REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-NOV-07 3BHW COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MAGNETOSPIRILLUM MAGNETICUM; SOURCE 3 ORGANISM_TAXID: 342108; SOURCE 4 STRAIN: AMB-1; SOURCE 5 ATCC: 700264; SOURCE 6 GENE: AMB2038; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PET; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,M.DICKEY,K.T.BAIN,C.LAU,R.ROMERO,D.SMITH,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) >PRO.A 4 44.36 26.37 14.42 44.39 27.29 12.34 44.37 26.83 13.38 3 0 1000.00 -999 ? >ARG.A 5 48.60 26.23 5.90 47.82 24.55 3.43 48.21 25.39 4.66 2 0 1000.00 -999 ? >TYR.A 6 51.07 24.09 9.43 51.73 24.45 6.73 51.40 24.27 8.08 3 0 1000.00 -999 ? >LYS.A 7 48.48 21.61 14.23 42.61 21.76 12.60 45.54 21.69 13.42 2 0 1000.00 -999 ? >ALA~A 8 50.36 19.22 16.44 51.01 19.73 17.72 50.69 19.48 17.08 2 0 1000.00 -999 ? >ASP~A 9 46.28 16.43 16.12 44.99 17.82 17.08 45.63 17.12 16.60 2 0 1000.00 -999 ? >ILE~A 10 50.55 14.74 13.09 51.09 14.59 12.25 50.82 14.67 12.67 3 0 1000.00 -999 ? >GLY~A 11 52.44 13.95 17.21 51.70 13.67 17.27 52.07 13.81 17.24 1 0 1000.00 -999 ? >GLY~A 12 50.14 11.81 19.36 50.59 11.55 18.74 50.37 11.68 19.05 1 0 1000.00 -999 ? >GLY~A 13 51.30 8.68 17.53 51.20 9.23 16.95 51.25 8.96 17.24 1 0 1000.00 -999 ? >SER.A 14 52.75 7.09 14.42 54.17 5.29 15.19 53.46 6.19 14.80 2 0 1000.00 -999 ? >LEU.A 15 51.26 4.30 10.72 51.50 5.75 9.09 51.38 5.03 9.91 3 0 1000.00 -999 ? >LYS~A 16 50.62 1.78 14.45 52.45 2.67 19.40 51.53 2.22 16.93 2 0 1000.00 -999 ? >LEU~A 17 49.87 -1.46 10.94 48.77 -2.32 9.29 49.32 -1.89 10.12 3 0 1000.00 -999 ? >PRO~A 18 50.42 -3.95 14.79 48.51 -2.97 14.11 49.47 -3.46 14.45 3 0 1000.00 -999 ? >GLU~A 19 47.23 -0.32 18.69 49.30 -0.64 18.49 48.26 -0.48 18.59 2 0 1000.00 -999 ? >SER~A 20 44.73 0.64 13.46 46.04 2.61 12.81 45.38 1.63 13.14 2 0 1000.00 -999 ? >ARG~A 21 45.63 -5.39 10.56 46.72 -5.89 7.72 46.18 -5.64 9.14 2 0 1000.00 -999 ? >ILE~A 22 41.92 -3.38 16.75 42.21 -4.09 17.85 42.07 -3.73 17.30 3 0 1000.00 -999 ? >ILE~A 23 40.75 1.65 15.26 41.19 2.73 15.93 40.97 2.19 15.59 3 0 1000.00 -999 ? >ALA~A 24 39.16 -0.26 11.33 40.18 -0.59 10.25 39.67 -0.42 10.79 2 0 1000.00 -999 ? >GLY~A 25 37.27 -3.40 12.42 37.18 -2.61 12.61 37.22 -3.01 12.51 1 0 1000.00 -999 ? >LEU~A 26 35.74 -0.62 16.07 35.90 -1.32 18.09 35.82 -0.97 17.08 3 0 1000.00 -999 ? >LEU~A 27 35.51 2.07 11.40 36.16 4.02 12.18 