REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAR-06 2G7Z COMPND CONSERVED HYPOTHETICAL PROTEIN SPY1493; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; SOURCE 3 ORGANISM_TAXID: 160490; SOURCE 4 STRAIN: M1 GAS; 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 B.NOCEK,L.VOLKART,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 1 16 HET MSE A 32 8 HET MSE A 53 8 HET MSE A 124 8 HET MSE A 134 8 HET MSE A 190 8 HET MSE A 275 8 HET MSE B 1 8 HET MSE B 32 8 HET MSE B 53 8 HET MSE B 124 8 HET MSE B 134 8 HET MSE B 190 8 HET MSE B 275 8 HET ZN A6001 1 HET ZN A6002 1 HET ZN A6003 1 HET ZN A6004 1 HET ZN A6005 1 HET ZN A6006 1 HET ZN A6007 1 HET ZN A6008 1 HET ZN B6009 1 HET ZN B6010 1 HET ZN A6011 1 HET ZN A6012 1 HET ZN A6013 1 HET ZN B6014 1 HET ZN B6015 1 HET ZN B6016 1 HET CL A7001 1 HET HXA A9136 19 HET HXA B8136 19 HET TRS B5080 8 HET TRS A5081 8 HET GOL A2647 6 HET GOL B2648 6 HET GOL B2649 6 SITE 1 AC1 5 GLU A 15 CL A7001 HOH A9143 ARG B 102 SITE 1 AC2 4 HIS A 48 HIS A 222 HOH A9150 HOH A9359 SITE 1 AC3 5 ASP A 84 HOH A9306 HIS B 252 GOL B2649 SITE 1 AC4 4 GLU A 17 HOH A9307 HOH A9316 HOH A9360 SITE 1 AC5 4 GLU A 106 GLU B 15 HOH B8139 HOH B8326 SITE 1 AC6 4 GLU A 227 HOH A9137 HOH A9374 GLU B 109 SITE 1 AC7 2 GLU A 143 HOH A9309 SITE 1 AC8 4 GLU A 109 HOH A9139 GLU B 227 HOH B8342 SITE 1 AC9 5 ASN A 251 HIS A 252 ASP B 84 HOH B8137 SITE 1 BC1 2 GLU B 17 HOH B8318 SITE 1 BC2 5 ASP A 23 HOH A9198 HOH A9365 HOH A9366 SITE 1 BC3 4 GLU A 235 GLU A 269 HOH A9149 HOH A9367 SITE 1 BC4 4 ASP A 195 GLU A 196 ASP B 195 GLU B 196 SITE 1 BC5 4 HIS B 48 HIS B 222 HOH B8319 HOH B8321 SITE 1 BC6 3 ASP B 23 HOH B8349 HOH B8350 SITE 1 BC7 3 GLU B 235 GLU B 269 HOH B8341 SITE 1 BC8 4 GLU A 15 LYS A 125 ZN A6001 GLU B 106 SITE 1 BC9 11 THR A 62 SER A 63 LEU A 94 SER A 95 SITE 1 CC1 13 LEU B 29 THR B 62 SER B 63 GLN B 64 SITE 1 CC2 6 SER B 63 GLN B 64 SER B 95 GLY B 96 SITE 1 CC3 7 SER A 63 GLN A 64 SER A 95 GLY A 96 SITE 1 CC4 7 PRO A 60 LYS A 61 THR A 62 GLY A 170 SITE 1 CC5 6 PRO B 60 LYS B 61 THR B 62 GLY B 170 SITE 1 CC6 6 ZN A6003 HOH A9306 ASN B 251 HIS B 252 >ALA.A 0 63.73 52.65 35.17 62.24 52.29 35.28 62.98 52.47 35.22 2 0 6.35 -999 ? ZN ZN A6007 >MET?A 1 66.22 51.28 37.74 69.57 50.22 38.00 67.90 50.75 37.87 2 0 13.45 -999 ? ZN ZN A6003 >GLY.A 2 65.26 48.35 39.96 65.29 48.19 39.16 65.28 48.27 39.56 1 0 9.33 -999 ? ZN ZN A6003 >THR.A 3 63.62 44.94 39.63 64.83 43.15 39.49 64.22 44.04 39.56 2 0 8.39 -999 ? ZN ZN A6011 >ILE^A 4 58.89 45.61 39.20 58.03 46.77 39.24 58.46 46.19 39.22 3 0 8.59 -999 ? ZN ZN A6003 >LYS^A 5 58.05 41.24 40.43 61.85 38.33 37.40 59.95 39.78 38.92 2 0 3.91 -999 ? ZN ZN A6011 >ILE^A 6 53.56 40.25 39.18 52.98 41.48 39.09 53.27 40.87 39.14 3 0 10.88 -999 ? ZN ZN A6011 >VAL^A 7 52.65 38.31 43.24 53.34 38.09 45.34 53.00 38.20 44.29 3 0 11.06 -999 ? ZN ZN A6011 >THR^A 8 49.13 36.90 43.08 48.03 36.16 41.31 48.58 36.53 42.20 2 0 12.04 -999 ? CL CL A7001 >ASP^A 9 46.04 34.56 45.88 44.31 35.41 45.03 45.18 34.99 45.46 2 0 8.33 -999 ? C2 HXA A9136 >SER.A 10 46.09 30.73 43.60 45.69 29.21 45.47 45.89 29.97 44.53 2 0 8.74 -999 ? C2 HXA A9136 >SER.A 11 42.46 31.83 42.85 41.77 34.11 43.39 42.11 32.97 43.12 2 0 7.03 -999 ? C4 HXA A9136 >ILE.A 12 45.42 33.58 39.27 46.67 33.75 38.58 46.05 33.67 38.92 3 0 8.83 -999 ? CL CL A7001 >THR.A 13 43.17 30.80 36.58 41.28 29.76 36.27 42.23 30.28 36.42 2 0 7.34 -999 ? C16 HXA A9136 >ILE.A 14 46.94 31.78 34.67 48.14 32.38 35.01 47.54 32.08 34.84 3 0 4.74 -999 ? CL CL A7001 >GLU~A 15 47.17 27.98 29.76 47.56 28.13 27.69 47.36 28.06 28.73 2 0 2.97 -999 ? ZN ZN A6001s >PRO~A 16 50.72 25.14 33.76 50.66 27.40 33.72 50.69 26.27 33.74 3 0 5.72 -999 ? ZN ZN A6004 >GLU~A 17 53.32 26.25 29.33 51.50 25.17 29.59 52.41 25.71 29.46 2 0 -2.63 -999 ? ZN ZN A6004s >LEU~A 18 51.05 32.50 31.19 49.85 32.57 29.34 50.45 32.53 30.26 3 0 4.42 -999 ? CL CL A7001 >ILE~A 19 52.76 30.86 36.20 52.26 31.72 37.25 52.51 31.29 36.73 3 0 9.03 -999 ? CL CL A7001 >LYS~A 20 56.72 30.35 34.13 60.24 25.48 32.12 58.48 27.92 33.12 2 0 11.16 -999 ? ZN ZN A6004 >ALA~A 21 57.29 32.70 31.12 56.44 32.79 29.85 56.87 32.75 30.48 2 0 10.39 -999 ? CL CL A7001 >LEU~A 22 55.07 36.39 33.10 54.15 37.29 31.30 54.61 36.84 32.20 3 0 10.15 -999 ? CL CL A7001 >ASP~A 23 59.39 35.44 36.61 60.61 34.82 38.25 60.00 35.13 37.43 2 0 -2.27 -999 ? ZN ZN A6011s >ILE.A 24 53.38 35.21 37.86 52.23 35.66 37.26 52.81 35.44 37.56 3 0 9.87 -999 ? ZN ZN A6011 >THR^A 25 54.76 34.22 42.14 56.22 34.57 43.70 55.49 34.40 42.92 2 0 7.55 -999 ? ZN ZN A6011 >VAL^A 26 51.48 32.51 43.08 50.17 31.59 41.57 50.83 32.05 42.33 3 0 12.37 -999 ? ZN ZN A6011 >VAL^A 27 50.76 32.34 46.84 51.23 33.81 48.42 50.99 33.07 47.63 3 0 12.43 -999 ? O2 HXA A9136 >PRO.A 28 50.38 28.15 48.47 49.10 29.78 47.53 49.74 28.96 48.00 3 0 11.67 -999 ? C2 HXA A9136 >LEU.A 29 43.93 29.75 49.00 43.21 31.72 48.35 43.57 30.74 48.67 3 0 5.24 -999 ? C2 HXA A9136 >SER^A 30 44.41 26.03 51.27 46.12 26.46 52.96 45.26 26.25 52.12 2 0 8.37 -999 ? O3 TRS A5081 >VAL^A 31 41.46 23.68 51.10 40.68 22.70 49.29 41.07 23.19 50.19 3 0 7.44 -999 ? O2 GOL A2647 >MET?A 32 40.33 21.13 53.67 39.98 20.64 57.74 40.15 20.88 55.71 2 0 9.84 -999 ? O1 GOL A2647 >ILE^A 33 39.50 17.40 50.81 39.53 17.32 49.38 39.51 17.36 50.10 3 0 10.70 -999 ? O3 GOL A2647 >ASP.A 34 37.19 14.01 54.11 35.28 13.88 53.17 36.24 13.94 53.64 2 0 11.79 -999 ? O3 GOL A2647 >SER.A 35 39.84 16.59 57.49 38.37 15.79 59.22 39.10 16.19 58.35 2 0 13.32 -999 ? O3 GOL A2647 >LYS^A 36 42.98 16.74 55.33 45.31 13.04 57.91 44.15 14.89 56.62 2 0 16.79 -999 ? ZN ZN A6002 >LEU^A 37 45.17 20.99 55.55 44.84 23.17 55.58 45.00 22.08 55.56 3 0 10.85 -999 ? O3 TRS A5081 >TYR^A 38 44.57 18.57 49.93 44.03 15.88 50.34 44.30 17.22 50.14 3 0 9.42 -999 ? ZN ZN A6002 >SER^A 39 47.67 23.40 49.27 49.48 24.61 48.24 48.58 24.00 48.76 2 0 12.63 -999 ? ZN ZN A6002 >ASP.A 40 44.96 26.05 46.23 43.83 26.30 44.46 44.39 26.17 45.35 2 0 9.29 -999 ? C2 HXA A9136 >ASN~A 41 50.23 25.61 44.72 50.19 27.70 44.18 50.21 26.66 44.45 2 0 13.55 -999 ? C2 HXA A9136 >ASP~A 42 49.15 20.21 45.77 51.10 20.64 46.56 50.13 20.43 46.16 2 0 9.47 -999 ? ZN ZN A6002 >LEU~A 43 44.23 21.30 44.11 43.72 20.04 45.82 43.97 20.67 44.96 3 0 7.32 -999 ? ZN ZN A6002 >LYS.A 44 45.75 22.29 39.55 44.52 27.15 41.42 45.13 24.72 40.49 2 0 11.27 -999 ? C4 HXA A9136 >GLU.A 45 46.53 16.72 36.85 47.87 17.25 35.30 47.20 16.99 36.07 2 0 6.71 -999 ? ZN ZN A6002 >GLU.A 46 41.22 19.35 33.22 41.02 19.12 31.10 41.12 19.24 32.16 2 0 9.94 -999 ? ZN ZN A6004 >GLY~A 47 39.63 17.36 36.83 40.24 17.53 37.30 39.93 17.45 37.07 1 0 8.18 -999 ? ZN ZN A6002 >HIS~A 48 43.73 15.28 39.15 44.83 13.95 37.95 44.28 14.62 38.55 3 0 -3.17 -999 ? ZN ZN A6002s >PHE~A 49 39.19 20.48 43.90 37.56 21.31 46.06 38.38 20.89 44.98 3 