.69 75.75 42.29 51.92 76.89 42.61 52.31 76.32 2 0 11.96 -999 ? ZN ZN B 201 >GLU^B 27 43.22 48.61 71.12 41.48 48.94 69.91 42.35 48.78 70.52 2 0 10.17 -999 ? ZN ZN B 201 >VAL^B 28 40.14 47.15 73.86 38.64 47.26 75.43 39.39 47.20 74.65 3 0 10.93 -999 ? ZN ZN B 201 >SER^B 29 40.15 44.02 71.75 42.33 42.95 71.96 41.24 43.48 71.85 2 0 7.12 -999 ? ZN ZN B 201 >ILE^B 30 36.13 41.50 72.03 34.85 41.72 72.66 35.49 41.61 72.35 3 0 14.01 -999 ? ZN ZN B 201 >ASN^B 31 40.31 38.05 70.29 40.96 36.77 68.70 40.63 37.41 69.50 2 0 11.38 -999 ? ZN ZN B 201 >HIS^B 32 36.15 34.09 70.12 34.97 34.61 68.46 35.56 34.35 69.29 3 0 16.80 -999 ? ZN ZN B 201 >LEU^B 33 41.81 30.97 70.10 43.48 32.32 69.90 42.64 31.64 70.00 3 0 13.69 -999 ? ZN ZN B 201 >PRO.B 34 39.78 28.03 66.62 39.15 28.40 68.73 39.47 28.21 67.67 3 0 18.71 -999 ? ZN ZN B 201 >ALA.B 35 40.07 24.61 70.54 39.24 23.37 70.78 39.66 23.99 70.66 2 0 22.40 -999 ? ZN ZN B 201 >GLY.B 36 43.69 23.79 69.73 43.41 24.52 69.67 43.55 24.16 69.70 1 0 20.48 -999 ? ZN ZN B 201 >ALA.B 37 44.39 27.20 68.22 43.33 27.88 67.36 43.86 27.54 67.79 2 0 17.37 -999 ? ZN ZN B 201 >GLY.B 38 46.43 30.16 69.43 46.42 30.20 68.59 46.43 30.18 69.01 1 0 13.81 -999 ? ZN ZN B 201 >VAL.B 39 48.05 33.45 68.47 48.07 35.45 69.33 48.06 34.45 68.90 3 0 9.69 -999 ? ZN ZN B 201 >PRO.B 40 49.39 33.72 64.35 50.09 32.72 66.21 49.74 33.22 65.28 3 0 12.51 -999 ? ZN ZN B 201 >PHE.B 41 52.38 37.06 66.48 50.39 39.00 66.86 51.38 38.03 66.67 3 0 8.26 -999 ? ZN ZN B 201 >VAL.B 42 54.92 36.19 70.41 56.23 35.06 71.74 55.58 35.62 71.08 3 0 9.95 -999 ? ZN ZN B 201 >HIS^B 43 52.67 40.81 71.11 50.82 40.90 72.09 51.75 40.86 71.60 3 0 -3.54 -999 ? ZN ZN B 201s >SER^B 44 55.84 42.51 73.83 58.17 43.04 73.33 57.01 42.78 73.58 2 0 8.79 -999 ? ZN ZN B 201 >HIS^B 45 52.59 46.01 74.15 50.94 45.37 73.03 51.77 45.69 73.59 3 0 -3.51 -999 ? ZN ZN B 201s >LYS.B 46 57.17 49.40 74.01 58.38 50.84 67.93 57.77 50.12 70.97 2 0 12.73 -999 ? ZN ZN B 201 >GLN.B 47 54.17 53.44 75.28 54.27 55.57 75.12 54.22 54.50 75.20 2 0 13.47 -999 ? ZN ZN B 201 >ASN^B 48 50.76 49.65 75.72 50.21 51.41 74.68 50.49 50.53 75.20 2 0 8.44 -999 ? ZN ZN B 201 >GLU^B 49 49.58 47.54 82.21 49.20 48.52 84.05 49.39 48.03 83.13 2 0 12.45 -999 ? ZN ZN B 201 >GLU^B 50 47.83 43.96 76.68 48.79 43.49 74.83 48.31 43.72 75.75 2 0 -2.15 -999 ? ZN ZN B 201s >ILE^B 51 44.46 44.65 81.70 44.09 45.48 82.73 44.28 45.07 82.22 3 0 10.89 -999 ? ZN ZN B 201 >TYR^B 52 45.64 39.35 78.37 47.13 39.72 76.03 46.38 39.54 77.20 3 0 6.50 -999 ? ZN ZN B 201 >GLY^B 53 40.49 39.11 81.11 40.76 38.78 80.35 40.63 38.95 80.73 1 0 12.87 -999 ? ZN ZN B 201 >ILE^B 54 39.97 34.29 80.70 40.68 34.18 80.17 40.33 34.23 80.43 3 0 14.89 -999 ? ZN ZN B 201 >LEU^B 55 34.97 36.68 78.52 35.29 38.82 78.50 35.13 37.75 78.51 3 0 16.32 -999 ? ZN ZN B 201 >SER^B 56 34.98 32.17 78.70 34.36 32.60 76.42 34.67 32.39 77.56 2 0 18.77 -999 ? ZN ZN B 201 >GLY^B 57 36.47 28.77 78.06 36.65 29.25 78.68 36.56 29.01 78.37 1 0 20.10 -999 ? ZN ZN B 201 >LYS^B 58 39.99 27.88 79.09 39.17 21.67 80.28 39.58 24.78 79.69 2 0 25.01 -999 ? ZN ZN B 201 >GLY^B 59 43.53 27.77 77.77 43.59 27.97 78.57 43.56 27.87 78.17 1 0 17.27 -999 ? ZN ZN B 201 >PHE^B 60 47.59 26.42 78.45 46.69 23.87 79.14 47.14 25.15 78.79 3 0 19.19 -999 ? ZN ZN B 201 >ILE^B 61 48.69 33.30 78.56 48.84 34.59 79.21 48.77 33.95 78.88 3 0 11.13 -999 ? ZN ZN B 201 >THR^B 62 53.05 31.79 77.79 54.27 30.28 76.83 53.66 31.04 77.31 2 0 14.41 -999 ? ZN ZN B 201 >ILE^B 63 54.12 35.49 80.50 53.31 36.57 81.02 53.71 36.03 80.76 3 0 11.58 -999 ? ZN ZN B 201 >ASP.B 64 59.10 35.78 80.18 58.85 37.85 79.76 58.97 36.82 79.97 2 0 12.92 -999 ? ZN ZN B 201 >GLY.B 65 58.94 31.09 78.58 58.35 31.41 79.01 58.65 31.25 78.79 1 0 16.49 -999 ? ZN ZN B 201 >GLU^B 66 55.84 30.37 83.87 55.79 31.50 85.66 55.81 30.94 84.76 2 0 18.55 -999 ? ZN ZN B 201 >LYS^B 67 53.10 29.00 80.47 