REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-06 2GJV COMPND PUTATIVE CYTOPLASMIC PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 GENE: NP_463080; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR G.MINASOV,L.SHUVALOVA,J.S.BRUNZELLE,I.I.VORONTSOV,F.R.COLLART, AUTHOR 2 A.JOACHIMIAK,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 3 (MCSG) HET CL C 152 1 HET CL A 152 1 HET CL E 152 1 HET CL F 152 1 HET CL D 152 1 HET CL B 152 1 HET CA E 153 1 HET CA D 153 1 HET CA A 153 1 HET CA C 153 1 HET CA F 153 1 HET CA A 154 1 HET CA B 153 1 HET CA D 154 1 SITE 1 AC1 3 ASN C 18 PRO C 19 ASP C 20 SITE 1 AC2 5 ASN A 18 ASP A 20 HOH A 165 HOH A 257 SITE 1 AC3 4 ASN E 18 PRO E 19 ASP E 20 HOH E 228 SITE 1 AC4 3 ASN F 18 PRO F 19 ASP F 20 SITE 1 AC5 5 ASN D 18 PRO D 19 ASP D 20 HOH D 251 SITE 1 AC6 5 ASN B 18 PRO B 19 ASP B 20 HOH B 191 SITE 1 AC7 3 GLU A 16 GLU C 16 GLU E 16 SITE 1 AC8 4 GLU B 16 GLU D 16 GLU F 16 HOH F 242 SITE 1 AC9 5 ASN A 56 HOH A 171 HOH A 191 ASN F 56 SITE 1 BC1 4 PRO C 19 HOH C 154 HOH C 155 HOH C 156 SITE 1 BC2 1 PRO F 19 SITE 1 BC3 2 PRO A 19 HOH A 262 SITE 1 BC4 4 PRO B 19 HOH B 162 HOH B 250 HOH B 251 SITE 1 BC5 2 PRO D 19 HOH D 249 >ASN.A -1 63.28 78.76 10.39 63.02 80.85 10.09 63.15 79.80 10.24 2 0 21.58 -999 ? CL CL B 152 >ALA.A 0 65.69 75.05 11.34 67.07 74.91 11.96 66.38 74.98 11.65 2 0 17.91 -999 ? CL CL B 152 >MET.A 1 63.32 73.02 13.48 62.23 69.26 14.71 62.78 71.14 14.09 2 0 20.48 -999 ? CL CL B 152 >GLU~A 2 63.71 76.10 17.19 63.59 77.95 18.26 63.65 77.02 17.73 2 0 15.17 -999 ? CL CL B 152 >THR~A 3 62.35 70.20 18.74 63.55 68.45 19.09 62.95 69.33 18.92 2 0 17.59 -999 ? CL CL B 152 >LEU~A 4 61.12 72.71 22.71 60.52 72.46 24.81 60.82 72.58 23.76 3 0 16.33 -999 ? CL CL B 152 >SER~A 5 58.34 73.88 19.25 59.51 75.94 18.72 58.93 74.91 18.98 2 0 18.51 -999 ? CL CL B 152 >VAL~A 6 57.19 70.67 17.45 58.02 69.24 15.98 57.60 69.96 16.71 3 0 21.69 -999 ? CA CA A 154 >ILE~A 7 57.45 68.90 21.97 57.30 67.43 22.22 57.37 68.16 22.10 3 0 19.14 -999 ? CA CA A 154 >HIS~A 8 55.90 73.90 23.21 57.31 74.24 24.73 56.60 74.07 23.97 3 0 16.95 -999 ? CA CA A 154 >THR~A 9 52.53 72.33 18.56 52.98 72.86 16.51 52.75 72.60 17.53 2 0 18.14 -999 ? CA CA A 154 >VAL~A 10 51.27 68.78 19.22 52.02 66.69 18.93 51.64 67.74 19.08 3 0 15.48 -999 ? CL CL A 152 >ALA~A 11 50.35 69.75 22.84 51.33 70.13 23.91 50.84 69.94 23.37 2 0 12.63 -999 ? CA CA A 154 >ASN~A 12 49.26 74.23 21.32 47.87 75.81 21.12 48.57 75.02 21.22 2 0 11.52 -999 ? CA CA A 154 >ARG~A 13 45.90 71.62 15.68 43.31 71.43 13.93 44.60 71.53 14.81 2 0 13.88 -999 ? CL CL A 152 >LEU~A 14 46.46 67.84 22.15 46.18 65.71 22.29 46.32 66.78 22.22 3 0 9.35 -999 ? CL CL A 152 >ARG~A 15 46.91 72.85 26.79 49.93 72.24 26.96 48.42 72.54 26.88 2 0 9.73 -999 ? CA CA A 154 >GLU~A 16 44.05 75.29 20.50 45.06 76.08 18.78 44.56 75.68 19.64 2 0 -12.18 -999 ? CA CA A 154s >LEU~A 17 41.03 69.45 19.06 41.46 69.91 16.96 41.24 69.68 18.01 3 0 9.01 -999 ? CL CL A 152 >ASN~A 18 40.92 67.67 23.72 40.75 66.39 22.01 40.84 67.03 22.87 2 0 -5.13 -999 ? CL CL A 152s >PRO.A 19 37.67 72.29 24.89 39.60 71.34 25.55 38.63 71.82 25.22 3 0 -4.42 -999 ? CL CL A 152s >ASP.A 20 37.22 68.96 29.14 36.13 70.51 30.15 36.67 69.74 29.65 2 0 -5.32 -999 ? CL CL A 152s >MET^A 21 41.88 67.27 28.72 42.50 64.82 25.45 42.19 66.04 27.08 2 0 5.43 -999 ? CL CL A 152 >ASP^A 22 45.04 67.46 32.39 43.84 68.62 33.68 44.44 68.04 33.04 2 0 6.94 -999 ? CA CA A 154 >ILE^A 23 47.70 68.56 27.14 47.29 67.49 26.29 47.49 68.03 26.72 3 0 9.27 -999 ? CA CA A 154 >HIS^A 24 50.59 67.62 32.28 49.36 68.40 33.78 49.98 68.01 33.03 3 0 11.22 -999 ? CA CA A 154 >ILE.A 25 55.59 68.84 27.89 56.04 69.39 26.65 55.81 69.11 27.27 3 0 15.93 -999 ? CA CA A 154 >SER.A 26 56.43 65.87 31.75 55.86 64.50 33.69 56.15 65.18 32.72 2 0 18.04 -999 ? CA CA A 154 >SER.A 27 59.81 64.69 33.02 60.89 66.84 33.56 60.35 65.77 33.29 2 0 19.70 -999 ? CL CL B 152 >THR.A 28 58.07 61.61 34.45 56.92 61.52 36.31 57.50 61.57 35.38 2 0 21.16 -999 ? CA CA A 154 >ASP.A 29 58.29 57.12 32.68 58.07 55.66 31.11 58.18 56.39 31.89 2 0 24.00 -999 ? CL CL A 152 >ALA.A 30 53.94 58.03 31.33 53.45 58.26 29.93 53.69 58.14 30.63 2 0 18.56 -999 ? CL CL A 152 >LYS.A 31 54.09 54.39 32.46 55.16 49.12 32.89 54.63 51.76 32.68 2 0 26.19 -999 ? CL CL A 152 >VAL.A 32 54.09 55.56 36.09 56.23 55.17 36.46 55.16 55.36 36.28 3 0 23.50 -999 ? CL CL A 152 >TYR.A 33 52.28 61.42 35.01 51.06 63.88 35.44 51.67 62.65 35.22 3 0 16.33 -999 ? CA CA A 154 >ILE.A 34 50.05 59.82 39.90 49.42 58.57 40.24 49.73 59.20 40.07 3 0 19.76 -999 ? CA CA A 154 >PRO.A 35 46.42 60.66 35.87 47.75 61.89 37.22 47.08 61.28 36.54 3 0 15.30 -999 ? CL CL A 152 >THR.A 36 46.18 65.07 39.68 47.95 66.28 39.96 47.06 65.67 39.82 2 0 14.37 -999 ? CA CA A 154 >GLY.A 37 43.29 66.69 37.80 43.32 65.90 37.90 43.30 66.29 37.85 1 0 10.78 -999 ? CA CA A 154 >GLN.A 38 38.77 66.17 39.70 40.18 67.65 40.31 39.48 66.91 40.00 2 0 11.99 -999 ? CA CA A 154 >GLN.A 39 39.50 67.92 33.46 39.71 69.85 32.50 39.61 68.88 32.98 2 0 4.62 -999 ? CA CA A 154 >VAL^A 40 41.44 62.88 31.06 40.57 61.81 29.32 41.01 62.35 30.19 3 0 7.35 -999 ? CL CL A 152 >THR^A 41 45.26 63.20 31.12 46.32 63.55 33.02 45.79 63.38 32.07 2 0 11.66 -999 ? CL CL A 152 >VAL^A 42 47.65 62.99 28.14 46.80 62.89 26.06 47.22 62.94 27.10 3 0 10.50 -999 ? CL CL A 152 >LEU^A 43 52.24 62.36 29.32 52.19 62.74 31.50 52.21 62.55 30.41 3 0 15.82 -999 ? CL CL A 152 >ILE^A 44 53.25 65.68 24.63 52.43 65.36 23.50 52.84 65.52 24.06 3 0 15.26 -999 ? CL CL A 152 >HIS^A 45 58.49 61.00 25.98 60.44 60.36 26.39 59.46 60.68 26.18 3 0 22.69 -999 ? CL CL A 152 >TYR^A 46 61.90 64.38 21.41 63.96 64.21 19.53 62.93 64.29 20.47 3 0 20.05 -999 ? CL CL B 152 >CYH^A 47 61.22 59.77 21.94 58.70 58.66 21.74 59.96 59.22 21.84 2 0 23.08 -999 ? CL CL A 152 >GLY^A 48 64.21 60.66 19.74 63.52 60.66 19.27 63.87 60.66 19.51 1 0 22.24 -999 ? CL CL B 152 >SER^A 49 65.38 60.80 16.12 64.86 63.19 16.14 65.12 61.99 16.13 2 0 21.23 -999 ? CA CA A 153 >VAL^A 50 67.26 58.74 13.60 66.98 56.56 13.28 67.12 57.65 13.44 3 0 17.02 -999 ? CA CA A 153 >PHE^A 51 70.01 62.61 12.60 69.16 64.46 14.51 69.59 63.53 13.55 3 0 16.70 -999 ? CA CA A 153 >ALA.A 52 70.08 59.35 7.61 69.08 59.37 6.45 69.58 59.36 7.03 2 0 10.84 -999 ? CA CA A 153 >GLU.A 53 74.73 57.53 6.23 76.02 56.19 5.16 75.38 56.86 5.69 2 0 5.54 -999 ? CA CA A 153 >PRO.A 54 75.59 63.60 5.25 74.06 62.28 4.25 74.82 62.94 4.75 3 0 7.48 -999 ? CA CA A 153 >GLU.A 55 70.47 61.01 0.65 68.55 61.40 -0.07 69.51 61.21 0.29 2 0 9.92 -999 ? CA CA A 153 >ASN.A 56 76.15 60.76 -2.83 76.11 58.65 -2.53 76.13 59.71 -2.68 2 0 -3.29 -999 ? CA CA A 153s >THR.A 57 76.54 65.36 -1.08 74.52 65.67 -0.39 75.53 65.52 -0.73 2 0 8.52 -999 ? CA CA A 153 >ASP.A 58 79.60 69.08 -1.53 80.78 68.38 -3.13 80.19 68.73 -2.33 2 0 11.46 -999 ? CA CA A 153 >ALA.A 59 77.07 69.55 2.15 75.94 70.52 1.76 76.51 70.03 1.96 2 0 12.92 -999 ? CA CA A 153 >THR.A 60 76.35 67.92 5.51 77.60 67.30 7.17 76.97 67.61 6.34 2 0 11.78 -999 ? CA CA A 153 >VAL^A 61 72.57 67.82 5.19 71.63 69.04 3.61 72.10 68.43 4.40 3 0 12.75 -999 ? CA CA A 153 >GLN^A 62 72.91 64.42 8.00 73.87 63.28 9.54 73.39 63.85 8.77 2 0 11.53 -999 ? CA CA A 153 >LYS^A 63 67.09 63.68 6.68 62.42 60.69 3.53 64.76 62.18 5.10 2 0 15.99 -999 ? CA CA A 153 >GLN^A 64 65.62 64.45 12.60 65.85 66.17 13.84 65.73 65.31 13.22 2 0 19.97 -999 ? CA CA A 153 >LEU^A 65 62.70 59.74 10.85 60.91 58.52 10.50 61.80 59.13 10.68 3 0 19.17 -999 ? CA CA A 153 >ILE^A 66 60.86 63.87 14.66 60.94 65.22 14.84 60.90 64.55 14.75 3 0 23.30 -999 ? CA CA A 153 >ARG^A 67 60.30 56.40 16.42 61.55 55.30 13.81 60.93 55.85 15.12 2 0 21.35 -999 ? CA CA A 153 >ILE^A 68 56.18 62.85 18.84 56.02 64.23 18.75 56.10 63.54 18.79 3 0 20.07 -999 ? CL CL A 152 >SER^A 69 54.38 59.79 21.74 55.55 59.11 23.79 54.96 59.45 22.76 2 0 19.75 -999 ? CL CL A 152 >ALA^A 70 51.10 60.90 23.31 50.10 61.63 22.44 50.60 61.27 22.88 2 0 14.09 -999 ? CL CL A 152 >THR^A 71 49.99 58.65 26.21 51.42 57.34 27.22 50.70 58.00 26.71 2 0 17.03 -999 ? CL CL A 152 >VAL^A 72 46.47 58.65 27.65 45.00 58.09 26.06 45.74 58.37 26.86 3 0 12.13 -999 ? CL CL A 152 >ILE^A 73 47.36 58.61 32.20 48.62 58.65 32.82 47.99 58.63 32.51 3 0 14.96 -999 ? CL CL A 152 >VAL^A 74 42.70 57.42 32.82 41.58 57.63 30.92 42.14 57.52 31.87 3 0 12.35 -999 ? CL CL A 152 >PRO.A 75 40.63 56.98 36.63 41.31 55.57 35.00 40.97 56.27 35.81 3 0 15.22 -999 ? CL CL A 152 >GLN~A 76 36.55 53.64 34.54 34.56 54.41 34.66 35.56 54.03 34.60 2 0 16.03 -999 ? CL CL A 152 >ILE~A 77 39.77 49.40 30.19 40.08 48.89 29.55 39.93 49.14 29.87 3 0 18.91 -999 ? CL CL A 152 >SER~A 78 36.81 52.15 28.04 35.01 52.41 29.65 35.91 52.28 28.85 2 0 15.81 -999 ? CL CL A 152 >ASP~A 79 37.38 56.51 30.15 35.40 56.47 30.96 36.39 56.49 30.56 2 0 12.35 -999 ? CL CL A 152 >ALA~A 80 41.18 55.34 27.85 42.12 54.36 28.58 41.65 54.85 28.22 2 0 14.08 -999 ? CL CL A 152 >ILE~A 81 39.66 52.35 24.30 39.68 51.00 23.90 39.67 51.67 24.10 3 0 16.10 -999 ? CL CL A 152 >ASN~A 82 36.52 56.92 24.41 34.89 55.56 24.19 35.71 56.24 24.30 2 0 12.49 -999 ? CL CL A 152 >ALA~A 83 40.40 59.16 24.50 41.06 59.38 25.86 40.73 59.27 25.18 2 0 8.78 -999 ? CL CL A 152 >LEU~A 84 43.21 55.87 22.42 45.11 54.90 22.24 44.16 55.38 22.33 3 0 14.21 -999 ? CL CL A 152 >ASP~A 85 38.99 57.19 19.25 38.82 55.06 18.90 38.91 56.13 19.08 2 0 14.44 -999 ? CL CL A 152 >ARG~A 86 37.49 62.87 20.72 38.15 65.44 19.11 37.82 64.15 19.92 2 0 7.29 -999 ? CL CL A 152 >LEU~A 87 45.04 61.11 20.72 45.69 61.38 22.73 45.37 61.24 21.72 3 0 10.74 -999 ? CL CL A 152 >ARG~A 88 43.28 56.84 15.28 41.73 54.77 16.88 42.51 55.80 16.08 2 0 16.22 -999 ? CL CL A 152 >ARG~A 89 37.87 63.21 15.51 35.28 61.93 14.41 36.58 62.57 14.96 2 0 13.20 -999 ? CL