REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAY-01 1IN0 COMPND YAJQ PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: HI1034; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 GENE: YAJQ; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.TEPLYAKOV,G.L.GILLILAND,STRUCTURE 2 FUNCTION PROJECT (S2F) HET HG A 202 1 HET NA A 203 1 HET HG B 201 1 HET HG B 202 1 HET NA B 203 1 HET MMC A 201 2 SITE 1 AC1 4 CYS A 69 ILE A 74 LEU A 79 MMC A 201 SITE 1 AC2 5 THR A 123 HOH A 205 ASP B 31 HOH B 205 SITE 1 AC3 3 ALA B 18 LEU B 65 CYS B 69 SITE 1 AC4 3 CYS B 69 ILE B 74 LEU B 79 SITE 1 AC5 5 ASP A 31 HOH A 207 HOH A 213 THR B 123 SITE 1 AC6 4 LEU A 65 CYS A 69 LEU A 79 HG A 202 >PRO.A 2 25.79 30.40 -32.48 25.54 28.20 -31.83 25.67 29.30 -32.16 3 0 33.71 -999 ? HG HG A 202 >SER^A 3 24.24 27.94 -27.68 25.45 25.90 -27.09 24.84 26.92 -27.38 2 0 29.64 -999 ? HG HG A 202 >PHE^A 4 22.41 30.98 -24.04 19.74 31.78 -24.19 21.07 31.38 -24.11 3 0 24.77 -999 ? HG HG A 202 >ASP^A 5 23.70 26.67 -19.95 24.37 24.97 -21.08 24.03 25.82 -20.51 2 0 24.26 -999 ? HG HG A 202 >ILE^A 6 18.63 29.28 -18.91 17.49 29.92 -19.24 18.06 29.60 -19.08 3 0 19.99 -999 ? HG HG A 202 >VAL^A 7 20.96 28.27 -14.98 23.18 28.02 -15.08 22.07 28.15 -15.03 3 0 17.09 -999 ? HG HG A 202 >SER.A 8 19.66 29.14 -11.44 17.58 29.96 -10.41 18.62 29.55 -10.93 2 0 11.68 -999 ? HG HG A 202 >GLU.A 9 24.08 27.35 -10.14 25.44 27.38 -11.65 24.76 27.37 -10.89 2 0 15.78 -999 ? HG HG A 202 >ILE.A 10 21.27 29.17 -4.58 20.15 29.25 -3.80 20.71 29.21 -4.19 3 0 7.52 -999 ? HG HG A 202 >THR~A 11 25.73 30.60 -3.58 26.53 32.51 -4.08 26.13 31.56 -3.83 2 0 9.73 -999 ? HG HG A 202 >LEU~A 12 25.60 27.56 0.09 24.07 26.03 0.26 24.84 26.79 0.17 3 0 10.38 -999 ? HG HG A 202 >HIS~A 13 30.21 32.40 0.82 31.39 33.97 1.56 30.80 33.18 1.19 3 0 12.82 -999 ? HG HG A 202 >GLU~A 14 26.74 35.80 -1.32 26.79 35.79 -3.41 26.77 35.80 -2.36 2 0 9.49 -999 ? HG HG A 202 >VAL~A 15 22.96 32.49 2.04 21.42 31.12 1.23 22.19 31.81 1.64 3 0 5.20 -999 ? HG HG A 202 >ARG~A 16 27.82 29.60 6.56 27.82 27.16 4.72 27.82 28.38 5.64 2 0 12.71 -999 ? C MMC A 201 >ASN~A 17 26.78 35.80 4.49 28.78 35.33 5.26 27.78 35.57 4.88 2 0 11.31 -999 ? HG MMC A 201 >ALA~A 18 22.26 36.36 5.03 21.40 36.14 3.80 21.83 36.25 4.41 2 0 3.77 -999 ? HG MMC A 201 >VAL~A 19 20.97 33.99 7.81 20.33 31.95 7.67 20.65 32.97 7.74 3 0 5.72 -999 ? C MMC A 201 >GLU~A 20 25.71 33.85 10.11 27.66 33.50 9.39 26.68 33.67 9.75 2 0 11.82 -999 ? C MMC A 201 >ASN~A 21 22.68 39.56 8.24 21.63 41.44 8.15 22.16 40.50 8.19 2 0 8.48 -999 ? HG MMC A 201 >ALA~A 22 18.99 37.83 10.04 18.26 36.88 9.12 18.62 37.35 9.58 2 0 6.33 -999 ? HG MMC A 201 >ASN~A 23 20.72 34.95 13.70 19.42 33.24 13.41 20.07 34.09 13.55 2 0 10.50 -999 ? C MMC A 201 >ARG~A 24 25.30 39.30 13.60 25.87 40.61 10.92 25.58 39.95 12.26 2 0 12.31 -999 ? HG MMC A 201 >VAL~A 25 18.53 41.42 13.67 17.73 42.39 11.85 18.13 41.91 12.76 3 0 11.50 -999 ? HG MMC A 201 >LEU~A 26 16.18 37.40 15.01 14.45 36.31 15.72 15.32 36.85 15.36 3 0 11.63 -999 ? NA NA B 203 >SER~A 27 18.21 38.93 18.59 20.48 39.41 18.34 19.35 39.17 18.47 2 0 11.78 -999 ? NA NA A 203 >THR.A 28 17.66 42.69 18.99 19.01 43.57 17.44 18.33 43.13 18.22 2 0 8.90 -999 ? NA NA A 203 >ARG.A 29 13.02 43.24 15.09 10.41 42.67 13.41 11.72 42.95 14.25 2 0 9.38 -999 ? NA NA B 203 >TYR~A 30 11.47 46.59 22.24 11.21 47.96 24.66 11.34 47.28 23.45 3 0 8.85 -999 ? NA NA B 203 >ASP~A 31 8.05 42.84 18.81 9.16 42.64 17.02 8.60 42.74 17.91 2 0 -5.80 -999 ? NA NA B 203s >PHE~A 32 10.57 38.13 17.83 9.07 37.57 15.51 9.82 37.85 16.67 3 0 6.59 -999 ? NA NA B 203 >ARG~A 33 13.28 42.84 24.58 15.36 42.54 26.76 14.32 42.69 25.67 2 0 10.92 -999 ? NA NA B 203 >GLY.A 34 10.91 36.43 25.71 10.89 36.46 24.86 10.90 36.45 25.29 1 0 7.63 -999 ? NA NA B 203 >VAL.A 35 9.70 34.70 22.53 8.28 35.74 21.18 8.99 35.22 21.86 3 0 6.02 -999 ? NA NA B 203 >GLU.A 36 11.68 29.10 21.14 11.05 