35.84 3.05 11.79 3 0 1000.00 -999 ? >LEU~A 28 34.28 -2.58 9.09 35.44 -2.13 7.29 34.86 -2.35 8.19 3 0 1000.00 -999 ? >GLU~A 29 31.74 -3.15 14.98 32.29 -4.36 16.68 32.02 -3.76 15.83 2 0 1000.00 -999 ? >GLY~A 30 29.48 -0.08 13.43 29.77 -0.65 14.04 29.63 -0.36 13.74 1 0 1000.00 -999 ? >VAL.A 31 29.23 0.93 17.09 31.04 0.03 17.97 30.14 0.48 17.53 3 0 1000.00 -999 ? >THR~A 32 27.66 3.85 18.96 26.15 3.16 20.34 26.90 3.51 19.65 2 0 1000.00 -999 ? >GLU~A 33 28.52 8.52 20.67 27.49 9.12 18.95 28.01 8.82 19.81 2 0 1000.00 -999 ? >ASP~A 34 28.17 5.21 24.52 27.34 7.09 25.03 27.76 6.15 24.78 2 0 1000.00 -999 ? >GLN~A 35 29.91 -0.53 21.74 30.18 -1.52 23.62 30.04 -1.03 22.68 2 0 1000.00 -999 ? >TRP~A 36 35.28 6.03 20.48 38.18 4.08 18.69 36.73 5.05 19.58 3 0 1000.00 -999 ? >ARG~A 37 34.55 8.16 25.10 35.22 9.06 27.99 34.89 8.61 26.54 2 0 1000.00 -999 ? >HIS~A 38 32.31 -0.52 27.13 32.25 -2.13 28.46 32.28 -1.32 27.79 3 0 1000.00 -999 ? >ALA~A 39 35.55 -1.03 23.60 35.20 -1.10 22.09 35.38 -1.06 22.84 2 0 1000.00 -999 ? >ILE~A 40 39.04 2.39 23.30 40.08 2.27 22.26 39.56 2.33 22.78 3 0 1000.00 -999 ? >GLU~A 41 38.34 4.42 27.12 37.15 6.07 27.68 37.75 5.24 27.40 2 0 1000.00 -999 ? >VAL~A 42 36.99 -0.94 29.31 35.15 -0.32 30.43 36.07 -0.63 29.87 3 0 1000.00 -999 ? >GLU.A 43 34.61 -4.31 26.09 33.43 -4.79 24.39 34.02 -4.55 25.24 2 0 1000.00 -999 ? >ASN.A 44 41.32 -3.60 27.38 43.43 -3.30 27.27 42.38 -3.45 27.33 2 0 1000.00 -999 ? >VAL.A 45 40.42 -4.11 22.52 38.58 -3.30 21.60 39.50 -3.71 22.06 3 0 1000.00 -999 ? >LEU.A 46 44.28 -1.20 21.78 43.48 0.03 20.16 43.88 -0.58 20.97 3 0 1000.00 -999 ? >GLN.A 47 44.87 -6.99 23.16 43.23 -7.59 24.41 44.05 -7.29 23.78 2 0 1000.00 -999 ? >ARG.A 48 47.82 0.87 25.65 48.28 1.32 22.65 48.05 1.09 24.15 2 0 1000.00 -999 ? >ALA~A 54 45.67 5.58 26.12 45.04 4.57 27.08 45.35 5.07 26.60 2 0 1000.00 -999 ? >LYS~A 55 42.45 7.37 25.12 38.71 7.51 30.11 40.58 7.44 27.61 2 0 1000.00 -999 ? >ARG~A 56 45.34 13.20 25.22 48.17 13.30 24.02 46.75 13.25 24.62 2 0 1000.00 -999 ? >GLN~A 57 48.17 6.35 20.48 49.24 4.77 21.48 48.71 5.56 20.98 2 0 1000.00 -999 ? >SER~A 58 43.05 5.78 20.03 43.07 4.16 21.81 43.06 4.97 20.92 2 0 1000.00 -999 ? >SER~A 59 41.07 8.92 19.25 41.87 10.92 20.50 41.47 9.92 19.87 2 0 1000.00 -999 ? >LEU~A 60 45.30 10.24 17.30 46.85 11.13 16.03 46.07 10.69 16.66 3 0 1000.00 -999 ? >MET~A 61 44.05 6.63 15.04 46.59 3.78 16.79 45.32 5.20 15.91 2 