50.81 24.70 77.26 51.96 26.85 78.87 2 0 19.11 -999 ? ZN ZN B 201 >ILE^B 68 50.03 31.28 83.24 50.75 31.22 84.45 50.39 31.25 83.85 3 0 16.34 -999 ? ZN ZN B 201 >GLU^B 69 47.52 25.61 83.49 46.74 23.80 84.24 47.13 24.70 83.87 2 0 22.72 -999 ? ZN ZN B 201 >LEU^B 70 43.97 31.06 80.91 45.42 32.61 80.60 44.70 31.84 80.75 3 0 14.68 -999 ? ZN ZN B 201 >GLN^B 71 40.16 29.19 85.21 39.73 27.74 86.71 39.94 28.46 85.96 2 0 22.97 -999 ? ZN ZN B 201 >ALA.B 72 37.03 31.96 82.75 35.60 31.46 82.55 36.31 31.71 82.65 2 0 20.60 -999 ? ZN ZN B 201 >GLY.B 73 37.38 34.53 85.52 38.01 34.42 85.04 37.69 34.48 85.28 1 0 19.56 -999 ? ZN ZN B 201 >ASP^B 74 42.11 33.82 84.68 42.24 32.04 85.84 42.18 32.93 85.26 2 0 18.63 -999 ? ZN ZN B 201 >TRP^B 75 39.43 38.86 85.79 38.76 41.64 83.10 39.09 40.25 84.45 3 0 15.85 -999 ? ZN ZN B 201 >LEU^B 76 46.99 38.28 83.48 46.59 36.23 83.05 46.79 37.26 83.26 3 0 12.34 -999 ? ZN ZN B 201 >ARG^B 77 50.15 45.18 86.25 52.92 43.95 86.74 51.53 44.57 86.50 2 0 14.42 -999 ? ZN ZN B 201 >ILE^B 78 51.24 41.33 80.48 51.32 40.11 79.69 51.28 40.72 80.08 3 0 7.95 -999 ? ZN ZN B 201 >ALA.B 79 54.28 44.60 81.88 55.50 44.54 82.82 54.89 44.57 82.35 2 0 11.82 -999 ? ZN ZN B 201 >PRO.B 80 55.16 48.09 79.52 55.32 45.89 79.22 55.24 46.99 79.37 3 0 9.58 -999 ? ZN ZN B 201 >ASP.B 81 59.88 43.95 79.46 60.83 45.84 79.37 60.36 44.90 79.42 2 0 13.46 -999 ? ZN ZN B 201 >GLY.B 82 56.74 40.62 78.96 56.82 41.07 78.28 56.78 40.84 78.62 1 0 9.94 -999 ? ZN ZN B 201 >LYS.B 83 56.85 38.36 75.89 62.10 39.33 75.76 59.48 38.84 75.82 2 0 13.62 -999 ? ZN ZN B 201 >ARG^B 84 51.41 40.10 75.70 52.61 42.65 76.90 52.01 41.38 76.30 2 0 5.26 -999 ? ZN ZN B 201 >GLN^B 85 51.83 32.58 71.71 53.27 31.58 70.49 52.55 32.08 71.10 2 0 12.49 -999 ? ZN ZN B 201 >ILE^B 86 46.79 34.04 74.76 45.39 34.45 74.71 46.09 34.24 74.74 3 0 9.77 -999 ? ZN ZN B 201 >SER^B 87 46.27 29.93 73.09 47.85 28.26 73.90 47.06 29.10 73.49 2 0 15.09 -999 ? ZN ZN B 201 >ALA^B 88 43.10 27.93 73.66 42.00 27.78 72.61 42.55 27.86 73.13 2 0 17.13 -999 ? ZN ZN B 201 >ALA.B 89 42.96 24.59 75.42 42.04 24.23 76.57 42.50 24.41 75.99 2 0 20.72 -999 ? ZN ZN B 201 >SER.B 90 43.23 21.40 73.40 44.06 19.19 72.82 43.65 20.29 73.11 2 0 24.62 -999 ? ZN ZN B 201 >ASP.B 91 39.46 19.36 75.30 39.68 20.12 77.27 39.57 19.74 76.29 2 0 25.46 -999 ? ZN ZN B 201 >SER.B 92 38.15 23.92 74.53 37.22 25.31 76.29 37.69 24.61 75.41 2 0 21.95 -999 ? ZN ZN B 201 >PRO.B 93 35.67 27.12 72.93 37.84 26.72 73.21 36.76 26.92 73.07 3 0 20.64 -999 ? ZN ZN B 201 >ILE^B 94 40.30 30.51 75.40 41.52 31.15 75.80 40.91 30.83 75.60 3 0 15.29 -999 ? ZN ZN B 201 >GLY^B 95 37.30 33.99 74.84 37.81 33.80 75.52 37.56 33.90 75.18 1 0 15.36 -999 ? ZN ZN B 201 >PHE^B 96 41.38 36.34 75.17 42.87 35.99 72.82 42.13 36.17 74.00 3 0 10.20 -999 ? ZN ZN B 201 >LEU^B 97 38.78 41.51 77.49 36.74 42.11 77.22 37.76 41.81 77.36 3 0 12.59 -999 ? ZN ZN B 201 >CYH^B 98 42.90 42.60 75.95 44.33 40.58 74.59 43.62 41.59 75.27 2 0 5.99 -999 ? ZN ZN B 201 >ILE^B 99 42.36 46.43 78.80 41.34 46.90 79.65 41.85 46.66 79.23 3 0 10.50 -999 ? ZN ZN B 201 >GLN^B 100 47.67 48.07 74.35 47.91 47.87 72.24 47.79 47.97 73.30 2 0 4.90 -999 ? ZN ZN B 201 >VAL^B 101 46.85 51.26 78.21 45.68 50.74 80.00 46.27 51.00 79.10 3 0 10.50 -999 ? ZN ZN B 201 >LYS^B 102 49.97 53.40 78.52 53.18 58.82 77.88 51.58 56.11 78.20 2 0 16.84 -999 ? ZN ZN B 201 >ALA.B 103 51.95 52.07 81.49 53.16 51.15 81.37 52.56 51.61 81.43 2 0 12.28 -999 ? ZN ZN B 201 >GLY.B 104 52.25 54.51 84.40 51.72 54.58 83.82 51.98 54.54 84.11 1 0 16.44 -999 ? ZN ZN B 201 >SER.B 105 49.76 56.92 82.83 48.17 55.78 81.38 48.96 56.35 82.11 2 0 15.27 -999 ? ZN ZN B 201 >LEU.B 106 46.49 55.16 85.96 44.47 54.89 86.69 45.48 55.02 86.33 3 0 12.21 -999 ? ZN ZN A 201 >GLU.B 107 48.32 61.06 87.14 48.20 62.77 85.91 48.26 61.91 86.52 2 0 16.39 -999 ? ZN ZN A 201 >GLY.B 108 43.85 59.70 90.30 43.89 