REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-NOV-06 2NS9 COMPND HYPOTHETICAL PROTEIN APE2225; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; SOURCE 3 ORGANISM_TAXID: 56636; SOURCE 4 GENE: APE2225; 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: PSGX4 AUTHOR X.JIN,A.BERA,S.WASSERMAN,D.SMITH,J.M.SAUDER,S.K.BURLEY,L.SHAPIRO,NEW AUTHOR 2 YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET PO4 A 157 5 HET PO4 B 157 5 SITE 1 AC1 6 LEU A 65 ARG A 66 GLY A 92 ALA A 93 SITE 1 AC2 4 GLY B 92 ALA B 93 GLY B 94 SER B 95 >ALA.A 5 70.17 -7.02 34.57 69.70 -5.55 34.73 69.94 -6.28 34.65 2 0 23.17 -999 ? O1 PO4 A 157 >GLY^A 6 69.29 -7.92 30.93 68.59 -7.70 31.39 68.94 -7.81 31.16 1 0 20.59 -999 ? O4 PO4 B 157 >VAL^A 7 66.39 -6.47 28.87 66.26 -4.56 30.02 66.33 -5.51 29.44 3 0 17.73 -999 ? O1 PO4 A 157 >TRP^A 8 63.72 -9.23 24.34 65.27 -11.31 27.29 64.50 -10.27 25.82 3 0 14.52 -999 ? O1 PO4 A 157 >GLY^A 9 62.68 -4.81 22.71 63.47 -5.05 22.35 63.07 -4.93 22.53 1 0 12.86 -999 ? O1 PO4 A 157 >LEU^A 10 61.24 -5.85 18.30 61.41 -8.02 18.23 61.33 -6.94 18.26 3 0 11.69 -999 ? O1 PO4 A 157 >LYS^A 11 62.81 -2.22 16.28 67.57 -0.59 14.42 65.19 -1.40 15.35 2 0 15.92 -999 ? O4 PO4 B 157 >VAL^A 12 61.09 -2.65 12.95 58.87 -3.01 12.83 59.98 -2.83 12.89 3 0 14.61 -999 ? O1 PO4 A 157 >ARG^A 13 63.52 1.44 7.49 63.43 4.17 6.04 63.48 2.80 6.77 2 0 23.02 -999 ? O4 PO4 B 157 >TYR^A 14 57.62 -3.85 7.34 57.86 -6.45 8.35 57.74 -5.15 7.85 3 0 16.51 -999 ? O1 PO4 A 157 >GLU^A 15 61.25 0.11 2.72 62.93 1.37 3.19 62.09 0.74 2.96 2 0 22.04 -999 ? O1 PO4 B 157 >GLY^A 16 56.86 -0.57 0.01 56.72 0.24 0.23 56.79 -0.17 0.12 1 0 24.55 -999 ? O1 PO4 A 157 >SER^A 17 54.50 0.79 -2.56 55.91 0.82 -4.51 55.21 0.80 -3.53 2 0 28.84 -999 ? O2 PO4 A 157 >PHE^A 18 49.62 -0.09 -2.38 48.28 1.54 -0.49 48.95 0.72 -1.44 3 0 25.07 -999 ? O2 PO4 A 157 >GLU^A 19 51.01 1.31 -8.84 51.47 1.22 -10.88 51.24 1.26 -9.86 2 0 34.38 -999 ? O2 PO4 A 157 >VAL^A 20 45.48 1.99 -7.38 45.20 2.81 -5.36 45.34 2.40 -6.37 3 0 30.52 -999 ? O2 PO4 A 157 >SER.A 21 43.26 3.17 -10.23 40.90 2.58 -10.05 42.08 2.87 -10.14 2 0 34.84 -999 ? O2 PO4 A 157 >LYS.A 22 41.97 6.20 -8.37 37.45 5.13 -5.84 39.71 5.66 -7.11 2 0 32.88 -999 ? O2 PO4 A 157 >THR~A 23 43.30 9.73 -8.77 41.57 10.94 -9.36 42.43 10.34 -9.07 2 0 37.24 -999 ? O2 PO4 A 157 >PRO~A 24 47.34 11.31 -8.06 45.50 10.87 -6.91 46.42 11.09 -7.49 3 0 35.02 -999 ? O2 PO4 A 157 >GLU~A 25 41.17 14.14 -6.53 40.11 15.70 -7.57 40.64 14.92 -7.05 2 0 38.62 -999 ? O2 PO4 A 157 >GLU~A 26 39.06 10.39 -6.27 38.93 9.59 -8.28 38.99 9.99 -7.27 2 0 36.33 -999 ? O2 PO4 A 157 >VAL~A 27 43.38 8.36 -2.73 44.79 6.90 -3.57 44.09 7.63 -3.15 3 0 29.85 -999 ? O2 PO4 A 157 >PHE~A 28 46.24 13.06 0.16 47.67 14.28 2.20 46.96 13.67 1.18 3 0 29.64 -999 ? O2 PO4 A 157 >GLU~A 29 38.80 12.65 0.65 38.85 14.23 2.10 38.82 13.44 1.37 2 0 31.06 -999 ? O2 PO4 A 157 >PHE~A 30 40.46 5.85 1.31 40.08 3.33 2.50 40.27 4.59 1.90 3 0 25.14 -999 ? O2 PO4 A 157 >LEU~A 31 45.32 7.61 2.65 46.03 5.81 1.65 45.68 6.71 2.15 3 0 24.67 -999 ? O2 PO4 A 157 >THR~A 32 43.49 10.96 5.47 44.42 12.47 4.29 43.96 11.71 4.88 2 0 26.94 -999 ? O2 PO4 A 157 >ASP~A 33 38.77 10.20 5.47 36.76 10.29 6.28 37.76 10.25 5.88 2 0 26.62 -999 ? O2 PO4 A 157 >PRO~A 34 41.25 9.47 10.71 40.09 8.36 9.15 40.67 8.92 9.93 3 0 21.85 -999 ? O2 PO4 A 157 >LYS~A 35 36.36 6.97 9.41 30.66 9.07 9.51 33.51 8.02 9.46 2 0 27.62 -999 ? O2 PO4 A 157 >ARG~A 36 36.11 8.38 3.23 36.88 8.41 0.25 36.49 8.39 1.74 2 0 29.61 -999 ? O2 PO4 A 157 >PHE~A 37 42.34 5.47 7.09 43.53 6.96 9.12 42.94 6.22 8.10 3 0 20.38 -999 ? O2 PO4 A 157 >SER~A 38 39.73 2.33 9.48 37.69 3.16 10.46 38.71 2.74 