0 10.05 -999 ? O3 GOL A2647 >LEU~A 50 36.12 18.04 39.40 34.09 18.22 38.60 35.11 18.13 39.00 3 0 6.22 -999 ? ZN ZN A6012 >SER~A 51 36.87 14.17 41.62 37.97 13.16 39.64 37.42 13.66 40.63 2 0 8.33 -999 ? ZN ZN A6002 >LEU~A 52 39.15 15.76 45.60 41.19 15.15 46.03 40.17 15.45 45.82 3 0 7.46 -999 ? ZN ZN A6002 >MET?A 53 34.95 17.28 45.79 33.30 21.12 44.93 34.12 19.20 45.36 2 0 8.14 -999 ? O3 GOL A2647 >LYS~A 54 32.48 14.85 44.14 29.48 14.75 40.06 30.98 14.80 42.10 2 0 4.24 -999 ? ZN ZN A6012 >ALA~A 55 33.68 11.96 46.34 34.89 11.15 46.00 34.28 11.56 46.17 2 0 12.40 -999 ? ZN ZN A6012 >SER~A 56 34.08 13.84 49.67 33.64 16.23 49.44 33.86 15.03 49.55 2 0 9.44 -999 ? O3 GOL A2647 >LYS.A 57 31.86 12.91 52.65 33.38 7.79 52.39 32.62 10.35 52.52 2 0 17.51 -999 ? O3 GOL A2647 >SER.A 58 31.32 16.60 53.33 32.68 17.09 55.31 32.00 16.85 54.32 2 0 8.87 -999 ? O3 GOL A2647 >LEU.A 59 30.91 21.06 51.50 30.02 21.98 49.81 30.47 21.52 50.65 3 0 4.46 -999 ? O3 GOL A2647 >PRO.A 60 35.52 19.97 49.06 34.83 20.76 51.04 35.18 20.36 50.05 3 0 -5.87 -999 ? O3 GOL A2647s >LYS^A 61 36.41 24.21 53.10 31.32 24.83 54.33 33.86 24.52 53.71 2 0 -2.76 -999 ? O3 GOL A2647s >THR^A 62 38.81 26.88 51.87 37.81 27.84 50.21 38.31 27.36 51.04 2 0 3.39 -999 ? O2 GOL A2647s >SER^A 63 41.03 29.24 53.77 42.55 27.70 54.82 41.79 28.47 54.29 2 0 4.78 -999 ? O3 TRS A5081s >GLN.A 64 43.06 33.77 54.95 42.25 35.60 55.68 42.66 34.68 55.31 2 0 -3.51 -999 ? O1 TRS A5081s >PRO.A 65 46.89 32.89 50.65 46.29 32.09 52.70 46.59 32.49 51.67 3 0 7.34 -999 ? O2 HXA A9136 >PRO~A 66 49.11 29.93 56.25 48.41 32.01 55.69 48.76 30.97 55.97 3 0 8.62 -999 ? O3 TRS A5081 >VAL~A 67 50.03 35.77 57.08 49.44 37.43 58.41 49.73 36.60 57.75 3 0 10.19 -999 ? ZN ZN A6005 >GLY~A 68 53.45 34.08 57.72 52.99 34.00 57.05 53.22 34.04 57.38 1 0 13.32 -999 ? ZN ZN A6005 >LEU~A 69 52.36 31.45 53.69 52.73 30.03 52.03 52.55 30.74 52.86 3 0 12.67 -999 ? O3 TRS A5081 >PHE~A 70 50.75 36.67 51.87 48.65 36.41 50.02 49.70 36.54 50.94 3 0 10.95 -999 ? O1 TRS A5081 >ALA~A 71 55.78 37.22 54.95 55.79 37.24 56.47 55.78 37.23 55.71 2 0 11.01 -999 ? ZN ZN A6008 >GLU~A 72 58.31 32.42 55.47 58.01 30.14 55.57 58.16 31.28 55.52 2 0 16.69 -999 ? ZN ZN B6015 >THR~A 73 57.24 34.85 50.20 55.55 34.20 49.00 56.40 34.52 49.60 2 0 11.78 -999 ? ZN ZN A6011 >TYR~A 74 55.71 39.76 50.42 53.11 40.00 49.37 54.41 39.88 49.90 3 0 12.81 -999 ? ZN ZN A6003 >GLU~A 75 60.78 38.36 54.75 61.02 37.69 56.73 60.90 38.02 55.74 2 0 11.17 -999 ? ZN ZN A6008 >ASN~A 76 61.82 34.26 49.30 61.98 32.73 50.80 61.90 33.50 50.05 2 0 11.55 -999 ? ZN ZN A6011 >LEU~A 77 60.38 38.64 46.46 59.03 37.72 45.00 59.71 38.18 45.73 3 0 7.48 -999 ? ZN ZN A6011 >VAL~A 78 63.64 40.88 48.63 63.25 42.41 50.15 63.45 41.65 49.39 3 0 11.14 -999 ? ZN ZN A6003 >LYS~A 79 66.58 38.44 49.17 66.02 34.96 54.52 66.30 36.70 51.84 2 0 15.42 -999 ? ZN ZN A6011 >LYS~A 80 66.63 37.81 45.39 64.58 32.94 45.07 65.61 35.38 45.23 2 0 6.32 -999 ? ZN ZN A6011 >GLY.A 81 67.10 41.56 44.86 66.35 41.29 44.82 66.72 41.42 44.84 1 0 9.58 -999 ? ZN ZN A6011 >VAL.A 82 63.53 42.55 44.03 61.82 41.25 43.47 62.67 41.90 43.75 3 0 8.02 -999 ? ZN ZN A6011 >THR.A 83 63.04 46.31 44.68 64.51 47.25 43.33 63.78 46.78 44.01 2 0 7.46 -999 ? ZN ZN A6003 >ASP^A 84 58.76 47.82 43.44 59.11 49.72 44.37 58.94 48.77 43.90 2 0 -2.36 -999 ? ZN ZN A6003s >ILE^A 85 56.63 42.96 45.65 56.98 41.86 46.37 56.81 42.41 46.01 3 0 9.11 -999 ? ZN ZN A6003 >VAL^A 86 53.09 44.33 43.03 52.48 45.70 41.41 52.78 45.01 42.22 3 0 9.59 -999 ? ZN ZN A6003 >ALA^A 87 50.61 41.97 44.74 50.67 41.72 46.24 50.64 41.85 45.49 2 0 12.61 -999 ? ZN ZN A6003 >ILE^A 88 47.28 41.59 41.38 47.14 42.15 40.08 47.21 41.87 40.73 3 0 13.14 -999 ? ZN ZN A6006 >HIS^A 89 46.13 39.39 46.70 48.04 38.69 47.17 47.08 39.04 46.93 3 0 10.99 -999 ? O2 HXA A9136 >LEU.A 90 40.40 36.94 44.70 40.38 35.53 46.37 40.39 36.24 45.54 3 0 5.96 -999 ? C4 HXA A9136 >SER.A 91 38.23 40.81 45.74 36.06 41.87 45.85 37.14 41.34 45.79 2 0 8.97 -999 ? C7 HXA A9136 >PRO.A 92 38.24 43.72 49.03 38.12 41.47 48.79 38.18 42.59 48.91 3 0 9.32 -999 ? O1 TRS A5081 >ALA.A 93 34.21 40.70 48.94 33.35 41.15 47.77 33.78 40.92 48.36 2 0 7.63 -999 ? ZN ZN A6013 >LEU.A 94 35.76 36.71 46.95 34.46 36.72 45.20 35.11 36.71 46.07 3 0 -3.81 -999 ? C7 HXA A9136s >SER.A 95 38.20 36.49 50.69 40.11 34.93 50.69 39.15 35.71 50.69 2 0 2.36 -999 ? O2 HXA A9136s >GLY~A 96 40.38 38.08 53.37 40.64 37.56 52.78 40.51 37.82 53.08 1 0 -3.48 -999 ? O1 TRS A5081s >THR~A 97 43.44 36.93 51.31 43.86 35.49 49.71 43.65 36.21 50.51 2 0 5.61 -999 ? O2 HXA A9136 >ILE~A 98 43.29 41.50 49.55 42.68 42.73 49.20 42.99 42.12 49.37 3 0 9.36 -999 ? O1 TRS A5081 >GLU~A 99 42.11 42.47 54.73 42.65 44.54 54.46 42.38 43.51 54.60 2 0 6.97 -999 ? ZN ZN B6010 >ALA~A 100 46.71 38.62 54.81 46.38 37.14 54.58 46.54 37.88 54.70 2 0 7.47 -999 ? O1 TRS A5081 >SER~A 101 48.89 39.80 51.93 49.39 40.20 49.59 49.14 40.00 50.76 2 0 12.23 -999 ? O1 TRS A5081 >ARG~A 102 47.05 46.48 54.30 46.17 45.49 57.10 46.61 45.98 55.70 2 0 4.52 -999 ? ZN ZN A6005 >GLN~A 103 47.64 42.06 58.08 45.90 40.93 58.53 46.77 41.49 58.30 2 0 5.27 -999 ? ZN ZN B6010 >GLY~A 104 52.58 39.58 55.53 52.49 40.40 55.42 52.54 39.99 55.47 1 0 8.97 -999 ? ZN ZN A6005 >ALA~A 105 54.19 42.48 53.66 53.53 43.35 52.58 53.86 42.91 53.12 2 0 9.30 -999 ? ZN ZN A6005 >GLU~A 106 51.97 45.84 57.11 50.33 46.31 58.34 51.15 46.08 57.72 2 0 -2.18 -999 ? ZN ZN A6005s >ILE~A 107 55.44 40.31 59.03 55.04 39.21 59.92 55.24 39.76 59.48 3 0 7.94 -999 ? ZN ZN A6008 >ALA~A 108 58.51 41.27 55.94 58.18 40.69 54.58 58.34 40.98 55.26 2 0 8.99 -999 ? ZN ZN A6008 >GLU~A 109 59.88 45.27 58.23 58.56 46.78 59.04 59.22 46.03 58.64 2 0 -2.16 -999 ? ZN ZN A6008s >ALA.A 110 58.87 44.48 52.01 58.45 43.10 51.49 58.66 43.79 51.75 2 0 9.78 -999 ? ZN ZN A6003 >PRO.A 111 60.12 46.32 48.18 58.47 46.59 49.68 59.30 46.45 48.93 3 0 5.59 -999 ? ZN ZN A6003 >VAL^A 112 54.77 45.65 48.36 54.32 43.53 48.81 54.55 44.59 48.58 3 0 8.35 -999 ? ZN ZN A6003 >THR^A 113 51.98 47.57 46.64 51.98 49.28 45.27 51.98 48.42 45.96 2 0 7.26 -999 ? ZN ZN A6003 >VAL^A 114 48.86 45.48 47.34 48.50 44.24 49.13 48.68 44.86 48.23 3 0 12.13 -999 ? ZN ZN A6005 >LEU^A 115 46.51 45.90 43.29 47.68 47.61 42.51 47.09 46.75 42.90 3 0 13.05 -999 ? ZN ZN A6003 >ASP^A 116 41.33 45.30 45.63 39.40 44.56 45.23 40.37 44.93 45.43 2 0 12.33 -999 ? C11 HXA A9136 >SER.A 117 41.83 43.17 41.34 41.22 40.82 41.38 41.52 41.99 41.36 2 0 10.07 -999 ? C11 HXA A9136 >GLY.A 118 38.07 43.45 41.94 38.48 42.75 41.76 38.28 43.10 41.85 1 0 10.11 -999 ? C11 HXA A9136 >PHE.A 119 37.18 41.23 38.37 36.08 43.60 37.26 36.63 42.41 37.82 3 0 9.27 -999 ? C11 HXA A9136 >THR~A 120 39.46 36.52 40.57 38.44 34.80 41.57 38.95 35.66 41.07 2 0 4.78 -999 ? C12 HXA A9136 >ASP~A 121 38.59 33.26 37.87 38.36 31.62 36.52 38.48 