27.27 21.96 11.36 28.18 21.55 2 0 14.11 -999 ? NA NA B 203 >ALA^A 37 12.15 32.37 17.38 12.02 33.88 17.42 12.08 33.12 17.40 2 0 9.74 -999 ? NA NA B 203 >VAL^A 38 14.66 30.39 15.35 15.23 28.44 16.30 14.95 29.41 15.83 3 0 13.98 -999 ? C MMC A 201 >ILE^A 39 16.40 32.51 11.44 16.24 33.74 10.77 16.32 33.13 11.10 3 0 8.21 -999 ? C MMC A 201 >GLU^A 40 16.92 26.15 11.76 16.88 24.69 13.29 16.90 25.42 12.52 2 0 14.24 -999 ? C MMC A 201 >LEU^A 41 21.32 27.90 7.26 21.85 27.65 5.13 21.59 27.78 6.20 3 0 8.48 -999 ? C MMC A 201 >ASN^A 42 19.28 22.39 6.82 20.28 20.51 6.87 19.78 21.45 6.84 2 0 14.87 -999 ? C MMC A 201 >GLU.A 43 25.54 23.38 5.26 26.66 24.39 6.72 26.10 23.89 5.99 2 0 14.10 -999 ? C MMC A 201 >LYS.A 44 23.04 20.08 3.48 24.70 17.12 8.11 23.87 18.60 5.80 2 0 19.54 -999 ? C MMC A 201 >ASN.A 45 18.21 19.92 3.92 17.74 17.84 3.84 17.97 18.88 3.88 2 0 16.84 -999 ? C MMC A 201 >GLU.A 46 19.73 23.90 -1.45 20.76 22.82 -3.01 20.25 23.36 -2.23 2 0 12.60 -999 ? HG HG A 202 >THR^A 47 16.51 24.71 3.55 15.55 22.84 4.13 16.03 23.78 3.84 2 0 12.05 -999 ? C MMC A 201 >ILE^A 48 16.15 29.02 5.58 16.69 30.35 5.50 16.42 29.68 5.54 3 0 5.66 -999 ? C MMC A 201 >LYS^A 49 13.85 26.57 8.84 10.72 22.12 11.80 12.28 24.35 10.32 2 0 16.74 -999 ? C MMC A 201 >ILE^A 50 11.47 30.66 9.93 11.19 31.58 8.73 11.33 31.12 9.33 3 0 9.54 -999 ? C MMC A 201 >THR^A 51 10.19 28.67 13.94 10.43 26.68 14.82 10.31 27.67 14.38 2 0 15.89 -999 ? C MMC A 201 >THR^A 52 8.30 30.85 16.42 7.91 33.00 16.15 8.11 31.92 16.29 2 0 9.32 -999 ? NA NA B 203 >GLU.A 53 6.26 31.04 20.66 6.95 32.00 22.42 6.60 31.52 21.54 2 0 8.57 -999 ? NA NA B 203 >SER~A 54 2.54 32.28 15.78 2.32 34.59 16.32 2.43 33.43 16.05 2 0 8.63 -999 ? NA NA B 203 >ASP~A 55 0.58 32.19 11.27 0.47 30.09 10.63 0.52 31.14 10.95 2 0 15.98 -999 ? NA NA B 203 >PHE~A 56 1.77 38.78 13.11 2.53 41.36 12.31 2.15 40.07 12.71 3 0 9.55 -999 ? NA NA B 203 >GLN~A 57 5.38 36.66 16.64 5.28 36.09 18.74 5.33 36.38 17.69 2 0 5.19 -999 ? NA NA B 203 >LEU~A 58 5.72 32.58 10.57 6.25 30.50 11.15 5.98 31.54 10.86 3 0 13.82 -999 ? NA NA B 203 >GLU~A 59 2.88 36.46 8.49 1.09 37.42 7.89 1.99 36.94 8.19 2 0 14.73 -999 ? NA NA B 203 >GLN~A 60 6.21 40.02 12.56 6.34 40.49 14.59 6.28 40.25 13.58 2 0 6.83 -999 ? NA NA B 203 >LEU~A 61 10.71 35.09 11.14 11.32 34.65 13.24 11.02 34.87 12.19 3 0 11.22 -999 ? C MMC A 201 >ILE~A 62 8.73 35.84 6.19 8.08 34.90 5.39 8.41 35.37 5.79 3 0 9.66 -999 ? C MMC A 201 >GLU~A 63 8.10 41.16 7.14 7.51 43.11 7.78 7.81 42.13 7.46 2 0 13.36 -999 ? HG MMC A 201 >ILE~A 64 14.03 39.29 9.75 14.42 39.45 11.10 14.23 39.37 10.43 3 0 8.98 -999 ? HG MMC A 201 >LEU~A 65 14.08 35.95 5.67 14.43 34.00 6.39 14.25 34.98 6.03 3 0 -4.48 -999 ? C MMC A 201s >ILE~A 66 12.50 39.44 2.67 11.28 39.58 1.92 11.89 39.51 2.30 3 0 6.82 -999 ? HG MMC A 201 >GLY~A 67 15.44 42.13 4.59 15.83 41.37 4.43 15.64 41.75 4.51 1 0 6.71 -999 ? HG MMC A 201 >SER~A 68 18.75 40.24 4.90 18.83 39.72 7.18 18.79 39.98 6.04 2 0 5.76 -999 ? HG MMC A 201 >CYH~A 69 18.83 39.04 1.23 17.21 36.88 0.60 18.02 37.96 0.91 2 0 2.38 -999 ? HG HG A 202s >ILE~A 70 17.34 43.70 0.59 16.29 44.51 0.42 16.81 44.11 0.50 3 0 8.43 -999 ? HG MMC A 201 >LYS~A 71 21.40 43.66 2.39 19.38 44.09 8.10 20.39 43.87 5.25 2 0 9.72 -999 ? HG MMC A 201 >ARG~A 72 25.55 39.56 2.40 25.60 40.47 5.49 25.58 40.01 3.95 2 0 9.38 -999 ? HG MMC A 201 >GLY.A 73 22.12 41.58 -2.60 22.06 40.89 -2.16 22.09 41.23 -2.38 1 0 8.46 -999 ? HG HG A 202 >ILE.A 74 20.41 37.12 -1.60 20.81 35.68 -1.09 20.61 36.40 -1.34 3 0 -3.43 -999 ? HG HG A 202s >GLU~A 75 17.86 38.33 -7.21 16.71 39.77 -8.22 17.29 39.05 -7.72 2 0 9.97 -999 ? HG HG A 202 >HIS~A 76 12.15 37.70 -1.84 10.18 36.96 -1.70 11.17 37.33 -1.77 3 0 7.69 -999 ? HG HG A 202 >SER~A 77 12.66 34.98 -5.01 13.47 35.77 -7.11 13.06 35.38 -6.06 2 0 8.76 -999 ? HG HG A 202 >SER.A 78 15.40 32.43 -4.64 17.35 33.84 -4.88 16.38 33.13 -4.76 2 0 5.26 -999 ? HG HG A 202 >LEU^A 79 13.42 32.27 -0.13 15.21 32.91 1.00 14.31 32.59 0.44 3 0 4.34 -999 ? HG HG A 202s >ASP^A 80 10.83 27.61 -2.34 9.16 26.99 -3.52 9.99 27.30 -2.93 2 0 12.39 -999 ? HG HG A 202 >ILE.A 81 8.40 31.42 1.63 8.83 32.61 2.31 8.62 32.01 1.97 3 0 9.52 -999 ? C MMC A 201 >PRO.A 82 7.04 26.31 3.09 6.10 28.00 1.88 6.57 27.16 2.49 3 0 13.43 -999 ? C MMC A 201 >ALA.A 83 2.09 29.42 2.33 0.87 29.50 1.43 1.48 29.46 1.88 2 0 17.67 -999 ? C MMC A 201 >GLU.A 84 -1.11 26.09 4.61 -1.54 24.31 3.55 -1.32 25.20 4.08 2 0 21.83 -999 ? C MMC A 201 >SER.A 85 2.90 26.69 8.66 1.49 27.85 10.26 2.19 27.27 9.46 2 0 17.45 -999 ? NA NA B 203 >GLU^A 86 5.52 22.80 9.15 7.56 22.44 9.67 6.54 22.62 9.41 2 0 17.15 -999 ? C MMC A 201 >HIS^A 87 0.19 24.50 15.66 -0.78 24.88 17.49 -0.29 24.69 16.57 3 0 17.68 -999 ? NA NA B 203 >HIS^A 88 5.14 20.37 14.98 4.91 19.22 13.25 5.03 19.79 14.11 3 0 21.94 -999 ? NA NA B 203 >GLY.A 89 2.72 22.00 20.23 2.68 22.53 19.56 2.70 22.26 19.90 1 0 18.80 -999 ? NA NA B 203 >LYS.A 90 3.13 25.66 21.00 4.19 30.24 24.33 3.66 27.95 22.67 2 0 10.79 -999 ? NA NA B 203 >LEU^A 91 6.69 25.72 17.90 8.09 26.42 19.33 7.39 26.07 18.61 3 0 14.72 -999 ? NA NA B 203 >TYR^A 92 2.51 28.27 14.83 0.08 28.06 16.17 1.29 28.16 15.50 3 0 14.45 -999 ? NA NA B 203 >SER^A 93 7.33 26.80 11.53 8.25 24.63 12.16 7.79 25.72 11.84 2 0 16.45 -999 ? C MMC A 201 >LYS^A 94 7.94 26.71 7.84 3.96 31.11 5.86 5.95 28.91 6.85 2 0 14.42 -999 ? C MMC A 201 >GLU^A 95 11.04 22.44 6.49 12.24 21.09 5.43 11.64 21.77 5.96 2 0 14.80 -999 ? C MMC A 201 >ILE^A 96 12.38 28.90 3.68 12.31 30.25 3.80 12.35 29.57 3.74 3 0 7.40 -999 ? C MMC A 201 >LYS^A 97 13.47 25.85 0.21 9.18 21.66 -0.27 11.33 23.75 -0.03 2 0 15.80 -999 ? HG HG A 202 >LEU^A 98 17.90 26.89 -1.15 18.86 28.26 0.22 18.38 27.57 -0.46 3 0 7.16 -999 ? HG HG A 202 >LYS.A 99 15.80 27.33 -5.37 10.93 31.11 -5.82 13.36 29.22 -5.59 2 0 10.06 -999 ? HG HG A 202 >GLN.A 100 21.08 24.13 -6.21 22.27 25.46 -7.45 21.68 24.79 -6.83 2 0 12.73 -999 ? HG HG A 202 >GLY.A 101 18.68 24.81 -10.22 18.12 25.26 -9.82 18.40 25.04 -10.02 1 0 14.41 -999 ? HG HG A 202 >ILE.A 102 15.82 25.25 -13.99 15.69 26.26 -14.88 15.75 25.75 -14.44 3 0 17.35 -999 ? HG HG A 202 >GLU~A 103 13.10 21.14 -9.69 12.90 21.59 -7.65 13.00 21.37 -8.67 2 0 16.16 -999 ? HG HG A 202 >THR~A 104 10.95 20.86 -14.83 10.25 18.88 -14.68 10.60 19.87 -14.75 2 0 23.13 -999 ? HG HG A 202 >GLU~A 105 6.04 24.23 -12.70 5.02 24.30 -10.83 5.53 24.26 -11.76 2 0 20.05 -999 ? HG HG A 202 >MET~A 106 10.06 26.30 -14.23 10.65 29.35 -13.44 10.36 27.82 -13.83 2 0 16.48 -999 ? HG HG A 202 >ALA~A 107 11.89 24.88 -17.32 12.53 23.51 -17.47 12.21 24.20 -17.40 2 0 21.68 -999 ? HG HG A 202 >LYS~A 108 8.56 24.34 -19.01 7.44 18.33 -17.94 8.00 21.34 -18.48 2 0 26.70 -999 ? HG HG A 202 >LYS~A 109 7.66 27.99 -18.28 6.21 29.34 -12.38 6.94 28.66 -15.33 2 0 18.16 -999 ? HG HG A 202 >ILE~A 110 12.33 28.58 -19.52 13.71 28.76 -19.15 13.02 28.67 -19.34 3 0 21.11 -999 ? HG HG A 202 >THR~A 111 10.44 26.72 -22.90 10.73 24.62 -22.53 10.59 25.67 -22.71 2 0 25.97 -999 ? HG HG A 202 >LYS~A 112 6.91 27.97 -23.27 0.93 28.18 -23.13 3.92 28.08 -23.20 2 0 29.73 -999 ? HG HG A 202 >LEU~A 113 8.81 32.25 -22.17 8.94 34.44 -21.94 8.88 33.34 -22.05 3 0 24.17 -999 ? HG HG A 202 >VAL~A 114 10.49 30.88 -26.05 12.51 30.02 -25.97 11.50 30.45 -26.01 3 0 27.41 -999 ? HG HG A 202 >LYS~A 115 7.84 29.18 -28.24 6.19 23.71 -25.96 7.01 26.45 -27.10 2 0 30.81 -999 ? HG HG A 202 >ASP~A 116 4.87 32.71 -26.60 3.90 31.62 -25.04 4.39 32.17 -25.82 2 0 29.17 -999 ? HG HG A 202 >SER~A 117 8.44 34.75 -28.60 10.47 33.66 -28.44 9.45 34.21 -28.52 2 0 29.71 -999 ? HG HG A 202 >LYS~A 118 8.76 33.06 -32.04 3.30 32.46 -32.37 6.03 32.76 -32.20 2 0 35.89 -999 ? HG HG A 202 >ILE.A 119 13.38 33.71 -30.63 14.24 34.52 -29.83 13.81 34.12 -30.23 3 0 30.78 -999 ? HG HG A 202 >LYS.A 120 14.08 30.52 -33.93 13.96 32.13 -39.09 14.02 31.33 -36.51 2 0 