9.97 2 0 19.37 -999 ? O2 PO4 A 157 >ARG~A 39 34.41 0.43 8.53 31.85 0.80 10.23 33.13 0.61 9.38 2 0 22.34 -999 ? O3 PO4 A 157 >ALA~A 40 40.49 -1.31 5.60 41.55 -0.43 4.91 41.02 -0.87 5.25 2 0 20.18 -999 ? O2 PO4 A 157 >PHE~A 41 43.26 -1.27 10.03 45.46 0.44 9.82 44.36 -0.41 9.93 3 0 14.88 -999 ? O2 PO4 A 157 >PRO.A 42 43.43 -6.89 9.44 41.44 -5.89 9.24 42.43 -6.39 9.34 3 0 14.15 -999 ? O3 PO4 A 157 >GLY.A 43 39.09 -6.99 12.57 39.11 -6.30 12.14 39.10 -6.65 12.36 1 0 13.20 -999 ? O3 PO4 A 157 >PHE^A 44 36.73 -1.31 11.79 35.40 1.03 12.49 36.06 -0.14 12.14 3 0 17.92 -999 ? O3 PO4 A 157 >LYS^A 45 35.71 -2.71 15.70 36.11 -6.98 19.78 35.91 -4.85 17.74 2 0 12.32 -999 ? O3 PO4 A 157 >SER^A 46 35.43 1.10 16.08 35.81 1.35 18.50 35.62 1.22 17.29 2 0 16.15 -999 ? O2 PO4 A 157 >VAL^A 47 37.05 4.45 15.35 37.29 5.33 13.32 37.17 4.89 14.34 3 0 18.63 -999 ? O2 PO4 A 157 >GLU^A 48 36.53 6.81 19.48 37.70 5.99 21.08 37.12 6.40 20.28 2 0 17.25 -999 ? O2 PO4 A 157 >VAL^A 49 38.22 10.98 15.19 38.19 10.72 13.00 38.21 10.85 14.09 3 0 22.43 -999 ? O2 PO4 A 157 >GLU^A 50 38.31 16.42 18.13 37.26 16.79 19.95 37.79 16.60 19.04 2 0 26.58 -999 ? O2 PO4 A 157 >ASP.A 51 41.74 17.85 17.11 40.44 19.29 17.98 41.09 18.57 17.54 2 0 27.91 -999 ? O2 PO4 A 157 >GLY.A 52 43.45 15.34 13.15 43.18 15.04 13.85 43.31 15.19 13.50 1 0 24.73 -999 ? O2 PO4 A 157 >SER^A 53 43.87 12.53 15.68 45.38 13.84 17.08 44.63 13.18 16.38 2 0 21.71 -999 ? O2 PO4 A 157 >PHE^A 54 43.12 8.28 13.68 45.42 7.25 12.43 44.27 7.76 13.05 3 0 18.05 -999 ? O2 PO4 A 157 >THR^A 55 41.87 5.95 17.78 42.05 5.92 19.93 41.96 5.94 18.85 2 0 14.83 -999 ? O2 PO4 A 157 >ILE^A 56 41.66 2.27 14.75 41.67 2.14 13.32 41.67 2.20 14.04 3 0 14.45 -999 ? O2 PO4 A 157 >GLU^A 57 38.99 0.66 20.13 39.43 -0.08 22.05 39.21 0.29 21.09 2 0 11.85 -999 ? O2 PO4 A 157 >LEU^A 58 42.03 -3.80 15.63 42.57 -2.86 13.89 42.30 -3.33 14.76 3 0 10.89 -999 ? O2 PO4 A 157 >ARG^A 59 39.58 -9.96 18.66 38.48 -11.65 20.94 39.03 -10.81 19.80 2 0 9.97 -999 ? O3 PO4 A 157 >LEU^A 60 44.95 -8.81 17.05 46.21 -7.18 17.04 45.58 -8.00 17.04 3 0 5.69 -999 ? O3 PO4 A 157 >SER^A 61 43.81 -12.56 14.66 42.69 -12.23 12.51 43.25 -12.39 13.59 2 0 11.40 -999 ? O3 PO4 A 157 >LEU.A 62 47.88 -11.04 13.98 48.73 -10.01 12.42 48.30 -10.52 13.20 3 0 8.99 -999 ? O3 PO4 A 157 >GLY.A 63 47.83 -14.59 16.23 48.62 -15.00 15.97 48.22 -14.80 16.10 1 0 8.05 -999 ? O3 PO4 A 157 >PRO.A 64 51.66 -16.06 16.96 49.64 -16.11 17.93 50.65 -16.08 17.45 3 0 8.62 -999 ? O1 PO4 A 157 >LEU.A 65 49.76 -11.24 18.16 51.70 -10.60 18.88 50.73 -10.92 18.52 3 0 -4.21 -999 ? O1 PO4 A 157s >ARG^A 66 44.86 -15.97 20.06 42.42 -17.78 20.54 43.64 -16.88 20.30 2 0 -10.50 -999 ? O3 PO4 A 157s >GLY^A 67 42.49 -10.25 21.09 42.86 -9.85 20.44 42.67 -10.05 20.77 1 0 5.76 -999 ? O3 PO4 A 157 >ASP^A 68 40.46 -6.06 22.36 38.55 -7.03 22.21 39.50 -6.55 22.29 2 0 9.70 -999 ? O3 PO4 A 157 >ALA^A 69 44.00 -3.89 20.50 45.07 -4.36 19.48 44.53 -4.12 19.99 2 0 5.63 -999 ? O2 PO4 A 157 >ARG^A 70 42.00 2.13 22.76 40.27 4.58 23.37 41.14 3.35 23.07 2 0 14.50 -999 ? O2 PO4 A 157 >VAL^A 71 45.88 2.25 18.03 46.88 1.63 16.21 46.38 1.94 17.12 3 0 10.65 -999 ? O2 PO4 A 157 >ARG^A 72 45.61 7.66 22.47 44.33 6.13 24.82 44.97 6.90 23.65 2 0 14.04 -999 ? O2 PO4 A 157 >ALA^A 73 47.57 8.24 16.32 47.88 7.34 15.12 47.72 7.79 15.72 2 0 16.02 -999 ? O2 PO4 A 157 >SER^A 74 47.87 11.78 14.93 47.81 12.65 17.21 47.84 12.22 16.07 2 0 20.24 -999 ? O2 PO4 A 157 >PHE^A 75 47.01 12.56 9.71 45.87 10.38 8.31 46.44 11.47 9.01 3 0 22.89 -999 ? O2 PO4 A 157 >GLU^A 76 52.84 14.37 13.46 54.61 14.61 14.60 53.73 14.49 14.03 2 0 23.50 -999 ? O2 PO4 A 157 >ASP^A 77 53.97 15.52 7.11 54.41 16.43 