32.44 37.19 2 0 4.17 -999 ? C14 HXA A9136 >GLN~A 122 40.69 32.59 33.16 40.46 31.85 31.19 40.57 32.22 32.18 2 0 5.75 -999 ? CL CL A7001 >ALA~A 123 39.50 38.31 34.99 38.18 38.79 35.55 38.84 38.55 35.27 2 0 7.55 -999 ? C13 HXA A9136 >MET?A 124 42.31 38.71 37.58 43.38 37.94 41.65 42.85 38.33 39.61 2 0 10.44 -999 ? C13 HXA A9136 >LYS~A 125 44.73 37.02 35.17 43.63 34.06 30.26 44.18 35.54 32.71 2 0 -3.54 -999 ? CL CL A7001s >PHE~A 126 41.74 39.86 31.80 39.72 38.26 30.61 40.73 39.06 31.21 3 0 5.38 -999 ? ZN ZN A6006 >GLN~A 127 43.87 43.67 36.43 42.73 43.89 38.22 43.30 43.78 37.32 2 0 11.65 -999 ? ZN ZN A6006 >VAL~A 128 48.51 39.96 36.51 48.46 38.34 38.04 48.48 39.15 37.28 3 0 9.68 -999 ? ZN ZN A6006 >VAL~A 129 49.75 39.10 32.98 49.31 37.62 31.42 49.53 38.36 32.20 3 0 5.92 -999 ? ZN ZN A6006 >GLU~A 130 49.07 45.10 31.43 49.68 45.03 29.40 49.37 45.07 30.41 2 0 8.09 -999 ? ZN ZN A6006 >ALA~A 131 51.73 43.73 35.14 51.16 43.59 36.60 51.44 43.66 35.87 2 0 11.53 -999 ? ZN ZN A6006 >ALA~A 132 54.24 40.83 34.79 53.88 39.36 34.97 54.06 40.10 34.88 2 0 10.61 -999 ? ZN ZN A6011 >LYS~A 133 54.89 41.44 31.08 50.76 42.78 26.93 52.83 42.11 29.00 2 0 7.20 -999 ? ZN ZN A6006 >MET?A 134 55.58 45.12 31.86 52.12 47.64 31.78 53.85 46.38 31.82 2 0 8.60 -999 ? ZN ZN A6007 >ALA~A 135 57.72 44.32 34.93 57.30 43.48 36.12 57.51 43.90 35.53 2 0 10.43 -999 ? ZN ZN A6011 >LYS~A 136 59.83 41.97 32.75 59.94 36.72 29.05 59.88 39.35 30.90 2 0 10.89 -999 ? ZN ZN A6011 >ALA~A 137 60.16 44.73 30.08 59.04 45.25 29.17 59.60 44.99 29.62 2 0 8.11 -999 ? ZN ZN A6007 >GLY~A 138 61.48 47.10 32.79 60.73 47.18 32.49 61.11 47.14 32.64 1 0 7.31 -999 ? ZN ZN A6007 >ALA.A 139 58.40 49.37 33.06 56.94 49.02 32.78 57.67 49.19 32.92 2 0 5.15 -999 ? ZN ZN A6007 >SER~A 140 58.28 51.67 36.10 57.09 53.67 35.59 57.68 52.67 35.84 2 0 5.49 -999 ? ZN ZN A6007 >LEU~A 141 56.41 51.12 40.55 55.35 50.39 42.32 55.88 50.75 41.43 3 0 5.61 -999 ? ZN ZN A6003 >ASN~A 142 54.19 55.37 38.09 54.24 56.29 40.04 54.22 55.83 39.07 2 0 9.16 -999 ? ZN ZN A6003 >GLU~A 143 55.02 53.78 33.04 56.81 53.52 31.95 55.91 53.65 32.50 2 0 -2.35 -999 ? ZN ZN A6007s >ILE~A 144 53.37 48.27 36.63 54.09 47.10 36.89 53.73 47.69 36.76 3 0 9.76 -999 ? ZN ZN A6007 >LEU~A 145 50.24 51.45 39.56 50.98 50.70 41.51 50.61 51.08 40.53 3 0 10.00 -999 ? ZN ZN A6003 >ALA~A 146 48.22 52.81 35.71 48.88 53.94 34.93 48.55 53.37 35.32 2 0 10.66 -999 ? ZN ZN A6007 >ALA~A 147 48.00 49.91 33.22 49.18 49.20 32.52 48.59 49.55 32.87 2 0 10.37 -999 ? ZN ZN A6007 >VAL~A 148 46.56 47.53 35.88 47.32 46.31 37.57 46.94 46.92 36.72 3 0 12.15 -999 ? ZN ZN A6006 >GLN~A 149 42.94 52.28 37.91 41.56 51.15 39.13 42.25 51.72 38.52 2 0 17.14 -999 ? ZN ZN A6006 >ALA~A 150 43.03 50.68 33.17 43.97 51.09 32.02 43.50 50.88 32.60 2 0 13.26 -999 ? ZN ZN A6006 >ILE~A 151 43.51 45.84 32.80 44.20 44.69 32.17 43.85 45.26 32.49 3 0 8.16 -999 ? ZN ZN A6006 >LYS~A 152 40.44 46.65 35.93 39.92 47.64 42.16 40.18 47.15 39.04 2 0 14.02 -999 ? ZN ZN A6013 >SER~A 153 38.19 49.58 34.89 39.28 51.26 33.49 38.74 50.42 34.19 2 0 15.06 -999 ? ZN ZN A6006 >LYS~A 154 37.34 47.87 31.54 41.42 51.21 28.00 39.38 49.54 29.77 2 0 13.30 -999 ? ZN ZN A6006 >THR^A 155 36.73 44.35 32.92 38.31 42.95 33.59 37.52 43.65 33.25 2 0 9.80 -999 ? ZN ZN A6006 >GLU^A 156 31.92 44.53 32.58 30.34 45.08 31.26 31.13 44.80 31.92 2 0 14.60 -999 ? C13 HXA A9136 >LEU^A 157 33.70 38.94 36.48 33.89 37.02 37.66 33.80 37.98 37.07 3 0 5.00 -999 ? C13 HXA A9136 >TYR^A 158 28.61 38.77 33.21 28.37 41.49 32.66 28.49 40.13 32.94 3 0 10.81 -999 ? C13 HXA A9136 >ILE^A 159 29.76 33.87 38.21 29.77 33.45 39.54 29.77 33.66 38.87 3 0 4.37 -999 ? C10 HXA A9136 >GLY^A 160 26.44 31.36 36.34 27.13 31.18 36.76 26.78 31.27 36.55 1 0 7.25 -999 ? C17 HXA A9136 >VAL^A 161 25.59 28.66 38.92 25.87 29.66 40.89 25.73 29.16 39.91 3 0 7.70 -999 ? C17 HXA A9136 >SER.A 162 23.31 25.60 38.68 24.16 24.75 36.58 23.74 25.18 37.63 2 0 9.43 -999 ? ZN ZN A6012 >THR.A 163 22.90 25.33 42.47 23.95 23.86 43.73 23.43 24.59 43.10 2 0 11.44 -999 ? ZN ZN A6012 >LEU~A 164 21.81 28.54 45.90 20.93 30.31 44.98 21.37 29.43 45.44 3 0 11.71 -999 ? C9 HXA A9136 >GLU~A 165 24.34 22.68 48.85 24.81 20.65 48.47 24.57 21.66 48.66 2 0 9.64 -999 ? O3 GOL A2647 >ASN~A 166 28.86 25.49 46.46 28.95 23.42 45.97 28.91 24.46 46.21 2 0 7.17 -999 ? O3 GOL A2647 >LEU~A 167 26.54 30.42 46.98 27.40 31.51 45.24 26.97 30.96 46.11 3 0 6.27 -999 ? C8 HXA A9136 >VAL~A 168 25.08 28.90 50.99 22.94 28.47 51.34 24.01 28.69 51.17 3 0 9.19 -999 ? C3 GOL A2647 >LYS~A 169 27.38 26.41 52.72 25.16 20.59 52.21 26.27 23.50 52.46 2 0 8.74 -999 ? O3 GOL A2647 >GLY~A 170 30.60 28.37 52.11 29.89 28.74 52.23 30.24 28.55 52.17 1 0 -2.91 -999 ? C3 GOL A2647s >GLY~A 171 28.89 31.61 53.12 29.00 31.52 52.35 28.94 31.57 52.74 1 0 6.07 -999 ? C1 GOL A2647 >ARG~A 172 32.41 33.10 50.51 34.66 32.88 52.60 33.53 32.99 51.56 2 0 3.67 -999 ? N TRS A5081s >ILE~A 173 24.55 32.58 49.90 23.79 32.51 49.56 24.17 32.54 49.73 3 0 9.96 -999 ? C8 HXA A9136 >GLY~A 174 25.99 36.66 51.82 26.19 36.60 51.04 26.09 36.63 51.43 1 0 10.03 -999 ? ZN ZN A6013 >ARG.A 175 30.11 39.66 49.85 28.09 41.75 50.91 29.10 40.70 50.38 2 0 5.01 -999 ? ZN ZN A6013 >VAL^A 176 24.47 37.69 46.54 24.05 35.80 45.51 24.26 36.74 46.02 3 0 9.10 -999 ? C10 HXA A9136 >THR^A 177 21.95 40.48 46.07 23.20 42.18 45.62 22.58 41.33 45.85 2 0 6.19 -999 ? ZN ZN A6013 >GLY.A 178 18.90 38.82 44.70 18.72 39.59 44.85 18.81 39.20 44.78 1 0 11.61 -999 ? ZN ZN A6013 >LEU.A 184 19.18 25.14 47.42 19.49 26.09 49.36 19.34 25.62 48.39 3 0 13.66 -999 ? O3 GOL A2647 >ASN.A 185 18.12 22.66 42.88 18.61 21.72 41.05 18.36 22.19 41.97 2 0 12.76 -999 ? ZN ZN A6012 >VAL.A 186 18.14 26.75 40.20 17.40 28.69 40.95 17.77 27.72 40.58 3 0 15.62 -999 ? C17 HXA A9136 >LYS^A 187 20.04 28.53 37.38 21.78 23.72 34.95 20.91 26.13 36.17 2 0 10.37 -999 ? ZN ZN A6012 >VAL^A 188 21.30 32.06 38.30 20.82 32.74 40.35 21.06 32.40 39.33 3 0 11.74 -999 ? C10 HXA A9136 >VAL^A 189 23.57 34.55 36.53 23.88 34.71 34.34 23.73 34.63 35.44 3 0 10.88 -999 ? C15 HXA A9136 >MET?A 190 25.26 37.22 38.65 25.13 34.77 42.08 25.20 36.00 40.36 2 0 7.12 -999 ? C10 HXA A9136 >ALA^A 191 27.61 40.12 37.92 27.18 41.43 37.31 27.40 40.77 37.61 2 0 10.15 -999 ? C11 HXA A9136 >LEU^A 192 31.88 39.68 40.25 33.10 39.36 42.07 32.49 39.52 41.16 3 0 5.09 -999 ? C11 HXA A9136 >LYS^A 193 30.19 44.24 40.72 29.20 47.99 37.29 29.69 46.12 39.01 2 0 11.27 -999 ? ZN ZN A6013 >ASN.A 194 30.64 47.15 44.03 30.11 48.61 42.52 30.38 47.88 43.28 2 0 6.86 -999 ? ZN ZN A6013 >ASP.A 195 31.51 44.82 48.10 29.59 45.72 48.55 30.55 45.27 48.33 2 0 -2.22 -999 ? ZN ZN A6013s >GLU^A 196 27.07 43.92 45.18 25.48 45.11 45.93 26.27 44.51 45.56 2 0 -3.09 -999 ? ZN ZN A6013s >LEU^A 197 27.36 37.76 43.71 29.10 36.49 43.31 28.23 37.12 43.51 3 0 5.06 -999 ? C10 HXA A9136 >LYS^A 198 24.42 41.19 41.65 22.74 47.04 39.75 23.58 44.12 40.70 2 0 9.72 -999 ? ZN ZN A6013 >THR^A 199 21.70 38.76 40.55 20.49 37.32 41.60 21.09 38.04 41.08 2 0 12.17 -999 ? C10 HXA A9136 >LEU^A 200 21.89 39.47 35.84 23.58 40.83 35.73 22.73 40.15 35.79 3 0 13.02 -999 ? C10 HXA A9136 >VAL^A 201 18.61 36.45 35.86 18.62 35.55 33.83 18.62 36.00 34.85 3 0 15.69 -999 ? C10 HXA A9136 >LYS^A 202 17.07 33.29 37.31 13.72 31.26 41.46 15.40 32.27 39.38 2 0 18.76 -999 ? C10 HXA A9136 >GLY^A 203 15.73 30.28 35.35 16.21 29.98 35.95 15.97 30.13 35.65 1 0 17.57 -999 ? C17 HXA A9136 >ARG.A 204 12.26 24.93 36.57 10.14 27.05 35.81 11.20 25.99 36.19 2 0 21.85 -999 ? ZN ZN A6012 >GLY.A 205 17.51 25.03 32.22 17.70 25.82 32.43 17.61 25.42 32.32 1 0 15.07 -999 ? ZN ZN A6012 >ASN~A 206 21.83 24.73 29.97 23.05 23.64 31.36 22.44 24.18 30.66 2 0 10.59 -999 ? ZN ZN A6012 >LYS~A 207 18.95 28.00 28.22 13.16 26.60 29.26 16.05 27.30 28.74 2 0 20.31 -999 ? ZN ZN A6012 >THR~A 208 18.92 30.49 31.11 18.28 30.46 33.18 18.60 30.47 32.15 2 0 15.55 -999 ? C17 HXA A9136 >PHE~A 209 23.62 29.32 32.26 23.60 28.36 34.94 23.61 28.84 33.60 3 0 10.30 -999 ? C17 HXA A9136 >THR~A 210 22.62 31.02 26.64 22.19 29.01 25.99 22.40 30.02 26.31 2 0 15.96 -999 ? C17 HXA A9136 >LYS~A 211 19.65 33.46 26.54 15.07 36.39 27.72 17.36 34.93 27.13 2 0 21.93 -999 ? C17 HXA A9136 >TRP~A 212 22.70 37.71 31.23 26.45 36.67 30.72 24.58 37.19 30.98 3 0 13.15 -999 ? C15 HXA A9136 >LEU~A 213 25.60 34.23 26.80 27.73 34.31 26.18 26.67 34.27 26.49 3 0 13.96 -999 ? C16 HXA A9136 >ASP~A 214 21.90 35.36 22.98 22.58 33.49 22.19 22.24 34.42 22.58 2 0 19.28 -999 ? C17 HXA A9136 >SER~A 215 21.31 39.25 25.15 20.98 39.35 27.58 21.15 39.30 26.37 2 0 18.52 -999 ? C15 HXA A9136 >TYR~A 216 26.71 40.52 27.99 28.92 42.09 28.64 27.82 41.30 28.32 3 0 14.87 -999 ? C13 HXA A9136 >LEU~A 217 26.92 38.79 22.72 28.62 37.50 23.29 27.77 38.14 23.01 3 0 17.82 -999 ? C16 HXA A9136 >ALA~A 218 23.71 41.65 21.29 22.25 41.17 21.21 22.98 41.42 21.25 2 0 22.89 -999 ? C15 HXA A9136 >LYS~A 219 23.70 44.71 23.59 18.90 43.69 26.60 21.30 44.20 25.09 2 0 22.35 -999 ? C13 HXA A9136 >ASN~A 220 27.84 44.60 25.58 26.54 45.26 27.12 27.19 44.93 26.35 2 0 18.56 -999 ? C13 HXA A9136 >SER~A 221 29.64 43.65 21.49 28.35 42.31 19.92 29.00 42.98 20.71 2 0 19.13 -999 ? ZN ZN A6006 >HIS.A 222 28.03 48.61 20.38 27.59 49.59 22.18 27.81 49.10 21.28 3 0 -21.50 -999 ? ZN ZN A6006s >ARG.A 223 32.63 49.21 25.60 33.98 50.00 28.24 33.30 49.60 26.92 2 0 16.08 -999 ? ZN ZN A6006 >PRO.A 224 35.49 48.20 19.24 34.78 46.87 20.90 35.14 47.54 20.07 3 0 15.79 -999 ? ZN ZN A6006 >ILE^A 225 35.70 42.26 23.17 34.88 41.31 23.63 35.29 41.79 23.40 3 0 11.47 -999 ? ZN ZN A6006 >ALA^A 226 40.14 43.33 23.74 40.89 44.16 24.74 40.51 43.75 24.24 2 0 7.94 -999 ? ZN ZN A6006 >GLU^A 227 41.30 38.85 27.10 43.16 39.00 27.98 42.23 38.93 27.54 2 0 -2.08 -999 ? ZN ZN A6006s >ILE^A 228 35.91 37.50 25.67 34.71 37.17 25.17 35.31 37.33 25.42 3 0 10.29 -999 ? ZN ZN A6006 >ALA^A 229 37.69 34.31 28.67 38.81 34.55 29.70 38.25 34.43 29.19 2 0 7.59 -999 ? ZN ZN A6006 >ILE^A 230 34.58 30.70 29.06 33.46 30.37 28.32 34.02 30.53 28.69 3 0 8.84 -999 ? C16 HXA A9136 >SER^A 231 36.04 29.28 33.10 37.96 30.48 33.92 37.00 29.88 33.51 2 0 5.34 -999 ? C16 HXA A9136 >TYR^A 232 34.66 24.60 32.68 36.68 22.86 31.84 35.67 23.73 32.26 3 0 7.81 -999 ? C17 HXA A9136 >ALA^A 233 33.43 24.08 37.35 33.04 24.66 38.72 33.24 24.37 38.04 2 0 4.24 -999 ? C17 HXA A9136 >GLY.A 234 32.27 20.59 36.36 32.93 20.93 35.99 32.60 20.76 36.17 1 0 4.51 -999 ? ZN ZN A6012 >GLU.A 235 31.82 16.90 33.01 30.89 16.89 34.94 31.35 16.89 33.98 2 0 -2.04 -999 ? ZN ZN A6012s >ALA~A 236 33.50 21.61 29.88 34.83 21.44 29.14 34.16 21.52 29.51 2 0 10.07 -999 ? ZN ZN A6012 >SER~A 237 30.46 21.04 27.64 28.71 19.71 28.72 29.58 20.37 28.18 2 0 8.25 -999 ? ZN ZN A6012 >LEU~A 238 27.83 24.36 30.25 26.48 26.05 30.70 27.16 25.20 30.47 3 0 9.96 -999 ? C17 HXA A9136 >ALA~A 239 31.56 26.42 28.60 32.90 26.24 29.37 32.23 26.33 28.98 2 0 8.66 -999 ? C17 HXA A9136 >LEU~A 240 32.72 23.72 24.73 34.79 23.02 24.92 33.75 23.37 24.82 3 0 13.93 -999 ? ZN ZN A6012 >THR~A 241 28.62 25.78 24.12 26.72 24.83 24.43 27.67 25.30 24.28 2 0 14.63 -999 ? ZN ZN A6012 >LEU~A 242 29.31 29.72 26.92 27.72 29.76 28.41 28.51 29.74 27.67 3 0 11.02 -999 ? C17 HXA A9136 >LYS~A 243 32.32 29.73 23.54 37.89 27.92 21.72 35.10 28.82 22.63 2 0 10.80 -999 ? ZN ZN A6001 >GLU~A 244 29.69 26.80 18.79 28.75 24.82 18.80 29.22 25.81 18.80 2 0 19.33 -999 ? ZN ZN A6012 >ARG~A 245 24.78 30.66 22.36 22.15 29.17 21.88 23.47 29.91 22.12 2 0 19.19 -999 ? C17 HXA A9136 >ILE~A 246 31.76 34.22 22.85 32.37 34.66 24.02 32.07 34.44 23.43 3 0 14.49 -999 ? ZN ZN A6006 >ALA~A 247 32.50 33.18 18.53 32.94 31.75 18.22 32.72 32.47 18.38 2 0 16.52 -999 ? ZN ZN A6001 >ALA.A 248 29.54 34.48 16.45 28.12 34.00 16.63 28.83 34.24 16.54 2 0 21.07 -999 ? ZN ZN A6006 >TYR.A 249 27.89 38.37 19.10 25.10 38.21 19.18 26.50 38.29 19.14 3 0 20.75 -999 ? ZN ZN A6006 >TYR.A 250 35.41 38.17 20.42 38.01 38.57 21.38 36.71 38.37 20.90 3 0 11.17 -999 ? ZN ZN A6006 >ASN.A 251 37.01 37.86 14.92 38.42 37.13 13.48 37.72 37.50 14.20 2 0 -16.25 -999 ? ZN ZN A6006s >HIS.A 252 40.74 38.63 18.03 41.31 40.09 16.63 41.03 39.36 17.33 3 0 -11.68 -999 ? ZN ZN A6006s >SER.A 253 40.95 33.45 20.48 42.72 31.95 21.21 41.83 32.70 20.84 2 0 7.77 -999 ? ZN ZN A6001 >ILE.A 254 37.39 32.34 23.52 36.08 32.61 23.44 36.73 32.47 23.48 3 0 10.63 -999 ? ZN ZN A6001 >SER^A 255 40.69 31.12 26.69 42.09 31.09 28.68 41.39 31.11 27.68 2 0 4.14 -999 ? ZN ZN A6001 >VAL^A 256 38.51 28.32 28.14 36.67 27.54 27.16 37.59 27.93 27.65 3 0 9.03 -999 ? ZN ZN A6001 >LEU^A 257 41.07 27.81 31.95 43.06 28.14 31.05 42.06 27.98 31.50 3 0 5.55 -999 ? CL CL A7001 >GLU^A 258 38.31 22.76 35.88 39.05 20.84 36.52 38.68 21.80 36.20 2 0 9.98 -999 ? C17 HXA A9136 >THR.A 259 38.55 27.04 37.40 36.99 27.86 38.68 37.77 27.45 38.04 2 0 3.78 -999 ? C16 HXA A9136 >GLY~A 260 40.61 26.19 40.53 39.79 26.32 40.59 40.20 26.26 40.56 1 0 8.14 -999 ? C16 HXA A9136 >SER~A 261 39.59 24.33 43.73 41.38 24.22 45.42 40.48 24.28 44.57 2 0 9.18 -999 ? C2 HXA A9136 >ILE~A 262 39.99 28.74 45.79 40.32 28.77 47.17 40.16 28.75 46.48 3 0 -4.78 -999 ? C2 HXA A9136s >ILE~A 263 36.62 29.32 41.81 36.25 30.65 42.00 36.44 29.99 41.91 3 0 -4.26 -999 ? C12 HXA A9136s >GLN~A 264 36.31 24.00 40.83 37.15 22.10 40.30 36.73 23.05 40.56 2 0 8.24 -999 ? C17 HXA A9136 >THR~A 265 34.30 24.75 46.38 35.59 24.36 48.09 34.95 24.55 47.24 2 0 4.96 -999 ? O3 GOL A2647 >HIS~A 266 33.56 29.31 48.04 34.40 29.38 49.96 33.98 29.34 49.00 3 0 3.76 -999 ? C5 HXA A9136s >THR~A 267 30.29 27.58 43.20 31.67 28.12 41.57 30.98 27.85 42.39 2 0 4.22 -999 ? C17 HXA A9136 >GLY~A 268 29.75 23.82 42.94 30.08 24.37 42.36 29.92 24.09 