59.32 89.53 43.87 59.51 89.91 1 0 11.44 -999 ? ZN ZN A 201 >TYR~B 109 42.36 55.06 90.63 43.67 53.53 92.58 43.02 54.30 91.61 3 0 10.58 -999 ? ZN ZN A 201 >THR~B 110 37.72 56.33 91.79 37.53 54.24 92.41 37.62 55.28 92.10 2 0 6.60 -999 ? ZN ZN A 201 >MET?B 111 38.01 58.21 95.09 36.60 58.15 98.30 37.30 58.18 96.69 2 0 11.40 -999 ? ZN ZN A 201 >THR~B 112 40.63 60.53 93.62 42.49 59.65 94.26 41.56 60.09 93.94 2 0 11.88 -999 ? ZN ZN A 201 >ASP.B 113 39.53 60.33 89.18 39.35 61.24 87.26 39.44 60.78 88.22 2 0 7.96 -999 ? ZN ZN A 201 >GLY^B 114 35.14 60.48 90.54 35.55 61.06 90.98 35.35 60.77 90.76 1 0 5.67 -999 ? ZN ZN A 201 >VAL^B 115 32.75 63.35 91.26 33.28 65.38 90.65 33.01 64.36 90.95 3 0 9.04 -999 ? ZN ZN A 201 >VAL^B 116 29.38 62.70 92.88 28.84 61.54 94.64 29.11 62.12 93.76 3 0 9.70 -999 ? ZN ZN A 201 >GLN^B 117 26.25 65.68 89.27 28.33 66.17 89.17 27.29 65.92 89.22 2 0 11.48 -999 ? ZN ZN A 201 >LEU.B 118 24.26 67.25 95.19 25.31 67.00 97.06 24.78 67.13 96.13 3 0 16.47 -999 ? ZN ZN A 201 >MET?C 1 31.96 20.01 56.93 34.17 20.02 54.07 33.06 20.02 55.50 2 0 17.82 -999 ? ZN ZN D 201 >LYS.C 2 31.41 23.16 54.89 29.75 26.57 57.45 30.58 24.86 56.17 2 0 18.58 -999 ? ZN ZN D 201 >ASN.C 3 33.45 24.01 50.65 34.37 22.11 50.47 33.91 23.06 50.56 2 0 13.77 -999 ? ZN ZN D 201 >TYR^C 4 30.16 28.39 52.66 27.66 28.02 53.89 28.91 28.20 53.28 3 0 14.87 -999 ? ZN ZN D 201 >GLN^C 5 33.81 29.59 57.56 35.48 29.92 58.84 34.65 29.76 58.20 2 0 18.14 -999 ? ZN ZN D 201 >LYS^C 6 29.94 33.69 55.93 24.78 35.71 55.14 27.36 34.70 55.53 2 0 18.75 -999 ? ZN ZN D 201 >MET?C 7 29.43 36.79 58.04 33.31 38.27 59.09 31.37 37.53 58.56 2 0 18.63 -999 ? ZN ZN C 201 >SER^C 8 27.70 40.15 57.83 25.53 39.20 57.37 26.61 39.67 57.60 2 0 21.06 -999 ? ZN ZN D 201 >VAL.C 9 29.30 43.54 58.35 31.42 43.80 57.94 30.36 43.67 58.15 3 0 19.31 -999 ? ZN ZN C 201 >ALA.C 10 27.40 46.69 59.33 27.35 47.30 60.74 27.38 46.99 60.03 2 0 22.37 -999 ? ZN ZN C 201 >GLN.C 11 26.63 51.58 55.49 24.91 52.81 55.16 25.77 52.20 55.32 2 0 24.78 -999 ? ZN ZN C 201 >ASP.C 12 29.43 52.93 59.53 28.49 54.09 58.03 28.96 53.51 58.78 2 0 21.80 -999 ? ZN ZN C 201 >ALA.C 13 31.69 48.80 60.92 31.03 47.44 61.18 31.36 48.12 61.05 2 0 18.94 -999 ? ZN ZN C 201 >ARG.C 14 36.61 52.04 62.21 35.34 54.88 62.58 35.97 53.46 62.39 2 0 17.14 -999 ? ZN ZN C 201 >VAL^C 15 36.63 44.85 61.13 34.57 44.13 60.99 35.60 44.49 61.06 3 0 14.90 -999 ? ZN ZN C 201 >GLU^C 16 41.33 43.58 60.68 42.12 43.97 62.60 41.73 43.77 61.64 2 0 10.53 -999 ? ZN ZN C 201 >LEU~C 17 37.62 39.28 56.68 36.19 40.80 56.10 36.90 40.04 56.39 3 0 14.32 -999 ? ZN ZN C 201 >HIS~C 18 43.53 36.08 58.72 44.75 34.38 58.91 44.14 35.23 58.82 3 0 13.61 -999 ? ZN ZN C 201 >ASP~C 19 40.66 35.81 63.21 42.77 36.02 63.44 41.71 35.92 63.33 2 0 13.53 -999 ? ZN ZN B 201 >SER~C 20 36.47 35.62 61.53 35.91 37.76 62.56 36.19 36.69 62.05 2 0 17.78 -999 ? ZN ZN B 201 >LEU~C 21 36.28 34.69 56.85 34.46 35.62 56.13 35.37 35.15 56.49 3 0 16.07 -999 ? ZN ZN D 201 >ALA~C 22 39.51 31.77 58.70 38.97 30.35 59.00 39.24 31.06 58.85 2 0 18.46 -999 ? ZN ZN D 201 >LEU.C 23 41.28 34.62 55.20 39.65 35.78 54.38 40.47 35.20 54.79 3 0 15.03 -999 ? ZN ZN D 201 >THR.C 24 44.38 31.39 54.46 43.62 29.39 54.07 44.00 30.39 54.27 2 0 15.38 -999 ? ZN ZN D 201 >GLY.C 25 45.32 33.44 51.42 44.99 33.89 51.99 45.16 33.67 51.70 1 0 14.10 -999 ? ZN ZN D 201 >ALA.C 26 44.78 36.99 52.59 44.01 37.61 51.43 44.40 37.30 52.01 2 0 11.85 -999 ? ZN ZN C 201 >GLU^C 27 44.17 41.09 57.18 42.52 40.43 58.37 43.35 40.76 57.77 2 0 10.05 -999 ? ZN ZN C 201 >VAL^C 28 40.86 41.84 54.40 39.43 41.39 52.82 40.14 41.62 53.61 3 0 10.89 -999 ? ZN ZN C 201 >SER^C 29 40.20 44.92 56.48 42.11 46.42 56.29 41.15 45.67 56.39 2 0 7.12 -999 ? ZN ZN C 201 >ILE^C 30 35.75 46.54 56.14 34.56 46.05 55.51 35.15 46.30 55.82 3 0 14.01 -999 ? ZN ZN C 201 >ASN^C 31 39.10 50.81 57.88 39.46 52.22 59.47 39.28 