5.24 54.19 15.97 6.17 2 0 29.43 -999 ? O2 PO4 A 157 >LEU^A 78 48.49 16.76 6.67 46.51 15.91 6.70 47.50 16.33 6.68 3 0 28.09 -999 ? O2 PO4 A 157 >GLU^A 79 52.57 18.73 2.83 54.05 19.97 1.97 53.31 19.35 2.40 2 0 34.10 -999 ? O2 PO4 A 157 >LYS.A 80 47.29 17.39 -0.17 43.88 18.64 3.36 45.59 18.02 1.60 2 0 32.28 -999 ? O2 PO4 A 157 >PRO.A 81 47.37 16.07 -4.67 47.55 16.10 -2.44 47.46 16.09 -3.55 3 0 34.72 -999 ? O2 PO4 A 157 >SER.A 82 50.86 14.06 -2.04 52.34 15.96 -1.85 51.60 15.01 -1.94 2 0 33.49 -999 ? O2 PO4 A 157 >LYS^A 83 52.28 13.37 1.46 57.63 16.33 2.10 54.95 14.85 1.78 2 0 32.00 -999 ? O2 PO4 A 157 >ALA^A 84 51.35 12.55 5.05 49.91 12.04 5.13 50.63 12.30 5.09 2 0 25.65 -999 ? O2 PO4 A 157 >THR^A 85 52.89 11.36 8.27 54.91 11.67 8.91 53.90 11.52 8.59 2 0 23.67 -999 ? O2 PO4 A 157 >VAL^A 86 51.11 9.58 11.11 49.22 8.45 10.80 50.17 9.01 10.95 3 0 19.63 -999 ? O2 PO4 A 157 >LYS^A 87 52.62 9.11 14.58 57.33 11.48 13.11 54.97 10.29 13.84 2 0 22.14 -999 ? O2 PO4 A 157 >GLY^A 88 51.06 6.93 17.22 51.78 6.58 17.08 51.42 6.76 17.15 1 0 14.87 -999 ? O2 PO4 A 157 >SER^A 89 51.08 3.94 19.49 49.98 4.73 21.50 50.53 4.33 20.50 2 0 11.65 -999 ? O2 PO4 A 157 >GLY^A 90 49.35 0.57 19.59 49.93 0.74 20.26 49.64 0.66 19.93 1 0 7.96 -999 ? O2 PO4 A 157 >ARG^A 91 49.96 -0.84 25.47 49.64 0.18 28.37 49.80 -0.33 26.92 2 0 9.20 -999 ? O2 PO4 A 157 >GLY.A 92 47.14 -5.07 23.00 47.59 -4.71 23.59 47.37 -4.89 23.29 1 0 -2.73 -999 ? O2 PO4 A 157s >ALA.A 93 46.67 -7.21 26.12 45.97 -8.57 26.16 46.32 -7.89 26.14 2 0 -3.72 -999 ? O4 PO4 A 157s >GLY.A 94 50.43 -7.47 26.65 50.35 -7.07 25.95 50.39 -7.27 26.30 1 0 -2.97 -999 ? O4 PO4 A 157s >SER^A 95 52.32 -5.71 23.88 52.89 -7.80 22.81 52.61 -6.75 23.34 2 0 -2.69 -999 ? O1 PO4 A 157s >THR^A 96 53.16 -2.12 22.90 54.31 -1.60 24.70 53.73 -1.86 23.80 2 0 7.70 -999 ? O2 PO4 A 157 >LEU^A 97 53.12 -0.95 18.39 53.66 -0.87 16.26 53.39 -0.91 17.32 3 0 8.93 -999 ? O2 PO4 A 157 >ASP^A 98 56.16 3.73 19.90 55.65 3.62 21.92 55.91 3.68 20.91 2 0 12.34 -999 ? O2 PO4 A 157 >PHE^A 99 53.01 3.41 14.45 50.39 4.36 14.14 51.70 3.88 14.30 3 0 13.73 -999 ? O2 PO4 A 157 >THR^A 100 55.74 6.48 12.60 57.08 8.16 12.67 56.41 7.32 12.64 2 0 19.60 -999 ? O2 PO4 A 157 >LEU^A 101 52.68 5.28 9.17 51.79 4.13 7.51 52.24 4.70 8.34 3 0 18.51 -999 ? O2 PO4 A 157 >ARG^A 102 58.30 10.12 7.32 59.34 10.67 10.18 58.82 10.40 8.75 2 0 23.70 -999 ? O2 PO4 A 157 >PHE^A 103 50.79 7.74 3.39 48.51 9.01 4.35 49.65 8.38 3.87 3 0 24.04 -999 ? O2 PO4 A 157 >ALA^A 104 53.35 9.62 -0.49 54.73 9.73 -1.09 54.04 9.68 -0.79 2 0 29.34 -999 ? O2 PO4 A 157 >VAL^A 105 50.76 9.55 -3.26 48.59 9.24 -2.83 49.67 9.40 -3.04 3 0 30.25 -999 ? O2 PO4 A 157 >GLU^A 106 54.46 9.92 -5.95 56.33 8.98 -6.45 55.39 9.45 -6.20 2 0 33.74 -999 ? O2 PO4 A 157 >PRO^A 107 50.31 12.73 -10.20 50.57 10.56 -9.67 50.44 11.64 -9.94 3 0 37.33 -999 ? O2 PO4 A 157 >SER^A 108 50.93 7.02 -12.07 52.07 4.91 -11.47 51.50 5.96 -11.77 2 0 36.03 -999 ? O2 PO4 A 157 >GLY.A 109 49.36 6.80 -15.55 49.06 7.13 -14.86 49.21 6.97 -15.21 1 0 40.39 -999 ? O2 PO4 A 157 >GLY.A 110 46.28 8.75 -14.35 46.71 8.17 -13.92 46.50 8.46 -14.13 1 0 40.08 -999 ? O2 PO4 A 157 >GLY^A 111 46.19 6.21 -11.50 46.74 6.86 -11.62 46.47 6.53 -11.56 1 0 36.51 -999 ? O2 PO4 A 157 >SER^A 112 48.14 6.61 -8.20 46.50 8.15 -7.27 47.32 7.38 -7.73 2 0 33.41 -999 ? O2 PO4 A 157 >ARG^A 113 54.75 3.57 -6.98 54.43 0.77 -8.21 54.59 2.17 -7.59 2 0 32.05 -999 ? O2 PO4 A 157 >VAL^A 114 51.14 5.02 -2.84 49.38 4.98 -1.51 50.26 5.00 -2.18 3 0 27.36 -999 ? O2 PO4 A 157 >SER^A 115 54.65 4.73 -1.38 55.75 5.32 -3.49 55.20 5.02 -2.43 2 0 29.42 -999 ? O2 PO4 A 157 >TRP^A 116 53.16 1.49 1.31 54.58 -0.94 4.05 53.87 