42.65 1 0 7.96 -999 ? C17 HXA A9136 >GLU.A 269 30.31 19.57 39.72 29.83 17.63 39.05 30.07 18.60 39.39 2 0 -2.67 -999 ? ZN ZN A6012s >GLY.A 270 27.64 23.37 36.64 28.16 23.79 37.12 27.90 23.58 36.88 1 0 6.64 -999 ? ZN ZN A6012 >ALA^A 271 29.09 26.84 37.13 29.61 27.29 38.49 29.35 27.07 37.81 2 0 3.86 -999 ? C17 HXA A9136 >PHE^A 272 29.12 29.74 32.94 26.88 31.37 32.56 28.00 30.55 32.75 3 0 -7.28 -999 ? C17 HXA A9136s >ALA^A 273 32.17 32.59 34.28 33.21 33.14 35.27 32.69 32.87 34.77 2 0 -3.55 -999 ? C14 HXA A9136s >VAL^A 274 32.33 34.82 31.24 31.16 34.81 29.39 31.75 34.81 30.31 3 0 8.95 -999 ? C14 HXA A9136 >MET?A 275 35.01 37.46 31.76 36.68 34.95 34.72 35.85 36.21 33.24 2 0 4.97 -999 ? C14 HXA A9136 >VAL^A 276 35.29 40.36 29.33 33.45 40.63 28.10 34.37 40.50 28.72 3 0 10.99 -999 ? ZN ZN A6006 >ARG^A 277 41.70 43.71 29.55 43.37 43.65 26.93 42.54 43.68 28.24 2 0 5.66 -999 ? ZN ZN A6006 >TYR^A 278 34.52 46.24 26.80 32.08 44.88 26.77 33.30 45.56 26.79 3 0 13.90 -999 ? ZN ZN A6006 >GLU.A 279 39.82 47.11 22.14 41.90 46.67 22.02 40.86 46.89 22.08 2 0 10.80 -999 ? ZN ZN A6006 >ALA.B 0 69.21 22.81 69.97 69.50 22.46 68.52 69.36 22.63 69.25 2 0 14.90 -999 ? ZN ZN B6009 >MET?B 1 70.00 26.56 70.08 70.45 29.88 67.37 70.23 28.22 68.72 2 0 11.59 -999 ? ZN ZN B6009 >GLY.B 2 66.85 27.31 72.12 66.74 27.33 71.31 66.79 27.32 71.72 1 0 9.39 -999 ? ZN ZN B6009 >THR.B 3 63.47 29.03 71.71 61.67 27.82 71.55 62.57 28.42 71.63 2 0 8.42 -999 ? ZN ZN B6015 >ILE^B 4 64.15 33.74 71.35 65.35 34.60 71.44 64.75 34.17 71.39 3 0 8.62 -999 ? ZN ZN B6009 >LYS^B 5 59.78 34.59 72.60 56.86 30.82 69.54 58.32 32.70 71.07 2 0 3.96 -999 ? ZN ZN B6015 >ILE^B 6 58.78 39.09 71.33 60.04 39.71 71.27 59.41 39.40 71.30 3 0 10.93 -999 ? ZN ZN B6015 >VAL^B 7 56.82 39.94 75.38 56.54 39.26 77.46 56.68 39.60 76.42 3 0 11.02 -999 ? ZN ZN B6015 >THR^B 8 55.44 43.47 75.21 54.70 44.59 73.43 55.07 44.03 74.32 2 0 13.48 -999 ? C2 HXA B8136 >ASP^B 9 53.14 46.57 78.02 53.94 48.33 77.16 53.54 47.45 77.59 2 0 8.31 -999 ? C2 HXA B8136 >SER.B 10 49.28 46.58 75.72 47.86 46.91 77.65 48.57 46.75 76.68 2 0 8.70 -999 ? C2 HXA B8136 >SER.B 11 50.38 50.15 75.01 52.63 50.98 75.48 51.51 50.57 75.25 2 0 6.93 -999 ? C4 HXA B8136 >ILE.B 12 52.14 47.20 71.40 52.34 45.98 70.72 52.24 46.59 71.06 3 0 11.22 -999 ? ZN ZN A6005 >THR.B 13 49.38 49.48 68.73 48.35 51.36 68.34 48.86 50.42 68.54 2 0 7.23 -999 ? C16 HXA B8136 >ILE.B 14 50.35 45.74 66.79 50.93 44.49 67.13 50.64 45.11 66.96 3 0 6.99 -999 ? ZN ZN A6005 >GLU~B 15 46.52 45.46 61.90 46.68 45.01 59.84 46.60 45.23 60.87 2 0 -3.01 -999 ? ZN ZN A6005s >PRO~B 16 43.62 41.98 65.92 45.91 41.99 65.88 44.76 41.99 65.90 3 0 5.63 -999 ? ZN ZN B6010 >GLU~B 17 44.88 39.39 61.40 43.74 41.12 61.86 44.31 40.26 61.63 2 0 -2.72 -999 ? ZN ZN B6010s >LEU~B 18 51.00 41.59 63.32 51.14 42.77 61.45 51.07 42.18 62.39 3 0 5.12 -999 ? ZN ZN A6005 >ILE~B 19 49.36 39.89 68.36 50.15 40.42 69.45 49.76 40.16 68.91 3 0 10.73 -999 ? ZN ZN A6005 >LYS~B 20 48.90 35.93 66.29 45.86 31.85 66.33 47.38 33.89 66.31 2 0 9.54 -999 ? ZN ZN B6015 >ALA~B 21 51.22 35.31 63.28 51.27 36.15 62.00 51.25 35.73 62.64 2 0 10.65 -999 ? ZN ZN A6005 >LEU~B 22 54.92 37.54 65.23 55.77 38.45 63.45 55.34 37.99 64.34 3 0 10.39 -999 ? ZN ZN A6008 >ASP~B 23 53.99 33.21 68.77 53.43 32.00 70.44 53.71 32.61 69.61 2 0 -2.22 -999 ? ZN ZN B6015s >ILE.B 24 53.77 39.27 70.05 54.25 40.43 69.47 54.01 39.85 69.76 3 0 9.89 -999 ? ZN ZN B6015 >THR^B 25 52.75 37.89 74.30 53.15 36.46 75.86 52.95 37.17 75.08 2 0 7.59 -999 ? ZN ZN B6015 >VAL^B 26 51.01 41.16 75.23 50.19 42.53 73.72 50.60 41.84 74.47 3 0 12.39 -999 ? ZN ZN B6015 >VAL^B 27 50.85 41.86 78.99 52.36 41.42 80.58 51.61 41.64 79.78 3 0 12.35 -999 ? O1 HXA B8136 >PRO.B 28 46.74 42.22 80.68 48.29 43.53 79.68 47.51 42.88 80.18 3 0 11.64 -999 ? C2 HXA B8136 >LEU.B 29 48.34 48.74 81.12 50.33 49.44 80.51 49.34 49.09 80.81 3 0 -5.17 -999 ? C2 HXA B8136s >SER^B 30 44.61 48.23 83.44 44.86 46.45 85.09 44.74 47.34 84.27 2 0 8.52 -999 ? O3 TRS B5080 >VAL^B 31 42.17 51.14 83.30 41.32 52.16 81.52 41.75 51.65 82.41 3 0 7.17 -999 ? O2 GOL B2648 >MET?B 32 39.59 52.32 85.83 38.70 51.42 89.25 39.14 51.87 87.54 2 0 10.38 -999 ? O2 GOL B2648 >ILE^B 33 35.98 53.21 82.93 35.99 53.18 81.51 35.99 53.19 82.22 3 0 10.46 -999 ? C1 GOL B2648 >ASP.B 34 32.53 55.45 86.26 32.36 57.33 85.26 32.45 56.39 85.76 2 0 12.01 -999 ? O1 GOL B2648 >SER.B 35 35.21 52.94 89.63 34.72 54.32 91.56 34.96 53.63 90.59 2 0 12.79 -999 ? C1 GOL B2648 >LYS^B 36 35.31 49.73 87.57 30.71 47.72 89.42 33.01 48.72 88.49 2 0 18.37 -999 ? C1 GOL B2648 >LEU^B 37 39.55 47.55 87.64 41.72 47.93 87.74 40.64 47.74 87.69 3 0 10.84 -999 ? O3 TRS B5080 >TYR^B 38 37.08 47.95 82.23 34.38 48.32 82.95 35.73 48.14 82.59 3 0 13.67 -999 ? O2 GOL B2648 >SER^B 39 41.98 44.92 81.42 43.19 43.10 80.40 42.58 44.01 80.91 2 0 13.14 -999 ? O2 HXA B8136 >ASP.B 40 44.63 47.71 78.42 44.86 48.81 76.62 44.75 48.26 77.52 2 0 9.28 -999 ? C2 HXA B8136 >ASN~B 41 44.14 42.39 76.81 46.25 42.40 76.35 45.19 42.39 76.58 2 0 13.56 -999 ? C2 HXA B8136 >ASP~B 42 38.77 43.47 77.94 39.08 41.50 78.69 38.92 42.49 78.31 2 0 17.16 -999 ? C2 HXA B8136 >LEU~B 43 39.89 48.36 76.21 38.72 48.99 77.93 39.31 48.67 77.07 3 0 12.98 -999 ? O2 GOL B2648 >LYS.B 44 40.88 46.85 71.67 45.70 48.18 73.48 43.29 47.51 72.57 2 0 11.23 -999 ? C4 HXA B8136 >GLU.B 45 35.26 46.12 69.01 35.88 44.88 67.40 35.57 45.50 68.21 2 0 8.81 -999 ? ZN ZN B6010 >GLU.B 46 37.91 51.40 65.34 37.70 51.52 63.22 37.81 51.46 64.28 2 0 9.73 -999 ? ZN ZN B6010 >GLY~B 47 35.98 53.04 68.99 36.13 52.39 69.45 36.06 52.72 69.22 1 0 10.06 -999 ? ZN ZN B6016 >HIS~B 48 33.85 48.84 71.36 32.51 47.67 70.22 33.18 48.25 70.79 3 0 -13.97 -999 ? ZN ZN B6010s >PHE~B 49 38.97 53.37 76.10 39.77 54.91 78.34 39.37 54.14 77.22 3 0 10.06 -999 ? O2 GOL B2648 >LEU~B 50 36.58 56.54 71.57 36.79 58.59 70.80 36.69 57.57 71.19 3 0 6.13 -999 ? ZN ZN B6016 >SER~B 51 32.71 55.78 73.76 31.72 54.70 71.77 32.21 55.24 72.77 2 0 9.72 -999 ? ZN ZN B6016 >LEU~B 52 34.34 53.47 77.74 33.65 51.44 78.24 33.99 52.45 77.99 3 0 13.91 -999 ? O1 GOL B2648 >MET?B 53 35.80 57.68 77.90 39.67 59.34 77.09 37.73 58.51 77.49 2 0 8.04 -999 ? O1 GOL B2648 >LYS~B 54 33.37 60.20 76.33 33.26 63.16 72.32 33.32 61.68 74.32 2 0 4.26 -999 ? ZN ZN B6016 >ALA~B 55 30.47 58.95 78.48 29.66 57.73 78.10 30.06 58.34 78.29 2 0 12.30 -999 ? ZN ZN B6016 >SER~B 56 32.31 58.54 81.81 34.71 58.79 81.60 33.51 58.67 81.70 2 0 9.60 -999 ? O1 GOL B2648 >LYS.B 57 31.51 60.81 84.76 26.60 59.17 84.53 29.06 59.99 84.64 2 0 17.38 -999 ? O1 GOL B2648 >SER.B 58 35.23 61.36 85.46 35.72 59.99 87.41 35.48 60.68 86.43 2 0 8.96 -999 ? O1 GOL B2648 >LEU.B 59 39.76 61.59 83.56 40.55 62.48 81.73 40.16 62.04 82.64 3 0 4.37 -999 ? O1 GOL B2648 >PRO.B 60 38.56 57.11 81.17 39.30 57.74 83.20 38.93 57.42 