39.64 -999 ? HG HG A 202 >VAL.A 121 15.92 28.63 -31.21 16.17 30.28 -29.88 16.05 29.46 -30.54 3 0 31.30 -999 ? HG HG A 202 >GLN^A 122 16.50 24.00 -31.85 18.09 22.97 -32.68 17.30 23.48 -32.27 2 0 34.96 -999 ? HG HG A 202 >THR^A 123 15.37 24.33 -26.09 13.76 25.60 -25.51 14.56 24.96 -25.80 2 0 -27.66 -999 ? HG HG A 202s >GLN^A 124 17.88 20.18 -26.11 19.70 19.28 -26.67 18.79 19.73 -26.39 2 0 31.07 -999 ? HG HG A 202 >ILE^A 125 13.92 20.63 -20.17 12.65 21.03 -19.64 13.29 20.83 -19.91 3 0 24.93 -999 ? HG HG A 202 >GLN^A 126 20.06 19.89 -20.40 21.33 19.44 -22.07 20.69 19.66 -21.23 2 0 27.23 -999 ? HG HG A 202 >GLY.A 127 19.84 18.32 -15.60 19.06 18.69 -15.84 19.45 18.50 -15.72 1 0 22.85 -999 ? HG HG A 202 >GLU.A 128 19.09 20.99 -11.17 20.53 20.92 -9.56 19.81 20.96 -10.36 2 0 17.08 -999 ? HG HG A 202 >GLN^A 129 21.18 22.90 -17.72 22.99 23.21 -18.86 22.08 23.05 -18.29 2 0 22.83 -999 ? HG HG A 202 >VAL^A 130 17.71 24.82 -20.10 15.69 25.52 -20.27 16.70 25.17 -20.19 3 0 22.59 -999 ? HG HG A 202 >ARG^A 131 23.21 23.05 -24.67 25.06 21.47 -22.64 24.14 22.26 -23.65 2 0 27.34 -999 ? HG HG A 202 >VAL^A 132 19.24 27.33 -25.79 18.01 29.13 -25.50 18.63 28.23 -25.64 3 0 26.69 -999 ? HG HG A 202 >THR^A 133 20.68 26.46 -29.22 21.34 24.44 -29.63 21.01 25.45 -29.43 2 0 31.76 -999 ? HG HG A 202 >GLY.A 134 20.23 28.54 -32.41 21.05 28.32 -32.35 20.64 28.43 -32.38 1 0 33.31 -999 ? HG HG A 202 >LYS.A 135 21.83 29.38 -35.76 21.17 31.09 -41.54 21.50 30.24 -38.65 2 0 42.06 -999 ? HG HG A 202 >SER~A 136 22.08 33.02 -34.83 21.05 35.17 -35.11 21.57 34.10 -34.97 2 0 35.49 -999 ? HG HG A 202 >ARG~A 137 27.75 34.45 -32.47 30.06 32.76 -31.12 28.90 33.60 -31.80 2 0 33.63 -999 ? HG HG A 202 >ASP~A 138 21.54 38.60 -33.58 21.92 40.68 -33.61 21.73 39.64 -33.59 2 0 34.60 -999 ? HG HG A 202 >ASP~A 139 18.25 34.35 -32.49 17.52 34.82 -34.34 17.88 34.58 -33.41 2 0 34.59 -999 ? HG HG A 202 >LEU~A 140 21.89 33.28 -28.83 22.13 31.20 -29.11 22.01 32.24 -28.97 3 0 29.58 -999 ? HG HG A 202 >GLN~A 141 23.33 38.30 -27.78 24.15 38.23 -25.88 23.74 38.26 -26.83 2 0 27.05 -999 ? HG HG A 202 >ALA~A 142 17.35 38.22 -27.85 16.43 38.10 -29.03 16.89 38.16 -28.44 2 0 29.52 -999 ? HG HG A 202 >VAL~A 143 16.51 35.07 -25.83 16.31 32.81 -26.17 16.41 33.94 -26.00 3 0 26.32 -999 ? HG HG A 202 >ILE~A 144 20.18 36.55 -22.99 21.52 36.31 -22.60 20.85 36.43 -22.80 3 0 23.27 -999 ? HG HG A 202 >GLN~A 145 18.28 41.08 -24.35 18.95 42.33 -22.80 18.61 41.71 -23.57 2 0 24.29 -999 ? HG HG A 202 >LEU~A 146 13.17 36.80 -24.13 11.23 36.16 -24.84 12.20 36.48 -24.48 3 0 25.49 -999 ? HG HG A 202 >VAL~A 147 14.11 35.59 -20.08 14.71 33.48 -19.95 14.41 34.53 -20.02 3 0 20.60 -999 ? HG HG A 202 >LYS~A 148 15.69 38.48 -18.16 21.09 39.13 -17.31 18.39 38.80 -17.74 2 0 18.36 -999 ? HG HG A 202 >SER~A 149 12.63 40.58 -18.84 12.97 42.03 -20.65 12.80 41.30 -19.74 2 0 22.74 -999 ? HG HG A 202 >ALA~A 150 10.09 38.03 -17.68 9.93 36.67 -18.33 10.01 37.35 -18.01 2 0 20.40 -999 ? HG HG A 202 >GLU.A 151 8.54 39.39 -13.55 10.11 40.02 -12.29 9.33 39.71 -12.92 2 0 15.79 -999 ? HG HG A 202 >LEU.A 152 9.66 32.25 -15.19 9.56 32.55 -17.34 9.61 32.40 -16.27 3 0 18.71 -999 ? HG HG A 202 >GLY.A 153 9.59 33.08 -10.56 10.30 33.22 -10.88 9.95 33.15 -10.72 1 0 13.85 -999 ? HG HG A 202 >GLN.A 154 14.14 30.33 -10.75 14.10 28.23 -10.29 14.12 29.28 -10.52 2 0 13.00 -999 ? HG HG A 202 >PRO.A 155 16.81 34.60 -8.44 16.05 33.90 -10.43 16.43 34.25 -9.43 3 0 9.84 -999 ? HG HG A 202 >PHE.A 156 16.29 32.30 -14.99 13.85 31.02 -14.63 15.07 31.66 -14.81 3 0 15.66 -999 ? HG HG A 202 >GLN^A 157 23.04 33.60 -12.60 21.84 32.42 -11.27 22.44 33.01 -11.93 2 0 12.32 -999 ? HG HG A 202 >PHE^A 158 21.49 34.14 -19.13 18.87 34.98 -18.56 20.18 34.56 -18.85 3 0 19.21 -999 ? HG HG A 202 >ASN^A 159 27.30 30.20 -17.78 26.40 28.44 -16.97 26.85 29.32 -17.38 2 0 20.12 -999 ? HG HG A 202 >ASN^A 160 27.96 26.85 -20.70 28.69 25.13 -21.65 28.33 25.99 -21.18 