0.28 2.68 3 0 21.55 -999 ? O2 PO4 A 157 >VAL^A 117 57.61 3.56 5.22 59.64 4.40 5.01 58.63 3.98 5.11 3 0 22.55 -999 ? O2 PO4 A 157 >PHE^A 118 55.22 0.73 10.05 54.26 0.04 12.60 54.74 0.38 11.33 3 0 14.41 -999 ? O2 PO4 A 157 >GLU^A 119 61.04 3.49 10.27 62.91 4.37 10.60 61.97 3.93 10.43 2 0 21.36 -999 ? O2 PO4 A 157 >GLY^A 120 58.33 1.14 15.00 59.09 0.94 14.86 58.71 1.04 14.93 1 0 14.28 -999 ? O2 PO4 A 157 >ASN^A 121 59.96 0.94 19.42 61.48 2.18 18.64 60.72 1.56 19.03 2 0 15.76 -999 ? O2 PO4 A 157 >VAL^A 122 57.73 -3.09 19.92 56.77 -4.61 18.60 57.25 -3.85 19.26 3 0 8.92 -999 ? O1 PO4 A 157 >GLY^A 123 57.79 -3.92 23.62 57.10 -4.19 23.24 57.44 -4.06 23.43 1 0 8.93 -999 ? O1 PO4 A 157 >GLY^A 124 56.12 -6.30 26.02 56.63 -6.60 25.42 56.37 -6.45 25.72 1 0 7.27 -999 ? O1 PO4 A 157 >LEU.A 125 53.51 -10.33 25.23 52.70 -11.50 26.85 53.10 -10.91 26.04 3 0 4.92 -999 ? O4 PO4 A 157 >ALA~A 126 55.70 -9.55 21.48 54.99 -8.59 20.57 55.34 -9.07 21.03 2 0 4.79 -999 ? O1 PO4 A 157 >ALA~A 127 59.37 -8.50 21.99 59.85 -7.46 22.99 59.61 -7.98 22.49 2 0 9.49 -999 ? O1 PO4 A 157 >SER~A 128 60.20 -12.19 22.68 57.99 -12.92 23.26 59.09 -12.56 22.97 2 0 8.56 -999 ? O1 PO4 A 157 >MET~A 129 58.78 -13.65 19.46 54.76 -12.61 19.18 56.77 -13.13 19.32 2 0 6.41 -999 ? O1 PO4 A 157 >GLY~A 130 61.78 -12.94 17.22 60.99 -12.68 17.04 61.38 -12.81 17.13 1 0 12.97 -999 ? O1 PO4 A 157 >GLY~A 131 61.86 -11.45 13.77 61.71 -12.16 13.88 61.79 -11.81 13.83 1 0 13.25 -999 ? O2 PO4 B 157 >ARG~A 132 61.96 -18.07 10.58 62.30 -19.24 7.74 62.13 -18.65 9.16 2 0 13.66 -999 ? O2 PO4 B 157 >VAL~A 133 57.62 -14.90 13.41 56.78 -16.07 15.07 57.20 -15.49 14.24 3 0 12.32 -999 ? O1 PO4 A 157 >LEU~A 134 57.59 -10.20 14.68 56.54 -9.99 16.59 57.06 -10.09 15.63 3 0 9.37 -999 ? O1 PO4 A 157 >ASP~A 135 59.04 -10.96 9.29 58.88 -10.74 7.17 58.96 -10.85 8.23 2 0 16.99 -999 ? O2 PO4 B 157 >SER~A 136 55.15 -13.34 9.13 56.19 -15.51 9.15 55.67 -14.43 9.14 2 0 15.71 -999 ? O1 PO4 A 157 >LEU~A 137 52.57 -11.56 12.80 52.14 -13.45 13.89 52.36 -12.51 13.35 3 0 9.75 -999 ? O1 PO4 A 157 >ALA~A 138 53.45 -8.03 10.15 54.81 -7.37 10.36 54.13 -7.70 10.25 2 0 12.70 -999 ? O1 PO4 A 157 >ARG~A 139 56.43 -10.37 4.78 58.74 -8.49 4.02 57.59 -9.43 4.40 2 0 18.96 -999 ? O2 PO4 B 157 >ARG~A 140 49.35 -13.86 8.89 47.48 -15.20 10.89 48.41 -14.53 9.89 2 0 12.77 -999 ? O3 PO4 A 157 >MET~A 141 48.67 -7.17 8.61 46.60 -5.24 10.60 47.64 -6.21 9.60 2 0 12.17 -999 ? O3 PO4 A 157 >ILE~A 142 51.70 -5.13 5.46 52.94 -4.66 5.31 52.32 -4.89 5.39 3 0 17.38 -999 ? O1 PO4 A 157 >ASN~A 143 49.09 -8.74 2.77 50.96 -8.91 1.75 50.02 -8.83 2.26 2 0 20.47 -999 ? O1 PO4 A 157 >ASP~A 144 44.92 -7.79 6.18 44.73 -9.92 6.30 44.82 -8.85 6.24 2 0 16.14 -999 ? O3 PO4 A 157 >VAL~A 145 45.36 -3.45 5.10 46.08 -2.02 6.56 45.72 -2.74 5.83 3 0 17.47 -999 ? O2 PO4 A 157 >ILE~A 146 47.83 -3.18 0.95 49.07 -2.84 0.32 48.45 -3.01 0.64 3 0 22.17 -999 ? O2 PO4 A 157 >SER~A 147 43.78 -5.30 0.26 44.79 -7.41 -0.09 44.28 -6.36 0.09 2 0 22.46 -999 ? O3 PO4 A 157 >GLY~A 148 41.30 -3.42 2.48 41.82 -3.10 1.89 41.56 -3.26 2.18 1 0 21.47 -999 ? O3 PO4 A 157 >VAL~A 149 42.37 -0.11 1.00 44.08 1.25 1.23 43.22 0.57 1.12 3 0 23.36 -999 ? O2 PO4 A 157 >LYS~A 150 41.87 -1.46 -2.55 47.27 -3.94 -4.68 44.57 -2.70 -3.61 2 0 27.24 -999 ? O3 PO4 A 157 >ARG~A 151 36.65 -5.32 0.86 38.09 -4.65 3.48 37.37 -4.99 2.17 2 0 21.53 -999 ? O3 PO4 A 157 >GLU~A 152 37.51 -0.10 2.65 35.45 -0.45 3.08 36.48 -0.28 2.86 2 0 24.35 -999 ? O3 PO4 A 157 >LEU~A 153 39.80 2.67 -3.24 41.02 4.33 -2.48 40.41 3.50 -2.86 3 0 28.72 -999 ? O2 PO4 A 157 >GLY~A 154 36.39 -0.01 -5.20 37.21 0.05 -5.25 36.80 0.02 -5.22 1 0 30.99 -999 ? O3 PO4 A 157 >GLU.A 