CL A 152 >SER~A 90 43.12 65.38 16.60 42.01 65.74 18.77 42.56 65.56 17.68 2 0 8.60 -999 ? CL CL A 152 >LEU~A 91 47.70 64.12 16.64 48.18 65.12 18.55 47.94 64.62 17.59 3 0 13.51 -999 ? CL CL A 152 >GLY~A 92 46.85 62.70 12.36 46.65 63.49 12.48 46.75 63.10 12.42 1 0 17.11 -999 ? CL CL A 152 >GLY.A 93 47.93 64.84 9.41 47.98 65.13 10.09 47.96 64.98 9.75 1 0 19.67 -999 ? CL CL A 152 >ILE.A 94 48.32 68.61 12.60 48.20 68.47 14.00 48.26 68.54 13.30 3 0 16.52 -999 ? CL CL A 152 >GLU.A 95 50.17 71.69 7.76 50.88 70.22 6.34 50.52 70.96 7.05 2 0 23.81 -999 ? CL CL A 152 >LEU.A 96 54.97 69.68 12.53 54.14 68.11 13.83 54.55 68.90 13.18 3 0 21.16 -999 ? CL CL A 152 >PRO.A 97 56.38 74.08 14.44 56.10 73.48 12.28 56.24 73.78 13.36 3 0 22.66 -999 ? CA CA A 154 >ASP.A 98 60.81 74.17 10.92 60.52 76.23 11.44 60.67 75.20 11.18 2 0 22.07 -999 ? CL CL B 152 >CYH.A 99 58.76 70.00 9.10 58.41 68.94 11.60 58.58 69.47 10.35 2 0 25.10 -999 ? CA CA A 153 >ASP.A 100 59.94 68.41 4.71 60.70 66.46 5.10 60.32 67.43 4.91 2 0 19.77 -999 ? CA CA A 153 >ARG.A 101 56.01 63.03 6.20 56.52 61.64 8.92 56.26 62.33 7.56 2 0 23.31 -999 ? CA CA A 153 >PRO.A 102 51.03 66.46 5.94 52.79 66.39 7.36 51.91 66.43 6.65 3 0 24.01 -999 ? CL CL A 152 >LEU.A 103 51.84 64.96 12.55 52.43 64.39 14.55 52.14 64.67 13.55 3 0 19.22 -999 ? CL CL A 152 >TRP^A 104 52.18 61.58 7.63 54.58 59.75 5.10 53.38 60.67 6.37 3 0 25.34 -999 ? CA CA A 153 >LEU^A 105 49.14 57.59 12.84 47.58 58.74 13.81 48.36 58.16 13.33 3 0 19.01 -999 ? CL CL A 152 >GLU^A 106 55.38 54.24 13.80 57.31 54.68 14.63 56.35 54.46 14.22 2 0 25.26 -999 ? CA CA A 153 >SER^A 107 51.37 52.89 16.15 53.24 52.30 17.55 52.30 52.59 16.85 2 0 23.29 -999 ? CL CL A 152 >GLU^A 108 47.17 53.82 18.45 45.05 53.93 18.45 46.11 53.88 18.45 2 0 17.19 -999 ? CL CL A 152 >LYS^A 109 50.30 50.41 22.20 56.44 50.77 23.65 53.37 50.59 22.93 2 0 25.16 -999 ? CL CL A 152 >TYR^A 110 48.12 47.90 27.44 47.44 47.56 30.13 47.78 47.73 28.78 3 0 22.33 -999 ? CL CL A 152 >ILE^A 111 51.69 52.32 28.41 52.93 52.54 27.91 52.31 52.43 28.16 3 0 21.03 -999 ? CL CL A 152 >GLY^A 112 50.23 49.44 31.51 49.71 50.02 31.25 49.97 49.73 31.38 1 0 22.61 -999 ? CL CL A 152 >ASP~A 113 46.75 48.81 34.52 44.95 49.46 35.48 45.85 49.13 35.00 2 0 21.59 -999 ? CL CL A 152 >ALA~A 114 50.12 51.27 37.10 51.50 51.88 36.90 50.81 51.58 37.00 2 0 23.44 -999 ? CL CL A 152 >ALA~A 115 48.35 52.77 40.13 49.05 54.11 40.32 48.70 53.44 40.23 2 0 22.56 -999 ? CL CL A 152 >ASN~A 116 44.00 52.08 39.91 42.04 51.32 39.46 43.02 51.70 39.68 2 0 21.45 -999 ? CL CL A 152 >PHE~A 117 45.64 56.45 36.78 44.82 58.21 38.82 45.23 57.33 37.80 3 0 17.22 -999 ? CL CL A 152 >CYH^A 118 44.97 52.64 32.22 43.73 51.42 30.09 44.35 52.03 31.15 2 0 17.63 -999 ? CL CL A 152 >ARG^A 119 49.94 53.89 32.86 50.17 55.75 35.27 50.06 54.82 34.06 2 0 19.38 -999 ? CL CL A 152 >TYR^A 120 45.78 52.11 25.47 44.63 49.60 25.67 45.21 50.85 25.57 3 0 18.26 -999 ? CL CL A 152 >ALA^A 121 50.29 55.36 23.79 51.78 55.17 24.08 51.03 55.26 23.93 2 0 18.75 -999 ? CL CL A 152 >LEU^A 122 48.86 57.79 19.88 48.19 58.29 17.82 48.52 58.04 18.85 3 0 16.03 -999 ? CL CL A 152 >ASP^A 123 54.24 55.70 18.51 54.78 54.92 20.43 54.51 55.31 19.47 2 0 21.87 -999 ? CL CL A 152 >MET^A 124 53.79 59.38 15.72 50.88 61.86 17.31 52.33 60.62 16.52 2 0 16.71 -999 ? CL CL A 152 >THR^A 125 56.49 60.54 13.35 56.84 58.75 12.20 56.67 59.65 12.78 2 0 24.17 -999 ? CA CA A 153 >ALA^A 126 57.54 63.85 11.88 57.55 65.02 12.82 57.54 64.43 12.35 2 0 23.89 -999 ? CL CL A 152 >SER^A 127 60.20 64.60 9.29 61.06 63.88 7.15 60.63 64.24 8.22 2 0 19.11 -999 ? CA CA A 153 >THR^A 128 62.68 67.43 8.81 63.38 68.72 10.46 63.03 68.08 9.64 2 0 20.79 -999 ? CA CA A 153 >LEU^A 129 66.04 68.93 5.90 67.16 68.15 4.19 66.60 68.54 5.04 3 0 16.24 -999 ? CA CA A 153 >PHE^A 130 70.98 68.50 11.09 73.40 69.51 12.07 72.19 69.01 11.58 3 0 16.92 -999 ? CA CA A 153 >ILE^A 131 70.68 72.59 6.95 70.32 73.16 5.63 70.50 72.87 6.29 3 0 17.80 -999 ? CA CA A 153 >ALA.A 132 74.75 71.79 9.39 75.88 70.78 9.26 75.32 71.28 9.33 2 0 15.93 -999 ? CA CA A 153 >GLU.A 133 75.73 75.72 12.43 74.22 77.16 12.07 74.97 76.44 12.25 2 0 15.31 -999 ? CL CL B 152 >GLN.A 134 78.25 74.67 5.45 78.14 74.51 3.32 78.20 74.59 4.38 2 0 16.98 -999 ? CA CA A 153 >ASN.B -1 99.08 62.39 10.94 100.95 63.44 10.92 100.01 62.91 10.93 2 0 20.70 -999 ? CL CL C 152 >ALA.B 0 97.17 58.37 11.99 97.80 57.14 12.60 97.48 57.76 12.30 2 0 17.27 -999 ? CL CL C 152 >MET.B 1 94.09 59.28 13.96 90.18 58.92 14.61 92.14 59.10 14.28 2 0 19.05 -999 ? CA CA A 153 >GLU~B 2 96.82 60.73 17.75 98.03 62.33 18.43 97.43 61.53 18.09 2 0 15.92 -999 ? CL CL C 152 >THR~B 3 91.08 58.83 19.29 90.19 56.85 19.47 90.63 57.84 19.38 2 0 17.87 -999 ? CL CL C 152 >LEU~B 4 92.63 60.93 23.38 92.52 61.64 25.42 92.58 61.29 24.40 3 0 16.61 -999 ? CL CL C 152 >SER~B 5 92.27 64.07 20.01 94.64 64.21 19.51 93.46 64.14 19.76 2 0 18.55 -999 ? CL CL C 152 >VAL~B 6 88.95 63.47 18.23 88.24 62.18 16.58 88.60 62.83 17.41 3 0 20.94 -999 ? CA CA A 153 >ILE~B 7 86.69 62.39 22.51 87.04 61.17 23.22 86.86 61.78 22.87 3 0 19.50 -999 ? CA CA B 153 >HIS~B 8 90.96 66.13 24.00 91.97 65.13 25.55 91.46 65.63 24.78 3 0 17.46 -999 ? CA CA B 153 >THR~B 9 87.86 68.35 19.38 88.52 68.26 17.30 88.19 68.30 18.34 2 0 18.92 -999 ? CA CA B 153 >VAL~B 10 84.16 67.50 20.00 82.85 65.73 19.73 83.50 66.61 19.86 3 0 15.69 -999 ? CL CL B 152 >ALA~B 11 84.48 68.64 23.66 85.32 67.95 24.71 84.90 68.29 24.18 2 0 13.08 -999 ? CA CA B 153 >ASN~B 12 87.71 71.96 22.15 88.51 73.94 22.02 88.11 72.95 22.09 2 0 12.66 -999 ? CA CA B 153 >ARG~B 13 82.97 73.68 17.16 82.03 75.79 15.13 82.50 74.73 16.14 2 0 13.85 -999 ? CL CL B 152 >LEU~B 14 80.56 71.08 23.31 78.82 69.91 22.97 79.69 70.49 23.14 3 0 9.49 -999 ? CL CL B 152 >ARG~B 15 85.18 73.14 27.90 86.24 70.28 27.93 85.71 71.71 27.92 2 0 10.00 -999 ? CA CA B 153 >GLU~B 16 85.88 77.01 22.17 87.20 77.20 20.52 86.54 77.11 21.35 2 0 -12.57 -999 ? CA CA B 153s >LEU~B 17 79.44 76.64 20.47 79.92 76.98 18.38 79.68 76.81 19.42 3 0 8.86 -999 ? CL CL B 152 >ASN~B 18 77.54 75.32 24.86 76.66 74.88 22.94 77.10 75.10 23.90 2 0 -5.47 -999 ? CL CL B 152s >PRO.B 19 79.15 80.43 26.97 79.64 78.26 27.26 79.39 79.35 27.11 3 0 3.82 -999 ? CL CL B 152s >ASP.B 20 76.13 78.65 30.75 76.59 80.75 30.75 76.36 79.70 30.75 2 0 -4.45 -999 ? CL CL B 152s >MET^B 21 77.52 74.03 29.94 75.88 72.59 26.33 76.70 73.31 28.13 2 0 5.59 -999 ? CL CL B 152 >ASP^B 22 79.11 71.36 33.52 80.63 70.65 34.82 79.87 71.01 34.17 2 0 8.35 -999 ? CA CA B 153 >ILE^B 23 81.84 69.86 28.19 80.78 69.74 27.26 81.31 69.80 27.73 3 0 9.50 -999 ? CA CA B 153 >HIS^B 24 82.04 66.48 33.27 81.78 67.69 34.96 81.91 67.09 34.11 3 0 11.50 -999 ? CA CA B 153 >ILE^B 25 85.98 63.29 28.69 86.73 63.28 27.49 86.36 63.28 28.09 3 0 16.18 -999 ? CA CA B 153 >SER.B 26 83.70 60.68 32.17 82.46 62.32 33.49 83.08 61.50 32.83 2 0 16.13 -999 ? CA CA B 153 >SER.B 27 84.07 57.10 33.27 85.02 57.46 35.49 84.54 57.28 34.38 2 0 21.45 -999 ? CA CA B 153 >THR.B 28 80.51 56.97 34.67 79.73 57.70 36.59 80.12 57.33 35.63 2 0 21.30 -999 ? CA CA B 153 >ASP.B 29 76.96 54.66 32.27 75.53 54.47 30.66 76.24 54.56 31.47 2 0 23.87 -999 ? CL CL B 152 >ALA.B 30 75.51 59.04 31.41 75.50 59.67 30.06 75.51 59.36 30.74 2 0 18.63 -999 ? CL CL B 152 >LYS.B 31 72.50 56.90 32.23 69.02 51.77 30.82 70.76 54.33 31.52 2 0 27.41 -999 ? CL CL B 152 >VAL.B 32 73.32 56.93 35.97 74.02 54.83 36.24 73.67 55.88 36.11 3 0 24.00 -999 ? CL CL B 152 >TYR.B 33 77.32 61.72 35.59 78.96 63.84 36.33 78.14 62.78 35.96 3 0 16.52 -999 ? CA CA B 153 >ILE.B 34 74.15 62.08 40.34 73.20 61.66 41.35 73.68 61.87 40.84 3 0 20.48 -999 ? CA CA B 153 >PRO.B 35 73.93 66.04 36.55 75.27 65.43 38.21 74.60 65.73 37.38 3 0 15.56 -999 ? CA CA B 153 >THR.B 36 77.18 67.96 41.06 78.82 67.46 42.38 78.00 67.71 41.72 2 0 15.47 -999 ? CA CA B 153 >GLY.B 37 75.90 71.52 40.92 75.40 70.91 40.71 75.65 71.21 40.82 1 0 12.83 -999 ? CA CA B 153 >GLN.B 38 72.26 74.38 41.03 71.47 76.25 41.74 71.86 75.31 41.38 2 0 14.48 -999 ? CA CA B 153 >GLN.B 39 76.34 75.80 35.52 78.29 76.49 34.96 77.31 76.14 35.24 2 0 5.08 -999 ? CA CA B 153 >VAL^B 40 73.66 72.04 32.23 72.57 72.66 30.42 73.11 72.35 31.32 3 0 7.52 -999 ? CL CL B 152 >THR^B 41 75.77 68.88 32.08 76.33 67.93 33.94 76.05 68.40 33.01 2 0 11.97 -999 ? CA CA B 153 >VAL^B 42 77.04 67.08 28.97 76.69 68.08 27.02 76.87 67.58 28.00 3 0 10.59 -999 ? CL CL B 152 >LEU^B 43 78.80 62.69 29.97 78.64 62.82 32.16 78.72 62.76 31.06 3 0 15.92 -999 ? CA CA B 153 >ILE^B 44 82.33 64.00 25.47 81.74 64.64 24.38 82.04 64.32 24.92 3 0 15.31 -999 ? CL CL B 152 >HIS^B 45 81.04 57.12 26.38 81.60 55.14 26.79 81.32 56.13 26.58 3 0 22.67 -999 ? CL CL B 152 >TYR^B 46 85.81 56.19 21.90 86.73 54.34 20.02 86.27 55.26 20.96 3 0 20.44 -999 ? CL CL C 152 >CYH^B 47 81.51 54.32 22.27 79.04 55.77 22.31 80.28 55.04 22.29 2 0 22.26 -999 ? CA CA A 153 >GLY^B 48 83.85 52.26 20.10 83.54 52.92 19.67 83.69 52.59 19.88 1 0 21.55 -999 ? CA CA A 153 >SER^B 49 84.61 51.54 16.46 86.46 53.16 16.58 85.53 52.35 16.52 2 0 19.13 -999 ? CA CA A 153 >VAL^B 50 83.79 49.02 13.77 81.86 48.09 13.37 82.83 48.56 13.57 3 0 17.05 -999 ? CA CA A 153 >PHE^B 51 88.49 48.51 12.76 89.69 50.12 14.72 89.09 49.32 13.74 3 0 19.59 -999 ? CA CA A 153 >ALA.B 52 85.52 47.04 7.72 85.11 47.94 6.55 85.31 47.49 7.13 2 0 13.85 -999 ? CA CA A 153 >GLU.B 53 86.39 42.02 6.31 85.89 40.20 5.32 86.14 41.11 5.81 2 0 20.07 -999 ? CA CA A 153 >PRO.B 54 91.95 44.19 5.41 90.13 44.95 4.41 91.04 44.57 4.91 3 0 19.33 -999 ? CA CA A 153 >GLU.B 55 87.26 46.37 -0.92 85.92 47.99 -0.75 86.59 47.18 -0.83 2 0 12.80 -999 ? CA CA A 153 >ASN.B 56 90.07 42.37 -2.99 88.19 41.44 -2.63 89.13 41.90 -2.81 2 0 19.61 -999 ? CA CA A 153 >THR.B 57 94.36 44.28 -1.59 