2 0 26.14 -999 ? HG HG A 202 >PHE^A 161 27.83 32.38 -23.53 26.05 33.88 -22.04 26.94 33.13 -22.78 3 0 24.72 -999 ? HG HG A 202 >ARG^A 162 29.55 24.40 -25.30 27.95 22.42 -23.54 28.75 23.41 -24.42 2 0 28.52 -999 ? HG HG A 202 >ASP.A 163 31.53 28.61 -31.30 32.56 30.24 -30.44 32.04 29.42 -30.87 2 0 34.22 -999 ? HG HG A 202 >PRO.B 2 10.35 60.82 -35.11 10.21 62.99 -34.63 10.28 61.90 -34.87 3 0 33.99 -999 ? HG HG B 202 >SER^B 3 10.85 62.89 -30.31 9.80 64.94 -29.51 10.33 63.92 -29.91 2 0 29.63 -999 ? HG HG B 202 >PHE^B 4 12.10 59.47 -26.80 14.81 58.81 -26.79 13.46 59.14 -26.80 3 0 25.44 -999 ? HG HG B 202 >ASP^B 5 10.20 63.62 -22.58 9.78 65.56 -23.39 9.99 64.59 -22.99 2 0 24.20 -999 ? HG HG B 202 >ILE^B 6 15.18 61.13 -20.93 16.39 60.36 -21.23 15.78 60.75 -21.08 3 0 20.30 -999 ? HG HG B 202 >VAL^B 7 12.44 61.95 -17.17 10.27 62.28 -17.34 11.35 62.11 -17.25 3 0 17.05 -999 ? HG HG B 202 >SER.B 8 13.26 60.71 -13.63 15.13 59.76 -12.47 14.19 60.23 -13.05 2 0 11.77 -999 ? HG HG B 202 >GLU.B 9 8.59 62.26 -12.68 7.61 62.95 -14.47 8.10 62.60 -13.58 2 0 15.85 -999 ? HG HG B 202 >ILE.B 10 10.53 60.03 -6.70 10.92 58.77 -6.11 10.73 59.40 -6.40 3 0 6.61 -999 ? HG HG B 202 >THR~B 11 6.28 58.46 -6.72 4.93 57.03 -7.60 5.61 57.74 -7.16 2 0 10.38 -999 ? HG HG B 202 >LEU~B 12 5.64 62.08 -3.76 7.13 63.06 -2.50 6.39 62.57 -3.13 3 0 9.90 -999 ? HG HG B 202 >HIS~B 13 1.35 59.06 -3.60 0.26 60.70 -4.33 0.81 59.88 -3.97 3 0 13.38 -999 ? HG HG B 202 >GLU~B 14 5.10 54.25 -4.59 6.08 53.30 -6.26 5.59 53.78 -5.42 2 0 8.89 -999 ? HG HG B 202 >VAL~B 15 8.25 57.33 -0.56 9.44 59.17 -1.10 8.85 58.25 -0.83 3 0 5.20 -999 ? HG HG B 202 >ARG~B 16 5.60 60.14 3.45 6.19 61.64 6.09 5.89 60.89 4.77 2 0 10.39 -999 ? HG HG B 201 >ASN~B 17 4.30 53.24 1.78 2.32 53.72 1.20 3.31 53.48 1.49 2 0 10.83 -999 ? HG HG B 201 >ALA~B 18 8.67 53.43 2.76 9.67 53.75 1.65 9.17 53.59 2.21 2 0 -3.59 -999 ? HG HG B 201s >VAL~B 19 9.30 56.09 5.38 9.79 58.22 5.62 9.54 57.16 5.50 3 0 5.32 -999 ? HG HG B 201 >GLU~B 20 4.47 55.31 6.47 4.00 57.35 6.15 4.24 56.33 6.31 2 0 10.16 -999 ? HG HG B 201 >ASN~B 21 7.95 50.66 5.76 8.16 48.58 5.42 8.06 49.62 5.59 2 0 8.57 -999 ? HG HG B 201 >ALA~B 22 11.15 52.18 8.02 12.09 53.08 7.24 11.62 52.63 7.63 2 0 5.43 -999 ? HG HG B 201 >ASN~B 23 9.16 55.17 11.58 10.32 56.97 11.24 9.74 56.07 11.41 2 0 9.66 -999 ? HG HG B 201 >ARG~B 24 4.93 50.70 12.83 2.95 51.22 10.42 3.94 50.96 11.63 2 0 13.51 -999 ? HG HG B 201 >VAL~B 25 11.27 48.70 11.58 12.55 47.90 10.04 11.91 48.30 10.81 3 0 10.88 -999 ? HG HG B 201 >LEU~B 26 13.49 52.61 13.36 14.89 53.90 14.51 14.19 53.26 13.94 3 0 11.79 -999 ? NA NA A 203 >SER~B 27 10.87 51.03 16.58 9.23 52.82 16.32 10.05 51.92 16.45 2 0 13.74 -999 ? NA NA B 203 >THR~B 28 11.26 47.24 16.95 10.64 46.34 15.10 10.95 46.79 16.03 2 0 9.77 -999 ? NA NA B 203 >ARG.B 29 15.54 46.51 14.71 17.17 46.30 12.04 16.36 46.41 13.38 2 0 11.92 -999 ? NA NA A 203 >TYR~B 30 15.75 45.99 23.47 15.70 46.29 26.24 15.72 46.14 24.86 3 0 8.54 -999 ? NA NA A 203 >ASP~B 31 20.57 47.92 19.54 19.85 47.93 17.51 20.21 47.92 18.53 2 0 -5.68 -999 ? NA NA A 203s >PHE~B 32 18.12 52.30 17.51 20.01 52.69 15.52 19.06 52.49 16.52 3 0 6.65 -999 ? NA NA A 203 >ARG~B 33 15.12 50.41 26.50 14.02 48.72 28.72 14.57 49.57 27.61 2 0 11.00 -999 ? NA NA A 203 >GLY.B 34 16.11 55.19 24.61 16.30 54.97 23.85 16.20 55.08 24.23 1 0 8.36 -999 ? NA NA A 203 >VAL.B 35 18.34 56.23 21.67 20.01 55.24 20.75 19.17 55.74 21.21 3 0 6.23 -999 ? NA NA A 203 >GLU.B 36 16.83 61.64 18.96 16.97 63.71 19.43 16.90 62.67 19.19 2 0 14.53 -999 ? NA NA A 203 >ALA^B 37 16.60 57.99 16.15 16.73 56.51 16.35 16.66 57.25 16.25 2 0 9.99 -999 ? NA NA A 203 >VAL^B 38 14.60 59.91 13.58 14.06 61.94 14.05 14.33 60.92 13.82 3 0 13.16 -999 ? HG HG B 201 >ILE^B 39 13.56 57.57 9.60 13.86 56.34 9.22 13.71 56.96 9.41 3 0 7.53 -999 ? HG HG B 201 >GLU^B 40 12.78 63.80 9.81 12.44 65.30 11.20 12.61 64.55 10.51 2 0 