155 41.38 -0.26 -6.15 41.84 0.90 -7.83 41.61 0.32 -6.99 2 0 32.11 -999 ? O2 PO4 A 157 >ALA.A 156 39.58 -4.55 -9.23 39.05 -5.64 -8.22 39.32 -5.10 -8.72 2 0 31.77 -999 ? O3 PO4 A 157 >LEU.B 3 56.42 -3.65 -4.28 58.29 -2.37 -4.40 57.36 -3.01 -4.34 3 0 26.60 -999 ? O1 PO4 B 157 >HIS^B 4 54.89 -5.02 1.35 53.37 -6.47 1.40 54.13 -5.74 1.38 3 0 21.38 -999 ? O1 PO4 A 157 >ALA^B 5 60.01 -5.59 2.67 61.31 -5.63 1.94 60.66 -5.61 2.30 2 0 19.22 -999 ? O2 PO4 B 157 >GLY^B 6 60.89 -5.22 6.25 61.33 -5.80 5.93 61.11 -5.51 6.09 1 0 17.85 -999 ? O2 PO4 B 157 >VAL^B 7 63.56 -5.83 8.78 65.28 -4.90 7.81 64.42 -5.37 8.29 3 0 14.55 -999 ? O2 PO4 B 157 >TRP^B 8 60.75 -7.92 11.31 58.24 -6.60 14.03 59.49 -7.26 12.67 3 0 13.21 -999 ? O1 PO4 A 157 >GLY^B 9 66.26 -5.67 14.98 65.47 -5.77 15.31 65.87 -5.72 15.15 1 0 12.81 -999 ? O2 PO4 B 157 >LEU^B 10 66.99 -8.08 18.95 66.59 -8.92 20.91 66.79 -8.50 19.93 3 0 12.74 -999 ? O2 PO4 B 157 >LYS^B 11 67.64 -3.91 21.02 63.01 -0.42 21.02 65.32 -2.16 21.02 2 0 15.15 -999 ? O1 PO4 A 157 >VAL^B 12 69.37 -5.41 24.02 69.71 -7.55 23.60 69.54 -6.48 23.81 3 0 15.08 -999 ? O4 PO4 B 157 >ARG^B 13 70.00 -0.89 29.51 71.66 0.91 31.38 70.83 0.01 30.45 2 0 24.28 -999 ? O4 PO4 B 157 >TYR^B 14 73.06 -8.11 28.45 71.46 -9.90 27.04 72.26 -9.01 27.75 3 0 16.47 -999 ? O4 PO4 B 157 >GLU^B 15 73.23 -2.68 33.17 72.14 -1.63 34.64 72.69 -2.15 33.91 2 0 25.52 -999 ? O4 PO4 B 157 >GLY^B 16 77.04 -6.47 35.24 77.29 -5.70 35.17 77.17 -6.09 35.20 1 0 23.79 -999 ? O4 PO4 B 157 >SER^B 17 79.98 -6.36 37.53 79.15 -6.37 39.86 79.57 -6.36 38.70 2 0 28.38 -999 ? O4 PO4 B 157 >PHE^B 18 84.10 -8.88 36.13 85.43 -7.70 34.01 84.76 -8.29 35.07 3 0 24.55 -999 ? O4 PO4 B 157 >GLU^B 19 84.57 -8.13 42.80 84.37 -8.70 44.83 84.47 -8.42 43.82 2 0 33.58 -999 ? O4 PO4 B 157 >VAL.B 20 89.63 -8.63 39.78 90.27 -8.39 37.69 89.95 -8.51 38.73 3 0 29.84 -999 ? O4 PO4 B 157 >SER.B 21 92.70 -9.12 42.04 94.18 -10.74 41.06 93.44 -9.93 41.55 2 0 33.64 -999 ? O4 PO4 B 157 >LYS.B 22 94.52 -6.13 40.46 96.84 -9.95 39.02 95.68 -8.04 39.74 2 0 33.54 -999 ? O4 PO4 B 157 >THR~B 23 94.67 -2.32 40.95 96.76 -1.74 41.03 95.71 -2.03 40.99 2 0 36.86 -999 ? O4 PO4 B 157 >PRO~B 24 91.51 0.76 41.14 92.61 -0.38 39.55 92.06 0.19 40.34 3 0 34.67 -999 ? O4 PO4 B 157 >GLU~B 25 97.51 1.15 38.11 99.42 2.16 38.23 98.47 1.66 38.17 2 0 37.80 -999 ? O4 PO4 B 157 >GLU~B 26 97.27 -4.61 36.47 98.34 -5.74 37.93 97.81 -5.17 37.20 2 0 34.34 -999 ? O4 PO4 B 157 >VAL~B 27 92.78 -3.33 35.10 91.13 -4.24 36.22 91.95 -3.78 35.66 3 0 29.44 -999 ? O4 PO4 B 157 >PHE~B 28 91.59 2.37 32.89 90.55 4.35 31.22 91.07 3.36 32.06 3 0 29.62 -999 ? O4 PO4 B 157 >GLU~B 29 97.84 -0.43 30.66 99.81 -0.63 31.46 98.83 -0.53 31.06 2 0 32.63 -999 ? O4 PO4 B 157 >PHE~B 30 93.52 -6.42 30.53 92.54 -8.78 29.31 93.03 -7.60 29.92 3 0 24.66 -999 ? O4 PO4 B 157 >LEU~B 31 89.68 -2.71 30.37 88.44 -4.29 31.30 89.06 -3.50 30.83 3 0 24.33 -999 ? O4 PO4 B 157 >THR~B 32 91.99 -0.16 27.05 92.16 1.57 28.43 92.07 0.71 27.74 2 0 26.91 -999 ? O4 PO4 B 157 >ASP~B 33 95.87 -2.62 25.80 97.41 -3.04 24.47 96.64 -2.83 25.14 2 0 26.21 -999 ? O4 PO4 B 157 >PRO~B 34 92.37 -2.05 21.38 93.17 -3.62 22.74 92.77 -2.84 22.06 3 0 21.63 -999 ? O4 PO4 B 157 >LYS~B 35 96.00 -6.31 21.90 101.14 -3.53 20.70 98.57 -4.92 21.30 2 0 27.75 -999 ? O4 PO4 B 157 >ARG~B 36 97.93 -5.61 27.63 97.90 -5.54 30.70 97.92 -5.58 29.17 2 0 29.13 -999 ? O4 PO4 B 157 >PHE~B 37 90.46 -5.56 25.32 89.69 -3.70 23.38 90.08 -4.63 24.35 3 0 20.04 -999 ? O4 PO4 B 157 >SER~B 38 90.96 -9.25 22.52 91.02 -7.55 20.73 90.99 -8.40 21.62 2 0 17.65 -999 ? O4 PO4 B 157 >ARG~B 39 96.51 -12.60 23.75 96.67 -14.96 21.79 96.59 -13.78 22.77 2 0 22.00 -999 ? O3 PO4 B 157 >ALA~B 40 89.73 -12.76 26.20 89.23 -11.59 27.06 89.48 -12.17 26.63 2 0 19.36 -999 ? O4 PO4 B 157 >PHE~B 41 86.53 -11.38 22.44 85.25 -8.99 23.11 85.89 -10.19 22.77 3 0 14.24 -999 ? O4 PO4 B 157 >PRO.B 42 84.99 -17.14 24.00 86.84 -16.54 22.86 85.92 -16.84 23.43 3 0 14.32 -999 ? O3 PO4 B 157 >GLY.B 43 87.69 -17.70 18.95 88.12 -17.18 19.38 87.91 -17.44 19.17 1 0 12.81 -999 ? O3 PO4 B 157 >PHE^B 44 91.94 -13.25 19.58 93.97 -11.47 18.84 92.95 -12.36 19.21 3 0 17.71 -999 ? O4 PO4 B 157 >LYS^B 45 91.99 -14.69 15.47 89.72 -18.97 15.48 90.85 -16.83 15.48 2 0 13.60 -999 ? O3 PO4 B 157 >SER^B 46 93.23 -11.12 14.96 92.26 -10.51 12.78 92.74 -10.81 13.87 2 0 15.97 -999 ? O4 PO4 B 157 >VAL^B 47 93.26 -7.59 16.25 93.51 -6.76 18.31 93.38 -7.17 17.28 3 0 18.58 -999 ? O4 PO4 B 157 >GLU^B 48 94.66 -5.71 12.21 93.86 -5.63 10.26 94.26 -5.67 11.23 2 0 19.14 -999 ? O4 PO4 B 157 >VAL^B 49 94.92 -1.20 16.31 94.96 -1.28 18.46 94.94 -1.24 17.39 3 0 22.63 -999 ? O4 PO4 B 157 >GLU^B 50 95.86 3.83 13.22 96.32 3.90 11.20 96.09 3.86 12.21 2 0 26.38 -999 ? O4 PO4 B 157 >ASP.B 51 96.04 5.98 17.67 95.14 7.72 18.44 95.59 6.85 18.06 2 0 28.85 -999 ? O4 PO4 B 157 >GLY.B 52 92.13 4.22 19.80 92.18 3.86 19.11 92.15 4.04 19.45 1 0 24.71 -999 ? O4 PO4 B 157 >SER^B 53 90.32 2.41 16.90 89.49 2.18 14.66 89.90 2.30 15.78 2 0 20.46 -999 ? O4 PO4 B 157 >PHE^B 54 89.83 -1.88 18.65 87.79 -1.86 20.47 88.81 -1.87 19.56 3 0 18.32 -999 ? O4 PO4 B 157 >THR^B 55 89.28 -4.25 14.18 89.07 -4.12 12.01 89.17 -4.18 13.10 2 0 15.66 -999 ? O4 PO4 B 157 >ILE^B 56 88.34 -7.86 17.20 88.33 -7.92 18.59 88.33 -7.89 17.90 3 0 14.10 -999 ? O4 PO4 B 157 >GLU^B 57 88.99 -9.93 11.57 89.52 -10.17 9.52 89.25 -10.05 10.55 2 0 13.70 -999 ? O4 PO4 B 157 >LEU^B 58 86.61 -13.78 17.06 85.08 -12.36 17.81 85.84 -13.07 17.43 3 0 10.48 -999 ? O4 PO4 B 157 >ARG^B 59 85.69 -20.16 12.82 83.88 -21.50 10.76 84.79 -20.83 11.79 2 0 9.09 -999 ? O3 PO4 B 157 >LEU^B 60 81.06 -16.84 16.36 80.55 -14.86 16.99 80.80 -15.85 16.68 3 0 5.85 -999 ? O3 PO4 B 157 >SER^B 61 81.00 -20.98 18.09 82.74 -21.61 19.63 81.87 -21.29 18.86 2 0 10.88 -999 ? O3 PO4 B 157 >LEU.B 62 77.72 -18.19 19.88 77.16 -16.89 21.58 77.44 -17.54 20.73 3 0 8.48 -999 ? O3 PO4 B 157 >GLY.B 63 75.58 -20.35 18.24 75.31 -21.04 18.86 75.44 -20.69 18.55 1 0 7.34 -999 ? O3 PO4 B 157 >PRO.B 64 71.73 -21.18 17.74 73.61 -21.64 16.59 72.67 -21.41 17.17 3 0 8.25 -999 ? O2 PO4 B 157 >LEU.B 65 75.57 -17.27 16.52 73.76 -16.08 16.66 74.66 -16.68 16.59 3 0 4.66 -999 ? O2 PO4 B 157 >ARG^B 66 79.33 -23.58 15.78 80.56 -25.08 13.38 79.95 -24.33 14.58 2 0 9.83 -999 ? O3 PO4 B 157 >GLY^B 67 81.36 -18.73 11.83 81.45 -18.33 12.54 81.40 -18.53 12.18 1 0 5.32 -999 ? O3 PO4 B 157 >ASP^B 68 84.47 -15.72 9.66 85.73 -17.30 9.18 85.10 -16.51 9.42 2 0 9.58 -999 ? O3 PO4 B 157 >ALA^B 69 82.95 -12.50 12.54 82.28 -12.67 13.90 82.62 -12.59 13.22 2 0 5.92 -999 ? O4 PO4 B 157 >ARG^B 70 86.10 -6.74 9.65 86.53 -8.66 7.30 86.31 -7.70 8.47 2 0 12.25 -999 ? O4 PO4 B 157 >VAL^B 71 84.07 -6.12 14.74 83.29 -6.30 16.77 83.68 -6.21 15.75 3 0 10.71 -999 ? O4 PO4 B 157 >ARG^B 72 86.11 -1.85 10.44 87.60 -3.55 8.35 86.85 -2.70 9.40 2 0 15.45 -999 ? O4 PO4 B 157 >ALA^B 73 85.23 -0.26 17.11 84.83 -1.06 18.33 85.03 -0.66 17.72 2 0 16.05 -999 ? O4 PO4 B 157 >SER^B 74 86.72 2.88 18.72 86.76 4.07 16.59 86.74 3.47 17.66 2 0 20.76 -999 ? O4 PO4 B 157 >PHE^B 75 88.83 2.75 23.62 89.20 0.24 24.73 89.01 1.50 24.18 3 0 22.74 -999 ? O4 PO4 B 157 >GLU^B 76 83.61 6.08 20.46 83.40 7.18 18.63 83.50 6.63 19.54 2 0 22.67 -999 ? O4 PO4 B 157 >ASP^B 77 83.84 8.59 26.54 83.82 9.47 28.48 83.83 9.03 27.51 2 0 28.94 -999 ? O4 PO4 B 157 >LEU^B 