93.72 46.33 -1.13 94.04 45.31 -1.36 2 0 19.69 -999 ? CA CA A 153 >ASP.B 58 99.13 43.47 -1.49 99.16 42.07 -3.12 99.14 42.77 -2.31 2 0 26.75 -999 ? CA CA A 153 >ALA.B 59 97.99 46.11 2.03 98.19 47.59 1.72 98.09 46.85 1.88 2 0 22.87 -999 ? CA CA A 153 >THR.B 60 96.11 45.85 5.34 96.24 44.36 6.91 96.17 45.11 6.12 2 0 22.92 -999 ? CL CL C 152 >VAL^B 61 94.04 49.01 5.19 94.54 50.59 3.75 94.29 49.80 4.47 3 0 18.85 -999 ? CA CA A 153 >GLN^B 62 91.33 46.87 8.07 91.01 45.59 9.74 91.17 46.23 8.90 2 0 20.39 -999 ? CA CA A 153 >LYS^B 63 87.92 51.68 7.01 85.77 54.98 3.57 86.85 53.33 5.29 2 0 9.13 -999 ? CA CA A 153 >GLN^B 64 87.88 53.13 12.96 89.62 53.72 14.06 88.75 53.42 13.51 2 0 18.70 -999 ? CA CA A 153 >LEU^B 65 82.30 53.26 11.29 80.28 54.09 10.87 81.29 53.67 11.08 3 0 12.18 -999 ? CA CA A 153 >ILE^B 66 84.99 56.90 15.10 86.23 57.41 15.34 85.61 57.15 15.22 3 0 16.97 -999 ? CA CA A 153 >ARG^B 67 78.23 53.42 16.79 77.44 52.07 14.12 77.83 52.74 15.46 2 0 15.10 -999 ? CA CA A 153 >ILE^B 68 81.64 60.35 19.45 82.74 61.21 19.44 82.19 60.78 19.45 3 0 19.99 -999 ? CA CA A 153 >SER^B 69 77.96 60.10 22.21 77.97 58.74 24.20 77.96 59.42 23.20 2 0 19.72 -999 ? CL CL B 152 >ALA^B 70 77.20 63.44 23.86 77.32 64.71 23.03 77.26 64.07 23.44 2 0 14.13 -999 ? CL CL B 152 >THR^B 71 74.54 63.10 26.56 74.03 61.09 27.33 74.29 62.10 26.94 2 0 17.09 -999 ? CL CL B 152 >VAL^B 72 72.67 65.99 28.16 71.67 67.67 27.21 72.17 66.83 27.68 3 0 11.84 -999 ? CL CL B 152 >ILE^B 73 72.76 64.77 32.69 73.33 63.58 33.25 73.04 64.17 32.97 3 0 15.29 -999 ? CL CL B 152 >VAL^B 74 69.36 68.15 33.43 69.37 69.56 31.70 69.36 68.86 32.57 3 0 12.43 -999 ? CL CL B 152 >PRO.B 75 67.68 69.61 37.23 66.96 68.36 35.48 67.32 68.98 36.35 3 0 15.40 -999 ? CL CL B 152 >GLN~B 76 62.69 71.86 34.61 62.20 73.93 34.25 62.44 72.89 34.43 2 0 15.83 -999 ? CL CL B 152 >ILE~B 77 61.81 66.86 29.93 60.96 66.02 29.25 61.39 66.44 29.59 3 0 18.67 -999 ? CL CL B 152 >SER~B 78 62.25 71.29 28.34 61.65 72.97 29.94 61.95 72.13 29.14 2 0 15.26 -999 ? CL CL B 152 >ASP~B 79 66.34 72.70 30.54 65.15 74.19 31.45 65.75 73.45 31.00 2 0 12.08 -999 ? CL CL B 152 >ALA~B 80 67.09 68.87 28.14 66.55 67.52 28.68 66.82 68.20 28.41 2 0 14.11 -999 ? CL CL B 152 >ILE~B 81 63.96 69.16 24.42 62.81 68.53 23.78 63.39 68.84 24.10 3 0 15.79 -999 ? CL CL B 152 >ASN~B 82 66.40 74.00 25.18 64.49 74.89 24.80 65.44 74.45 24.99 2 0 12.00 -999 ? CL CL B 152 >ALA~B 83 70.21 71.59 25.27 70.60 71.02 26.61 70.41 71.30 25.94 2 0 8.80 -999 ? CL CL B 152 >LEU~B 84 68.96 67.63 22.79 68.99 65.53 22.24 68.98 66.58 22.52 3 0 14.20 -999 ? CL CL B 152 >ASP~B 85 68.02 72.23 19.92 66.18 71.31 19.26 67.10 71.77 19.59 2 0 14.23 -999 ? CL CL B 152 >ARG~B 86 72.22 76.21 21.39 74.72 77.25 19.92 73.47 76.73 20.66 2 0 7.47 -999 ? CL CL B 152 >LEU~B 87 74.37 68.73 21.51 74.95 68.13 23.47 74.66 68.43 22.49 3 0 10.84 -999 ? CL CL B 152 >ARG~B 88 70.00 67.61 16.01 67.66 69.09 17.35 68.83 68.35 16.68 2 0 15.67 -999 ? CL CL B 152 >ARG~B 89 71.86 75.86 16.60 70.87 77.93 14.55 71.37 76.89 15.58 2 0 13.64 -999 ? CL CL B 152 >SER~B 90 77.28 72.88 17.56 76.85 73.88 19.77 77.06 73.38 18.66 2 0 8.67 -999 ? CL CL B 152 >LEU~B 91 78.43 68.32 17.48 79.51 68.25 19.40 78.97 68.29 18.44 3 0 13.58 -999 ? CL CL B 152 >GLY~B 92 76.89 68.61 13.11 77.47 69.13 13.24 77.18 68.87 13.17 1 0 16.87 -999 ? CA CA A 153 >GLY.B 93 79.26 68.60 10.14 79.50 68.74 10.84 79.38 68.67 10.49 1 0 14.75 -999 ? CA CA A 153 >ILE.B 94 82.57 70.08 13.44 82.26 70.08 14.82 82.41 70.08 14.13 3 0 16.76 -999 ? CL CL B 152 >GLU.B 95 86.42 70.60 8.85 87.64 72.27 8.17 87.03 71.43 8.51 2 0 19.22 -999 ? CA CA A 153 >LEU.B 96 86.95 65.01 13.17 85.15 65.04 14.38 86.05 65.03 13.77 3 0 17.46 -999 ? CA CA A 153 >PRO.B 97 91.34 65.91 15.29 90.84 65.91 13.07 91.09 65.91 14.18 3 0 20.94 -999 ? CA CA A 153 >ASP.B 98 93.82 62.21 11.41 95.45 63.44 11.91 94.63 62.82 11.66 2 0 21.83 -999 ? CL CL C 152 >CYH.B 99 89.18 61.92 9.69 88.14 61.61 12.27 88.66 61.77 10.98 2 0 16.36 -999 ? CA CA A 153 >ASP.B 100 87.23 59.81 5.78 88.62 58.29 5.59 87.92 59.05 5.69 2 0 12.11 -999 ? CA CA A 153 >ARG.B 101 81.90 60.71 6.71 80.89 59.68 9.44 81.40 60.19 8.07 2 0 9.94 -999 ? CA CA A 153 >PRO.B 102 82.26 66.88 6.55 83.10 65.36 7.98 82.68 66.12 7.27 3 0 11.96 -999 ? CA CA A 153 >LEU.B 103 81.32 65.28 13.17 80.19 65.24 15.06 80.75 65.26 14.12 3 0 16.07 -999 ? CA CA A 153 >TRP^B 104 78.60 63.47 8.15 78.50 60.47 5.57 78.55 61.97 6.86 3 0 7.90 -999 ? CA CA A 153 >LEU^B 105 73.66 63.86 13.23 73.83 65.77 14.21 73.74 64.82 13.72 3 0 15.77 -999 ? CA CA A 153 >GLU^B 106 73.89 56.80 13.71 75.20 55.25 14.32 74.54 56.02 14.02 2 0 14.61 -999 ? CA CA A 153 >SER^B 107 70.61 59.44 16.32 71.06 57.34 17.54 70.83 58.39 16.93 2 0 18.63 -999 ? CA CA A 153 >GLU^B 108 69.19 63.63 18.51 68.18 65.49 18.42 68.69 64.56 18.47 2 0 17.18 -999 ? CL CL B 152 >LYS^B 109 67.49 59.21 22.09 71.49 54.60 20.83 69.49 56.91 21.46 2 0 21.84 -999 ? CA CA A 153 >TYR^B 110 63.95 59.60 27.12 63.21 59.72 29.80 63.58 59.66 28.46 3 0 22.14 -999 ? CL CL B 152 >ILE^B 111 69.48 58.03 28.10 70.17 56.99 27.34 69.83 57.51 27.72 3 0 21.43 -999 ? CL CL B 152 >GLY^B 112 66.05 58.00 31.11 66.32 58.73 30.93 66.19 58.37 31.02 1 0 22.65 -999 ? CL CL B 152 >ASP~B 113 63.61 60.05 34.30 62.98 61.78 35.33 63.30 60.92 34.81 2 0 22.25 -999 ? CL CL B 152 >ALA~B 114 67.41 58.35 36.88 68.59 57.40 36.68 68.00 57.87 36.78 2 0 23.84 -999 ? CL CL B 152 >ALA~B 115 67.74 60.38 40.09 69.24 60.58 40.32 68.49 60.48 40.20 2 0 22.80 -999 ? CL CL B 152 >ASN~B 116 64.45 63.45 39.58 62.87 62.24 40.38 63.66 62.84 39.98 2 0 24.29 -999 ? CL CL B 152 >PHE~B 117 69.66 64.79 37.23 70.61 66.25 39.44 70.13 65.52 38.34 3 0 17.68 -999 ? CL CL B 152 >CYH^B 118 66.29 63.86 32.24 63.83 65.00 32.41 65.06 64.43 32.33 2 0 18.46 -999 ? CL CL B 152 >ARG^B 119 69.82 60.06 32.85 71.45 60.69 35.38 70.63 60.38 34.11 2 0 19.69 -999 ? CL CL B 152 >TYR^B 120 66.87 63.76 25.49 64.10 63.57 25.39 65.48 63.66 25.44 3 0 17.82 -999 ? CL CL B 152 >ALA^B 121 71.96 61.35 24.08 72.44 59.92 24.26 72.20 60.64 24.17 2 0 18.73 -999 ? CL CL B 152 >LEU^B 122 73.50 64.03 20.39 73.52 64.90 18.34 73.51 64.46 19.36 3 0 15.92 -999 ? CL CL B 152 >ASP^B 123 74.36 58.31 18.85 74.05 57.42 20.77 74.20 57.86 19.81 2 0 20.93 -999 ? CA CA A 153 >MET^B 124 77.43 60.64 16.20 77.94 64.34 17.94 77.69 62.49 17.07 2 0 16.76 -999 ? CL CL B 152 >THR^B 125 79.87 59.04 13.81 78.62 57.80 12.52 79.24 58.42 13.17 2 0 12.37 -999 ? CA CA A 153 >ALA^B 126 83.32 59.88 12.56 84.39 60.32 13.56 83.85 60.10 13.06 2 0 15.12 -999 ? CA CA A 153 >SER^B 127 85.23 58.07 9.87 85.05 57.00 7.73 85.14 57.54 8.80 2 0 10.51 -999 ? CA CA A 153 >THR^B 128 88.89 57.35 9.35 90.47 57.35 10.86 89.68 57.35 10.10 2 0 16.59 -999 ? CA CA A 153 >LEU^B 129 91.67 55.43 6.09 91.56 54.22 4.31 91.61 54.82 5.20 3 0 15.01 -999 ? CA CA A 153 >PHE^B 130 93.92 50.82 11.17 96.12 49.53 12.32 95.02 50.17 11.75 3 0 18.33 -999 ? CL CL C 152 >ILE^B 131 97.32 53.03 7.13 97.68 53.73 5.90 97.50 53.38 6.52 3 0 21.18 -999 ? CA CA A 153 >ALA.B 132 98.71 49.01 9.26 98.43 47.52 9.01 98.57 48.27 9.13 2 0 19.46 -999 ? CL CL C 152 >GLU.B 133 102.72 50.30 12.22 103.86 52.09 12.01 103.29 51.19 12.11 2 0 14.96 -999 ? CL CL C 152 >GLN.B 134 105.10 49.23 5.44 105.06 49.62 3.32 105.08 49.42 4.38 2 0 23.57 -999 ? CL CL C 152 >ASN.C -1 102.21 23.32 10.77 103.93 22.08 10.89 103.07 22.70 10.83 2 0 19.98 -999 ? CL CL D 152 >ALA.C 0 97.81 22.89 11.95 97.20 21.75 12.74 97.51 22.32 12.34 2 0 16.67 -999 ? CL CL D 152 >MET.C 1 97.15 26.19 13.68 95.14 28.47 15.55 96.15 27.33 14.61 2 0 19.33 -999 ? CL CL D 152 >GLU~C 2 100.01 24.53 17.42 102.07 24.42 17.98 101.04 24.47 17.70 2 0 15.78 -999 ? CL CL D 152 >THR~C 3 95.52 28.55 19.02 93.41 28.36 19.26 94.46 28.45 19.14 2 0 17.54 -999 ? CL CL D 152 >LEU~C 4 98.18 28.26 23.02 98.48 28.74 25.08 98.33 28.50 24.05 3 0 16.18 -999 ? CL CL D 152 >SER~C 5 100.63 30.01 19.63 102.37 29.43 18.02 101.50 29.72 18.83 2 0 19.86 -999 ? CL CL D 152 >VAL~C 6 98.48 32.67 17.91 96.90 32.66 16.33 97.69 32.67 17.12 3 0 21.75 -999 ? CA CA C 153 >ILE~C 7 96.76 33.51 22.41 95.50 34.30 22.65 96.13 33.90 22.53 3 0 19.04 -999 ? CA CA C 153 >HIS~C 8 101.96 32.03 23.59 101.72 30.73 25.23 101.84 31.38 24.41 3 0 -16.96 -999 ? CA CA C 153s >THR~C 9 102.24 35.92 18.97 102.50 35.31 16.90 102.37 35.62 17.93 2 0 18.27 -999 ? CA CA C 153 >VAL~C 10 99.83 38.75 19.91 97.63 38.99 19.80 98.73 38.87 19.86 3 0 15.50 -999 ? CL CL C 152 >ALA~C 11 101.23 38.97 23.47 101.14 37.84 24.49 101.18 38.40 23.98 2 0 12.50 -999 ? CA CA C 153 >ASN~C 12 105.58 37.78 21.67 107.61 38.17 21.32 106.60 37.98 21.49 2 0 11.95 -999 ? CA CA C 153 >ARG~C 13 104.28 43.11 16.92 104.95 45.15 14.68 104.61 44.13 15.80 2 0 13.51 -999 ? CL CL C 152 >LEU~C 14 101.29 43.27 22.82 99.51 44.44 22.85 100.40 43.85 22.84 3 0 9.59 -999 ? CL CL C 152 >ARG~C 15 105.38 40.31 27.28 103.43 37.97 27.49 104.40 39.14 27.38 2 0 9.80 -999 ? CA CA C 153 >GLU~C 16 109.07 41.92 21.59 109.76 40.82 19.96 109.42 41.37 20.77 2 0 -11.74 -999 ? CA CA C 153s >LEU~C 17 105.46 47.44 20.07 105.88 46.91 18.00 105.67 47.18 19.04 3 0 8.71 -999 ? CL CL C 152 >ASN~C 18 103.67 48.19 24.71 102.70 48.75 22.89 103.18 48.47 23.80 2 0 -5.28 -999 ? CL CL C 152s >PRO.C 19 109.10 49.26 26.30 107.48 47.74 26.65 108.29 48.50 26.47 3 0 3.86 -999 ? CL CL C 152s >ASP.C 20 106.43 50.87 30.21 108.53 51.33 30.26 107.48 51.10 30.24 2 0 -4.65 -999 ? CL CL C 152s >MET^C 21 102.76 47.65 29.68 100.53 48.04 26.22 101.64 47.84 27.95 2 0 5.71 -999 ? CL CL C 152 >ASP^C 22 101.53 44.70 33.25 101.99 42.95 34.36 101.76 43.83 33.80 2 0 8.18 -999 ? CA CA C 153 >ILE^C 23 101.24 41.83 27.91 100.50 42.68 27.04 100.87 42.26 27.48 3 0 9.19 -999 ? CA CA C 153 >HIS^C 24 