51.51 58.68 2 0 11.45 -999 ? ZN ZN C 201 >HIS^C 32 34.21 53.81 57.99 33.16 53.07 59.64 33.68 53.44 58.81 3 0 16.86 -999 ? ZN ZN C 201 >LEU^C 33 39.09 58.05 58.02 41.01 57.08 58.24 40.05 57.57 58.13 3 0 13.80 -999 ? ZN ZN C 201 >PRO.C 34 36.47 60.53 61.45 35.95 60.02 59.34 36.21 60.28 60.39 3 0 18.81 -999 ? ZN ZN C 201 >ALA.C 35 36.08 63.88 57.49 35.01 64.94 57.23 35.55 64.42 57.36 2 0 22.51 -999 ? ZN ZN C 201 >GLY.C 36 39.44 65.46 58.31 39.31 64.69 58.38 39.38 65.07 58.34 1 0 20.60 -999 ? ZN ZN C 201 >ALA.C 37 40.81 62.28 59.86 39.90 61.41 60.72 40.36 61.85 60.29 2 0 17.48 -999 ? ZN ZN C 201 >GLY.C 38 43.43 59.80 58.71 43.43 59.78 59.54 43.43 59.79 59.13 1 0 13.93 -999 ? ZN ZN C 201 >VAL.C 39 45.70 56.92 59.71 46.14 54.97 58.87 45.92 55.95 59.29 3 0 9.79 -999 ? ZN ZN C 201 >PRO.C 40 47.04 56.97 63.84 47.53 58.09 61.98 47.28 57.53 62.91 3 0 12.59 -999 ? ZN ZN C 201 >PHE.C 41 50.67 54.31 61.76 49.12 51.99 61.39 49.89 53.15 61.58 3 0 8.31 -999 ? ZN ZN C 201 >VAL.C 42 53.00 55.67 57.85 54.06 57.04 56.51 53.53 56.36 57.18 3 0 10.05 -999 ? ZN ZN C 201 >HIS^C 43 51.78 50.66 57.18 50.00 50.18 56.17 50.89 50.42 56.68 3 0 -3.62 -999 ? ZN ZN C 201s >SER^C 44 55.26 49.65 54.49 57.64 49.65 55.02 56.45 49.65 54.76 2 0 8.82 -999 ? ZN ZN C 201 >HIS^C 45 52.82 45.55 54.19 51.05 45.83 55.28 51.93 45.69 54.73 3 0 -3.44 -999 ? ZN ZN C 201s >LYS.C 46 57.99 43.18 54.40 59.43 42.08 60.49 58.71 42.63 57.44 2 0 12.65 -999 ? ZN ZN C 201 >GLN.C 47 55.92 38.60 53.15 56.44 36.54 53.32 56.18 37.57 53.23 2 0 13.36 -999 ? ZN ZN C 201 >ASN^C 48 51.80 41.60 52.63 51.60 39.77 53.69 51.70 40.68 53.16 2 0 8.31 -999 ? ZN ZN C 201 >GLU^C 49 50.25 43.35 46.12 50.09 42.29 44.27 50.17 42.82 45.19 2 0 12.45 -999 ? ZN ZN C 201 >GLU^C 50 47.75 46.54 51.60 48.57 47.20 53.46 48.16 46.87 52.53 2 0 -2.18 -999 ? ZN ZN C 201s >ILE^C 51 44.65 45.12 46.57 44.47 44.22 45.54 44.56 44.67 46.06 3 0 10.90 -999 ? ZN ZN C 201 >TYR^C 52 44.66 50.57 49.85 46.18 50.54 52.20 45.42 50.56 51.03 3 0 6.60 -999 ? ZN ZN C 201 >GLY^C 53 39.61 49.72 47.06 39.79 50.09 47.83 39.70 49.91 47.45 1 0 12.93 -999 ? ZN ZN C 201 >ILE^C 54 38.09 54.33 47.44 38.74 54.59 47.99 38.41 54.46 47.71 3 0 14.99 -999 ? ZN ZN C 201 >LEU^C 55 33.67 50.96 49.60 34.41 48.94 49.65 34.04 49.95 49.63 3 0 16.38 -999 ? ZN ZN C 201 >SER^C 56 32.74 55.37 49.37 32.18 54.85 51.67 32.46 55.11 50.52 2 0 18.87 -999 ? ZN ZN C 201 >GLY^C 57 33.49 59.01 50.02 33.77 58.57 49.39 33.63 58.79 49.71 1 0 20.19 -999 ? ZN ZN C 201 >LYS^C 58 36.75 60.60 48.99 34.69 66.50 47.71 35.72 63.55 48.35 2 0 25.13 -999 ? ZN ZN C 201 >GLY^C 59 40.17 61.46 50.32 40.28 61.27 49.53 40.23 61.36 49.93 1 0 17.39 -999 ? ZN ZN C 201 >PHE^C 60 43.87 63.62 49.66 42.47 65.93 48.93 43.17 64.78 49.29 3 0 19.33 -999 ? ZN ZN C 201 >ILE^C 61 46.40 57.12 49.62 46.82 55.89 48.99 46.61 56.51 49.30 3 0 11.26 -999 ? ZN ZN C 201 >THR^C 62 50.32 59.50 50.40 51.17 61.25 51.39 50.74 60.38 50.89 2 0 14.53 -999 ? ZN ZN C 201 >ILE^C 63 52.18 56.10 47.74 51.62 54.88 47.22 51.90 55.49 47.48 3 0 11.71 -999 ? ZN ZN C 201 >ASP.C 64 57.08 56.86 48.09 57.27 54.78 48.54 57.18 55.82 48.32 2 0 13.00 -999 ? ZN ZN C 201 >GLY.C 65 55.94 61.41 49.66 55.43 60.99 49.24 55.68 61.20 49.45 1 0 16.60 -999 ? ZN ZN C 201 >GLU^C 66 52.79 61.43 44.34 53.00 60.31 42.57 52.90 60.87 43.45 2 0 18.67 -999 ? ZN ZN C 201 >LYS^C 67 49.81 62.24 47.71 46.65 65.97 50.85 48.23 64.10 49.28 2 0 19.24 -999 ? ZN ZN C 201 >ILE^C 68 47.31 59.33 44.94 48.01 59.54 43.72 47.66 59.44 44.33 3 0 16.46 -999 ? ZN ZN C 201 >GLU^C 69 43.67 64.36 44.61 42.54 65.97 43.83 43.11 65.17 44.22 2 0 22.85 -999 ? ZN ZN C 201 >LEU^C 70 41.33 58.33 47.22 43.07 57.12 47.56 42.20 57.72 47.39 3 0 14.81 -999 ? ZN ZN C 201 >GLN^C 71 37.23 59.31 42.88 36.53 60.64 41.36 36.88 59.97 42.12 2 0 23.08 -999 ? ZN ZN C 201 >ALA.C 72 34.74 55.97 45.35 33.22 56.16 45.54 33.98 56.07 