13.79 -999 ? HG HG B 201 >LEU^B 41 9.35 62.00 4.39 8.89 62.29 2.27 9.12 62.14 3.33 3 0 8.34 -999 ? HG HG B 201 >ASN^B 42 11.49 67.47 4.51 10.89 69.38 4.01 11.19 68.43 4.26 2 0 14.79 -999 ? HG HG B 201 >GLU.B 43 6.15 64.63 1.45 4.08 64.21 1.31 5.11 64.42 1.38 2 0 12.90 -999 ? HG HG B 202 >LYS.B 44 8.58 70.06 0.57 5.28 74.08 4.20 6.93 72.07 2.39 2 0 20.81 -999 ? HG HG B 201 >ASN.B 45 13.32 70.25 1.33 12.51 71.76 2.62 12.91 71.00 1.98 2 0 16.68 -999 ? HG HG B 202 >GLU.B 46 11.40 65.90 -3.70 10.74 67.32 -5.12 11.07 66.61 -4.41 2 0 12.45 -999 ? HG HG B 202 >THR^B 47 14.67 64.87 1.24 15.74 66.70 1.64 15.20 65.78 1.44 2 0 11.78 -999 ? HG HG B 202 >ILE^B 48 14.62 60.78 3.88 14.07 59.51 3.86 14.34 60.15 3.87 3 0 5.69 -999 ? HG HG B 201 >LYS^B 49 16.65 63.36 7.07 18.35 68.21 10.35 17.50 65.79 8.71 2 0 16.52 -999 ? HG HG B 201 >ILE^B 50 18.70 59.30 8.76 19.44 58.48 7.83 19.07 58.89 8.30 3 0 9.47 -999 ? HG HG B 201 >THR^B 51 19.30 61.54 12.73 19.12 63.54 13.51 19.21 62.54 13.12 2 0 15.50 -999 ? HG HG B 201 >THR^B 52 20.63 59.43 15.63 21.10 57.27 15.54 20.86 58.35 15.59 2 0 9.38 -999 ? NA NA A 203 >GLU.B 53 21.72 59.56 20.05 21.07 58.98 21.98 21.39 59.27 21.02 2 0 8.61 -999 ? NA NA A 203 >SER~B 54 26.53 57.75 16.55 26.12 55.33 16.91 26.33 56.54 16.73 2 0 7.86 -999 ? NA NA A 203 >ASP~B 55 29.64 57.23 12.69 30.03 59.24 12.15 29.83 58.23 12.42 2 0 15.13 -999 ? NA NA A 203 >PHE~B 56 27.59 50.99 14.04 26.67 48.41 13.62 27.13 49.70 13.83 3 0 9.34 -999 ? NA NA A 203 >GLN~B 57 23.34 53.31 16.78 23.23 54.02 18.79 23.29 53.67 17.79 2 0 4.77 -999 ? NA NA A 203 >LEU~B 58 24.38 57.47 11.29 23.70 59.33 10.40 24.04 58.40 10.85 3 0 13.68 -999 ? NA NA A 203 >GLU~B 59 27.17 53.52 9.06 28.87 52.40 8.65 28.02 52.96 8.86 2 0 14.83 -999 ? NA NA A 203 >GLN~B 60 23.02 49.98 12.71 22.56 49.65 14.71 22.79 49.81 13.71 2 0 7.21 -999 ? NA NA A 203 >LEU~B 61 19.02 54.72 10.56 18.28 54.98 12.58 18.65 54.85 11.57 3 0 10.92 -999 ? HG HG B 201 >ILE~B 62 21.79 54.83 5.87 22.69 55.62 5.32 22.24 55.23 5.60 3 0 9.82 -999 ? HG HG B 201 >GLU~B 63 21.01 48.17 6.12 22.61 47.06 6.83 21.81 47.62 6.48 2 0 12.66 -999 ? HG MMC A 201 >ILE~B 64 16.46 50.67 8.46 16.00 50.50 9.65 16.23 50.58 9.05 3 0 8.68 -999 ? HG HG B 201 >LEU~B 65 16.09 54.68 4.91 16.29 56.13 3.24 16.19 55.41 4.07 3 0 -3.71 -999 ? HG HG B 201s >ILE~B 66 18.77 51.37 1.40 20.04 51.48 0.83 19.41 51.43 1.12 3 0 7.32 -999 ? HG HG B 201 >GLY~B 67 15.67 48.35 2.61 15.32 49.13 2.53 15.49 48.74 2.57 1 0 7.04 -999 ? HG HG B 201 >SER~B 68 12.25 49.94 3.12 12.34 50.35 5.45 12.29 50.15 4.29 2 0 5.60 -999 ? HG HG B 201 >CYH~B 69 12.53 51.64 -0.25 13.53 54.17 -0.31 13.03 52.90 -0.28 2 0 1.98 -999 ? HG HG B 202s >ILE~B 70 15.11 47.95 -1.92 16.48 47.41 -2.52 15.80 47.68 -2.22 3 0 8.37 -999 ? HG HG B 202 >LYS~B 71 10.86 46.81 -0.63 12.09 43.85 4.86 11.48 45.33 2.11 2 0 9.82 -999 ? HG MMC A 201 >ARG~B 72 5.81 51.75 -0.78 3.90 51.62 -3.22 4.86 51.69 -2.00 2 0 10.33 -999 ? HG HG B 202 >GLY.B 73 9.88 49.75 -5.47 10.17 50.13 -4.88 10.02 49.94 -5.17 1 0 7.83 -999 ? HG HG B 202 >ILE.B 74 11.59 54.13 -3.77 11.13 55.26 -3.22 11.36 54.69 -3.50 3 0 -2.86 -999 ? HG HG B 202s >GLU~B 75 16.92 50.38 -7.10 16.84 48.64 -5.91 16.88 49.51 -6.51 2 0 8.96 -999 ? HG HG B 202 >HIS~B 76 20.68 51.98 -3.18 22.28 52.48 -1.92 21.48 52.23 -2.55 3 0 8.94 -999 ? HG HG B 202 >SER~B 77 19.63 54.74 -7.32 19.51 52.86 -8.88 19.57 53.80 -8.10 2 0 9.98 -999 ? HG HG B 202 >SER.B 78 16.88 57.27 -6.70 15.15 55.95 -7.69 16.01 56.61 -7.19 2 0 6.38 -999 ? HG HG B 202 >LEU^B 79 18.37 57.18 -2.15 16.54 56.61 -1.18 17.46 56.90 -1.66 3 0 -4.36 -999 ? HG HG B 202s >ASP^B 80 21.17 62.01 -3.86 23.04 62.92 -4.26 22.10 62.47 -4.06 2 0 12.47 -999 ? HG HG B 202 >ILE.B 81 22.91 58.38 0.74 22.60 57.23 1.34 22.76 57.80 1.04 3 0 10.07 -999 ? HG HG B 202 >PRO.B 82 23.73 63.50 2.12 24.91 61.72 1.52 24.32 62.61 1.82 3 0 13.50 -999 ? HG HG B 202 >ALA.B 83 28.95 60.51 