98.72 39.70 32.90 99.91 40.46 34.45 99.31 40.08 33.67 3 0 11.36 -999 ? CA CA C 153 >ILE.C 25 97.47 34.80 28.37 97.80 34.17 27.19 97.63 34.49 27.78 3 0 15.98 -999 ? CA CA C 153 >SER.C 26 94.67 35.43 32.34 93.80 36.50 34.35 94.24 35.96 33.34 2 0 17.90 -999 ? CA CA C 153 >SER.C 27 91.90 33.10 33.52 92.16 32.60 35.90 92.03 32.85 34.71 2 0 21.72 -999 ? CA CA C 153 >THR.C 28 90.00 36.13 34.88 90.30 37.11 36.82 90.15 36.62 35.85 2 0 21.25 -999 ? CA CA C 153 >ASP.C 29 86.11 38.31 32.88 85.08 39.26 31.21 85.59 38.78 32.05 2 0 23.85 -999 ? CL CL C 152 >ALA.C 30 89.07 41.62 31.75 89.53 41.96 30.36 89.30 41.79 31.06 2 0 18.57 -999 ? CL CL C 152 >LYS.C 31 85.79 43.24 32.88 79.44 43.84 32.05 82.62 43.54 32.46 2 0 27.40 -999 ? CL CL C 152 >VAL.C 32 86.50 42.30 36.51 85.15 40.57 36.80 85.83 41.43 36.65 3 0 23.86 -999 ? CL CL C 152 >TYR.C 33 92.63 41.35 35.75 95.32 41.03 36.35 93.98 41.19 36.05 3 0 16.38 -999 ? CA CA C 153 >ILE.C 34 91.54 44.30 40.53 90.75 44.80 41.58 91.14 44.55 41.06 3 0 20.54 -999 ? CA CA C 153 >PRO.C 35 94.65 46.44 36.49 94.99 45.05 38.21 94.82 45.75 37.35 3 0 15.54 -999 ? CA CA C 153 >THR.C 36 98.29 44.50 40.87 98.91 42.55 41.58 98.60 43.52 41.22 2 0 15.04 -999 ? CA CA C 153 >GLY.C 37 100.56 47.35 39.76 99.81 47.42 39.49 100.19 47.39 39.63 1 0 12.43 -999 ? CA CA C 153 >GLN.C 38 100.55 51.95 40.46 101.61 53.24 41.77 101.08 52.59 41.11 2 0 15.34 -999 ? CA CA C 153 >GLN.C 39 104.05 48.93 34.70 105.34 47.34 34.05 104.69 48.13 34.38 2 0 5.21 -999 ? CA CA C 153 >VAL^C 40 99.09 49.97 31.85 98.73 51.28 30.13 98.91 50.62 30.99 3 0 7.68 -999 ? CL CL C 152 >THR^C 41 97.56 46.50 31.85 97.32 45.50 33.77 97.44 46.00 32.81 2 0 11.94 -999 ? CA CA C 153 >VAL^C 42 96.35 44.50 28.86 96.91 45.23 26.83 96.63 44.86 27.84 3 0 10.73 -999 ? CL CL C 152 >LEU^C 43 93.42 40.85 29.97 93.79 40.64 32.15 93.60 40.75 31.06 3 0 15.97 -999 ? CA CA C 153 >ILE^C 44 96.01 38.69 25.21 96.95 38.94 24.20 96.48 38.82 24.71 3 0 15.23 -999 ? CL CL C 152 >HIS^C 45 89.57 36.10 26.47 88.03 34.74 26.91 88.80 35.42 26.69 3 0 22.75 -999 ? CL CL C 152 >TYR^C 46 90.68 31.52 21.86 89.43 29.90 19.99 90.05 30.71 20.92 3 0 19.85 -999 ? CL CL D 152 >CYH^C 47 87.04 34.47 22.33 87.17 37.26 22.33 87.11 35.87 22.33 2 0 23.25 -999 ? CL CL C 152 >GLY^C 48 86.31 31.45 20.20 86.70 32.05 19.74 86.50 31.75 19.97 1 0 22.12 -999 ? CL CL D 152 >SER^C 49 86.05 30.35 16.58 88.39 29.63 16.51 87.22 29.99 16.55 2 0 21.20 -999 ? CL CL D 152 >VAL^C 50 83.42 29.91 13.90 81.74 31.31 13.54 82.58 30.61 13.72 3 0 25.91 -999 ? CL CL D 152 >PHE^C 51 85.24 25.52 12.84 87.25 25.26 14.77 86.24 25.39 13.81 3 0 20.59 -999 ? CL CL D 152 >ALA.C 52 82.60 27.34 7.87 83.25 28.10 6.71 82.93 27.72 7.29 2 0 28.31 -999 ? CL CL D 152 >GLU.C 53 79.10 24.52 5.06 77.09 23.95 4.76 78.10 24.24 4.91 2 0 29.18 -999 ? CA CA D 153 >PRO.C 54 83.15 20.33 5.69 82.96 22.30 4.70 83.06 21.31 5.19 3 0 24.93 -999 ? CA CA D 153 >GLU.C 55 84.19 25.25 -1.09 83.45 27.09 -0.34 83.82 26.17 -0.72 2 0 31.26 -999 ? CA CA A 153 >ASN.C 56 80.42 20.55 -1.20 79.18 18.88 -1.75 79.80 19.71 -1.48 2 0 28.82 -999 ? CA CA D 153 >THR.C 57 84.87 18.40 -1.59 86.31 20.01 -1.32 85.59 19.20 -1.45 2 0 27.66 -999 ? CA CA D 153 >ASP.C 58 86.65 13.88 -1.91 85.29 13.35 -3.46 85.97 13.61 -2.68 2 0 25.67 -999 ? CA CA D 153 >ALA.C 59 88.21 16.42 1.84 89.46 17.19 1.46 88.84 16.81 1.65 2 0 23.58 -999 ? CA CA D 153 >THR.C 60 86.87 17.58 5.18 85.65 16.59 6.70 86.26 17.08 5.94 2 0 19.81 -999 ? CA CA D 153 >VAL^C 61 88.52 20.98 5.26 90.28 21.38 4.01 89.40 21.18 4.63 3 0 24.44 -999 ? CA CA D 153 >GLN^C 62 85.41 22.12 8.27 84.04 21.73 9.86 84.72 21.93 9.07 2 0 22.58 -999 ? CL CL D 152 >LYS^C 63 87.61 27.67 7.14 87.86 32.65 4.04 87.73 30.16 5.59 2 0 27.39 -999 ? CA CA A 153 >GLN^C 64 88.99 28.36 13.02 90.37 27.20 14.16 89.68 27.78 13.59 2 0 20.00 -999 ? CL CL D 152 >LEU^C 65 86.55 33.37 11.40 86.40 35.47 10.88 86.47 34.42 11.14 3 0 27.27 -999 ? CA CA A 153 >ILE^C 66 90.94 32.76 15.51 91.54 32.13 15.27 91.24 32.44 15.39 3 0 23.26 -999 ? CL CL D 152 >ARG^C 67 84.50 36.73 16.80 82.98 36.51 14.11 83.74 36.62 15.45 2 0 25.99 -999 ? CA CA A 153 >ILE^C 68 92.15 37.40 19.38 93.48 36.90 19.30 92.81 37.15 19.34 3 0 20.15 -999 ? CL CL C 152 >SER^C 69 90.32 40.38 22.36 89.30 39.51 24.35 89.81 39.95 23.35 2 0 19.91 -999 ? CL CL C 152 >ALA^C 70 92.95 42.62 23.96 94.09 43.13 23.09 93.52 42.87 23.53 2 0 14.27 -999 ? CL CL C 152 >THR^C 71 91.54 44.68 26.79 89.65 44.14 27.70 90.59 44.41 27.25 2 0 17.17 -999 ? CL CL C 152 >VAL^C 72 93.32 47.66 28.30 93.39 49.25 26.79 93.36 48.46 27.54 3 0 12.30 -999 ? CL CL C 152 >ILE^C 73 92.60 46.88 32.85 91.93 45.74 33.43 92.27 46.31 33.14 3 0 15.27 -999 ? CL CL C 152 >VAL^C 74 93.80 51.63 33.23 94.54 53.23 31.90 94.17 52.43 32.57 3 0 12.66 -999 ? CL CL C 152 >PRO.C 75 94.54 53.64 37.14 92.96 53.65 35.54 93.75 53.64 36.34 3 0 15.23 -999 ? CL CL C 152 >GLN~C 76 92.90 59.21 35.17 94.15 60.94 34.90 93.53 60.08 35.03 2 0 17.02 -999 ? CL CL C 152 >ILE~C 77 87.99 57.78 30.87 87.48 57.56 30.31 87.74 57.67 30.59 3 0 19.23 -999 ? CL CL C 152 >SER~C 78 91.85 59.24 28.64 92.87 60.91 30.08 92.36 60.08 29.36 2 0 16.28 -999 ? CL CL C 152 >ASP~C 79 95.42 56.74 30.82 96.31 58.48 31.66 95.86 57.61 31.24 2 0 12.70 -999 ? CL CL C 152 >ALA~C 80 92.58 54.05 28.37 91.20 53.72 28.96 91.89 53.89 28.66 2 0 14.59 -999 ? CL CL C 152 >ILE~C 81 91.06 56.94 24.83 89.98 57.72 24.42 90.52 57.33 24.63 3 0 16.31 -999 ? CL CL C 152 >ASN~C 82 96.46 57.28 25.21 96.19 59.39 24.89 96.33 58.34 25.05 2 0 12.59 -999 ? CL CL C 152 >ALA~C 83 96.31 52.78 25.37 96.01 52.15 26.74 96.16 52.46 26.06 2 0 9.43 -999 ? CL CL C 152 >LEU~C 84 92.32 51.82 22.63 90.61 50.55 22.42 91.47 51.19 22.53 3 0 14.57 -999 ? CL CL C 152 >ASP~C 85 95.79 54.98 20.15 94.09 56.16 19.65 94.94 55.57 19.90 2 0 14.35 -999 ? CL CL C 152 >ARG~C 86 101.29 53.55 21.60 103.14 52.09 19.63 102.21 52.82 20.61 2 0 7.65 -999 ? CL CL C 152 >LEU~C 87 96.05 47.67 21.36 95.97 46.99 23.40 96.01 47.33 22.38 3 0 11.01 -999 ? CL CL C 152 >ARG~C 88 93.42 51.74 15.49 92.60 53.80 17.61 93.01 52.77 16.55 2 0 16.01 -999 ? CL CL C 152 >ARG~C 89 100.80 53.02 14.70 102.31 55.74 14.55 101.56 54.38 14.62 2 0 13.54 -999 ? CL CL C 152 >SER~C 90 100.91 47.44 17.44 101.52 48.40 19.61 101.21 47.92 18.53 2 0 8.60 -999 ? CL CL C 152 >LEU~C 91 97.57 44.09 17.28 98.14 43.17 19.22 97.86 43.63 18.25 3 0 13.59 -999 ? CL CL C 152 >GLY~C 92 96.86 45.68 13.09 97.61 45.42 13.22 97.24 45.55 13.15 1 0 17.04 -999 ? CL CL C 152 >GLY.C 93 98.15 43.65 10.12 98.37 43.45 10.80 98.26 43.55 10.46 1 0 19.64 -999 ? CL CL C 152 >ILE.C 94 101.17 41.26 13.22 101.07 41.48 14.61 101.12 41.37 13.91 3 0 16.68 -999 ? CL CL C 152 >GLU.C 95 102.98 38.44 8.35 101.74 38.03 6.61 102.36 38.24 7.48 2 0 24.32 -999 ? CL CL C 152 >LEU.C 96 98.77 35.12 13.00 97.98 36.64 14.39 98.38 35.88 13.69 3 0 21.23 -999 ? CL CL C 152 >PRO.C 97 101.93 31.76 14.92 101.51 32.25 12.74 101.72 32.00 13.83 3 0 22.73 -999 ? CA CA C 153 >ASP.C 98 99.84 27.78 11.33 101.81 27.03 11.73 100.83 27.40 11.53 2 0 21.49 -999 ? CL CL D 152 >CYH.C 99 97.18 31.52 9.44 96.45 32.18 12.09 96.82 31.85 10.76 2 0 24.34 -999 ? CL CL D 152 >ASP.C 100 94.60 32.11 5.34 93.99 30.14 5.49 94.30 31.12 5.42 2 0 27.53 -999 ? CL CL D 152 >ARG.C 101 92.69 37.32 6.60 91.35 37.63 9.38 92.02 37.47 7.99 2 0 26.01 -999 ? CA CA A 153 >PRO.C 102 98.10 40.07 6.46 97.30 38.57 7.91 97.70 39.32 7.19 3 0 24.13 -999 ? CL CL C 152 >LEU.C 103 96.37 40.23 13.01 95.68 41.08 14.90 96.02 40.65 13.96 3 0 18.99 -999 ? CL CL C 152 >TRP^C 104 93.30 41.60 8.04 90.51 40.09 5.70 91.90 40.84 6.87 3 0 23.07 -999 ? CA CA A 153 >LEU^C 105 91.24 46.09 13.42 93.12 46.83 14.29 92.18 46.46 13.86 3 0 19.07 -999 ? CL CL C 152 >GLU^C 106 85.43 42.15 14.27 84.46 41.21 15.93 84.94 41.68 15.10 2 0 23.85 -999 ? CA CA A 153 >SER^C 107 86.04 46.36 16.63 84.71 44.79 17.89 85.38 45.58 17.26 2 0 23.06 -999 ? CA CA A 153 >GLU^C 108 88.93 49.65 19.06 89.93 51.48 18.64 89.43 50.57 18.85 2 0 17.50 -999 ? CL CL C 152 >LYS^C 109 84.24 48.46 22.54 82.29 43.56 20.12 83.27 46.01 21.33 2 0 24.93 -999 ? CA CA A 153 >TYR^C 110 83.16 51.70 27.68 83.20 52.56 30.34 83.18 52.13 29.01 3 0 22.33 -999 ? CL CL C 152 >ILE^C 111 85.06 46.20 28.67 84.57 44.94 28.14 84.81 45.57 28.41 3 0 21.32 -999 ? CL CL C 152 >GLY^C 112 83.38 49.13 31.64 84.13 49.22 31.46 83.75 49.17 31.55 1 0 22.59 -999 ? CL CL C 152 >ASP~C 113 84.36 52.30 34.74 82.40 52.63 35.50 83.38 52.46 35.12 2 0 24.60 -999 ? CL CL C 152 >ALA~C 114 84.69 48.22 37.52 84.41 46.72 37.34 84.55 47.47 37.43 2 0 23.83 -999 ? CL CL C 152 >ALA~C 115 86.90 48.55 40.61 87.62 47.22 40.76 87.26 47.89 40.69 2 0 22.86 -999 ? CL CL C 152 >ASN~C 116 88.68 52.63 40.78 87.25 53.16 42.22 87.97 52.89 41.50 2 0 23.86 -999 ? CL CL C 152 >PHE~C 117 91.62 49.59 37.26 93.79 49.51 39.06 92.70 49.55 38.16 3 0 17.04 -999 ? CL CL C 152 >CYH^C 118 88.48 51.96 32.81 87.93 54.59 33.37 88.21 53.27 33.09 2 0 18.97 -999 ? CL CL C 152 >ARG^C 119 87.21 46.93 33.26 88.74 45.83 35.66 87.98 46.38 34.46 2 0 19.52 -999 ? CL CL C 152 >TYR^C 120 88.07 51.56 25.92 86.43 53.81 25.99 87.25 52.69 25.95 3 0 18.23 -999 ? CL CL C 152 >ALA^C 121 88.71 46.06 24.30 87.79 44.88 24.53 88.25 45.47 24.42 2 0 18.76 -999 ? CL CL C 152 >LEU^C 122 91.56 46.17 20.39 92.35 46.60 18.34 91.96 46.38 19.37 3 0 16.04 -999 ? CL CL C 152 >ASP^C 123 87.06 42.53 18.97 86.12 42.30 20.85 86.59 42.41 19.91 2 0 21.96 -999 ? CL CL C 152 >MET^C 124 90.58 41.13 16.27 94.14 42.47 17.88 92.36 41.80 17.07 2 0 16.72 -999 ? CL CL C 152 >THR^C 125 90.30 38.24 13.82 88.56 38.73 12.59 89.43 38.48 13.21 2 0 25.20 -999 ? CA CA A 153 >ALA^C 126 92.63 35.69 12.37 93.60 35.14 13.35 93.11 35.42 12.86 2 0 23.92 -999 ? CL CL C 152 >SER^C 127 91.96 