45.45 2 0 20.69 -999 ? ZN ZN C 201 >GLY.C 73 35.63 53.50 42.61 36.23 53.75 43.09 35.93 53.62 42.85 1 0 19.63 -999 ? ZN ZN C 201 >ASP^C 74 40.11 55.20 43.45 39.86 56.96 42.28 39.98 56.08 42.87 2 0 18.75 -999 ? ZN ZN C 201 >TRP^C 75 38.55 49.70 42.40 38.44 46.85 45.12 38.50 48.28 43.76 3 0 15.89 -999 ? ZN ZN C 201 >LEU^C 76 45.83 51.86 44.73 44.98 53.79 45.15 45.41 52.82 44.94 3 0 12.44 -999 ? ZN ZN C 201 >ARG^C 77 50.35 45.74 42.06 52.82 47.51 41.56 51.58 46.62 41.81 2 0 14.48 -999 ? ZN ZN C 201 >ILE^C 78 50.57 49.78 47.81 50.38 51.00 48.59 50.47 50.39 48.20 3 0 8.02 -999 ? ZN ZN C 201 >ALA.C 79 54.23 47.22 46.47 55.42 47.51 45.54 54.83 47.36 46.00 2 0 11.83 -999 ? ZN ZN C 201 >PRO.C 80 55.82 44.01 48.86 55.50 46.19 49.13 55.66 45.10 49.00 3 0 9.56 -999 ? ZN ZN C 201 >ASP.C 81 59.55 49.03 48.89 60.89 47.40 49.01 60.22 48.22 48.95 2 0 13.47 -999 ? ZN ZN C 201 >GLY.C 82 55.79 51.64 49.38 55.96 51.23 50.06 55.87 51.44 49.72 1 0 10.00 -999 ? ZN ZN C 201 >LYS.C 83 55.39 53.91 52.42 60.75 54.09 52.56 58.07 54.00 52.49 2 0 13.71 -999 ? ZN ZN C 201 >ARG^C 84 50.43 51.07 52.57 52.16 48.81 51.42 51.30 49.94 51.99 2 0 5.31 -999 ? ZN ZN C 201 >GLN^C 85 49.24 58.55 56.48 50.41 59.83 57.73 49.83 59.19 57.10 2 0 12.61 -999 ? ZN ZN C 201 >ILE^C 86 44.65 56.04 53.41 43.37 55.34 53.46 44.01 55.69 53.44 3 0 9.89 -999 ? ZN ZN C 201 >SER^C 87 43.26 59.96 55.04 44.47 61.92 54.23 43.86 60.94 54.64 2 0 15.23 -999 ? ZN ZN C 201 >ALA^C 88 39.74 61.25 54.44 38.64 61.20 55.49 39.19 61.23 54.97 2 0 17.26 -999 ? ZN ZN C 201 >ALA.C 89 38.94 64.47 52.63 37.97 64.63 51.47 38.45 64.55 52.05 2 0 20.86 -999 ? ZN ZN C 201 >SER.C 90 38.52 67.67 54.63 38.83 70.00 55.19 38.67 68.84 54.91 2 0 24.76 -999 ? ZN ZN C 201 >ASP.C 91 34.42 68.86 52.68 34.81 68.15 50.72 34.62 68.50 51.70 2 0 25.59 -999 ? ZN ZN C 201 >SER.C 92 34.09 64.14 53.49 33.47 62.57 51.75 33.78 63.35 52.62 2 0 22.06 -999 ? ZN ZN C 201 >PRO.C 93 32.31 60.50 55.10 34.35 61.35 54.84 33.33 60.92 54.97 3 0 20.74 -999 ? ZN ZN C 201 >ILE^C 94 37.57 58.14 52.71 38.89 57.76 52.32 38.23 57.95 52.52 3 0 15.40 -999 ? ZN ZN C 201 >GLY^C 95 35.35 54.11 53.27 35.83 54.40 52.60 35.59 54.25 52.94 1 0 15.45 -999 ? ZN ZN C 201 >PHE^C 96 39.85 52.66 52.99 41.22 53.32 55.35 40.54 52.99 54.17 3 0 10.29 -999 ? ZN ZN C 201 >LEU^C 97 38.39 47.05 50.70 36.52 46.02 50.97 37.46 46.54 50.83 3 0 12.61 -999 ? ZN ZN C 201 >CYH^C 98 42.65 46.84 52.28 43.63 49.12 53.65 43.14 47.98 52.97 2 0 6.03 -999 ? ZN ZN C 201 >ILE^C 99 42.93 42.97 49.47 42.02 42.30 48.62 42.47 42.63 49.05 3 0 10.48 -999 ? ZN ZN C 201 >GLN^C 100 48.42 42.50 53.97 48.60 42.77 56.07 48.51 42.64 55.02 2 0 4.76 -999 ? ZN ZN C 201 >VAL^C 101 48.33 39.18 50.14 47.09 39.44 48.35 47.71 39.31 49.24 3 0 10.41 -999 ? ZN ZN C 201 >LYS^C 102 51.83 37.72 49.87 56.10 33.11 50.60 53.96 35.42 50.23 2 0 16.73 -999 ? ZN ZN C 201 >ALA.C 103 53.51 39.40 46.91 54.50 40.57 47.01 54.00 39.99 46.96 2 0 12.23 -999 ? ZN ZN C 201 >GLY.C 104 54.33 37.07 44.02 53.82 36.89 44.60 54.08 36.98 44.31 1 0 16.38 -999 ? ZN ZN C 201 >SER.C 105 52.39 34.21 45.60 50.58 35.00 47.03 51.49 34.60 46.32 2 0 15.18 -999 ? ZN ZN C 201 >LEU.C 106 48.85 35.23 42.44 46.84 35.05 41.69 47.84 35.14 42.06 3 0 12.20 -999 ? ZN ZN D 201 >GLU.C 107 51.88 29.83 41.33 52.11 28.15 42.59 51.99 28.99 41.96 2 0 16.41 -999 ? ZN ZN D 201 >GLY.C 108 47.26 30.20 38.12 47.20 30.58 38.89 47.23 30.39 38.51 1 0 11.49 -999 ? ZN ZN D 201 >TYR~C 109 44.84 34.43 37.74 45.81 36.18 35.79 45.32 35.30 36.76 3 0 10.60 -999 ? ZN ZN D 201 >THR~C 110 40.57 32.21 36.56 39.93 34.19 35.94 40.25 33.20 36.25 2 0 6.61 -999 ? ZN ZN D 201 >MET?C 111 41.27 30.40 33.28 39.88 30.07 30.10 40.58 30.23 31.69 2 0 11.45 -999 ? ZN ZN D 201 >THR~C 112 44.29 28.68 34.79 45.95 29.91 34.15 45.12 29.30 34.47 2 0 11.95 -999 ? ZN ZN D 201 >ASP.C 113 43.15 28.68 39.23 43.13 27.76 41.15 43.14 28.22 40.19 