82.18 3 0 -5.97 -999 ? O1 GOL B2648s >LYS^B 61 42.73 56.19 85.29 43.46 61.16 86.63 43.09 58.67 85.96 2 0 -2.98 -999 ? O1 GOL B2648s >THR^B 62 45.46 53.82 84.04 46.43 54.86 82.41 45.94 54.34 83.22 2 0 3.19 -999 ? O2 GOL B2648s >SER^B 63 47.66 51.41 85.98 46.32 51.36 87.96 46.99 51.38 86.97 2 0 4.27 -999 ? O3 TRS B5080s >GLN.B 64 52.40 49.47 87.02 54.13 50.37 87.85 53.26 49.92 87.43 2 0 3.80 -999 ? C1 TRS B5080s >PRO.B 65 51.48 45.74 82.80 50.69 46.36 84.85 51.08 46.05 83.82 3 0 7.22 -999 ? O1 HXA B8136 >PRO~B 66 48.51 43.43 88.35 50.56 44.25 87.84 49.54 43.84 88.09 3 0 8.47 -999 ? O3 TRS B5080 >VAL~B 67 54.31 42.57 89.24 56.04 43.11 90.51 55.17 42.84 89.87 3 0 10.71 -999 ? O3 TRS B5080 >GLY~B 68 52.55 39.19 89.89 52.53 39.64 89.23 52.54 39.42 89.56 1 0 13.39 -999 ? O3 TRS B5080 >LEU~B 69 50.03 40.29 85.87 48.67 40.07 84.18 49.35 40.18 85.02 3 0 12.44 -999 ? O3 TRS B5080 >PHE~B 70 55.24 41.89 83.97 54.98 44.02 82.13 55.11 42.96 83.05 3 0 10.96 -999 ? O1 HXA B8136 >ALA~B 71 55.77 36.89 87.11 55.72 36.90 88.64 55.75 36.89 87.87 2 0 16.24 -999 ? O3 TRS B5080 >GLU~B 72 51.29 34.22 87.94 52.00 32.33 88.78 51.64 33.28 88.36 2 0 17.32 -999 ? ZN ZN B6015 >THR~B 73 53.36 35.41 82.38 52.78 37.08 81.14 53.07 36.24 81.76 2 0 11.77 -999 ? ZN ZN B6015 >TYR~B 74 58.30 36.91 82.54 58.54 39.51 81.54 58.42 38.21 82.04 3 0 12.88 -999 ? ZN ZN B6009 >GLU~B 75 56.77 31.78 87.03 55.67 32.06 88.85 56.22 31.92 87.94 2 0 17.42 -999 ? ZN ZN B6015 >ASN~B 76 52.81 30.84 81.46 51.28 30.65 82.93 52.04 30.74 82.19 2 0 11.51 -999 ? ZN ZN B6015 >LEU~B 77 57.15 32.27 78.61 56.15 33.62 77.18 56.65 32.95 77.90 3 0 7.49 -999 ? ZN ZN B6015 >VAL~B 78 59.45 29.01 80.79 60.94 29.34 82.38 60.20 29.18 81.59 3 0 11.18 -999 ? ZN ZN B6009 >LYS~B 79 56.98 26.08 81.35 53.30 26.85 86.52 55.14 26.47 83.93 2 0 15.22 -999 ? ZN ZN B6015 >LYS~B 80 56.40 26.03 77.58 51.34 27.58 77.00 53.87 26.81 77.29 2 0 6.34 -999 ? ZN ZN B6015 >GLY.B 81 60.15 25.57 77.00 59.86 26.33 76.99 60.01 25.95 76.99 1 0 9.62 -999 ? ZN ZN B6015 >VAL.B 82 61.08 29.15 76.19 59.81 30.84 75.57 60.44 30.00 75.88 3 0 8.06 -999 ? ZN ZN B6015 >THR.B 83 64.84 29.58 76.89 65.76 28.15 75.51 65.30 28.87 76.20 2 0 7.45 -999 ? ZN ZN B6009 >ASP^B 84 66.30 33.72 75.44 68.17 33.61 76.41 67.23 33.67 75.92 2 0 -2.55 -999 ? ZN ZN B6009s >ILE^B 85 61.48 35.98 77.78 60.40 35.60 78.51 60.94 35.79 78.14 3 0 9.19 -999 ? ZN ZN B6009 >VAL^B 86 62.92 39.56 75.20 64.27 40.12 73.55 63.59 39.84 74.37 3 0 9.63 -999 ? ZN ZN B6009 >ALA^B 87 60.56 42.02 76.87 60.24 41.89 78.36 60.40 41.96 77.62 2 0 12.66 -999 ? ZN ZN B6009 >ILE^B 88 60.12 45.37 73.54 60.63 45.43 72.28 60.38 45.40 72.91 3 0 13.15 -999 ? ZN ZN A6008 >HIS^B 89 57.90 46.45 78.84 57.22 44.52 79.26 57.56 45.49 79.05 3 0 11.01 -999 ? O1 HXA B8136 >LEU.B 90 55.48 52.18 76.88 54.11 52.22 78.56 54.80 52.20 77.72 3 0 5.94 -999 ? C4 HXA B8136 >SER.B 91 59.33 54.37 77.87 60.32 56.57 78.01 59.83 55.47 77.94 2 0 9.01 -999 ? C11 HXA B8136 >PRO.B 92 62.29 54.47 81.09 60.04 54.53 80.93 61.17 54.50 81.01 3 0 9.22 -999 ? O1 TRS B5080 >ALA.B 93 59.28 58.40 81.04 59.72 59.24 79.89 59.50 58.82 80.46 2 0 8.74 -999 ? C7 HXA B8136 >LEU.B 94 55.20 56.88 79.10 55.29 58.18 77.31 55.25 57.53 78.20 3 0 -4.27 -999 ? C7 HXA B8136s >SER.B 95 55.03 54.41 82.81 53.45 52.55 82.73 54.24 53.48 82.77 2 0 2.40 -999 ? O1 HXA B8136s >GLY~B 96 56.61 52.24 85.53 56.09 51.95 84.92 56.35 52.09 85.23 1 0 -3.58 -999 ? O1 TRS B5080s >THR~B 97 55.49 49.19 83.47 54.05 48.78 81.88 54.77 48.98 82.67 2 0 5.56 -999 ? O1 HXA B8136 >ILE~B 98 60.04 49.38 81.68 61.34 49.98 81.35 60.69 49.68 81.52 3 0 9.45 -999 ? O1 TRS B5080 >GLU~B 99 60.91 50.56 86.97 62.95 50.12 86.43 61.93 50.34 86.70 2 0 10.24 -999 ? O1 TRS B5080 >ALA~B 100 57.24 45.85 87.00 55.74 46.15 86.81 56.49 46.00 86.90 2 0 8.02 -999 ? O1 TRS B5080 >SER~B 101 58.33 43.73 84.07 58.76 43.14 81.78 58.54 43.43 82.93 2 0 12.60 -999 ? O1 TRS B5080 >ARG~B 102 64.99 45.53 86.49 64.06 46.40 89.32 64.53 45.96 87.91 2 0 -13.41 -999 ? O1 TRS B5080s >GLN~B 103 60.62 45.00 90.27 59.53 46.77 90.73 60.08 45.89 90.50 2 0 10.48 -999 ? O1 TRS B5080 >GLY~B 104 58.17 40.06 87.70 58.99 40.14 87.57 58.58 40.10 87.64 1 0 14.41 -999 ? O3 TRS B5080 >ALA~B 105 61.03 38.44 85.78 61.89 39.13 84.73 61.46 38.78 85.26 2 0 11.62 -999 ? ZN ZN B6009 >GLU~B 106 64.47 40.53 89.35 64.88 42.22 90.54 64.68 41.38 89.94 2 0 15.74 -999 ? ZN ZN B6009s >ILE~B 107 58.82 37.21 91.20 57.70 37.56 92.07 58.26 37.39 91.64 3 0 17.21 -999 ? O3 TRS B5080 >ALA~B 108 59.81 34.17 88.12 59.16 34.47 86.76 59.48 34.32 87.44 2 0 13.68 -999 ? ZN ZN B6009 >GLU~B 109 63.83 32.64 90.38 65.28 34.03 91.13 64.56 33.34 90.76 2 0 -13.64 -999 ? ZN ZN B6009s >ALA.B 110 63.01 33.80 84.17 61.62 34.28 83.68 62.32 34.04 83.92 2 0 9.88 -999 ? ZN ZN B6009 >PRO.B 111 64.85 32.51 80.34 65.07 34.19 81.81 64.96 33.35 81.07 3 0 5.67 -999 ? ZN ZN B6009 >VAL^B 112 64.15 37.88 80.51 62.07 38.38 81.01 63.11 38.13 80.76 3 0 8.46 -999 ? ZN ZN B6009 >THR^B 113 66.07 40.63 78.75 67.75 40.58 77.37 66.91 40.60 78.06 2 0 7.27 -999 ? ZN ZN B6009 >VAL^B 114 64.07 43.79 79.51 62.86 44.15 81.32 63.47 43.97 80.41 3 0 12.30 -999 ? ZN ZN B6009 >LEU^B 115 64.51 46.17 75.48 66.13 44.98 74.62 65.32 45.57 75.05 3 0 13.14 -999 ? ZN ZN B6009 >ASP^B 116 63.87 51.34 77.75 63.08 53.27 77.42 63.48 52.30 77.58 2 0 12.43 -999 ? C11 HXA B8136 >SER.B 117 61.71 50.80 73.49 59.33 51.48 73.52 60.52 51.14 73.51 2 0 10.20 -999 ? C11 HXA B8136 >GLY.B 118 61.98 54.58 74.07 61.28 54.17 73.91 61.63 54.38 73.99 1 0 10.25 -999 ? C11 HXA B8136 >PHE.B 119 59.78 55.39 70.51 62.11 56.56 69.42 60.95 55.98 69.97 3 0 9.29 -999 ? C13 HXA B8136 >THR~B 120 55.03 53.19 72.76 53.35 54.26 73.74 54.19 53.72 73.25 2 0 4.70 -999 ? C12 HXA B8136 >ASP~B 121 51.74 54.05 70.02 50.14 54.29 68.64 50.94 54.17 69.33 2 0 4.18 -999 ? C14 HXA B8136 >GLN~B 122 51.10 52.01 65.31 50.33 52.18 63.35 50.72 52.10 64.33 2 0 6.60 -999 ? ZN ZN A6005 >ALA~B 123 56.87 53.08 67.12 57.31 54.42 67.67 57.09 53.75 67.39 2 0 7.56 -999 ? C13 HXA B8136 >MET?B 124 57.26 50.32 69.74 56.52 49.25 73.81 56.89 49.78 71.77 2 0 10.51 -999 ? C13 HXA B8136 >LYS~B 125 55.56 47.97 67.28 52.56 49.11 62.34 54.06 48.54 64.81 2 0 4.71 -999 ? ZN ZN A6005 >PHE~B 126 58.38 50.90 63.93 56.78 52.91 62.75 57.58 51.90 63.34 3 0 5.38 -999 ? ZN ZN A6008 >GLN~B 127 62.17 48.77 68.57 62.41 49.88 70.34 62.29 49.33 69.45 2 0 11.60 -999 ? ZN ZN A6008 >VAL~B 128 58.51 44.15 68.68 56.91 44.15 70.21 57.71 44.15 69.44 3 0 9.68 -999 ? ZN ZN A6008 >VAL~B 129 57.64 42.87 65.17 56.16 43.33 63.61 56.90 43.10 64.39 3 0 5.93 -999 ? ZN ZN A6008 >GLU~B 130 63.63 43.66 63.85 64.11 43.31 61.81 63.87 43.48 62.83 2 0 8.36 -999 ? ZN ZN A6008 >ALA~B 131 62.33 40.94 67.28 62.26 41.50 68.71 62.29 41.22 67.99 2 0 11.52 -999 ? ZN ZN A6008 >ALA~B 132 