33.08 9.72 90.87 32.71 7.62 91.42 32.89 8.67 2 0 28.13 -999 ? CL CL D 152 >THR^C 128 93.19 29.55 9.09 93.85 28.29 10.73 93.52 28.92 9.91 2 0 22.43 -999 ? CL CL D 152 >LEU^C 129 92.68 25.84 6.10 92.13 26.63 4.22 92.40 26.23 5.16 3 0 25.70 -999 ? CL CL D 152 >PHE^C 130 89.87 21.93 11.31 89.66 19.36 12.43 89.77 20.65 11.87 3 0 17.96 -999 ? CL CL D 152 >ILE^C 131 93.60 20.20 7.26 94.37 20.32 6.03 93.98 20.26 6.64 3 0 21.53 -999 ? CL CL D 152 >ALA.C 132 90.74 17.03 9.43 89.28 16.63 9.21 90.01 16.83 9.32 2 0 18.11 -999 ? CA CA D 153 >GLU.C 133 93.98 14.11 12.08 95.92 14.41 11.26 94.95 14.26 11.67 2 0 15.52 -999 ? CL CL D 152 >GLN.C 134 93.46 8.74 6.33 91.78 7.77 5.39 92.62 8.26 5.86 2 0 15.26 -999 ? CA CA D 153 >ASN.D -1 70.74 0.86 10.32 70.92 -1.27 10.14 70.83 -0.21 10.23 2 0 20.23 -999 ? CA CA D 153 >ALA.D 0 67.83 4.28 12.10 66.49 4.22 12.81 67.16 4.25 12.46 2 0 16.73 -999 ? CL CL E 152 >MET.D 1 70.28 6.47 14.00 71.62 10.14 14.95 70.95 8.31 14.48 2 0 19.82 -999 ? CA CA D 153 >GLU~D 2 70.27 3.42 17.83 71.18 1.66 18.49 70.72 2.54 18.16 2 0 15.78 -999 ? CL CL E 152 >THR~D 3 71.38 9.30 19.27 70.02 10.92 19.50 70.70 10.11 19.39 2 0 17.39 -999 ? CL CL E 152 >LEU~D 4 72.51 6.81 23.25 73.01 6.81 25.36 72.76 6.81 24.31 3 0 16.33 -999 ? CL CL E 152 >SER~D 5 75.45 5.75 19.89 74.29 3.68 19.32 74.87 4.72 19.60 2 0 14.84 -999 ? CA CA D 153 >VAL~D 6 76.60 9.01 18.24 75.85 10.41 16.73 76.23 9.71 17.49 3 0 15.28 -999 ? CA CA D 153 >ILE~D 7 76.41 10.68 22.89 76.22 12.11 22.93 76.31 11.40 22.91 3 0 16.60 -999 ? CA CA D 153 >HIS~D 8 77.69 5.68 24.01 76.37 5.33 25.60 77.03 5.51 24.81 3 0 13.90 -999 ? CA CA D 153 >THR~D 9 81.29 7.24 19.48 80.90 6.69 17.44 81.10 6.97 18.46 2 0 9.76 -999 ? CA CA D 153 >VAL~D 10 82.41 10.84 20.10 81.56 12.83 19.68 81.99 11.83 19.89 3 0 12.59 -999 ? CA CA D 153 >ALA~D 11 83.22 10.05 23.76 82.21 9.66 24.84 82.72 9.86 24.30 2 0 12.19 -999 ? CA CA D 153 >ASN~D 12 84.46 5.59 22.34 85.85 4.02 22.03 85.15 4.80 22.19 2 0 5.10 -999 ? CA CA D 153 >ARG~D 13 88.65 8.48 17.55 90.13 9.58 15.03 89.39 9.03 16.29 2 0 9.17 -999 ? CA CA D 153 >LEU~D 14 87.21 12.13 23.32 86.88 14.19 22.78 87.04 13.16 23.05 3 0 9.76 -999 ? CL CL D 152 >ARG~D 15 86.73 7.24 27.81 83.72 7.62 27.89 85.22 7.43 27.85 2 0 10.47 -999 ? CA CA D 154 >GLU~D 16 90.00 4.61 22.01 89.02 3.66 20.38 89.51 4.14 21.19 2 0 -2.70 -999 ? CA CA D 153s >LEU~D 17 92.83 10.50 20.18 92.69 9.82 18.11 92.76 10.16 19.15 3 0 8.62 -999 ? CL CL D 152 >ASN~D 18 92.62 12.73 24.72 92.63 13.78 22.86 92.62 13.26 23.79 2 0 -5.27 -999 ? CL CL D 152s >PRO.D 19 96.30 8.70 26.61 94.18 9.37 26.98 95.24 9.04 26.79 3 0 3.76 -999 ? CL CL D 152s >ASP.D 20 96.24 12.42 30.19 97.90 11.12 30.35 97.07 11.77 30.27 2 0 -4.38 -999 ? CL CL D 152s >MET.D 21 91.62 13.45 29.72 91.01 15.61 26.28 91.31 14.53 28.00 2 0 5.86 -999 ? CL CL D 152 >ASP^D 22 88.51 13.16 33.30 87.26 11.98 34.53 87.88 12.57 33.92 2 0 8.00 -999 ? CA CA D 154 >ILE^D 23 85.81 11.60 28.09 86.15 12.65 27.19 85.98 12.13 27.64 3 0 9.59 -999 ? CA CA D 154 >HIS^D 24 82.84 12.81 33.25 84.11 12.30 34.83 83.47 12.55 34.04 3 0 11.30 -999 ? CA CA D 154 >ILE^D 25 77.88 11.23 28.72 77.49 10.64 27.52 77.68 10.93 28.12 3 0 16.49 -999 ? CA CA D 154 >SER.D 26 76.93 14.11 32.59 77.36 15.55 34.56 77.14 14.83 33.57 2 0 18.09 -999 ? CA CA D 154 >SER.D 27 73.50 15.48 33.64 71.95 13.65 34.16 72.73 14.56 33.90 2 0 20.49 -999 ? CL CL E 152 >THR.D 28 75.27 18.59 34.99 76.20 18.93 36.96 75.73 18.76 35.97 2 0 21.21 -999 ? CA CA D 154 >ASP.D 29 74.94 22.94 32.86 75.43 24.36 31.33 75.18 23.65 32.10 2 0 24.17 -999 ? CL CL D 152 >ALA.D 30 79.45 22.09 31.88 80.07 21.61 30.58 79.76 21.85 31.23 2 0 18.74 -999 ? CL CL D 152 >LYS.D 31 79.05 25.80 32.62 77.02 31.70 31.43 78.04 28.75 32.03 2 0 27.33 -999 ? CL CL D 152 >VAL.D 32 78.82 24.87 36.36 76.64 25.05 36.70 77.73 24.96 36.53 3 0 23.80 -999 ? CA CA D 154 >TYR.D 33 80.99 18.93 35.99 81.90 16.38 36.71 81.44 17.65 36.35 3 0 16.23 -999 ? CA CA D 154 >ILE.D 34 82.83 21.80 40.72 82.84 22.89 41.69 82.84 22.35 41.21 3 0 20.37 -999 ? CA CA D 154 >PRO.D 35 86.14 19.45 36.80 85.25 18.98 38.84 85.70 19.22 37.82 3 0 15.12 -999 ? CA CA D 154 >THR.D 36 87.66 17.23 41.92 86.77 15.44 42.81 87.22 16.33 42.37 2 0 15.03 -999 ? CA CA D 154 >GLY.D 37 91.33 17.43 41.04 90.78 17.99 40.78 91.06 17.71 40.91 1 0 13.58 -999 ? CA CA D 154 >GLN.D 38 93.65 21.15 39.92 95.26 22.19 40.82 94.46 21.67 40.37 2 0 17.05 -999 ? CL CL D 152 >GLN.D 39 91.78 14.77 35.55 91.65 12.60 35.45 91.71 13.68 35.50 2 0 6.36 -999 ? CA CA D 154 >VAL.D 40 91.70 17.91 31.94 92.49 18.54 29.99 92.10 18.23 30.97 3 0 8.05 -999 ? CL CL D 152 >THR^D 41 87.94 17.21 32.16 86.81 17.11 34.05 87.37 17.16 33.10 2 0 11.71 -999 ? CA CA D 154 >VAL^D 42 85.65 17.00 29.13 86.62 17.00 27.17 86.14 17.00 28.15 3 0 10.94 -999 ? CL CL D 152 >LEU^D 43 81.05 17.78 30.22 81.05 17.48 32.38 81.05 17.63 31.30 3 0 15.87 -999 ? CA CA D 154 >ILE^D 44 80.35 14.25 25.53 81.18 14.62 24.45 80.76 14.43 24.99 3 0 15.52 -999 ? CL CL D 152 >HIS^D 45 74.79 18.52 26.66 72.80 19.05 27.06 73.80 18.79 26.86 3 0 23.07 -999 ? CA CA D 154 >TYR^D 46 71.68 15.14 22.07 69.62 15.44 20.22 70.65 15.29 21.15 3 0 20.09 -999 ? CL CL E 152 >CYH^D 47 72.22 19.72 22.53 74.68 21.06 22.48 73.45 20.39 22.51 2 0 23.37 -999 ? CL CL D 152 >GLY^D 48 69.35 18.80 20.23 70.07 18.79 19.79 69.71 18.79 20.01 1 0 22.25 -999 ? CL CL E 152 >SER^D 49 68.32 18.53 16.59 68.82 16.12 16.58 68.57 17.33 16.59 2 0 21.34 -999 ? CL CL E 152 >VAL^D 50 66.64 20.51 13.87 66.83 22.68 13.48 66.74 21.60 13.67 3 0 26.00 -999 ? CL CL E 152 >PHE^D 51 63.77 16.81 12.88 64.57 15.01 14.84 64.17 15.91 13.86 3 0 20.72 -999 ? CL CL E 152 >ALA.D 52 63.94 20.00 7.85 64.93 19.90 6.70 64.43 19.95 7.27 2 0 28.46 -999 ? CL CL E 152 >GLU.D 53 59.31 22.05 6.50 58.55 23.62 5.25 58.93 22.84 5.87 2 0 28.80 -999 ? CA CA E 153 >PRO.D 54 58.39 15.89 5.67 59.92 17.14 4.65 59.16 16.51 5.16 3 0 24.30 -999 ? CA CA E 153 >GLU.D 55 63.32 17.03 0.53 64.73 15.73 -0.34 64.03 16.38 0.09 2 0 30.53 -999 ? CA CA E 153 >ASN.D 56 56.92 19.00 -1.30 54.87 19.31 -1.87 55.90 19.15 -1.58 2 0 28.32 -999 ? CA CA E 153 >THR.D 57 57.40 14.04 -1.85 59.57 13.78 -1.97 58.48 13.91 -1.91 2 0 27.61 -999 ? CA CA E 153 >ASP.D 58 54.83 9.92 -2.20 53.63 10.77 -3.72 54.23 10.35 -2.96 2 0 25.10 -999 ? CA CA E 153 >ALA.D 59 57.32 9.93 1.93 58.48 8.98 1.64 57.90 9.46 1.78 2 0 22.57 -999 ? CA CA E 153 >THR.D 60 57.79 11.54 5.36 56.40 12.20 6.90 57.09 11.87 6.13 2 0 19.19 -999 ? CA CA E 153 >VAL^D 61 61.57 11.74 5.18 62.65 10.48 3.76 62.11 11.11 4.47 3 0 23.96 -999 ? CA CA E 153 >GLN^D 62 60.93 15.02 8.28 59.91 16.08 9.84 60.42 15.55 9.06 2 0 22.42 -999 ? CA CA E 153 >LYS^D 63 66.88 15.66 7.27 67.40 17.73 1.55 67.14 16.69 4.41 2 0 31.72 -999 ? CL CL E 152 >GLN^D 64 68.09 14.85 13.16 67.82 13.07 14.32 67.96 13.96 13.74 2 0 20.04 -999 ? CL CL E 152 >LEU^D 65 70.93 19.70 11.51 72.73 20.87 11.12 71.83 20.29 11.31 3 0 26.62 -999 ? CA CA D 153 >ILE^D 66 72.83 15.50 15.35 72.83 14.15 15.50 72.83 14.82 15.43 3 0 21.28 -999 ? CA CA D 153 >ARG^D 67 73.24 23.07 17.07 72.39 24.50 14.46 72.82 23.79 15.77 2 0 28.79 -999 ? CA CA D 153 >ILE^D 68 77.28 16.67 19.67 77.47 15.33 19.69 77.37 16.00 19.68 3 0 18.66 -999 ? CA CA D 153 >SER^D 69 79.04 19.88 22.45 77.98 20.58 24.51 78.51 20.23 23.48 2 0 19.87 -999 ? CL CL D 152 >ALA^D 70 82.34 18.93 24.09 83.36 18.27 23.17 82.85 18.60 23.63 2 0 14.34 -999 ? CL CL D 152 >THR^D 71 83.34 21.29 26.92 81.88 22.70 27.73 82.61 21.99 27.32 2 0 17.40 -999 ? CL CL D 152 >VAL^D 72 86.85 21.39 28.36 88.25 22.15 26.81 87.55 21.77 27.58 3 0 12.49 -999 ? CL CL D 152 >ILE^D 73 85.82 21.58 32.93 84.51 21.61 33.61 85.17 21.59 33.27 3 0 15.55 -999 ? CL CL D 152 >VAL^D 74 90.55 22.98 33.03 91.93 22.32 31.39 91.24 22.65 32.21 3 0 12.37 -999 ? CL CL D 152 >PRO.D 75 92.65 23.16 36.87 91.86 24.64 35.39 92.25 23.90 36.13 3 0 15.14 -999 ? CL CL D 152 >GLN~D 76 96.64 27.00 35.21 98.77 27.10 35.31 97.71 27.05 35.26 2 0 17.00 -999 ? CL CL D 152 >ILE~D 77 93.40 30.67 30.49 92.93 31.18 29.99 93.17 30.92 30.24 3 0 18.80 -999 ? CL CL D 152 >SER~D 78 96.51 27.97 28.42 98.59 27.56 29.61 97.55 27.77 29.02 2 0 15.36 -999 ? CL CL D 152 >ASP~D 79 95.99 23.66 30.60 97.99 23.65 31.30 96.99 23.66 30.95 2 0 12.04 -999 ? CL CL D 152 >ALA~D 80 92.14 24.83 28.30 91.24 25.89 28.91 91.69 25.36 28.61 2 0 14.23 -999 ? CL CL D 152 >ILE~D 81 93.89 27.48 24.60 93.93 28.81 24.08 93.91 28.14 24.34 3 0 15.77 -999 ? CL CL D 152 >ASN~D 82 96.94 22.93 25.03 98.61 24.29 24.88 97.78 23.61 24.96 2 0 12.00 -999 ? CL CL D 152 >ALA~D 83 92.92 20.83 25.11 92.30 20.71 26.51 92.61 20.77 25.81 2 0 8.87 -999 ? CL CL D 152 >LEU~D 84 90.11 24.03 22.87 88.19 25.01 22.81 89.15 24.52 22.84 3 0 14.24 -999 ? CL CL D 152 >ASP~D 85 94.41 22.63 19.87 94.55 24.74 19.51 94.48 23.69 19.69 2 0 14.11 -999 ? CL CL D 152 >ARG~D 86 95.68 16.54 22.09 95.62 14.60 19.73 95.65 15.57 20.91 2 0 7.23 -999 ? CL CL D 152 >LEU~D 87 88.29 18.59 21.45 87.85 18.36 23.56 88.07 18.47 22.51 3 0 10.73 -999 ? CL CL D 152 >ARG~D 88 90.80 22.86 15.95 91.83 25.26 17.58 91.31 24.06 16.76 2 0 16.10 -999 ? CL CL D 152 >ARG~D 89 95.85 17.09 15.44 98.51 17.20 13.96 97.18 17.14 14.70 2 0 13.72 -999 ? CL CL D 152 >SER~D 90 90.51 14.18 17.44 91.51 14.16 19.70 91.01 14.17 18.57 2 0 8.48 -999 ? CL CL D 152 >LEU~D 91 86.00 15.45 17.33 85.38 14.55 19.22 85.69 15.00 18.28 3 0 13.57 -999 ? CL CL D 152 >GLY~D 92 86.87 16.83 13.14 87.08 16.04 13.26 86.98 16.43 13.20 1 0 16.65 -999 ? CA CA D 153 >GLY.D 93 85.91 14.61 10.20 85.78 14.35 10.90 85.84 14.48 10.55 1 0 16.15 -999 ? CA CA D 153 >ILE.D 94 85.42 10.97 13.52 85.55 11.16 14.90 85.48 11.07 14.21 3 0 11.33 -999 ? CA CA D 153 >GLU.D 95 83.59 7.91 8.66 82.64 9.21 7.23 83.12 