2.03 30.15 60.98 1.18 29.55 60.75 1.61 2 0 17.91 -999 ? HG HG B 202 >GLU.B 84 31.58 63.66 6.19 33.52 63.83 5.42 32.55 63.74 5.80 2 0 22.59 -999 ? HG HG B 201 >SER.B 85 27.40 63.10 8.25 28.35 62.00 10.16 27.88 62.55 9.20 2 0 17.46 -999 ? NA NA A 203 >GLU^B 86 25.46 67.87 8.35 27.31 68.78 7.91 26.39 68.32 8.13 2 0 20.74 -999 ? HG HG B 201 >HIS^B 87 29.24 65.61 15.41 29.70 65.00 17.35 29.47 65.31 16.38 3 0 17.30 -999 ? NA NA A 203 >HIS^B 88 23.77 68.52 14.24 22.92 67.21 12.83 23.35 67.87 13.53 3 0 19.31 -999 ? NA NA A 203 >GLY.B 89 25.82 68.50 19.64 26.14 67.96 18.99 25.98 68.23 19.31 1 0 18.48 -999 ? NA NA A 203 >LYS.B 90 25.40 64.76 20.35 22.22 63.93 25.52 23.81 64.34 22.93 2 0 13.94 -999 ? NA NA A 203 >LEU^B 91 22.15 64.69 16.88 20.40 64.40 18.17 21.28 64.54 17.52 3 0 14.77 -999 ? NA NA A 203 >TYR^B 92 26.73 61.45 14.66 28.99 61.57 16.25 27.86 61.51 15.45 3 0 13.87 -999 ? NA NA A 203 >SER^B 93 22.66 63.18 10.66 22.38 65.56 10.76 22.52 64.37 10.71 2 0 16.58 -999 ? HG HG B 201 >LYS^B 94 22.37 62.89 6.90 26.87 58.75 5.34 24.62 60.82 6.12 2 0 14.71 -999 ? HG HG B 201 >GLU^B 95 19.53 67.03 5.57 18.25 68.65 5.21 18.89 67.84 5.39 2 0 15.04 -999 ? HG HG B 201 >ILE^B 96 18.60 60.72 1.87 18.75 59.64 2.11 18.68 60.18 1.99 3 0 7.75 -999 ? HG HG B 201 >LYS^B 97 18.06 63.86 -1.49 21.56 68.65 -3.75 19.81 66.26 -2.62 2 0 15.57 -999 ? HG HG B 202 >LEU^B 98 13.70 62.53 -3.06 12.41 61.39 -1.64 13.06 61.96 -2.35 3 0 6.37 -999 ? HG HG B 202 >LYS.B 99 16.12 62.08 -7.03 21.23 58.62 -8.17 18.67 60.35 -7.60 2 0 10.73 -999 ? HG HG B 202 >GLN.B 100 10.42 64.07 -8.26 9.04 63.45 -6.76 9.73 63.76 -7.51 2 0 10.28 -999 ? HG HG B 202 >GLY.B 101 14.01 64.96 -11.82 14.49 64.39 -11.46 14.25 64.68 -11.64 1 0 13.85 -999 ? HG HG B 202 >ILE.B 102 17.28 64.39 -15.28 17.35 63.32 -16.29 17.31 63.86 -15.79 3 0 16.88 -999 ? HG HG B 202 >GLU~B 103 19.03 68.06 -10.26 19.89 67.59 -8.39 19.46 67.82 -9.32 2 0 15.25 -999 ? HG HG B 202 >THR~B 104 22.30 68.96 -14.90 22.78 70.93 -15.28 22.54 69.94 -15.09 2 0 22.61 -999 ? HG HG B 202 >GLU~B 105 27.12 65.52 -12.96 28.01 65.41 -11.06 27.57 65.47 -12.01 2 0 20.05 -999 ? HG HG B 202 >MET~B 106 23.11 63.75 -14.82 22.63 60.52 -14.66 22.87 62.14 -14.74 2 0 16.79 -999 ? HG HG B 202 >ALA~B 107 21.62 65.45 -17.94 20.89 66.79 -17.90 21.25 66.12 -17.92 2 0 21.16 -999 ? HG HG B 202 >LYS~B 108 25.15 66.04 -19.24 27.75 70.89 -20.65 26.45 68.46 -19.94 2 0 28.37 -999 ? HG HG B 202 >LYS~B 109 26.01 62.36 -18.73 27.00 60.11 -12.96 26.50 61.24 -15.85 2 0 18.37 -999 ? HG HG B 202 >ILE~B 110 21.50 61.95 -20.60 20.13 61.60 -20.42 20.81 61.78 -20.51 3 0 21.26 -999 ? HG HG B 202 >THR~B 111 23.79 64.02 -23.61 23.37 65.98 -22.93 23.58 65.00 -23.27 2 0 25.76 -999 ? HG HG B 202 >LYS~B 112 27.43 62.87 -23.70 32.54 63.20 -25.11 29.99 63.03 -24.40 2 0 31.32 -999 ? HG HG B 202 >LEU~B 113 25.70 58.44 -22.86 25.50 56.22 -22.94 25.60 57.33 -22.90 3 0 24.67 -999 ? HG HG B 202 >VAL~B 114 24.01 60.19 -26.84 22.03 60.88 -27.06 23.02 60.54 -26.95 3 0 27.60 -999 ? HG HG B 202 >LYS~B 115 26.73 62.22 -28.68 28.16 66.66 -25.25 27.44 64.44 -26.97 2 0 30.04 -999 ? HG HG B 202 >ASP~B 116 29.80 58.54 -27.28 30.93 59.76 -26.05 30.37 59.15 -26.67 2 0 30.44 -999 ? HG HG B 202 >SER~B 117 26.78 56.80 -29.85 24.59 57.74 -29.87 25.68 57.27 -29.86 2 0 30.52 -999 ? HG HG B 202 >LYS~B 118 26.89 58.61 -33.11 31.99 60.04 -32.20 29.44 59.33 -32.65 2 0 36.13 -999 ? HG HG B 202 >ILE.B 119 22.10 57.62 -32.44 21.16 56.64 -32.07 21.63 57.13 -32.25 3 0 31.81 -999 ? HG HG B 202 >LYS.B 120 21.63 61.07 -35.45 24.51 60.98 -39.64 23.07 61.02 -37.54 2 0 40.02 -999 ? HG HG B 202 >VAL^B 121 19.64 62.78 -32.74 19.16 60.99 -31.56 19.40 61.88 -32.15 3 0 31.77 -999 ? HG HG B 202 >GLN^B 122 18.31 67.57 -32.51 16.82 68.72 -31.44 17.56 68.15 -31.98 2 0 32.78 -999 ? HG HG B 202 >THR^B 123 19.35 66.59 -27.27 20.88 65.34 -26.52 20.11 65.97 -26.90 2 0 -27.80 -999 ? HG HG B 202s >GLN^B 124 16.85 70.61 -27.35 15.11 71.25 -28.37 15.98 70.93 -27.86 2 0 31.04 -999 ? HG HG B 202 >ILE^B 125 19.56 70.01 -20.82 20.67 69.69 -19.96 20.11 69.85 -20.39 3 0 24.53 -999 ? HG HG B 202 >GLN^B 126 13.84 70.27 -22.71 12.29 70.53 -24.24 13.06 70.40 -23.48 2 0 27.12 -999 ? HG HG B 202 >GLY.B 127 14.57 72.08 -16.90 15.10 71.52 -17.33 14.84 71.80 -17.12 1 0 22.50 -999 ? HG HG B 202 >GLU.B 128 15.20 69.36 -12.83 14.93 68.81 -10.83 15.07 69.09 -11.83 2 0 16.17 -999 ? HG HG B 202 >GLN^B 129 11.64 66.72 -17.98 9.81 66.52 -19.04 10.72 66.62 -18.51 2 0 20.85 -999 ? HG HG B 202 >VAL^B 130 16.07 65.60 -21.49 18.11 64.99 -21.59 17.09 65.29 -21.54 3 0 22.48 -999 ? HG HG B 202 >ARG^B 131 11.42 67.72 -26.64 8.93 68.97 -24.89 10.18 68.34 -25.76 2 0 27.18 -999 ? HG HG B 202 >VAL^B 132 15.71 63.61 -27.56 16.78 61.74 -27.20 16.25 62.68 -27.38 3 0 26.89 -999 ? HG HG B 202 >THR^B 133 14.77 64.54 -31.16 13.71 66.33 -31.53 14.24 65.43 -31.34 2 0 31.79 -999 ? HG HG B 202 >GLY^B 134 15.54 63.01 -34.53 14.71 63.12 -34.49 15.13 63.06 -34.51 1 0 33.82 -999 ? HG HG B 202 >LYS.B 135 14.28 62.35 -38.00 16.34 65.80 -42.71 15.31 64.07 -40.36 2 0 42.46 -999 ? HG HG B 202 >SER~B 136 14.15 58.60 -37.62 15.08 56.41 -37.46 14.62 57.50 -37.54 2 0 35.92 -999 ? HG HG B 202 >ARG~B 137 8.48 55.05 -35.21 6.62 53.93 -37.34 7.55 54.49 -36.28 2 0 36.40 -999 ? HG HG B 202 >ASP~B 138 14.91 53.27 -36.53 13.64 51.89 -37.49 14.27 52.58 -37.01 2 0 36.09 -999 ? HG HG B 202 >ASP~B 139 17.78 57.16 -34.58 18.62 56.85 -36.48 18.20 57.00 -35.53 2 0 35.31 -999 ? HG HG B 202 >LEU~B 140 13.45 57.88 -31.31 13.16 60.03 -31.69 13.30 58.95 -31.50 3 0 30.08 -999 ? HG HG B 202 >GLN~B 141 11.90 52.86 -31.06 10.82 52.26 -29.32 11.36 52.56 -30.19 2 0 28.03 -999 ? HG HG B 202 >ALA~B 142 17.93 52.78 -30.43 18.87 52.93 -31.58 18.40 52.86 -31.01 2 0 30.62 -999 ? HG HG B 202 >VAL~B 143 18.59 55.80 -28.10 18.81 58.01 -28.10 18.70 56.91 -28.10 3 0 27.09 -999 ? HG HG B 202 >ILE~B 144 14.74 54.17 -25.66 13.46 54.40 -25.41 14.10 54.28 -25.53 3 0 23.99 -999 ? HG HG B 202 >GLN~B 145 16.93 49.14 -26.77 16.79 48.07 -24.95 16.86 48.61 -25.86 2 0 24.80 -999 ? HG HG B 202 >LEU~B 146 21.62 53.96 -26.24 23.54 54.85 -26.69 22.58 54.40 -26.46 3 0 26.58 -999 ? HG HG B 202 >VAL~B 147 20.22 54.89 -22.25 19.43 56.90 -22.01 19.82 55.90 -22.13 3 0 21.55 -999 ? HG HG B 202 >LYS~B 148 18.60 51.74 -20.77 12.43 51.43 -22.13 15.52 51.58 -21.45 2 0 20.98 -999 ? HG HG B 202 >SER~B 149 21.81 49.74 -21.12 23.32 49.43 -22.99 22.56 49.59 -22.05 2 0 24.43 -999 ? HG HG B 202 >ALA~B 150 24.08 52.37 -19.61 24.12 53.83 -20.06 24.10 53.10 -19.83 2 0 21.49 -999 ? HG HG B 202 >GLU.B 151 25.26 50.44 -15.32 24.18 49.19 -14.01 24.72 49.82 -14.66 2 0 17.73 -999 ? HG HG B 202 >LEU.B 152 23.60 57.56 -16.41 24.25 57.75 -18.51 23.93 57.66 -17.46 3 0 19.21 -999 ? HG HG B 202 >GLY.B 153 23.51 56.64 -11.75 22.86 56.64 -12.21 23.19 56.64 -11.98 1 0 14.45 -999 ? HG HG B 202 >GLN.B 154 18.53 59.41 -12.19 18.51 61.51 -11.79 18.52 60.46 -11.99 2 0 12.87 -999 ? HG HG B 202 >PRO.B 155 15.73 55.70 -10.76 17.12 55.84 -12.54 16.42 55.77 -11.65 3 0 10.53 -999 ? HG HG B 202 >PHE.B 156 17.15 57.73 -16.99 19.49 59.00 -16.29 18.32 58.36 -16.64 3 0 16.09 -999 ? HG HG B 202 >GLN^B 157 10.14 56.25 -15.57 11.37 57.26 -14.25 10.76 56.75 -14.91 2 0 12.89 -999 ? HG HG B 202 >PHE^B 158 12.57 56.17 -21.84 15.29 55.68 -21.32 13.93 55.93 -21.58 3 0 20.00 -999 ? HG HG B 202 >ASN^B 159 6.68 59.64 -21.00 7.28 61.38 -20.05 6.98 60.51 -20.53 2 0 20.24 -999 ? HG HG B 202 >ASN^B 160 6.45 63.50 -23.80 5.68 65.24 -24.68 6.07 64.37 -24.24 2 0 26.13 -999 ? HG HG B 202 >PHE^B 161 7.18 58.16 -27.19 8.89 56.63 -25.69 8.03 57.40 -26.44 3 0 25.45 -999 ? HG HG B 202 >ARG^B 162 6.16 65.88 -28.04 5.10 68.58 -26.66 5.63 67.23 -27.35 2 0 29.37 -999 ? HG HG B 202 >ASP.B 163 4.20 63.16 -35.16 2.74 61.63 -34.99 3.47 62.39 -35.08 2 0 35.52 -999 ? HG HG B 202