0 1000.00 -999 ? >ARG~A 62 36.71 6.84 16.39 33.69 7.07 16.90 35.20 6.95 16.64 2 0 1000.00 -999 ? >ASN~A 63 40.55 11.55 14.47 39.23 11.97 16.06 39.89 11.76 15.27 2 0 1000.00 -999 ? >ARG~A 64 46.40 9.04 11.88 49.11 9.40 13.34 47.76 9.22 12.61 2 0 1000.00 -999 ? >LEU~A 65 40.45 5.17 10.13 41.79 3.49 10.13 41.12 4.33 10.13 3 0 1000.00 -999 ? >GLU.A 66 36.19 8.01 11.93 35.15 8.66 13.67 35.67 8.34 12.80 2 0 1000.00 -999 ? >THR.A 67 38.69 11.00 7.12 40.79 11.68 7.49 39.74 11.34 7.31 2 0 1000.00 -999 ? >MET.A 68 38.29 7.99 4.72 40.80 8.87 2.79 39.55 8.43 3.75 2 0 1000.00 -999 ? >GLY~A 69 35.51 5.56 3.91 36.22 5.17 4.04 35.86 5.36 3.98 1 0 1000.00 -999 ? >PRO~A 70 32.33 2.70 4.46 34.55 2.63 4.25 33.44 2.66 4.36 3 0 1000.00 -999 ? >GLU~A 71 36.63 -0.03 -1.05 36.92 0.55 -3.09 36.78 0.26 -2.07 2 0 1000.00 -999 ? >LEU~A 72 40.16 3.45 2.91 41.78 4.36 3.90 40.97 3.90 3.40 3 0 1000.00 -999 ? >TRP~A 73 37.94 3.52 7.39 34.13 4.03 8.20 36.04 3.77 7.79 3 0 1000.00 -999 ? >GLN~A 74 37.12 -4.53 3.61 35.33 -5.10 4.65 36.22 -4.81 4.13 2 0 1000.00 -999 ? >MET~A 75 41.97 -2.30 3.35 43.13 -0.08 -0.05 42.55 -1.19 1.65 2 0 1000.00 -999 ? >VAL~A 76 43.34 -1.44 6.78 43.56 0.39 7.93 43.45 -0.53 7.36 3 0 1000.00 -999 ? >ARG~A 77 38.23 -5.87 9.72 35.88 -6.49 7.84 37.06 -6.18 8.78 2 0 1000.00 -999 ? >ASP~A 78 40.80 -7.31 4.98 39.04 -7.59 6.15 39.92 -7.45 5.57 2 0 1000.00 -999 ? >GLY~A 79 44.92 -6.05 3.58 45.07 -6.27 4.35 45.00 -6.16 3.96 1 0 1000.00 -999 ? >SER~A 80 48.51 -7.16 3.50 49.56 -6.25 1.50 49.04 -6.70 2.50 2 0 1000.00 -999 ? >THR~A 81 51.07 -5.46 5.67 52.54 -6.22 7.03 51.81 -5.84 6.35 2 0 1000.00 -999 ? >GLN~A 82 53.60 -2.14 0.93 55.34 -1.13 1.67 54.47 -1.64 1.30 2 0 1000.00 -999 ? >VAL~A 83 48.75 -2.35 1.57 47.45 -3.27 0.03 48.10 -2.81 0.80 3 0 1000.00 -999 ? >ALA~A 84 47.27 -1.73 5.05 47.03 -2.83 6.14 47.15 -2.28 5.60 2 0 1000.00 -999 ? >ILE~A 85 51.60 0.12 6.53 52.37 0.30 7.05 51.99 0.21 6.79 3 0 1000.00 -999 ? >GLN~A 86 51.73 1.86 1.55 52.32 1.10 -0.35 52.03 1.48 0.60 2 0 1000.00 -999 ? >ALA~A 87 46.17 3.07 3.60 45.16 1.94 3.67 45.67 2.51 3.63 2 0 1000.00 -999 ? >VAL~A 88 46.85 4.16 7.15 47.00 3.23 9.06 46.93 3.70 8.11 3 0 1000.00 -999 ? >PHE~A 89 51.73 7.13 4.50 53.70 8.94 3.63 52.72 8.04 4.06 3 0 1000.00 -999 ? >ALA~A 90 47.01 8.12 3.37 46.19 7.35 2.34 46.60 7.74 2.86 2 0 1000.00 -999 ? >ALA~A 91 44.59 8.60 6.24 43.95 7.48 7.07 44.27 8.04 6.66 2 0 1000.00 -999 ? >ALA~A 92 47.39 10.20 8.29 48.63 9.58 8.76 48.01 9.89 8.52 2 0 1000.00 -999 ? >ILE~A 93 48.64 12.25 4.05 49.58 12.20 3.08 49.11 12.22 3.56 3 0 1000.00 -999 ? >LYS~A 94 44.47 13.54 4.96 38.68 12.51 2.74 41.57 13.02 3.85 2 0 1000.00 -999 ? >HIS~A 95 44.05 13.47 11.16 44.05 14.04 13.18 44.05 13.76 12.17 3 0 1000.00 -999 ? >SER~A 96 47.37 16.26 8.95 49.55 16.41 10.04 48.46 16.33 9.49 2 0 1000.00 -999 ? >THR~A 97 48.35 19.25 6.74 47.21 20.93 5.96 47.78 20.09 6.35 2 0 1000.00 -999 ? >LEU~A 98 51.68 19.45 10.34 53.31 20.02 11.56 52.49 19.74 10.95 3 0 1000.00 -999 ? >LEU~A 99 51.89 14.60 8.01 52.78 12.62 7.68 52.33 13.61 7.84 3 0 1000.00 -999 ? >GLY~A 100 51.19 16.37 4.05 51.72 16.84 4.47 51.46 16.61 4.26 1 0 1000.00 -999 ? >ASP~A 101 52.66 21.08 4.18 50.99 22.03 3.33 51.82 21.55 3.76 2 0 1000.00 -999 ? >PHE~A 102 57.91 17.12 6.47 60.65 16.68 7.05 59.28 16.90 6.76 3 0 1000.00 -999 ? >LEU~A 103 54.80 14.57 2.03 54.78 12.74 3.18 54.79 13.65 2.60 3 0 1000.00 -999 ? >ASP~A 104 53.43 18.81 -0.41 52.69 19.65 -2.26 53.06 19.23 -1.34 2 0 1000.00 -999 ? >LEU~A 105 56.64 22.11 0.87 54.75 23.11 0.46 55.69 22.61 0.67 3 0 1000.00 -999 ? >VAL~A 106 60.28 19.31 1.37 60.85 19.17 3.51 60.56 19.24 2.44 3 0 1000.00 -999 ? >VAL~A 107 60.48 15.53 0.90 59.92 13.85 2.14 60.20 14.69 1.52 3 0 1000.00 -999 ? >ARG~A 108 57.11 17.39 -5.36 54.54 15.80 -4.99 55.83 16.59 -5.17 2 0 1000.00 -999 ? >ASP~A 109 62.28 19.70 -3.32 62.93 20.84 -5.01 62.60 20.27 -4.17 2 0 1000.00 -999 ? >GLN~A 110 64.92 16.59 0.75 66.77 17.68 0.65 65.84 17.14 0.70 2 0 1000.00 -999 ? >PHE~A 111 62.73 11.50 -3.42 62.26 9.49 -1.55 62.50 10.49 -2.49 3 0 1000.00 -999 ? >ARG.A 112 65.27 18.41 -8.99 65.81 20.57 -11.02 65.54 19.49 -10.01 2 0 1000.00 -999 ? >MET.A 113 69.38 15.18 -5.01 69.50 15.75 -1.00 69.44 15.46 -3.00 2 0 1000.00 -999 ? >PHE.A 114 72.62 10.61 -7.31 72.43 7.99 -8.32 72.52 9.30 -7.81 3 0 1000.00 -999 ? >ARG.A 115 74.02 7.75 -2.54 75.98 5.52 -3.32 75.00 6.63 -2.93 2 0 1000.00 -999 ? >PRO.A 116 67.22 11.19 -3.17 68.87 11.59 -1.69 68.04 11.39 -2.43 3 0 1000.00 -999 ? >ASP.A 117 69.80 12.56 3.16 70.79 14.42 2.92 70.30 13.49 3.04 2 0 1000.00 -999 ? >LEU.A 118 64.79 13.45 5.04 62.85 14.48 4.95 63.82 13.97 4.99 3 0 1000.00 -999 ? >PRO~A 119 69.55 16.51 6.53 68.05 15.10 7.35 68.80 15.80 6.94 3 0 1000.00 -999 ? >ARG~A 120 65.02 14.52 13.35 63.70 12.55 15.31 64.36 13.54 14.33 2 0 1000.00 -999 ? >LYS~A 121 67.58 20.26 10.35 71.89 22.36 8.33 69.74 21.31 9.34 2 0 1000.00 -999 ? >MET~A 122 65.14 19.99 7.37 66.50 18.57 3.96 65.82 19.28 5.67 2 0 1000.00 -999 ? >TRP~A 123 60.97 18.61 12.83 57.41 17.99 11.31 59.19 18.30 12.07 3 0 1000.00 -999 ? >ASP~A 124 64.88 22.20 12.48 65.18 21.34 14.38 65.03 21.77 13.43 2 0 1000.00 -999 ? >GLN~A 125 66.11 24.69 8.78 67.71 24.14 7.45 66.91 24.41 8.11 2 0 1000.00 -999 ? >TYR~A 126 58.38 21.67 7.28 55.64 21.12 7.00 57.01 21.39 7.14 3 0 1000.00 -999 ? >LEU~A 127 58.96 23.57 12.51 57.67 22.02 13.23 58.32 22.79 12.87 3 0 1000.00 -999 ? >GLU~A 128 62.62 27.93 12.06 64.68 28.39 11.79 63.65 28.16 11.93 2 0 1000.00 -999 ? >GLN~A 129 58.92 28.06 5.13 60.86 28.83 4.69 59.89 28.44 4.91 2 0 1000.00 -999 ? >CYH~A 130 55.21 26.79 8.92 55.10 23.99 8.50 55.16 25.39 8.71 2 0 1000.00 -999 ? >ARG~A 131 55.51 28.85 15.02 53.87 27.62 17.32 54.69 28.24 16.17 2 0 1000.00 -999 ? >ASN~A 132 57.12 32.06 8.14 57.25 33.66 6.74 57.18 32.86 7.44 2 0 1000.00 -999 ? >ARG~A 133 53.85 28.35 4.17 55.44 25.77 4.72 54.64 27.06 4.44 2 0 1000.00 -999 ? >ASP~A 134 50.34 28.87 10.14 48.47 28.51 11.09 49.40 28.69 10.62 2 0 1000.00 -999 ? >PRO.A 135 49.81 34.60 10.28 50.23 32.90 11.67 50.02 33.75 10.98 3 0 1000.00 -999 ? >LEU.A 136 46.21 31.08 13.42 44.64 32.58 13.08 45.42 31.83 13.25 3 0 1000.00 -999 ? >MET.A 137 49.79 28.24 14.81 52.95 26.52 12.81 51.37 27.38 13.81 2 0 1000.00 -999 ? >ASP~A 142 61.22 21.85 24.66 62.30 23.58 24.08 61.76 22.72 24.37 2 0 1000.00 -999 ? >SER~A 143 58.79 18.19 24.91 56.85 17.84 26.35 57.82 18.01 25.63 2 0 1000.00 -999 ? >THR~A 144 55.90 18.28 22.40 53.93 19.15 22.48 54.91 18.71 22.44 2 0 1000.00 -999 ? >ALA~A 145 58.19 19.47 19.58 59.07 20.73 19.63 58.63 20.10 19.61 2 0 1000.00 -999 ? >ASN~A 146 61.58 16.46 21.36 63.03 18.00 21.46 62.30 17.23 21.41 2 0 1000.00 -999 ? >LYS~A 147 57.98 13.95 20.35 56.25 11.60 25.82 57.12 12.78 23.09 2 0 1000.00 -999 ? >LEU~A 148 56.14 17.06 17.14 54.62 17.88 15.82 55.38 17.47 16.48 3 0 1000.00 -999 ? >ALA~A 149 59.65 15.27 15.14 60.96 15.99 15.47 60.31 15.63 15.30 2 0 1000.00 -999 ? >ASP~A 150 60.33 11.31 17.84 62.26 11.66 18.69 61.29 11.48 18.26 2 0 1000.00 -999 ? >CYH~A 151 56.70 10.77 15.33 53.98 10.47 15.28 55.34 10.62 15.30 2 0 1000.00 -999 ? >VAL~A 152 56.97 12.23 11.84 56.66 14.12 10.87 56.81 13.18 11.36 3 0 1000.00 -999 ? >TYR~A 153 62.26 11.96 11.11 63.49 14.14 9.81 