8.56 7.95 2 0 15.44 -999 ? CA CA D 153 >LEU.D 96 78.88 9.82 13.45 79.74 11.33 14.79 79.31 10.58 14.12 3 0 14.17 -999 ? CA CA D 153 >PRO.D 97 77.46 5.65 15.49 77.72 5.98 13.27 77.59 5.81 14.38 3 0 13.02 -999 ? CA CA D 153 >ASP.D 98 73.05 5.31 11.63 73.16 3.24 12.08 73.10 4.28 11.86 2 0 17.32 -999 ? CA CA D 153 >CYH.D 99 75.15 9.36 9.80 75.43 10.47 12.34 75.29 9.92 11.07 2 0 17.58 -999 ? CA CA D 153 >ASP.D 100 73.94 10.92 5.41 73.27 12.83 6.11 73.61 11.87 5.76 2 0 23.27 -999 ? CA CA D 153 >ARG.D 101 77.76 16.14 6.68 77.10 17.58 9.33 77.43 16.86 8.01 2 0 22.26 -999 ? CA CA D 153 >PRO.D 102 82.71 13.08 6.68 81.01 12.96 8.15 81.86 13.02 7.41 3 0 17.86 -999 ? CA CA D 153 >LEU.D 103 81.89 14.55 13.34 82.38 15.56 15.26 82.14 15.05 14.30 3 0 15.97 -999 ? CA CA D 153 >TRP^D 104 81.43 17.90 8.28 78.80 19.76 6.02 80.12 18.83 7.15 3 0 22.84 -999 ? CA CA D 153 >LEU^D 105 84.52 21.87 13.61 86.04 20.62 14.52 85.28 21.24 14.07 3 0 18.69 -999 ? CL CL D 152 >GLU^D 106 78.21 25.05 14.20 76.30 24.63 15.02 77.26 24.84 14.61 2 0 25.88 -999 ? CL CL D 152 >SER^D 107 82.15 26.63 16.67 79.98 27.11 17.68 81.07 26.87 17.18 2 0 23.41 -999 ? CL CL D 152 >GLU^D 108 86.37 25.74 19.06 88.48 25.73 18.80 87.43 25.74 18.93 2 0 17.03 -999 ? CL CL D 152 >LYS^D 109 83.10 29.38 22.53 77.10 29.79 24.66 80.10 29.58 23.59 2 0 25.63 -999 ? CL CL D 152 >TYR^D 110 85.50 32.05 27.57 86.20 32.38 30.24 85.85 32.22 28.90 3 0 22.15 -999 ? CL CL D 152 >ILE^D 111 81.44 27.97 28.73 80.10 27.74 28.11 80.77 27.85 28.42 3 0 21.62 -999 ? CL CL D 152 >GLY^D 112 83.28 30.87 31.72 83.75 30.26 31.51 83.51 30.56 31.61 1 0 22.80 -999 ? CL CL D 152 >ASP~D 113 86.64 31.65 34.77 88.44 31.13 35.75 87.54 31.39 35.26 2 0 21.91 -999 ? CL CL D 152 >ALA~D 114 83.31 29.17 37.47 81.88 28.62 37.25 82.59 28.90 37.36 2 0 23.81 -999 ? CL CL D 152 >ALA~D 115 84.89 27.65 40.60 84.17 26.30 40.80 84.53 26.97 40.70 2 0 22.63 -999 ? CA CA D 154 >ASN~D 116 89.29 28.44 40.40 89.27 30.35 41.39 89.28 29.40 40.90 2 0 23.96 -999 ? CL CL D 152 >PHE~D 117 87.82 23.92 37.11 88.75 22.02 38.96 88.28 22.97 38.03 3 0 17.18 -999 ? CL CL D 152 >CYH^D 118 88.30 27.75 32.56 90.68 29.11 32.81 89.49 28.43 32.68 2 0 18.33 -999 ? CL CL D 152 >ARG^D 119 83.41 26.53 33.34 82.93 24.65 35.73 83.17 25.59 34.54 2 0 19.95 -999 ? CL CL D 152 >TYR^D 120 87.54 27.72 25.80 88.85 30.17 25.94 88.19 28.95 25.87 3 0 18.08 -999 ? CL CL D 152 >ALA^D 121 82.95 24.46 24.36 81.49 24.75 24.56 82.22 24.60 24.46 2 0 19.05 -999 ? CL CL D 152 >LEU^D 122 84.59 21.89 20.62 85.32 21.32 18.62 84.95 21.61 19.62 3 0 15.91 -999 ? CL CL D 152 >ASP^D 123 79.22 23.99 18.91 78.36 24.67 20.78 78.79 24.33 19.85 2 0 22.19 -999 ? CL CL D 152 >MET^D 124 79.86 20.15 16.36 82.75 17.74 18.06 81.30 18.95 17.21 2 0 16.67 -999 ? CL CL D 152 >THR^D 125 77.24 18.95 13.95 76.74 20.73 12.81 76.99 19.84 13.38 2 0 23.69 -999 ? CA CA D 153 >ALA^D 126 76.28 15.54 12.66 76.22 14.41 13.64 76.25 14.97 13.15 2 0 18.97 -999 ? CA CA D 153 >SER^D 127 73.70 14.76 10.02 72.79 15.64 7.94 73.25 15.20 8.98 2 0 24.20 -999 ? CA CA D 153 >THR^D 128 71.37 11.88 9.44 70.61 10.46 10.90 70.99 11.17 10.17 2 0 21.99 -999 ? CA CA D 153 >LEU^D 129 68.24 10.48 6.24 67.17 11.10 4.44 67.70 10.79 5.34 3 0 25.53 -999 ? CL CL E 152 >PHE^D 130 63.09 10.87 11.32 60.65 9.93 12.33 61.87 10.40 11.83 3 0 18.08 -999 ? CL CL E 152 >ILE^D 131 63.24 6.90 7.13 63.73 6.29 5.93 63.48 6.59 6.53 3 0 21.70 -999 ? CL CL E 152 >ALA.D 132 59.09 7.79 9.32 57.96 8.76 8.96 58.52 8.28 9.14 2 0 17.53 -999 ? CA CA E 153 >GLU.D 133 58.49 3.46 12.26 59.19 1.62 11.49 58.84 2.54 11.87 2 0 15.27 -999 ? CL CL E 152 >GLN.D 134 55.08 2.79 6.48 55.10 1.27 4.97 55.09 2.03 5.73 2 0 16.70 -999 ? CA CA E 153 >ASN.E -1 35.01 16.99 10.35 33.28 15.73 10.29 34.15 16.36 10.32 2 0 19.44 -999 ? CA CA E 153 >ALA.E 0 36.55 21.15 12.07 35.85 22.24 12.88 36.20 21.69 12.48 2 0 16.68 -999 ? CL CL F 152 >MET.E 1 39.84 20.34 13.78 42.96 20.85 15.53 41.40 20.59 14.65 2 0 19.21 -999 ? CA CA E 153 >GLU~E 2 37.04 19.03 17.56 35.58 17.74 18.42 36.31 18.39 17.99 2 0 15.03 -999 ? CL CL F 152 >THR~E 3 42.74 20.67 19.26 43.68 22.58 19.45 43.21 21.62 19.35 2 0 17.45 -999 ? CL CL F 152 >LEU~E 4 41.20 18.46 23.30 41.41 17.81 25.34 41.31 18.13 24.32 3 0 16.22 -999 ? CL CL F 152 >SER~E 5 41.57 15.45 19.94 40.42 14.20 18.23 41.00 14.83 19.09 2 0 13.02 -999 ? CA CA E 153 >VAL~E 6 44.92 16.00 18.13 45.63 17.32 16.53 45.27 16.66 17.33 3 0 14.83 -999 ? CA CA E 153 >ILE~E 7 46.35 17.08 22.64 47.63 17.81 22.92 46.99 17.45 22.78 3 0 16.51 -999 ? CA CA E 153 >HIS~E 8 42.80 13.35 23.80 41.84 14.31 25.39 42.32 13.83 24.60 3 0 13.89 -999 ? CA CA E 153 >THR~E 9 45.85 11.09 19.24 45.07 11.10 17.22 45.46 11.09 18.23 2 0 9.28 -999 ? CA CA E 153 >VAL~E 10 49.52 11.93 19.96 50.84 13.65 19.64 50.18 12.79 19.80 3 0 12.43 -999 ? CA CA E 153 >ALA~E 11 49.09 10.72 23.55 48.14 11.31 24.59 48.61 11.02 24.07 2 0 12.12 -999 ? CA CA E 153 >ASN~E 12 45.94 7.42 21.98 45.35 5.41 21.74 45.65 6.41 21.86 2 0 5.28 -999 ? CA CA E 153 >ARG~E 13 50.84 5.86 17.02 51.75 3.88 14.84 51.29 4.87 15.93 2 0 8.07 -999 ? CA CA E 153 >LEU~E 14 52.92 8.30 23.18 54.65 9.45 22.71 53.78 8.87 22.94 3 0 9.58 -999 ? CL CL E 152 >ARG~E 15 48.24 6.26 27.42 47.15 9.11 27.47 47.69 7.68 27.44 2 0 12.27 -999 ? CA CA E 153 >GLU~E 16 47.83 2.32 21.25 46.78 2.74 19.46 47.30 2.53 20.35 2 0 -2.83 -999 ? CA CA E 153s >LEU~E 17 54.36 2.84 20.04 53.91 2.50 17.92 54.13 2.67 18.98 3 0 8.65 -999 ? CL CL E 152 >ASN~E 18 55.97 3.94 24.63 56.86 4.49 22.76 56.42 4.22 23.70 2 0 -5.34 -999 ? CL CL E 152s >PRO.E 19 54.19 -1.23 26.48 53.77 0.94 26.82 53.98 -0.15 26.65 3 0 -3.88 -999 ? CL CL E 152s >ASP.E 20 57.28 0.46 30.21 56.89 -1.66 30.46 57.09 -0.60 30.34 2 0 -4.68 -999 ? CL CL E 152s >MET^E 21 55.97 5.10 29.68 57.56 6.71 26.25 56.76 5.90 27.96 2 0 5.76 -999 ? CL CL E 152 >ASP^E 22 54.34 7.57 33.31 52.94 8.39 34.65 53.64 7.98 33.98 2 0 11.89 -999 ? CL CL E 152 >ILE^E 23 51.98 9.15 27.97 52.42 8.83 26.79 52.20 8.99 27.38 3 0 9.75 -999 ? CL CL E 152 >HIS^E 24 50.99 12.31 32.95 50.92 10.82 34.43 50.96 11.56 33.69 3 0 14.39 -999 ? CL CL E 152 >ILE^E 25 47.48 15.94 28.58 46.77 15.99 27.34 47.13 15.97 27.96 3 0 17.51 -999 ? CA CA E 153 >SER.E 26 49.61 18.26 32.40 51.12 18.64 34.29 50.36 18.45 33.35 2 0 20.34 -999 ? CL CL E 152 >SER.E 27 49.22 21.89 33.45 48.20 22.15 35.64 48.71 22.02 34.55 2 0 22.09 -999 ? CL CL F 152 >THR.E 28 52.72 21.82 34.96 53.34 20.91 36.83 53.03 21.36 35.89 2 0 22.80 -999 ? CL CL E 152 >ASP.E 29 56.36 24.31 32.83 57.69 24.68 31.17 57.03 24.50 32.00 2 0 24.14 -999 ? CL CL E 152 >ALA.E 30 57.56 19.93 31.75 57.54 19.27 30.41 57.55 19.60 31.08 2 0 18.69 -999 ? CL CL E 152 >LYS.E 31 60.63 21.97 32.81 64.10 27.26 32.29 62.36 24.61 32.55 2 0 27.63 -999 ? CL CL E 152 >VAL.E 32 59.84 21.65 36.54 59.11 23.72 36.85 59.48 22.68 36.70 3 0 23.99 -999 ? CL CL E 152 >TYR.E 33 55.65 17.04 35.94 54.10 14.78 36.50 54.88 15.91 36.22 3 0 17.96 -999 ? CL CL E 152 >ILE.E 34 58.88 16.44 40.75 59.81 16.71 41.82 59.35 16.58 41.29 3 0 21.45 -999 ? CL CL E 152 >PRO.E 35 59.20 12.83 36.62 57.90 13.20 38.40 58.55 13.02 37.51 3 0 16.23 -999 ? CL CL E 152 >THR.E 36 56.69 9.99 40.99 54.85 10.73 41.93 55.77 10.36 41.46 2 0 18.34 -999 ? CL CL E 152 >GLY.E 37 57.45 6.36 40.21 58.05 6.95 40.11 57.75 6.66 40.16 1 0 14.58 -999 ? CL CL E 152 >GLN.E 38 60.99 3.30 40.06 62.56 4.63 40.68 61.77 3.97 40.37 2 0 15.27 -999 ? CL CL E 152 >GLN.E 39 56.46 3.30 34.69 54.36 3.21 34.29 55.41 3.25 34.49 2 0 8.61 -999 ? CL CL E 152 >VAL^E 40 59.73 7.14 31.92 60.88 6.85 30.05 60.30 6.99 30.98 3 0 7.85 -999 ? CL CL E 152 >THR^E 41 57.44 10.17 32.01 56.71 11.02 33.87 57.07 10.60 32.94 2 0 12.41 -999 ? CL CL E 152 >VAL^E 42 56.33 12.09 28.94 56.66 11.26 26.92 56.49 11.68 27.93 3 0 10.85 -999 ? CL CL E 152 >LEU^E 43 54.71 16.53 30.04 54.40 16.37 32.19 54.56 16.45 31.12 3 0 16.41 -999 ? CL CL E 152 >ILE^E 44 51.49 15.38 25.40 51.22 14.46 24.34 51.35 14.92 24.87 3 0 15.43 -999 ? CL CL E 152 >HIS^E 45 52.54 22.36 26.48 52.13 24.37 26.92 52.33 23.36 26.70 3 0 23.03 -999 ? CL CL E 152 >TYR^E 46 47.92 23.40 21.94 47.04 25.14 19.96 47.48 24.27 20.95 3 0 19.87 -999 ? CL CL F 152 >CYH^E 47 52.30 25.20 22.44 54.65 23.62 22.24 53.47 24.41 22.34 2 0 23.29 -999 ? CL CL E 152 >GLY^E 48 50.00 27.23 20.23 50.35 26.60 19.79 50.17 26.91 20.01 1 0 22.10 -999 ? CL CL F 152 >SER^E 49 49.18 27.94 16.58 47.37 26.30 16.71 48.27 27.12 16.64 2 0 21.12 -999 ? CL CL F 152 >VAL^E 50 49.92 30.42 13.79 51.88 31.42 13.40 50.90 30.92 13.59 3 0 25.78 -999 ? CL CL F 152 >PHE^E 51 45.30 30.91 12.89 44.27 29.57 15.12 44.78 30.24 14.00 3 0 20.47 -999 ? CL CL F 152 >ALA.E 52 48.22 32.46 7.79 48.75 31.57 6.66 48.49 32.01 7.22 2 0 28.45 -999 ? CL CL F 152 >GLU.E 53 47.37 37.39 6.57 48.33 39.11 5.73 47.85 38.25 6.15 2 0 30.61 -999 ? CL CL F 152 >PRO.E 54 41.83 35.23 5.35 43.66 34.41 4.37 42.75 34.82 4.86 3 0 26.73 -999 ? CL CL F 152 >GLU.E 55 47.03 32.14 0.18 47.85 30.42 -0.74 47.44 31.28 -0.28 2 0 33.47 -999 ? CL CL F 152 >ASN.E 56 44.41 36.73 -3.00 46.24 37.77 -2.62 45.33 37.25 -2.81 2 0 35.43 -999 ? CL CL F 152 >THR.E 57 40.05 35.00 -1.36 40.65 33.00 -0.77 40.35 34.00 -1.06 2 0 30.32 -999 ? CL CL F 152 >ASP.E 58 35.82 37.30 -1.28 35.19 36.14 -2.94 35.50 36.72 -2.11 2 0 31.38 -999 ? CL CL F 152 >ALA.E 59 36.17 33.70 2.21 36.01 32.35 1.51 36.09 33.02 1.86 2 0 26.57 -999 ? CL CL F 152 >THR.E 60 37.82 33.59 5.63 37.74 34.98 7.31 37.78 34.29 6.47 2 0 22.40 -999 ? CL CL F 152 >VAL^E 61 39.73 30.32 5.29 39.07 28.80 3.87 39.40 29.56 4.58 3 0 24.59 -999 ? CL CL F 152 >GLN^E 62 42.32 32.44 8.12 42.61 33.82 9.71 42.46 33.13 8.91 2 0 22.57 -999 ? CL CL F 152 >LYS^E 63 46.01 27.77 7.08 49.02 24.20 4.04 47.51 25.99 5.56 2 0 26.67 -999 ? CA CA E 153 >GLN^E 64 45.89 26.30 12.98 44.17 25.66 14.08 45.03 25.98 13.53 2 0 20.02 -999 ? CL CL F 152 >LEU^E 65 51.46 26.14 11.30 53.42 25.23 10.90 52.44 25.68 11.10 3 0 26.00 -999 ? CA CA E 153 >ILE^E 66 48.86 22.59 15.32 47.76 21.97 15.44 48.31 22.28 15.38 3 0 20.92 -999 ? CA CA E 153 >ARG^E 67 55.43 26.21 16.93 57.67 25.36 18.90 56.55 25.78 17.91 2 0 25.60 -999 ? CL CL E 152 >ILE^E 68 52.06 19.28 19.57 50.95 18.36 19.63 51.50 18.82 19.60 3 0 18.40 -999 ? CA CA E 153 >SER^E 69 55.75 19.33 22.38 55.64 20.62 24.42 55.70 19.97 23.40 2 0 19.89 -999 ? CL CL E 152 >ALA^E 70 56.44 15.92 23.93 56.32 14.66 23.05 56.38 15.29 23.49 2 0 14.23 -999 ? CL CL E 152 >THR^E 71 58.88 16.15 26.83 59.38 18.09 27.67 59.13 17.12 27.25 2 0 17.23 -999 ? CL CL E 152 >VAL^E 72 60.78 13.19 28.24 61.81 11.52 27.30 61.30 12.36 27.77 3 0 12.00 -999 ? CL CL E 152 >ILE^E 73 60.39 14.04 32.90 59.77 15.19 33.54 60.08 14.62 33.22 3 0 15.32 -999 ? CL CL E 152 >VAL^E 74 64.01 10.75 33.29 64.26 9.13 31.77 64.13 9.94 32.53 3 0 12.50 -999 ? CL CL E 152 >PRO.E 75 65.17 9.19 37.24 66.09 10.49 35.64 65.63 9.84 36.44 3 0 15.40 -999 ? CL CL E 152 >GLN~E 76 70.02 7.05 34.86 71.79 7.34 36.03 70.90 7.20 35.44 2 0 18.07 -999 ? CL CL E 152 >ILE~E 77 72.20 12.03 30.61 72.37 12.48 29.93 72.29 12.26 30.27 3 0 18.79 -999 ? CL CL E 152 >SER~E 78 71.20 8.02 28.60 71.97 6.21 30.03 71.59 7.12 29.32 2 0 15.57 -999 ? CL CL E 152 >ASP~E 79 67.15 6.45 30.81 67.95 4.60 31.48 67.55 5.52 31.15 2 0 11.89 -999 ? CL CL E 152 >ALA~E 80 66.24 10.26 28.44 66.64 11.58 29.08 66.44 10.92 28.76 2 0 14.08 -999 ? CL CL E 152 >ILE~E 81 69.66 10.18 25.01 70.88 10.77 24.59 70.27 10.48 24.80 3 0 15.87 -999 ? CL CL E 152 >ASN~E 82 67.16 5.36 25.23 69.14 4.52 25.08 68.15 4.94 25.15 2 0 12.09 -999 ? CL CL E 152 >ALA~E 83 63.32 7.70 25.20 62.79 8.09 26.56 63.06 7.90 25.88 2 0 8.75 -999 ? CL CL E 152 >LEU~E 84 64.80 11.69 22.97 64.58 13.84 22.76 64.69 12.77 22.87 3 0 14.23 -999 ? CL CL E 152 >ASP~E 85 65.65 7.20 20.08 67.55 8.13 19.67 66.60 7.66 19.88 2 0 14.04 -999 ? CL CL E 152 >ARG~E 86 61.39 2.85 22.07 59.36 2.65 19.73 60.37 2.75 20.90 2 0 7.33 -999 ? CL CL E 152 >LEU~E 87 59.42 10.70 21.56 58.64 11.23 23.49 59.03 10.97 22.53 3 0 10.91 -999 ? CL CL E 152 >ARG~E 88 63.94 11.11 15.67 66.41 10.68 17.48 65.18 10.90 16.58 2 0 15.96 -999 ? CL CL E 152 >ARG~E 89 62.04 3.49 15.71 61.77 0.78 14.31 61.91 2.14 15.01 2 0 13.02 -999 ? CL CL E 152 >SER~E 90 56.56 6.59 17.44 57.01 5.61 19.64 56.78 6.10 18.54 2 0 8.45 -999 ? CL CL E 152 >LEU~E 91 55.49 11.20 17.39 54.22 11.26 19.20 54.86 11.23 18.29 3 0 13.56 -999 ? CL CL E 152 >GLY~E 92 57.03 11.10 13.11 56.48 10.54 13.22 56.75 10.82 13.17 1 0 16.25 -999 ? CA CA E 153 >GLY.E 93 54.66 10.96 10.13 54.40 10.82 10.80 54.53 10.89 10.46 1 0 15.66 -999 ? CA CA E 153 >ILE.E 94 51.27 9.26 13.32 51.49 9.33 14.72 51.38 9.29 14.02 3 0 10.81 -999 ? CA CA E 153 >GLU.E 95 47.73 9.48 8.54 48.76 10.93 7.33 48.24 10.21 7.94 2 0 14.56 -999 ? CA CA E 153 >LEU.E 96 46.79 14.54 13.22 48.61 14.61 14.45 47.70 14.57 13.84 3 0 13.72 -999 ? CA CA E 153 >PRO.E 97 42.45 13.67 15.21 42.96 13.60 13.03 42.71 13.63 14.12 3 0 12.51 -999 ? CA CA E 153 >ASP.E 98 40.11 17.33 11.40 38.49 16.10 11.92 39.30 16.71 11.66 2 0 16.61 -999 ? CA CA E 153 >CYH.E 99 44.69 17.54 9.63 45.69 17.87 12.16 45.19 17.71 10.89 2 0 17.05 -999 ? CA CA E 153 >ASP.E 100 45.48 19.34 5.27 46.53 20.98 6.06 46.01 20.16 5.67 2 0 22.58 -999 ? CA CA E 153 >ARG.E 101 51.97 18.65 6.77 52.86 19.72 9.52 52.41 19.18 8.14 2 0 21.41 -999 ? CA CA E 153 >PRO.E 102 51.79 12.81 6.55 50.81 14.24 8.01 51.30 13.53 7.28 3 0 17.17 -999 ? CA CA E 153 >LEU.E 103 52.52 14.17 13.16 52.69 15.10 15.13 52.61 14.64 14.15 3 0 15.56 -999 ? CA CA E 153 >TRP^E 104 55.37 16.22 8.24 55.50 19.41 5.92 55.44 17.81 7.08 3 0 22.14 -999 ? CA CA E 153 >LEU^E 105 60.21 15.59 13.66 59.83 13.58 14.47 60.02 14.58 14.07 3 0 18.70 -999 ? CL CL E 152 >GLU^E 106 59.92 22.75 14.43 58.49 24.22 15.12 59.21 23.48 14.77 2 0 25.98 -999 ? CL CL E 152 >SER^E 107 63.19 19.97 16.60 62.67 22.03 17.81 62.93 21.00 17.20 2 0 23.39 -999 ? CL CL E 152 >GLU^E 108 64.44 15.94 19.10 65.48 14.11 18.80 64.96 15.02 18.95 2 0 17.19 -999 ? CL CL E 152 >LYS^E 109 65.86 20.49 22.62 63.23 24.34 19.98 64.55 22.41 21.30 2 0 24.94 -999 ? CL CL E 152 >TYR^E 110 69.36 19.79 27.67 69.92 19.39 30.37 69.64 19.59 29.02 3 0 22.25 -999 ? CL CL E 152 >ILE^E 111 63.85 20.77 28.86 62.98 21.80 28.32 63.42 21.29 28.59 3 0 21.20 -999 ? CL CL E 152 >GLY^E 112 67.15 21.11 31.92 66.89 20.35 31.69 67.02 20.73 31.80 1 0 22.86 -999 ? CL CL E 152 >ASP~E 113 69.42 18.60 35.00 69.78 16.81 36.02 69.60 17.70 35.51 2 0 22.01 -999 ? CL CL E 152 >ALA~E 114 65.63 20.28 37.58 64.46 21.22 37.37 65.05 20.75 37.48 2 0 23.89 -999 ? CL CL E 152 >ALA~E 115 65.06 18.09 40.65 63.52 18.01 40.78 64.29 18.05 40.71 2 0 22.88 -999 ? CL CL E 152 >ASN~E 116 68.06 14.74 40.47 69.37 15.89 41.72 68.72 15.32 41.10 2 0 24.20 -999 ? CL CL E 152 >PHE~E 117 63.32 13.76 37.43 62.19 12.02 39.34 62.76 12.89 38.39 3 0 17.46 -999 ? CL CL E 152 >CYH^E 118 66.96 14.98 32.87 68.51 14.45 30.75 67.74 14.71 31.81 2 0 17.76 -999 ? CL CL E 152 >ARG^E 119 63.31 18.65 33.46 61.43 18.15 35.85 62.37 18.40 34.66 2 0 19.84 -999 ? CL CL E 152 >TYR^E 120 66.70 15.71 25.96 69.50 15.89 26.05 68.10 15.80 26.01 3 0 18.13 -999 ? CL CL E 152 >ALA^E 121 61.61 17.90 24.40 61.08 19.31 24.64 61.35 18.60 24.52 2 0 18.77 -999 ? CL CL E 152 >LEU^E 122 60.18 15.44 20.52 60.13 14.61 18.49 60.15 15.03 19.51 3 0 15.97 -999 ? CL CL E 152 >ASP^E 123 59.25 21.15 19.08 59.58 22.02 21.00 59.42 21.58 20.04 2 0 21.89 -999 ? CL CL E 152 >MET^E 124 56.29 18.76 16.36 55.69 15.05 17.99 55.99 16.91 17.18 2 0 16.67 -999 ? CL CL E 152 >THR^E 125 53.88 20.37 13.94 55.21 21.61 12.71 54.54 20.99 13.33 2 0 23.04 -999 ? CA CA E 153 >ALA^E 126 50.48 19.47 12.59 49.40 19.04 13.54 49.94 19.25 13.06 2 0 18.37 -999 ? CA CA E 153 >SER^E 127 48.71 21.39 9.87 48.91 22.32 7.64 48.81 21.85 8.75 2 0 23.31 -999 ? CA CA E 153 >THR^E 128 45.06 22.08 9.31 43.49 22.07 10.83 44.27 22.08 10.07 2 0 21.45 -999 ? CA CA E 153 >LEU^E 129 42.17 23.96 6.19 42.07 25.12 4.38 42.12 24.54 5.28 3 0 25.52 -999 ? CL CL F 152 >PHE^E 130 39.81 28.52 11.38 37.72 30.00 12.51 38.77 29.26 11.95 3 0 17.84 -999 ? CL CL F 152 >ILE^E 131 36.38 26.28 7.29 35.99 25.56 6.06 36.19 25.92 6.68 3 0 21.52 -999 ? CL CL F 152 >ALA.E 132 35.01 30.27 9.44 35.28 31.76 9.19 35.14 31.01 9.32 2 0 19.03 -999 ? CL CL F 152 >GLU.E 133 30.54 28.35 11.93 28.82 27.97 13.17 29.68 28.16 12.55 2 0 13.62 -999 ? CL CL F 152 >GLN.E 134 29.45 30.83 5.41 28.62 30.24 3.53 29.03 30.54 4.47 2 0 23.35 -999 ? CL CL F 152 >ASN.F -1 30.88 55.89 9.85 29.02 56.86 10.24 29.95 56.37 10.05 2 0 21.04 -999 ? CL CL A 152 >ALA.F 0 35.34 56.37 11.30 36.17 57.50 11.84 35.75 56.93 11.57 2 0 17.51 -999 ? CL CL A 152 >MET.F 1 35.99 53.31 13.44 38.56 50.28 14.40 37.28 51.79 13.92 2 0 20.86 -999 ? CL CL A 152 >GLU~F 2 33.37 54.98 17.20 31.33 55.23 17.75 32.35 55.11 17.48 2 0 16.23 -999 ? CL CL A 152 >THR~F 3 37.93 51.04 18.73 40.07 51.18 19.02 39.00 51.11 18.88 2 0 17.97 -999 ? CL CL A 152 >LEU~F 4 35.28 51.35 22.80 34.88 50.94 24.89 35.08 51.14 23.84 3 0 16.78 -999 ? CL CL A 152 >SER~F 5 32.88 49.31 19.41 31.63 51.31 18.68 32.25 50.31 19.05 2 0 18.90 -999 ? CL CL A 152 >VAL~F 6 35.15 46.68 17.85 36.71 46.67 16.28 35.93 46.67 17.07 3 0 21.93 -999 ? CA CA F 153 >ILE~F 7 36.70 46.10 22.45 37.99 45.53 22.46 37.35 45.82 22.46 3 0 19.12 -999 ? CA CA F 153 >HIS~F 8 31.64 47.60 23.47 32.10 48.83 25.10 31.87 48.21 24.29 3 0 17.37 -999 ? CA CA F 153 >THR~F 9 31.31 43.52 19.11 30.99 44.07 17.05 31.15 43.79 18.08 2 0 18.51 -999 ? CA CA F 153 >VAL~F 10 33.88 40.74 19.85 36.05 40.45 19.50 34.96 40.60 19.68 3 0 15.43 -999 ? CL CL F 152 >ALA~F 11 32.69 40.56 23.52 32.83 41.67 24.57 32.76 41.11 24.05 2 0 12.76 -999 ? CA CA F 153 >ASN~F 12 28.20 41.71 22.01 26.12 41.26 21.93 27.16 41.48 21.97 2 0 12.13 -999 ? CA CA F 153 >ARG~F 13 29.21 36.58 17.02 28.01 34.50 15.07 28.61 35.54 16.05 2 0 13.29 -999 ? CL CL F 152 >LEU~F 14 32.53 36.10 23.20 34.31 34.95 22.96 33.42 35.52 23.08 3 0 9.28 -999 ? CL CL F 152 >ARG~F 15 28.55 39.19 27.60 30.41 41.60 27.56 29.48 40.40 27.58 2 0 10.05 -999 ? CA CA F 153 >GLU~F 16 24.70 37.52 21.81 23.78 38.30 20.09 24.24 37.91 20.95 2 0 -12.32 -999 ? CA CA F 153s >LEU~F 17 28.21 32.15 20.24 27.77 32.75 18.17 27.99 32.45 19.21 3 0 8.69 -999 ? CL CL F 152 >ASN~F 18 30.27 31.25 24.86 31.26 30.71 23.04 30.77 30.98 23.95 2 0 -5.03 -999 ? CL CL F 152s >PRO.F 19 24.86 30.17 26.57 26.54 31.60 26.99 25.70 30.88 26.78 3 0 4.13 -999 ? CL CL F 152s >ASP.F 20 28.35 28.19 30.04 26.51 27.15 29.79 27.43 27.67 29.91 2 0 -4.02 -999 ? CL CL F 152s >MET^F 21 31.30 31.92 29.70 33.73 31.23 26.30 32.52 31.58 28.00 2 0 5.65 -999 ? CL CL F 152 >ASP^F 22 32.68 34.60 33.38 32.80 36.34 34.61 32.74 35.47 33.99 2 0 8.36 -999 ? CA CA F 153 >ILE^F 23 32.88 37.45 28.03 32.81 36.99 26.80 32.85 37.22 27.42 3 0 8.99 -999 ? CA CA F 153 >HIS^F 24 35.37 39.88 32.98 34.32 39.10 34.61 34.85 39.49 33.80 3 0 11.22 -999 ? CA CA F 153 >ILE.F 25 36.24 44.72 28.29 35.87 45.30 27.07 36.05 45.01 27.68 3 0 15.89 -999 ? CA CA F 153 >SER.F 26 39.35 44.18 32.13 40.22 43.29 34.23 39.78 43.74 33.18 2 0 17.76 -999 ? CA CA F 153 >SER.F 27 42.16 46.54 33.10 41.48 47.57 35.22 41.82 47.05 34.16 2 0 21.48 -999 ? CA CA F 153 >THR.F 28 43.92 43.48 34.58 43.54 42.60 36.55 43.73 43.04 35.57 2 0 20.72 -999 ? CA CA F 153 >ASP.F 29 47.91 41.50 32.70 49.01 40.84 30.99 48.46 41.17 31.85 2 0 24.05 -999 ? CL CL F 152 >ALA.F 30 45.07 38.02 31.55 44.54 37.65 30.20 44.81 37.84 30.87 2 0 18.52 -999 ? CL CL F 152 >LYS.F 31 48.37 36.51 32.66 54.69 35.81 32.11 