59.41 38.45 66.97 57.92 38.82 67.16 58.67 38.64 67.07 2 0 10.69 -999 ? ZN ZN B6015 >LYS~B 133 60.00 37.78 63.27 61.27 41.90 59.23 60.63 39.84 61.25 2 0 7.11 -999 ? ZN ZN A6008 >MET?B 134 63.65 37.06 64.02 66.16 40.50 63.94 64.91 38.78 63.98 2 0 12.05 -999 ? ZN ZN A6008 >ALA~B 135 62.88 34.86 67.06 62.12 35.28 68.32 62.50 35.07 67.69 2 0 10.50 -999 ? ZN ZN B6015 >LYS~B 136 60.51 32.78 64.89 55.72 32.42 60.95 58.11 32.60 62.92 2 0 11.16 -999 ? ZN ZN B6015 >ALA~B 137 63.33 32.46 62.28 63.82 33.63 61.40 63.57 33.05 61.84 2 0 14.91 -999 ? ZN ZN B6015 >GLY.B 138 65.77 31.08 64.93 65.81 31.83 64.65 65.79 31.45 64.79 1 0 13.95 -999 ? ZN ZN B6015 >ALA.B 139 67.97 34.19 65.21 67.60 35.62 64.89 67.79 34.90 65.05 2 0 13.73 -999 ? ZN ZN B6009 >SER~B 140 70.32 34.36 68.22 72.25 35.67 67.75 71.29 35.01 67.98 2 0 11.00 -999 ? ZN ZN B6009 >LEU~B 141 69.80 36.19 72.71 68.92 37.18 74.47 69.36 36.68 73.59 3 0 5.60 -999 ? ZN ZN B6009 >ASN~B 142 73.94 38.51 70.31 74.79 38.27 72.26 74.36 38.39 71.29 2 0 9.03 -999 ? ZN ZN B6009 >GLU~B 143 72.39 37.58 65.17 72.06 35.74 64.14 72.22 36.66 64.65 2 0 14.47 -999 ? ZN ZN B6009 >ILE~B 144 66.82 39.28 68.77 65.62 38.56 69.04 66.22 38.92 68.91 3 0 11.36 -999 ? ZN ZN B6009 >LEU~B 145 70.03 42.33 71.68 69.28 41.73 73.68 69.65 42.03 72.68 3 0 10.06 -999 ? ZN ZN B6009 >ALA~B 146 71.35 44.42 67.83 72.48 43.74 67.02 71.92 44.08 67.42 2 0 15.33 -999 ? ZN ZN B6009 >ALA~B 147 68.44 44.63 65.38 67.76 43.44 64.73 68.10 44.04 65.06 2 0 12.28 -999 ? ZN ZN A6008 >VAL~B 148 66.10 46.13 68.04 64.82 45.35 69.67 65.46 45.74 68.86 3 0 12.11 -999 ? ZN ZN A6008 >GLN~B 149 70.83 49.72 70.09 69.69 51.13 71.23 70.26 50.43 70.66 2 0 17.11 -999 ? ZN ZN A6008 >ALA~B 150 69.22 49.63 65.35 69.60 48.60 64.22 69.41 49.12 64.79 2 0 13.23 -999 ? ZN ZN A6008 >ILE~B 151 64.34 49.10 64.88 63.21 48.36 64.26 63.77 48.73 64.57 3 0 8.07 -999 ? ZN ZN A6008 >LYS~B 152 65.19 52.19 68.07 65.99 52.70 74.34 65.59 52.45 71.20 2 0 14.68 -999 ? C11 HXA B8136 >SER~B 153 68.15 54.40 67.03 69.82 53.28 65.65 68.99 53.84 66.34 2 0 15.04 -999 ? ZN ZN A6008 >LYS~B 154 66.43 55.24 63.68 69.75 51.18 60.19 68.09 53.21 61.93 2 0 13.29 -999 ? ZN ZN A6008 >THR^B 155 62.91 55.89 65.05 61.51 54.33 65.71 62.21 55.11 65.38 2 0 9.80 -999 ? ZN ZN A6008 >GLU^B 156 63.09 60.72 64.84 63.64 62.18 63.37 63.37 61.45 64.11 2 0 10.80 -999 ? ZN ZN B6014 >LEU^B 157 57.44 58.97 68.61 55.54 58.75 69.79 56.49 58.86 69.20 3 0 4.90 -999 ? C13 HXA B8136 >TYR^B 158 57.38 64.10 65.42 60.12 64.26 64.88 58.75 64.18 65.15 3 0 10.73 -999 ? C13 HXA B8136 >ILE^B 159 52.40 62.78 70.34 51.98 63.15 71.81 52.19 62.97 71.07 3 0 -4.14 -999 ? C10 HXA B8136s >GLY^B 160 49.91 66.25 68.51 49.70 65.53 68.92 49.81 65.89 68.72 1 0 7.37 -999 ? C17 HXA B8136 >VAL^B 161 47.16 67.04 71.08 48.16 66.91 73.06 47.66 66.97 72.07 3 0 7.89 -999 ? C17 HXA B8136 >SER.B 162 44.10 69.28 70.81 43.35 68.45 68.68 43.73 68.86 69.75 2 0 9.43 -999 ? ZN ZN B6016 >THR.B 163 43.87 69.78 74.61 42.39 68.75 75.86 43.13 69.26 75.24 2 0 11.35 -999 ? ZN ZN B6016 >LEU~B 164 47.02 70.81 78.06 48.82 71.62 77.09 47.92 71.21 77.58 3 0 11.53 -999 ? C9 HXA B8136 >GLU~B 165 41.20 68.31 81.09 39.22 67.60 80.77 40.21 67.96 80.93 2 0 9.29 -999 ? O1 GOL B2648 >ASN~B 166 44.03 63.74 78.64 41.97 63.68 78.11 43.00 63.71 78.37 2 0 6.99 -999 ? O1 GOL B2648 >LEU~B 167 48.95 66.07 79.16 49.96 65.22 77.42 49.45 65.65 78.29 3 0 6.14 -999 ? C9 HXA B8136 >VAL~B 168 47.44 67.51 83.21 46.99 69.66 83.58 47.22 68.59 83.39 3 0 9.00 -999 ? O1 GOL B2648 >LYS~B 169 44.92 65.22 84.87 40.67 68.56 84.55 42.80 66.89 84.71 2 0 8.99 -999 ? O1 GOL B2648 >GLY~B 170 46.96 62.01 84.23 47.32 62.72 84.39 47.14 62.37 84.31 1 0 -3.54 -999 ? O1 GOL B2648s >GLY~B 171 50.24 63.64 85.30 50.13 63.56 84.51 50.19 63.60 84.91 1 0 6.21 -999 ? C3 GOL B2648 >ARG~B 172 51.60 60.24 82.61 51.35 58.05 84.74 51.47 59.14 83.67 2 0 3.58 -999 ? N TRS B5080s >ILE~B 173 51.10 68.06 82.06 50.97 68.86 81.76 51.04 68.46 81.91 3 0 9.96 -999 ? C9 HXA B8136 >GLY~B 174 55.24 66.68 83.96 55.17 66.46 83.19 55.20 66.57 83.58 1 0 10.63 -999 ? C9 HXA B8136 >ARG.B 175 58.24 62.52 81.93 60.22 64.64 83.03 59.23 63.58 82.48 2 0 11.66 -999 ? C9 HXA B8136 >VAL^B 176 56.25 68.19 78.68 54.29 68.57 77.69 55.27 68.38 78.19 3 0 8.84 -999 ? C9 HXA B8136 >THR^B 177 59.08 70.68 78.28 60.74 69.33 77.88 59.91 70.01 78.08 2 0 12.57 -999 ? C10 HXA B8136 >GLY.B 178 58.82 74.25 77.02 58.14 73.91 77.14 58.48 74.08 77.08 1 0 15.30 -999 ? C10 HXA B8136 >ASN.B 185 41.13 74.03 74.82 40.11 73.05 76.42 40.62 73.54 75.62 2 0 13.35 -999 ? ZN ZN B6016 >VAL.B 186 45.37 74.54 72.34 47.35 75.39 72.98 46.36 74.96 72.66 3 0 15.63 -999 ? C10 HXA B8136 >LYS^B 187 47.07 72.54 69.53 42.36 70.62 66.95 44.72 71.58 68.24 2 0 10.29 -999 ? ZN ZN B6016 >VAL^B 188 50.58 71.33 70.45 51.15 71.78 72.54 50.87 71.56 71.50 3 0 11.42 -999 ? C10 HXA B8136 >VAL^B 189 53.12 69.11 68.69 53.29 68.77 66.51 53.21 68.94 67.60 3 0 10.83 -999 ? C10 HXA B8136 >MET?B 190 55.81 67.36 70.79 53.33 67.51 74.21 54.57 67.44 72.50 2 0 6.96 -999 ? C10 HXA B8136 >ALA^B 191 58.69 65.01 70.05 60.03 65.44 69.43 59.36 65.23 69.74 2 0 10.19 -999 ? C11 HXA B8136 >LEU^B 192 58.33 60.72 72.36 58.10 59.47 74.23 58.21 60.09 73.30 3 0 5.31 -999 ? C11 HXA B8136 >LYS^B 193 62.81 62.48 72.93 67.37 63.41 69.90 65.09 62.94 71.41 2 0 15.01 -999 ? ZN ZN B6014 >ASN.B 194 65.75 61.96 76.29 67.24 62.58 74.83 66.49 62.27 75.56 2 0 14.66 -999 ? C11 HXA B8136 >ASP.B 195 63.33 61.20 80.31 64.29 63.10 80.63 63.81 62.15 80.47 2 0 -13.49 -999 ? C9 HXA B8136s >GLU^B 196 62.00 65.97 78.64 63.75 67.00 78.17 62.87 66.49 78.41 2 0 -13.59 -999 ? C10 HXA B8136s >LEU^B 197 56.31 65.28 75.82 55.05 63.55 75.42 55.68 64.42 75.62 3 0 5.18 -999 ? C10 HXA B8136 >LYS^B 198 59.69 68.19 73.81 65.00 70.00 70.83 62.34 69.10 72.32 2 0 16.18 -999 ? C10 HXA B8136 >THR^B 199 57.34 70.99 72.70 55.92 72.24 73.74 56.63 71.61 73.22 2 0 12.17 -999 ? C10 HXA B8136 >LEU^B 200 58.11 70.79 67.96 59.47 69.08 67.95 58.79 69.93 67.96 3 0 13.08 -999 ? C10 HXA B8136 >VAL^B 201 55.02 74.07 67.94 54.80 73.33 65.84 54.91 73.70 66.89 3 0 15.34 -999 ? C10 HXA B8136 >LYS^B 202 51.85 75.39 69.59 54.20 77.98 73.19 53.03 76.68 71.39 2 0 17.50 -999 ? C10 HXA B8136 >GLY^B 203 48.89 77.00 67.85 48.57 76.42 68.32 48.73 76.71 68.09 1 0 17.73 -999 ? C17 HXA B8136 >ARG.B 204 44.59 80.74 67.75 42.79 80.54 70.24 43.69 80.64 68.99 2 0 18.94 -999 ? ZN ZN B6016 >GLY.B 205 43.42 74.96 64.26 44.08 74.65 64.69 43.75 74.81 64.48 1 0 14.92 -999 ? ZN ZN B6016 >ASN~B 206 43.33 70.63 62.11 42.09 69.56 63.49 42.71 70.10 62.80 2 0 10.57 -999 ? ZN ZN B6016 >LYS~B 207 46.50 73.72 60.49 44.43 75.81 55.50 45.46 74.77 57.99 2 0 20.39 -999 ? ZN ZN B6016 >THR~B 208 49.12 73.71 63.28 49.20 74.25 65.38 49.16 73.98 64.33 2 0 15.56 -999 ? C17 HXA B8136 >PHE~B 209 47.85 69.06 64.36 46.90 69.09 67.02 47.37 69.08 65.69 3 0 10.47 -999 ? C17 HXA B8136 >THR~B 210 49.58 70.03 58.80 47.59 70.37 58.08 48.58 70.20 58.44 2 0 16.01 -999 ? C17 HXA B8136 >LYS~B 211 52.01 72.97 58.64 51.92 77.78 59.65 51.97 75.38 59.14 2 0 21.43 -999 ? C17 HXA B8136 >TRP~B 212 56.22 69.95 63.37 55.19 66.19 62.85 55.71 68.07 63.11 3 0 13.09 -999 ? C15 HXA B8136 >LEU~B 213 52.80 67.00 58.89 52.78 64.86 58.32 52.79 65.93 58.61 3 0 13.95 -999 ? C16 HXA B8136 >ASP~B 214 53.87 70.81 55.30 52.12 70.12 54.33 52.99 70.47 54.81 2 0 16.66 -999 ? O1 GOL B2649 >SER~B 215 57.85 71.34 57.24 57.99 71.83 59.60 57.92 71.58 58.42 2 0 15.00 -999 ? ZN ZN B6014 >TYR~B 216 59.14 65.93 60.17 60.65 63.67 60.80 59.90 64.80 60.49 3 0 11.69 -999 ? ZN ZN B6014 >LEU~B 217 57.38 65.70 54.86 56.03 64.07 55.37 56.70 64.88 55.11 3 0 11.28 -999 ? C1 GOL B2649 >ALA~B 218 60.25 68.86 53.39 59.75 70.31 53.28 60.00 69.59 53.33 2 0 12.22 -999 ? ZN ZN B6014 >LYS~B 219 63.31 68.90 55.66 61.86 73.61 58.68 62.58 71.25 57.17 2 0 12.90 -999 ? ZN ZN B6014 >ASN~B 220 63.11 64.78 57.68 63.86 66.00 59.26 63.49 65.39 58.47 2 0 7.77 -999 ? ZN ZN B6014 >SER~B 221 62.18 62.94 53.60 60.84 64.24 52.03 61.51 63.59 52.82 2 0 8.67 -999 ? O2 GOL B2649 >HIS.B 222 67.10 64.63 52.60 67.99 65.11 54.43 67.55 64.87 53.52 3 0 -3.28 -999 ? ZN ZN B6014s >ARG.B 223 67.75 59.96 57.76 68.51 58.66 60.41 68.13 59.31 59.08 2 0 8.03 -999 ? ZN ZN B6014 >PRO.B 224 66.81 57.09 51.42 65.44 57.84 53.05 66.12 57.46 52.23 3 0 5.65 -999 ? O2 GOL B2649 >ILE^B 225 60.89 57.06 55.33 60.02 57.94 55.84 60.45 57.50 55.58 3 0 5.81 -999 ? O2 GOL B2649 >ALA^B 226 61.87 52.54 55.90 62.72 51.74 56.85 62.30 52.14 56.37 2 0 7.97 -999 ? ZN ZN A6008 >GLU^B 227 57.35 51.22 59.15 57.45 49.36 60.09 57.40 50.29 59.62 2 0 -1.98 -999 ? ZN ZN A6008s >ILE^B 228 56.01 56.78 57.78 55.60 57.97 57.25 55.81 57.37 57.52 3 0 9.11 -999 ? C1 GOL B2649 >ALA^B 229 52.86 55.00 60.85 53.03 53.86 61.87 52.95 54.43 61.36 2 0 7.68 -999 ? ZN ZN A6008 >ILE^B 230 49.26 58.06 61.23 48.92 59.19 60.46 49.09 58.63 60.85 3 0 8.79 -999 ? C16 HXA B8136 >SER^B 231 47.81 56.53 65.26 48.94 54.60 66.15 48.37 55.57 65.70 2 0 5.21 -999 ? C16 HXA B8136 >TYR^B 232 43.11 57.98 64.79 41.40 55.94 63.97 42.25 56.96 64.38 3 0 7.86 -999 ? C17 HXA B8136 >ALA^B 233 42.64 59.18 69.46 43.23 59.57 70.83 42.94 59.38 70.14 2 0 4.31 -999 ? C17 HXA B8136 >GLY.B 234 39.15 60.30 68.48 39.49 59.63 68.08 39.32 59.96 68.28 1 0 4.53 -999 ? ZN ZN B6016 >GLU.B 235 35.43 60.97 65.18 35.47 61.81 67.16 35.45 61.39 66.17 2 0 -2.05 -999 ? ZN ZN B6016s >ALA~B 236 40.12 59.13 62.06 39.89 57.81 61.29 40.00 58.47 61.67 2 0 10.09 -999 ? ZN ZN B6016 >SER~B 237 39.59 62.11 59.73 38.31 63.97 60.65 38.95 63.04 60.19 2 0 8.59 -999 ? ZN ZN B6016 >LEU~B 238 42.90 64.72 62.34 44.50 66.16 62.88 43.70 65.44 62.61 3 0 10.05 -999 ? C17 HXA B8136 >ALA~B 239 44.97 61.05 60.74 44.81 59.75 61.49 44.89 60.40 61.12 2 0 8.68 -999 ? C17 HXA B8136 >LEU~B 240 42.29 59.85 56.87 41.53 57.79 57.01 41.91 58.82 56.94 3 0 13.97 -999 ? C17 HXA B8136 >THR~B 241 44.35 63.95 56.24 43.35 65.86 56.54 43.85 64.91 56.39 2 0 14.73 -999 ? ZN ZN B6016 >LEU~B 242 48.29 63.34 59.07 48.37 64.90 60.56 48.33 64.12 59.82 3 0 11.04 -999 ? C17 HXA B8136 >LYS~B 243 48.26 60.30 55.73 46.35 54.50 54.19 47.30 57.40 54.96 2 0 10.47 -999 ? ZN ZN A6005 >GLU~B 244 45.21 61.69 51.37 45.45 61.72 49.26 45.33 61.71 50.32 2 0 14.67 -999 ? O1 GOL B2649 >ARG~B 245 49.76 67.87 55.16 47.84 69.80 53.74 48.80 68.84 54.45 2 0 18.41 -999 ? O1 GOL B2649 >ILE~B 246 52.72 60.92 55.02 53.13 60.29 56.17 52.92 60.60 55.59 3 0 10.13 -999 ? C1 GOL B2649 >ALA~B 247 51.71 60.22 50.68 50.28 59.78 50.37 50.99 60.00 50.52 2 0 9.68 -999 ? C1 GOL B2649 >ALA.B 248 53.01 63.13 48.57 52.69 64.58 48.82 52.85 63.85 48.69 2 0 10.41 -999 ? O1 GOL B2649 >TYR.B 249 56.94 64.62 51.20 56.98 67.40 51.21 56.96 66.01 51.20 3 0 10.37 -999 ? O1 GOL B2649 >TYR.B 250 56.69 57.15 52.58 57.13 54.55 53.52 56.91 55.85 53.05 3 0 4.39 -999 ? C1 GOL B2649 >ASN.B 251 55.04 56.24 46.85 56.25 54.68 46.04 55.64 55.46 46.45 2 0 -3.80 -999 ? O1 GOL B2649s >HIS.B 252 56.82 51.63 50.08 58.02 50.78 48.58 57.42 51.21 49.33 3 0 3.37 -999 ? O3 GOL B2649s >SER.B 253 51.93 51.61 52.73 50.44 49.84 53.42 51.18 50.72 53.07 2 0 7.70 -999 ? ZN ZN A6005 >ILE.B 254 50.89 55.27 55.66 51.14 56.54 55.48 51.02 55.91 55.57 3 0 10.18 -999 ? C1 GOL B2649 >SER^B 255 49.64 51.96 58.87 49.62 50.50 60.86 49.63 51.23 59.86 2 0 4.09 -999 ? ZN ZN A6005 >VAL^B 256 46.85 54.17 60.31 46.12 56.02 59.30 46.48 55.09 59.81 3 0 9.08 -999 ? ZN ZN A6005 >LEU^B 257 46.33 51.60 64.12 46.74 49.61 63.24 46.53 50.61 63.68 3 0 6.04 -999 ? ZN ZN A6005 >GLU^B 258 41.28 54.32 68.00 39.39 53.60 68.71 40.33 53.96 68.36 2 0 9.97 -999 ? C17 HXA B8136 >THR.B 259 45.56 54.08 69.57 46.37 55.63 70.87 45.96 54.85 70.22 2 0 3.81 -999 ? C16 HXA B8136 >GLY~B 260 44.80 51.97 72.71 44.89 52.80 72.75 44.85 52.39 72.73 1 0 8.13 -999 ? C16 HXA B8136 >SER~B 261 42.87 52.97 75.86 42.73 51.25 77.59 42.80 52.11 76.72 2 0 9.22 -999 ? C2 HXA B8136 >ILE~B 262 47.25 52.59 78.01 47.28 52.28 79.42 47.26 52.43 78.72 3 0 -4.77 -999 ? C2 HXA B8136s >ILE~B 263 47.90 56.03 74.00 49.19 56.37 74.18 48.55 56.20 74.09 3 0 -4.31 -999 ? C12 HXA B8136s >GLN~B 264 42.56 56.36 73.00 40.71 55.43 72.46 41.63 55.90 72.73 2 0 8.25 -999 ? C17 HXA B8136 >THR~B 265 43.28 58.32 78.56 42.94 57.00 80.26 43.11 57.66 79.41 2 0 4.92 -999 ? O1 GOL B2648 >HIS~B 266 47.83 59.05 80.26 47.91 58.22 82.19 47.87 58.64 81.23 3 0 3.67 -999 ? C5 HXA B8136s >THR~B 267 46.11 62.33 75.36 46.70 61.00 73.73 46.41 61.67 74.55 2 0 4.31 -999 ? C17 HXA B8136 >GLY~B 268 42.37 62.90 75.06 42.90 62.55 74.50 42.63 62.72 74.78 1 0 8.08 -999 ? C17 HXA B8136 >GLU.B 269 38.15 62.77 70.44 36.07 62.52 70.79 37.11 62.65 70.62 2 0 -2.16 -999 ? ZN ZN B6016s >GLY.B 270 41.86 64.94 68.80 42.29 64.42 69.27 42.08 64.68 69.04 1 0 6.54 -999 ? ZN ZN B6016 >ALA^B 271 45.35 63.53 69.24 45.78 63.06 70.61 45.57 63.29 69.93 2 0 4.06 -999 ? C17 HXA B8136 >PHE^B 272 48.27 63.49 65.09 49.85 65.78 64.70 49.06 64.63 64.90 3 0 7.32 -999 ? C17 HXA B8136 >ALA^B 273 51.14 60.49 66.43 51.71 59.55 67.48 51.42 60.02 66.96 2 0 -3.54 -999 ? C14 HXA B8136s >VAL^B 274 53.42 60.28 63.41 53.41 61.47 61.56 53.41 60.87 62.49 3 0 8.92 -999 ? C14 HXA B8136 >MET?B 275 56.04 57.60 63.92 53.54 55.95 66.86 54.79 56.78 65.39 2 0 4.94 -999 ? C14 HXA B8136 >VAL^B 276 58.95 57.33 61.47 59.23 59.16 60.22 59.09 58.25 60.85 3 0 11.00 -999 ? ZN ZN A6008 >ARG^B 277 62.29 50.96 61.70 62.25 49.21 59.15 62.27 50.08 60.43 2 0 5.67 -999 ? ZN ZN A6008 >TYR^B 278 64.80 58.08 59.02 63.43 60.50 59.00 64.12 59.29 59.01 3 0 8.96 -999 ? ZN ZN B6014 >GLU.B 279 65.63 52.85 54.33 65.20 50.78 54.20 65.42 51.81 54.26 2 0 7.60 -999 ? O3 GOL B2649