62.88 13.05 10.46 3 0 1000.00 -999 ? >ARG~A 154 57.93 5.45 15.98 56.72 7.81 17.56 57.33 6.63 16.77 2 0 1000.00 -999 ? >ILE~A 155 54.99 8.62 10.00 53.69 9.18 9.97 54.34 8.90 9.98 3 0 1000.00 -999 ? >LEU~A 156 59.29 9.05 7.16 58.51 10.87 6.22 58.90 9.96 6.69 3 0 1000.00 -999 ? >VAL~A 157 60.41 4.81 8.62 61.89 4.31 10.19 61.15 4.56 9.40 3 0 1000.00 -999 ? >GLU~A 158 56.06 2.91 11.15 54.31 3.62 12.19 55.18 3.26 11.67 2 0 1000.00 -999 ? >VAL~A 159 56.11 3.48 5.27 55.58 5.23 4.05 55.85 4.36 4.66 3 0 1000.00 -999 ? >GLY.A 160 59.69 2.94 4.11 59.46 3.70 4.11 59.57 3.32 4.11 1 0 1000.00 -999 ? >TYR.A 161 58.88 8.06 1.93 57.01 8.73 -0.13 57.94 8.39 0.90 3 0 1000.00 -999 ? >ILE.A 162 63.51 7.36 6.70 63.85 8.57 7.46 63.68 7.96 7.08 3 0 1000.00 -999 ? >THR.A 167 71.86 8.23 7.36 71.93 6.41 6.14 71.90 7.32 6.75 2 0 1000.00 -999 ? >TYR.A 168 67.84 11.08 9.15 67.42 11.10 11.88 67.63 11.09 10.51 3 0 1000.00 -999 ? >ARG.A 169 71.58 7.69 1.27 69.72 6.89 -1.06 70.65 7.29 0.10 2 0 1000.00 -999 ? >LEU.A 170 64.97 9.83 0.98 63.63 11.28 1.84 64.30 10.55 1.41 3 0 1000.00 -999 ? >LYS.A 171 64.29 5.72 -0.73 63.58 0.15 -2.96 63.94 2.94 -1.84 2 0 1000.00 -999 ? >SER.A 172 61.49 5.69 -3.22 62.23 4.50 -5.20 61.86 5.09 -4.21 2 0 1000.00 -999 ? >VAL.A 173 58.41 3.71 -2.25 58.24 4.48 -0.19 58.32 4.10 -1.22 3 0 1000.00 -999 ? >ARG.A 174 54.31 1.28 -7.51 51.92 -0.75 -7.45 53.12 0.26 -7.48 2 0 1000.00 -999 ? >ILE.A 175 51.51 4.37 -3.10 51.39 4.46 -1.66 51.45 4.42 -2.38 3 0 1000.00 -999 ? >SER~A 176 50.06 0.03 -3.91 48.47 -0.26 -2.14 49.26 -0.11 -3.02 2 0 1000.00 -999 ? >GLY~A 177 47.70 0.25 -6.84 47.53 0.07 -6.04 47.61 0.16 -6.44 1 0 1000.00 -999 ? >GLU~A 178 43.59 -2.48 -3.21 43.93 -4.34 -2.32 43.76 -3.41 -2.77 2 0 1000.00 -999 ? >VAL~A 179 45.47 2.33 -2.32 46.68 2.76 -0.61 46.08 2.54 -1.46 3 0 1000.00 -999 ? >MET~A 180 45.98 4.67 -5.27 48.79 6.44 -4.73 47.38 5.56 -5.00 2 0 1000.00 -999 ? >SER~A 181 42.74 3.46 -6.94 41.17 1.84 -8.03 41.96 2.65 -7.48 2 0 1000.00 -999 ? >TYR~A 182 40.17 4.34 -1.28 38.55 5.75 0.54 39.36 5.04 -0.37 3 0 1000.00 -999 ? >LEU~A 183 43.82 8.03 -3.32 44.82 8.18 -1.35 44.32 8.11 -2.33 3 0 1000.00 -999 ? >ARG~A 184 44.27 7.94 -9.98 46.64 6.05 -9.61 45.45 6.99 -9.79 2 0 1000.00 -999 ? >GLU~A 185 38.25 4.88 -8.09 37.93 2.78 -7.88 38.09 3.83 -7.99 2 0 1000.00 -999 ? >ASN~A 186 37.66 8.70 -2.56 36.43 7.02 -2.31 37.05 7.86 -2.43 2 0 1000.00 -999 ? >ASN.A 187 