2 0 8.01 -999 ? ZN ZN D 201 >GLY^C 114 38.91 27.60 37.86 39.43 27.11 37.42 39.17 27.36 37.64 1 0 5.76 -999 ? ZN ZN D 201 >VAL^C 115 37.15 24.30 37.14 38.10 22.43 37.76 37.62 23.36 37.45 3 0 9.13 -999 ? ZN ZN D 201 >VAL^C 116 33.73 24.21 35.49 32.98 25.22 33.70 33.36 24.71 34.60 3 0 9.79 -999 ? ZN ZN D 201 >GLN.C 117 31.31 20.78 39.28 33.42 20.86 39.53 32.37 20.82 39.40 2 0 11.30 -999 ? ZN ZN D 201 >LEU.C 118 29.86 19.56 32.75 30.89 20.50 31.10 30.37 20.03 31.92 3 0 15.81 -999 ? ZN ZN D 201 >MET?D 1 59.74 53.01 39.40 57.12 51.99 37.23 58.43 52.50 38.31 2 0 20.50 -999 ? ZN ZN C 201 >LYS.D 2 56.54 53.88 41.28 52.22 54.62 37.62 54.38 54.25 39.45 2 0 19.55 -999 ? ZN ZN C 201 >ASN.D 3 56.15 51.81 45.62 58.19 51.27 45.82 57.17 51.54 45.72 2 0 13.83 -999 ? ZN ZN C 201 >TYR^D 4 51.19 54.13 43.60 51.07 56.64 42.34 51.13 55.39 42.97 3 0 15.00 -999 ? ZN ZN C 201 >GLN^D 5 50.78 50.28 38.71 50.78 48.56 37.45 50.78 49.42 38.08 2 0 18.21 -999 ? ZN ZN C 201 >LYS^D 6 45.99 53.27 40.31 42.96 57.90 41.06 44.48 55.58 40.68 2 0 18.88 -999 ? ZN ZN C 201 >MET?D 7 42.85 53.13 38.19 42.21 49.02 37.16 42.53 51.07 37.67 2 0 18.66 -999 ? ZN ZN D 201 >SER^D 8 39.22 54.14 38.38 39.72 56.46 38.83 39.47 55.30 38.61 2 0 21.18 -999 ? ZN ZN C 201 >VAL.D 9 36.21 51.90 37.85 36.38 49.77 38.28 36.30 50.83 38.07 3 0 19.29 -999 ? ZN ZN D 201 >ALA.D 10 32.74 53.11 36.86 32.14 53.02 35.46 32.44 53.07 36.16 2 0 22.32 -999 ? ZN ZN D 201 >GLN.D 11 27.79 52.92 40.69 26.23 54.35 41.00 27.01 53.64 40.85 2 0 24.71 -999 ? ZN ZN D 201 >ASP.D 12 27.03 49.88 36.66 25.69 50.59 38.15 26.36 50.24 37.40 2 0 21.74 -999 ? ZN ZN D 201 >ALA.D 13 31.54 48.48 35.31 32.74 49.40 35.05 32.14 48.94 35.18 2 0 18.90 -999 ? ZN ZN D 201 >ARG.D 14 29.50 43.56 33.63 26.32 43.76 33.62 27.91 43.66 33.62 2 0 17.14 -999 ? ZN ZN D 201 >VAL^D 15 36.40 44.44 35.12 36.69 46.60 35.26 36.54 45.52 35.19 3 0 14.89 -999 ? ZN ZN D 201 >GLU^D 16 38.58 40.10 35.60 38.38 39.23 33.68 38.48 39.66 34.64 2 0 10.57 -999 ? ZN ZN D 201 >LEU~D 17 42.04 44.59 39.60 40.27 45.72 40.15 41.15 45.16 39.88 3 0 14.34 -999 ? ZN ZN D 201 >HIS~D 18 46.36 39.45 37.60 48.27 38.59 37.43 47.31 39.02 37.51 3 0 13.69 -999 ? ZN ZN D 201 >ASP~D 19 46.07 42.29 33.10 46.30 40.18 32.86 46.18 41.24 32.98 2 0 15.38 -999 ? ZN ZN D 201 >SER~D 20 45.41 46.44 34.74 43.22 46.56 33.69 44.31 46.50 34.21 2 0 17.88 -999 ? ZN ZN D 201 >LEU~D 21 46.27 46.85 39.41 45.00 48.45 40.13 45.64 47.65 39.77 3 0 16.16 -999 ? ZN ZN C 201 >ALA~D 22 49.78 44.25 37.59 51.05 45.05 37.28 50.41 44.65 37.44 2 0 18.53 -999 ? ZN ZN C 201 >LEU.D 23 47.35 41.97 41.13 45.88 43.34 41.92 46.61 42.65 41.52 3 0 15.04 -999 ? ZN ZN C 201 >THR.D 24 51.11 39.58 41.87 52.90 40.73 42.26 52.01 40.16 42.06 2 0 15.38 -999 ? ZN ZN C 201 >GLY.D 25 49.29 38.27 44.92 48.79 38.50 44.34 49.04 38.38 44.63 1 0 14.06 -999 ? ZN ZN C 201 >ALA.D 26 45.71 38.07 43.73 44.96 38.72 44.89 45.34 38.39 44.31 2 0 11.93 -999 ? ZN ZN D 201 >GLU^D 27 41.59 37.84 39.14 41.91 39.58 37.93 41.75 38.71 38.53 2 0 10.12 -999 ? ZN ZN D 201 >VAL^D 28 40.18 40.93 41.89 40.32 42.44 43.46 40.25 41.69 42.67 3 0 10.91 -999 ? ZN ZN D 201 >SER^D 29 37.04 40.96 39.79 35.95 38.79 39.99 36.50 39.87 39.89 2 0 7.10 -999 ? ZN ZN D 201 >ILE^D 30 34.56 45.00 40.11 34.79 46.26 40.73 34.67 45.63 40.42 3 0 13.98 -999 ? ZN ZN D 201 >ASN^D 31 31.05 40.84 38.37 29.75 40.21 36.78 30.40 40.53 37.58 2 0 11.38 -999 ? ZN ZN D 201 >HIS^D 32 27.13 45.03 38.24 27.65 46.20 36.57 27.39 45.62 37.41 3 0 16.79 -999 ? ZN ZN D 201 >LEU^D 33 23.95 39.40 38.23 25.28 37.71 38.02 24.62 38.56 38.12 3 0 13.70 -999 ? ZN ZN D 201 >PRO.D 34 21.01 41.45 34.78 21.39 42.07 36.88 21.20 41.76 35.83 3 0 18.71 -999 ? ZN ZN D 201 >ALA.D 35 17.62 41.19 38.72 16.37 42.02 38.96 17.00 41.60 38.84 2 0 22.41 -999 ? ZN ZN D 201 >GLY.D 36 16.75 37.58 37.91 17.48 37.86 37.85 17.12 37.72 37.88 1 0 20.50 -999 ? ZN ZN D 201 >ALA.D 37 20.15 36.85 36.38 20.82 37.91 35.51 20.49 37.38 35.95 2 0 17.39 -999 ? ZN ZN D 201 >GLY.D 38 23.11 34.80 37.55 23.13 34.80 36.72 23.12 34.80 37.14 1 0 13.82 -999 ? ZN ZN D 201 >VAL.D 39 26.38 33.14 36.58 28.38 33.11 37.43 27.38 33.13 37.00 3 0 9.70 -999 ? ZN ZN D 201 >PRO.D 40 26.61 31.80 32.45 25.61 31.10 34.32 26.11 31.45 33.39 3 0 12.52 -999 ? ZN ZN D 201 >PHE.D 41 29.94 28.79 34.57 31.89 30.77 34.94 30.91 29.78 34.75 3 0 8.27 -999 ? ZN ZN D 201 >VAL.D 42 29.07 26.25 38.51 27.92 24.95 39.84 28.49 25.60 39.17 3 0 9.98 -999 ? ZN ZN D 201 >HIS^D 43 33.71 28.46 39.16 33.81 30.31 40.15 33.76 29.38 39.65 3 0 -3.58 -999 ? ZN ZN D 201s >SER^D 44 35.40 25.27 41.87 35.89 22.94 41.37 35.65 24.10 41.62 2 0 8.82 -999 ? ZN ZN D 201 >HIS^D 45 38.94 28.48 42.17 38.30 30.13 41.06 38.62 29.31 41.62 3 0 -3.53 -999 ? ZN ZN D 201s >LYS.D 46 42.29 23.88 42.00 43.66 22.68 35.91 42.97 23.28 38.96 2 0 12.72 -999 ? ZN ZN D 201 >GLN.D 47 46.36 26.84 43.24 48.49 26.73 43.08 47.42 26.79 43.16 2 0 13.47 -999 ? ZN ZN D 201 >ASN^D 48 42.61 30.29 43.73 44.35 30.83 42.67 43.48 30.56 43.20 2 0 8.42 -999 ? ZN ZN D 201 >GLU^D 49 40.55 31.50 50.22 41.54 31.85 52.04 41.04 31.67 51.13 2 0 12.45 -999 ? ZN ZN D 201 >GLU^D 50 36.95 33.27 44.71 36.48 32.31 42.86 36.71 32.79 43.79 2 0 -2.15 -999 ? ZN ZN D 201s >ILE^D 51 37.70 36.63 49.74 38.54 36.98 50.76 38.12 36.81 50.25 3 0 10.89 -999 ? ZN ZN D 201 >TYR^D 52 32.36 35.50 46.45 32.70 34.00 44.09 32.53 34.75 45.27 3 0 6.51 -999 ? ZN ZN D 201 >GLY^D 53 32.19 40.63 49.19 31.85 40.37 48.42 32.02 40.50 48.81 1 0 12.86 -999 ? ZN ZN D 201 >ILE^D 54 27.35 41.20 48.81 27.25 40.50 48.26 27.30 40.85 48.53 3 0 14.89 -999 ? ZN ZN D 201 >LEU^D 55 29.79 46.18 46.62 31.92 45.86 46.58 30.85 46.02 46.60 3 0 16.31 -999 ? ZN ZN D 201 >SER^D 56 25.27 46.22 46.83 25.68 46.85 44.54 25.48 46.53 45.68 2 0 18.78 -999 ? ZN ZN D 201 >GLY^D 57 21.85 44.75 46.19 22.33 44.57 46.82 22.09 44.66 46.51 1 0 20.10 -999 ? ZN ZN D 201 >LYS^D 58 20.94 41.24 47.24 14.76 42.08 48.49 17.85 41.66 47.86 2 0 25.01 -999 ? ZN ZN D 201 >GLY^D 59 20.80 37.71 45.92 21.00 37.64 46.72 20.90 37.67 46.32 1 0 17.28 -999 ? ZN ZN D 201 >PHE^D 60 19.42 33.65 46.61 16.86 34.57 47.32 18.14 34.11 46.96 3 0 19.22 -999 ? ZN ZN D 201 >ILE^D 61 26.29 32.48 46.67 27.58 32.32 47.30 26.93 32.40 46.98 3 0 11.15 -999 ? ZN ZN D 201 >THR^D 62 24.73 28.15 45.92 23.21 26.95 44.95 23.97 27.55 45.44 2 0 14.45 -999 ? ZN ZN D 201 >ILE^D 63 28.44 27.05 48.60 29.53 27.84 49.11 28.99 27.45 48.85 3 0 11.62 -999 ? ZN ZN D 201 >ASP.D 64 28.69 22.08 48.28 30.77 22.28 47.83 29.73 22.18 48.06 2 0 12.97 -999 ? ZN ZN D 201 >GLY.D 65 24.00 22.27 46.71 24.32 22.86 47.13 24.16 22.57 46.92 1 0 16.52 -999 ? ZN ZN D 201 >GLU^D 66 23.33 25.36 51.99 24.47 25.40 53.77 23.90 25.38 52.88 2 0 18.59 -999 ? ZN ZN D 201 >LYS^D 67 21.97 28.12 48.61 17.67 30.46 45.45 19.82 29.29 47.03 2 0 19.14 -999 ? ZN ZN D 201 >ILE^D 68 24.30 31.17 51.37 24.24 30.45 52.59 24.27 30.81 51.98 3 0 16.37 -999 ? ZN ZN D 201 >GLU^D 69 18.64 33.73 51.64 16.84 34.53 52.42 17.74 34.13 52.03 2 0 22.75 -999 ? ZN ZN D 201 >LEU^D 70 24.09 37.23 49.04 25.63 35.77 48.71 24.86 36.50 48.88 3 0 14.70 -999 ? ZN ZN D 201 >GLN^D 71 22.30 41.06 53.35 20.86 41.49 54.86 21.58 41.27 54.11 2 0 22.98 -999 ? ZN ZN D 201 >ALA.D 72 25.07 44.16 50.88 24.59 45.60 50.67 24.83 44.88 50.78 2 0 20.59 -999 ? ZN ZN D 201 >GLY.D 73 27.67 43.79 53.62 27.55 43.15 53.14 27.61 43.47 53.38 1 0 19.55 -999 ? ZN ZN D 201 >ASP^D 74 26.90 39.06 52.81 25.11 38.97 53.96 26.01 39.01 53.38 2 0 18.66 -999 ? ZN ZN D 201 >TRP^D 75 31.96 41.69 53.86 34.74 42.35 51.15 33.35 42.02 52.50 3 0 15.83 -999 ? ZN ZN D 201 >LEU^D 76 31.31 34.15 51.56 29.26 34.56 51.14 30.29 34.35 51.35 3 0 12.36 -999 ? ZN ZN D 201 >ARG^D 77 38.21 30.93 54.28 36.97 28.17 54.78 37.59 29.55 54.53 2 0 14.44 -999 ? ZN ZN D 