78 89.31 7.76 27.34 90.90 6.30 27.01 90.11 7.03 27.17 3 0 28.66 -999 ? O4 PO4 B 157 >GLU^B 79 87.02 10.38 32.50 85.72 10.88 34.07 86.37 10.63 33.28 2 0 33.83 -999 ? O4 PO4 B 157 >LYS.B 80 92.46 7.44 32.50 96.43 5.74 29.02 94.45 6.59 30.76 2 0 32.22 -999 ? O4 PO4 B 157 >PRO.B 81 91.91 7.62 37.10 92.16 6.20 35.34 92.03 6.91 36.22 3 0 34.91 -999 ? O4 PO4 B 157 >SER.B 82 88.43 4.78 35.69 87.30 6.93 36.16 87.87 5.86 35.93 2 0 33.07 -999 ? O4 PO4 B 157 >LYS^B 83 86.07 4.96 32.70 81.47 8.64 33.51 83.77 6.80 33.10 2 0 30.94 -999 ? O4 PO4 B 157 >ALA^B 84 85.83 4.26 29.00 86.92 3.33 28.56 86.38 3.79 28.78 2 0 25.48 -999 ? O4 PO4 B 157 >THR^B 85 83.28 3.92 26.24 81.52 5.20 26.14 82.40 4.56 26.19 2 0 23.70 -999 ? O4 PO4 B 157 >VAL^B 86 83.64 1.73 23.21 85.00 0.02 23.13 84.32 0.88 23.17 3 0 19.54 -999 ? O4 PO4 B 157 >LYS^B 87 81.35 2.10 20.24 78.13 6.12 22.50 79.74 4.11 21.37 2 0 22.12 -999 ? O4 PO4 B 157 >GLY^B 88 81.33 -0.17 17.26 80.59 -0.20 17.54 80.96 -0.19 17.40 1 0 14.98 -999 ? O4 PO4 B 157 >SER^B 89 79.72 -2.60 14.91 80.43 -1.64 12.80 80.08 -2.12 13.86 2 0 12.53 -999 ? O4 PO4 B 157 >GLY^B 90 80.15 -6.22 13.98 79.44 -5.89 13.62 79.80 -6.05 13.80 1 0 8.29 -999 ? O4 PO4 B 157 >ARG^B 91 78.96 -6.36 8.15 79.23 -3.90 6.34 79.09 -5.13 7.24 2 0 11.78 -999 ? O4 PO4 B 157 >GLY.B 92 79.11 -12.38 10.59 78.62 -11.82 10.14 78.87 -12.10 10.36 1 0 -3.39 -999 ? O4 PO4 B 157s >ALA.B 93 77.77 -14.17 7.48 78.18 -15.57 7.03 77.98 -14.87 7.26 2 0 -4.09 -999 ? O1 PO4 B 157s >GLY.B 94 74.19 -13.79 8.73 74.64 -13.35 9.18 74.41 -13.57 8.96 1 0 -2.74 -999 ? O1 PO4 B 157s >SER^B 95 73.99 -11.31 11.68 73.14 -13.15 13.07 73.56 -12.23 12.37 2 0 -2.51 -999 ? O2 PO4 B 157s >THR^B 96 74.96 -7.72 12.52 73.98 -6.58 10.91 74.47 -7.15 11.72 2 0 7.63 -999 ? O4 PO4 B 157 >LEU^B 97 76.52 -6.61 16.69 76.52 -6.54 18.83 76.52 -6.58 17.76 3 0 8.73 -999 ? O4 PO4 B 157 >ASP^B 98 74.90 -1.13 15.84 75.71 0.80 15.83 75.30 -0.17 15.84 2 0 14.77 -999 ? O4 PO4 B 157 >PHE^B 99 78.92 -2.93 20.42 81.67 -2.93 20.04 80.29 -2.93 20.23 3 0 13.64 -999 ? O4 PO4 B 157 >THR^B 100 78.07 0.80 22.88 77.64 2.93 23.08 77.86 1.86 22.98 2 0 19.62 -999 ? O4 PO4 B 157 >LEU^B 101 80.86 -1.84 25.66 81.81 -3.16 27.09 81.33 -2.50 26.38 3 0 18.35 -999 ? O4 PO4 B 157 >ARG^B 102 77.98 4.46 28.62 76.04 4.91 26.25 77.01 4.68 27.43 2 0 23.02 -999 ? O4 PO4 B 157 >PHE^B 103 84.84 -0.56 30.79 87.24 -0.17 29.41 86.04 -0.36 30.10 3 0 23.92 -999 ? O4 PO4 B 157 >ALA^B 104 83.89 1.75 34.99 82.88 2.33 35.92 83.38 2.04 35.46 2 0 28.97 -999 ? O4 PO4 B 157 >VAL^B 105 86.89 0.32 36.79 88.58 -0.69 35.83 87.73 -0.18 36.31 3 0 29.48 -999 ? O4 PO4 B 157 >GLU^B 106 83.89 1.30 40.26 83.26 3.26 39.84 83.58 2.28 40.05 2 0 32.77 -999 ? O4 PO4 B 157 >PRO^B 107 88.37 2.51 44.18 88.21 0.56 43.09 88.29 1.54 43.64 3 0 36.51 -999 ? O4 PO4 B 157 >SER^B 108 87.35 -2.68 45.86 84.97 -2.50 45.26 86.16 -2.59 45.56 2 0 35.56 -999 ? O4 PO4 B 157 >GLY.B 109 88.88 -4.88 48.66 89.36 -4.28 48.11 89.12 -4.58 48.38 1 0 39.14 -999 ? O4 PO4 B 157 >GLY.B 110 92.29 -3.25 47.71 91.62 -3.41 47.28 91.96 -3.33 47.50 1 0 39.88 -999 ? O4 PO4 B 157 >GLY^B 111 91.79 -4.63 44.24 91.30 -4.11 44.62 91.55 -4.37 44.43 1 0 36.28 -999 ? O4 PO4 B 157 >SER^B 112 89.29 -3.64 41.67 91.18 -3.07 40.27 90.24 -3.35 40.97 2 0 33.05 -999 ? O4 PO4 B 157 >ARG^B 113 81.85 -3.95 41.76 81.35 -6.91 42.56 81.60 -5.43 42.16 2 0 31.13 -999 ? O4 PO4 B 157 >VAL^B 114 84.67 -3.67 36.92 85.85 -4.17 35.15 85.26 -3.92 36.03 3 0 26.84 -999 ? O4 PO4 B 157 >SER^B 115 81.06 -2.48 36.26 80.61 -1.80 38.52 80.84 -2.14 37.39 2 0 28.82 -999 ? O4 PO4 B 157 >TRP^B 116 80.79 -5.59 33.37 77.79 -7.02 31.25 79.29 -6.31 32.31 3 0 