51.53 36.16 32.39 2 0 27.37 -999 ? CL CL F 152 >VAL.F 32 47.61 37.26 36.36 48.89 39.04 36.72 48.25 38.15 36.54 3 0 23.68 -999 ? CA CA F 153 >TYR.F 33 41.44 38.32 35.83 38.79 38.86 36.55 40.12 38.59 36.19 3 0 16.09 -999 ? CA CA F 153 >ILE.F 34 42.77 35.33 40.68 43.59 34.76 41.74 43.18 35.04 41.21 3 0 20.21 -999 ? CA CA F 153 >PRO.F 35 39.63 33.20 36.65 39.36 34.54 38.42 39.50 33.87 37.54 3 0 15.22 -999 ? CA CA F 153 >THR.F 36 35.93 34.71 41.03 36.06 36.75 41.75 36.00 35.73 41.39 2 0 15.08 -999 ? CA CA F 153 >GLY.F 37 33.78 31.81 39.85 34.59 31.59 39.84 34.19 31.70 39.84 1 0 11.94 -999 ? CA CA F 153 >GLN.F 38 33.54 25.83 39.00 32.55 24.49 40.34 33.04 25.16 39.67 2 0 14.53 -999 ? CL CL F 152 >GLN.F 39 30.59 30.50 35.03 29.51 32.15 34.19 30.05 31.32 34.61 2 0 5.06 -999 ? CA CA F 153 >VAL^F 40 35.14 29.65 31.76 35.45 28.58 29.87 35.29 29.11 30.82 3 0 7.58 -999 ? CL CL F 152 >THR^F 41 36.55 33.16 32.04 36.96 34.25 33.85 36.75 33.71 32.94 2 0 11.65 -999 ? CA CA F 153 >VAL^F 42 37.56 35.12 28.94 37.09 34.26 26.95 37.33 34.69 27.94 3 0 10.62 -999 ? CL CL F 152 >LEU^F 43 40.43 38.85 30.01 40.29 38.89 32.20 40.36 38.87 31.10 3 0 15.67 -999 ? CA CA F 153 >ILE^F 44 37.81 41.14 25.25 37.61 40.18 24.22 37.71 40.66 24.74 3 0 15.30 -999 ? CL CL F 152 >HIS^F 45 44.36 43.55 26.30 45.86 44.96 26.72 45.11 44.25 26.51 3 0 22.73 -999 ? CL CL F 152 >TYR^F 46 42.91 48.01 21.60 44.10 49.66 19.70 43.50 48.84 20.65 3 0 20.29 -999 ? CL CL A 152 >CYH^F 47 46.69 45.19 22.24 46.59 42.41 22.08 46.64 43.80 22.16 2 0 23.10 -999 ? CL CL F 152 >GLY^F 48 47.31 48.06 19.84 46.96 47.47 19.41 47.13 47.76 19.63 1 0 22.55 -999 ? CL CL A 152 >SER^F 49 47.63 49.16 16.24 45.29 49.83 16.21 46.46 49.49 16.22 2 0 21.61 -999 ? CL CL A 152 >VAL^F 50 50.17 49.71 13.52 51.87 48.36 13.10 51.02 49.03 13.31 3 0 26.07 -999 ? CL CL A 152 >PHE^F 51 48.31 53.91 12.27 46.49 54.18 14.36 47.40 54.04 13.32 3 0 20.89 -999 ? CL CL A 152 >ALA.F 52 51.16 51.97 7.36 50.64 51.14 6.19 50.90 51.56 6.78 2 0 28.60 -999 ? CA CA A 153 >GLU.F 53 55.10 55.11 6.09 57.00 55.49 5.18 56.05 55.30 5.63 2 0 21.51 -999 ? CA CA A 153 >PRO.F 54 50.37 58.88 4.88 50.71 56.88 3.93 50.54 57.88 4.41 3 0 26.91 -999 ? CL CL A 152 >GLU.F 55 49.99 53.14 0.37 48.64 51.59 -0.24 49.32 52.37 0.07 2 0 29.81 -999 ? CA CA A 153 >ASN.F 56 53.15 57.86 -3.26 54.98 56.78 -2.99 54.07 57.32 -3.13 2 0 -23.05 -999 ? CA CA A 153s >THR.F 57 49.35 60.48 -1.68 47.96 58.95 -1.04 48.65 59.72 -1.36 2 0 29.88 -999 ? CA CA A 153 >ASP.F 58 48.20 65.20 -1.86 49.41 65.62 -3.56 48.81 65.41 -2.71 2 0 29.67 -999 ? CA CA A 153 >ALA.F 59 46.21 63.24 1.69 44.80 62.79 1.33 45.50 63.02 1.51 2 0 26.15 -999 ? CL CL A 152 >THR.F 60 47.13 61.65 4.97 48.36 62.43 6.58 47.75 62.04 5.77 2 0 22.74 -999 ? CL CL A 152 >VAL^F 61 45.33 58.34 4.63 43.75 58.02 3.16 44.54 58.18 3.90 3 0 24.99 -999 ? CL CL A 152 >GLN^F 62 48.33 57.19 7.71 49.69 57.56 9.31 49.01 57.37 8.51 2 0 22.84 -999 ? CL CL A 152 >LYS^F 63 45.97 51.72 6.67 45.25 46.19 3.72 45.61 48.96 5.19 2 0 31.80 -999 ? CL CL A 152 >GLN^F 64 44.54 50.97 12.59 43.31 52.20 13.83 43.93 51.59 13.21 2 0 20.39 -999 ? CL CL A 152 >LEU^F 65 47.18 46.10 11.07 47.42 43.91 11.01 47.30 45.00 11.04 3 0 28.70 -999 ? CL CL A 152 >ILE^F 66 42.79 46.83 14.99 41.74 47.56 15.11 42.27 47.19 15.05 3 0 23.57 -999 ? CL CL A 152 >ARG^F 67 49.18 42.89 16.59 49.77 40.97 18.94 49.47 41.93 17.77 2 0 25.63 -999 ? CL CL F 152 >ILE^F 68 41.53 42.32 19.28 40.30 42.85 19.18 40.92 42.58 19.23 3 0 20.12 -999 ? CL CL F 152 >SER^F 69 43.27 39.17 22.15 44.56 39.88 24.07 43.91 39.52 23.11 2 0 19.65 -999 ? CL CL F 152 >ALA^F 70 40.79 36.92 23.91 39.68 36.35 23.08 40.23 36.63 23.50 2 0 13.94 -999 ? CL CL F 152 >THR^F 71 42.38 34.97 26.75 44.36 35.46 27.49 43.37 35.21 27.12 2 0 17.03 -999 ? CL CL F 152 >VAL^F 72 40.78 31.89 28.33 40.64 30.23 26.85 40.71 31.06 27.59 3 0 12.13 -999 ? CL CL F 152 >ILE^F 73 41.48 32.71 32.84 42.16 33.86 33.39 41.82 33.28 33.11 3 0 15.21 -999 ? CL CL F 152 >VAL^F 74 40.30 27.92 33.21 38.90 26.99 31.71 39.60 27.46 32.46 3 0 12.12 -999 ? CL CL F 152 >PRO.F 75 39.61 26.20 37.16 41.19 26.03 35.57 40.40 26.11 36.37 3 0 15.11 -999 ? CL CL F 152 >GLN~F 76 41.66 20.59 35.45 40.45 18.89 35.77 41.06 19.74 35.61 2 0 17.39 -999 ? CL CL F 152 >ILE~F 77 45.38 21.78 30.18 46.59 21.26 30.51 45.98 21.52 30.34 3 0 18.70 -999 ? CL CL F 152 >SER~F 78 41.57 20.06 28.77 39.91 18.27 28.71 40.74 19.16 28.74 2 0 15.01 -999 ? CL CL F 152 >ASP~F 79 38.24 22.90 30.70 37.32 21.18 31.45 37.78 22.04 31.08 2 0 11.96 -999 ? CL CL F 152 >ALA~F 80 41.12 25.61 28.34 42.49 25.92 28.95 41.81 25.77 28.64 2 0 13.95 -999 ? CL CL F 152 >ILE~F 81 42.61 22.63 24.83 43.72 21.85 24.42 43.17 22.24 24.63 3 0 15.64 -999 ? CL CL F 152 >ASN~F 82 37.23 22.30 25.30 37.73 20.24 25.20 37.48 21.27 25.25 2 0 12.05 -999 ? CL CL F 152 >ALA~F 83 37.15 26.82 25.24 37.24 27.48 26.59 37.20 27.15 25.91 2 0 8.37 -999 ? CL CL F 152 >LEU~F 84 41.38 27.55 23.05 43.24 28.61 22.79 42.31 28.08 22.92 3 0 13.94 -999 ? CL CL F 152 >ASP~F 85 38.02 24.49 20.12 39.70 23.23 19.82 38.86 23.86 19.97 2 0 13.81 -999 ? CL CL F 152 >ARG~F 86 32.91 26.04 23.75 33.43 23.44 25.33 33.17 24.74 24.54 2 0 6.79 -999 ? CL CL F 152 >LEU~F 87 37.80 31.72 21.45 37.74 32.41 23.47 37.77 32.06 22.46 3 0 10.55 -999 ? CL CL F 152 >ARG~F 88 41.13 28.40 16.25 40.90 25.37 16.80 41.01 26.89 16.52 2 0 15.87 -999 ? CL CL F 152 >ARG~F 89 32.23 26.73 15.06 31.54 23.78 14.64 31.89 25.25 14.85 2 0 13.23 -999 ? CL CL F 152 >SER~F 90 32.83 32.13 17.50 32.17 31.31 19.72 32.50 31.72 18.61 2 0 8.35 -999 ? CL CL F 152 >LEU~F 91 36.10 35.51 17.35 35.59 36.37 19.22 35.85 35.94 18.29 3 0 13.36 -999 ? CL CL F 152 >GLY~F 92 36.89 33.96 13.20 36.10 34.13 13.30 36.50 34.05 13.25 1 0 16.74 -999 ? CL CL F 152 >GLY.F 93 35.60 35.64 10.06 35.38 35.89 10.76 35.49 35.76 10.41 1 0 19.45 -999 ? CL CL F 152 >ILE.F 94 32.58 37.97 13.24 32.63 37.82 14.62 32.60 37.90 13.93 3 0 16.46 -999 ? CL CL F 152 >GLU.F 95 30.38 40.37 8.75 29.89 38.39 9.54 30.14 39.38 9.15 2 0 20.01 -999 ? CL CL F 152 >LEU.F 96 34.70 44.28 12.97 35.77 42.95 14.26 35.23 43.61 13.61 3 0 21.16 -999 ? CL CL F 152 >PRO.F 97 31.75 47.67 14.92 32.01 47.14 12.74 31.88 47.40 13.83 3 0 23.15 -999 ? CA CA F 153 >ASP.F 98 33.67 51.56 11.06 31.79 52.42 11.48 32.73 51.99 11.27 2 0 21.88 -999 ? CL CL A 152 >CYH.F 99 36.28 47.72 9.30 36.95 46.97 11.92 36.62 47.34 10.61 2 0 25.00 -999 ? CL CL A 152 >ASP.F 100 38.40 47.84 4.99 40.35 47.58 5.77 39.38 47.71 5.38 2 0 28.59 -999 ? CL CL A 152 >ARG.F 101 41.07 42.07 6.62 42.51 41.76 9.36 41.79 41.92 7.99 2 0 25.87 -999 ? CL CL F 152 >PRO.F 102 35.47 39.22 6.42 36.43 40.76 7.78 35.95 39.99 7.10 3 0 23.96 -999 ? CL CL F 152 >LEU.F 103 37.22 39.35 13.00 38.01 39.59 15.02 37.62 39.47 14.01 3 0 19.07 -999 ? CL CL F 152 >TRP^F 104 40.41 37.83 8.15 43.15 39.22 5.70 41.78 38.52 6.92 3 0 25.78 -999 ? CL CL F 152 >LEU^F 105 42.50 33.43 13.40 40.72 32.56 14.28 41.61 33.00 13.84 3 0 18.73 -999 ? CL CL F 152 >GLU^F 106 48.32 37.39 14.00 49.08 39.04 15.15 48.70 38.21 14.58 2 0 25.63 -999 ? CL CL F 152 >SER^F 107 47.86 33.13 16.49 49.31 34.62 17.73 48.59 33.88 17.11 2 0 23.19 -999 ? CL CL F 152 >GLU^F 108 44.97 30.06 19.01 43.84 28.28 18.89 44.41 29.17 18.95 2 0 16.88 -999 ? CL CL F 152 >LYS^F 109 49.64 30.86 22.54 51.88 36.26 20.28 50.76 33.56 21.41 2 0 25.15 -999 ? CL CL F 152 >TYR^F 110 50.85 27.71 27.75 50.97 27.04 30.46 50.91 27.37 29.11 3 0 22.14 -999 ? CL CL F 152 >ILE^F 111 49.18 33.29 28.30 48.99 34.78 28.11 49.09 34.04 28.20 3 0 21.01 -999 ? CL CL F 152 >GLY^F 112 50.87 30.39 31.76 50.11 30.20 31.50 50.49 30.30 31.63 1 0 22.60 -999 ? CL CL F 152 >ASP~F 113 49.72 27.35 34.95 48.38 26.16 36.08 49.05 26.76 35.51 2 0 21.67 -999 ? CL CL F 152 >ALA~F 114 49.14 31.56 37.44 49.33 33.06 37.19 49.24 32.31 37.31 2 0 23.39 -999 ? CL CL F 152 >ALA~F 115 47.03 30.95 40.54 46.07 32.14 40.61 46.55 31.55 40.58 2 0 22.36 -999 ? CL CL F 152 >ASN~F 116 46.20 26.62 40.36 48.00 26.23 41.43 47.10 26.42 40.89 2 0 24.14 -999 ? CL CL F 152 >PHE~F 117 42.62 30.06 37.32 40.80 30.32 39.45 41.71 30.19 38.38 3 0 17.37 -999 ? CL CL F 152 >CYH^F 118 45.60 27.51 32.66 45.64 24.75 33.11 45.62 26.13 32.89 2 0 18.23 -999 ? CL CL F 152 >ARG^F 119 46.82 32.59 33.28 45.41 33.94 35.67 46.11 33.27 34.47 2 0 19.56 -999 ? CL CL F 152 >TYR^F 120 45.98 28.02 25.88 47.51 25.68 26.10 46.75 26.85 25.99 3 0 17.90 -999 ? CL CL F 152 >ALA^F 121 45.27 33.57 24.25 46.19 34.75 24.45 45.73 34.16 24.35 2 0 18.58 -999 ? CL CL F 152 >LEU^F 122 42.34 33.52 20.49 41.58 33.04 18.49 41.96 33.28 19.49 3 0 15.75 -999 ? CL CL F 152 >ASP^F 123 46.82 37.14 18.90 47.90 37.48 20.75 47.36 37.31 19.83 2 0 21.93 -999 ? CL CL F 152 >MET^F 124 43.20 38.40 16.24 39.72 37.07 17.91 41.46 37.74 17.07 2 0 16.50 -999 ? CL CL F 152 >THR^F 125 43.37 41.26 13.77 45.17 40.75 12.63 44.27 41.01 13.20 2 0 24.88 -999 ? CL CL F 152 >ALA^F 126 40.92 43.81 12.47 40.03 44.52 13.45 40.47 44.16 12.96 2 0 23.75 -999 ? CL CL F 152 >SER^F 127 41.51 46.30 9.67 42.52 46.42 7.46 42.02 46.36 8.57 2 0 28.55 -999 ? CL CL A 152 >THR^F 128 40.41 49.83 8.89 39.60 51.24 10.37 40.01 50.53 9.63 2 0 22.72 -999 ? CL CL A 152 >LEU^F 129 40.79 53.19 5.66 41.95 53.82 3.91 41.37 53.50 4.78 3 0 25.76 -999 ? CL CL A 152 >PHE^F 130 43.65 57.48 10.72 43.82 60.09 11.72 43.74 58.78 11.22 3 0 18.23 -999 ? CL CL A 152 >ILE^F 131 40.19 59.18 6.52 39.47 59.03 5.24 39.83 59.10 5.88 3 0 21.99 -999 ? CL CL A 152 >ALA.F 132 42.97 62.49 8.62 44.41 62.99 8.40 43.69 62.74 8.51 2 0 19.41 -999 ? CL CL A 152 >GLU.F 133 39.62 65.33 11.36 37.65 64.82 10.72 38.63 65.07 11.04 2 0 15.61 -999 ? CL CL A 152 >GLN.F 134 41.29 66.81 4.35 40.57 66.88 2.32 40.93 66.85 3.33 2 0 23.93 -999 ? CL CL A 152