201 >ILE^D 78 34.32 29.88 48.52 33.10 29.80 47.73 33.71 29.84 48.12 3 0 7.96 -999 ? ZN ZN D 201 >ALA.D 79 37.56 26.81 49.89 37.51 25.59 50.82 37.53 26.20 50.36 2 0 11.82 -999 ? ZN ZN D 201 >PRO.D 80 41.04 25.90 47.51 38.82 25.75 47.23 39.93 25.83 47.37 3 0 9.59 -999 ? ZN ZN D 201 >ASP.D 81 36.85 21.22 47.50 38.73 20.24 47.40 37.79 20.73 47.45 2 0 13.49 -999 ? ZN ZN D 201 >GLY.D 82 33.54 24.38 47.00 33.98 24.30 46.32 33.76 24.34 46.66 1 0 9.97 -999 ? ZN ZN D 201 >LYS.D 83 31.25 24.30 43.95 32.18 19.04 43.82 31.72 21.67 43.88 2 0 13.66 -999 ? ZN ZN D 201 >ARG^D 84 33.04 29.72 43.76 35.58 28.48 44.94 34.31 29.10 44.35 2 0 5.30 -999 ? ZN ZN D 201 >GLN^D 85 25.48 29.36 39.84 24.47 27.95 38.60 24.98 28.65 39.22 2 0 12.52 -999 ? ZN ZN D 201 >ILE^D 86 27.02 34.40 42.87 27.43 35.78 42.82 27.22 35.09 42.84 3 0 9.79 -999 ? ZN ZN D 201 >SER^D 87 22.91 34.96 41.23 21.25 33.35 42.03 22.08 34.16 41.63 2 0 15.08 -999 ? ZN ZN D 201 >ALA^D 88 20.93 38.15 41.80 20.78 39.23 40.76 20.85 38.69 41.28 2 0 17.14 -999 ? ZN ZN D 201 >ALA.D 89 17.60 38.31 43.59 17.26 39.24 44.74 17.43 38.78 44.17 2 0 20.74 -999 ? ZN ZN D 201 >SER.D 90 14.40 38.05 41.59 12.18 37.25 41.01 13.29 37.65 41.30 2 0 24.64 -999 ? ZN ZN D 201 >ASP.D 91 12.41 41.84 43.52 13.18 41.62 45.48 12.79 41.73 44.50 2 0 25.48 -999 ? ZN ZN D 201 >SER.D 92 16.97 43.12 42.71 18.39 44.03 44.46 17.68 43.57 43.58 2 0 21.94 -999 ? ZN ZN D 201 >PRO.D 93 20.18 45.58 41.09 19.75 43.41 41.37 19.97 44.50 41.23 3 0 20.65 -999 ? ZN ZN D 201 >ILE^D 94 23.54 40.91 43.53 24.18 39.69 43.92 23.86 40.30 43.72 3 0 15.29 -999 ? ZN ZN D 201 >GLY^D 95 27.04 43.89 42.96 26.86 43.37 43.64 26.95 43.63 43.30 1 0 15.36 -999 ? ZN ZN D 201 >PHE^D 96 29.38 39.78 43.27 28.99 38.27 40.92 29.18 39.02 42.09 3 0 10.19 -999 ? ZN ZN D 201 >LEU^D 97 34.56 42.34 45.56 35.18 44.38 45.28 34.87 43.36 45.42 3 0 12.57 -999 ? ZN ZN D 201 >CYH^D 98 35.63 38.20 44.01 33.58 36.81 42.63 34.60 37.51 43.32 2 0 5.99 -999 ? ZN ZN D 201 >ILE^D 99 39.48 38.71 46.83 39.95 39.73 47.68 39.71 39.22 47.26 3 0 10.49 -999 ? ZN ZN D 201 >GLN^D 100 41.05 33.40 42.36 40.81 33.16 40.25 40.93 33.28 41.30 2 0 4.86 -999 ? ZN ZN D 201 >VAL^D 101 44.26 34.17 46.19 43.76 35.36 47.98 44.01 34.76 47.08 3 0 10.47 -999 ? ZN ZN D 201 >LYS^D 102 46.38 31.03 46.50 51.76 27.78 45.80 49.07 29.41 46.15 2 0 16.82 -999 ? ZN ZN D 201 >ALA.D 103 45.05 29.08 49.47 44.11 27.87 49.36 44.58 28.47 49.41 2 0 12.28 -999 ? ZN ZN D 201 >GLY.D 104 47.50 28.75 52.37 47.57 29.28 51.79 47.53 29.01 52.08 1 0 16.44 -999 ? ZN ZN D 201 >SER.D 105 49.93 31.22 50.78 48.82 32.83 49.34 49.37 32.02 50.06 2 0 15.28 -999 ? ZN ZN D 201 >LEU.D 106 48.22 34.49 53.92 47.96 36.51 54.66 48.09 35.50 54.29 3 0 12.08 -999 ? ZN ZN C 201 >GLU.D 107 54.11 32.62 55.06 55.80 32.73 53.81 54.95 32.67 54.43 2 0 16.29 -999 ? ZN ZN C 201 >GLY.D 108 52.80 37.10 58.22 52.42 37.07 57.46 52.61 37.08 57.84 1 0 11.34 -999 ? ZN ZN C 201 >TYR~D 109 48.18 38.63 58.59 46.66 37.33 60.54 47.42 37.98 59.56 3 0 10.45 -999 ? ZN ZN C 201 >THR~D 110 49.48 43.24 59.75 47.42 43.46 60.38 48.45 43.35 60.07 2 0 6.51 -999 ? ZN ZN C 201 >MET?D 111 51.40 42.94 63.03 51.41 44.35 66.26 51.41 43.65 64.65 2 0 6.91 -999 ? ZN ZN B 201 >THR~D 112 53.69 40.31 61.54 52.81 38.45 62.19 53.25 39.38 61.87 2 0 11.81 -999 ? ZN ZN C 201 >ASP.D 113 53.47 41.41 57.10 54.37 41.60 55.17 53.92 41.51 56.13 2 0 7.90 -999 ? ZN ZN C 201 >GLY^D 114 53.67 45.79 58.46 54.25 45.37 58.91 53.96 45.58 58.68 1 0 5.67 -999 ? ZN ZN C 201 >VAL^D 115 56.55 48.17 59.18 58.58 47.63 58.56 57.57 47.90 58.87 3 0 9.09 -999 ? ZN ZN C 201 >VAL^D 116 55.95 51.54 60.80 54.81 52.09 62.58 55.38 51.82 61.69 3 0 9.79 -999 ? ZN ZN C 201 >GLN.D 117 58.77 55.64 57.31 60.15 54.08 56.84 59.46 54.86 57.08 2 0 12.93 -999 ? ZN ZN C 201 >LEU.D 118 60.74 55.38 63.24 60.62 53.56 64.41 60.68 54.47 63.83 3 0 15.85 -999 ? ZN ZN C 201