21.24 -999 ? O4 PO4 B 157 >VAL^B 117 76.80 -1.80 30.52 75.57 0.06 30.36 76.19 -0.87 30.44 3 0 21.96 -999 ? O4 PO4 B 157 >PHE^B 118 76.75 -5.04 25.37 76.61 -5.78 22.67 76.68 -5.41 24.02 3 0 14.09 -999 ? O4 PO4 B 157 >GLU^B 119 73.18 -0.10 26.37 72.77 1.96 26.70 72.97 0.93 26.54 2 0 21.37 -999 ? O4 PO4 B 157 >GLY^B 120 73.36 -3.52 21.25 72.58 -3.21 21.52 72.97 -3.36 21.38 1 0 13.69 -999 ? O4 PO4 B 157 >ASN^B 121 70.94 -2.18 17.28 70.26 -0.47 18.39 70.60 -1.32 17.83 2 0 15.68 -999 ? O4 PO4 B 157 >VAL^B 122 71.18 -6.94 16.68 71.52 -8.69 17.95 71.35 -7.81 17.31 3 0 9.14 -999 ? O4 PO4 B 157 >GLY^B 123 70.17 -7.64 13.05 70.67 -8.18 13.35 70.42 -7.91 13.20 1 0 8.65 -999 ? O2 PO4 B 157 >GLY^B 124 69.83 -10.60 10.72 69.49 -10.60 11.48 69.66 -10.60 11.10 1 0 6.65 -999 ? O2 PO4 B 157 >LEU~B 125 70.86 -15.26 11.62 70.51 -16.12 9.58 70.69 -15.69 10.60 3 0 4.20 -999 ? O2 PO4 B 157 >ALA~B 126 70.46 -13.28 15.63 71.65 -12.47 16.12 71.06 -12.88 15.88 2 0 5.49 -999 ? O2 PO4 B 157 >ALA~B 127 67.31 -11.06 15.40 67.34 -9.69 14.74 67.33 -10.37 15.07 2 0 9.32 -999 ? O2 PO4 B 157 >SER~B 128 65.16 -13.57 13.56 66.37 -15.38 12.51 65.77 -14.48 13.03 2 0 8.15 -999 ? O2 PO4 B 157 >MET~B 129 65.46 -16.11 16.39 69.43 -17.29 16.71 67.45 -16.70 16.55 2 0 7.14 -999 ? O2 PO4 B 157 >GLY~B 130 63.27 -15.76 19.44 64.06 -15.62 19.26 63.66 -15.69 19.35 1 0 13.38 -999 ? O2 PO4 B 157 >GLY~B 131 64.61 -13.04 21.78 64.49 -13.85 21.92 64.55 -13.45 21.85 1 0 13.91 -999 ? O2 PO4 B 157 >ARG~B 132 62.46 -15.25 26.87 62.06 -13.47 29.38 62.26 -14.36 28.12 2 0 14.35 -999 ? O1 PO4 A 157 >VAL~B 133 67.22 -17.86 22.52 67.01 -19.46 21.04 67.11 -18.66 21.78 3 0 12.61 -999 ? O2 PO4 B 157 >LEU~B 134 69.10 -13.65 20.78 71.00 -12.47 20.75 70.05 -13.06 20.77 3 0 9.85 -999 ? O2 PO4 B 157 >ASP~B 135 68.24 -13.48 26.20 68.68 -13.22 28.28 68.46 -13.35 27.24 2 0 17.19 -999 ? O2 PO4 B 157 >SER~B 136 70.83 -17.19 26.46 70.06 -18.93 24.95 70.44 -18.06 25.71 2 0 14.03 -999 ? O2 PO4 B 157 >LEU~B 137 73.30 -17.14 22.26 72.88 -18.99 21.18 73.09 -18.06 21.72 3 0 10.06 -999 ? O2 PO4 B 157 >ALA~B 138 74.43 -13.37 24.60 73.42 -12.19 24.54 73.92 -12.78 24.57 2 0 12.50 -999 ? O4 PO4 B 157 >ARG~B 139 71.78 -13.31 30.60 70.38 -16.04 30.68 71.08 -14.67 30.64 2 0 18.94 -999 ? O2 PO4 B 157 >ARG~B 140 77.05 -20.68 25.68 77.92 -23.37 24.45 77.49 -22.02 25.06 2 0 14.13 -999 ? O3 PO4 B 157 >MET~B 141 79.26 -15.06 25.40 81.61 -14.37 23.00 80.44 -14.72 24.20 2 0 11.64 -999 ? O4 PO4 B 157 >ILE~B 142 78.20 -11.60 28.75 77.42 -10.52 29.07 77.81 -11.06 28.91 3 0 16.61 -999 ? O4 PO4 B 157 >ASN~B 143 79.39 -16.24 31.14 77.80 -15.72 32.52 78.59 -15.98 31.83 2 0 20.13 -999 ? O3 PO4 B 157 >ASP~B 144 82.84 -17.14 27.01 81.64 -18.87 26.93 82.24 -18.01 26.97 2 0 15.56 -999 ? O3 PO4 B 157 >VAL~B 145 84.48 -13.06 27.77 84.21 -11.43 26.31 84.35 -12.25 27.04 3 0 16.51 -999 ? O4 PO4 B 157 >ILE~B 146 83.31 -11.92 32.49 82.53 -11.07 33.33 82.92 -11.50 32.91 3 0 21.44 -999 ? O4 PO4 B 157 >SER~B 147 86.18 -15.53 32.25 86.51 -17.95 32.23 86.35 -16.74 32.24 2 0 22.15 -999 ? O3 PO4 B 157 >GLY~B 148 88.67 -14.76 29.47 88.46 -14.30 30.11 88.57 -14.53 29.79 1 0 20.82 -999 ? O3 PO4 B 157 >VAL~B 149 89.43 -11.35 31.04 88.39 -9.41 31.21 88.91 -10.38 31.13 3 0 22.53 -999 ? O4 PO4 B 157 >LYS~B 150 90.10 -13.01 34.40 84.88 -14.00 37.93 87.49 -13.50 36.16 2 0 26.72 -999 ? O4 PO4 B 157 >ARG~B 151 92.55 -18.56 30.15 92.70 -16.77 27.66 92.63 -17.67 28.91 2 0 22.05 -999 ? O3 PO4 B 157 >GLU~B 152 93.40 -13.14 28.33 95.05 -14.08 27.45 94.23 -13.61 27.89 2 0 23.74 -999 ? O3 PO4 B 157 >LEU~B 153 93.75 -10.08 34.49 93.26 -8.00 34.04 93.50 -9.04 34.27 3 0 27.91 -999 ? O4 PO4 B 157