37.55 13.29 -5.40 36.05 12.35 -6.53 36.80 12.82 -5.96 2 0 1000.00 -999 ? >GLU~A 188 40.79 10.97 -1.22 39.90 12.10 0.31 40.35 11.54 -0.45 2 0 1000.00 -999 ? >GLN~A 189 41.76 16.73 -5.89 41.26 15.32 -7.42 41.51 16.03 -6.66 2 0 1000.00 -999 ? >TYR~A 190 46.16 17.69 0.49 48.09 18.56 2.35 47.13 18.12 1.42 3 0 1000.00 -999 ? >VAL~A 191 46.53 13.00 -0.41 45.62 11.70 1.01 46.08 12.35 0.30 3 0 1000.00 -999 ? >ILE~A 192 46.56 11.97 -5.18 45.83 11.39 -6.25 46.19 11.68 -5.72 3 0 1000.00 -999 ? >ARG~A 193 50.21 18.67 -4.30 50.99 20.27 -6.75 50.60 19.47 -5.53 2 0 1000.00 -999 ? >CYH~A 194 51.57 14.19 -0.95 50.35 16.38 0.41 50.96 15.28 -0.27 2 0 1000.00 -999 ? >ILE~A 195 50.35 9.46 -0.77 49.67 8.28 -0.96 50.01 8.87 -0.86 3 0 1000.00 -999 ? >GLN~A 196 54.07 8.22 -5.86 54.39 6.20 -5.19 54.23 7.21 -5.52 2 0 1000.00 -999 ? >VAL.A 197 56.70 12.13 -3.88 56.58 12.95 -1.81 56.64 12.54 -2.84 3 0 1000.00 -999 ? >SER.A 198 59.37 9.87 -5.40 59.04 7.61 -4.71 59.20 8.74 -5.06 2 0 1000.00 -999 ? >PRO.B 4 67.04 -29.42 26.76 66.41 -29.68 28.88 66.72 -29.55 27.82 3 0 1000.00 -999 ? >ARG.B 5 70.37 -28.35 35.48 69.58 -26.67 37.94 69.97 -27.51 36.71 2 0 1000.00 -999 ? >TYR.B 6 72.73 -26.31 31.73 73.42 -26.57 34.47 73.07 -26.44 33.10 3 0 1000.00 -999 ? >LYS.B 7 70.18 -24.00 26.90 65.50 -25.11 29.22 67.84 -24.56 28.06 2 0 1000.00 -999 ? >ALA~B 8 72.11 -21.73 24.52 72.68 -22.31 23.23 72.39 -22.02 23.87 2 0 1000.00 -999 ? >ASP~B 9 68.15 -18.96 25.15 66.75 -20.33 24.43 67.45 -19.64 24.79 2 0 1000.00 -999 ? >ILE~B 10 72.44 -16.95 27.62 73.47 -17.11 28.47 72.96 -17.03 28.05 3 0 1000.00 -999 ? >GLY~B 11 73.92 -16.45 23.25 73.20 -16.12 23.35 73.56 -16.29 23.30 1 0 1000.00 -999 ? >GLY~B 12 71.46 -14.01 21.73 72.02 -13.82 22.27 71.74 -13.92 22.00 1 0 1000.00 -999 ? >GLY~B 13 72.90 -11.02 23.62 72.85 -11.63 24.16 72.88 -11.32 23.89 1 0 1000.00 -999 ? >SER.B 14 74.46 -9.60 26.75 75.93 -7.80 26.06 75.19 -8.70 26.41 2 0 1000.00 -999 ? >LEU.B 15 72.74 -6.77 30.32 72.94 -8.07 32.04 72.84 -7.42 31.18 3 0 1000.00 -999 ? >LYS~B 16 72.38 -4.34 26.38 75.09 -5.73 22.40 73.74 -5.04 24.39 2 0 1000.00 -999 ? >LEU~B 17 71.56 -1.03 29.82 70.53 -0.07 31.57 71.04 -0.55 30.70 3 0 1000.00 -999 ? >PRO~B 18 71.98 1.55 26.05 70.09 0.38 26.64 71.04 0.96 26.35 3 0 1000.00 -999 ? >GLU~B 19 69.47 -2.15 22.06 70.12 -3.43 20.48 69.80 -2.79 21.27 2 0 1000.00 -999 ? >SER~B 20 66.53 -3.41 27.23 67.88 -5.27 27.78 67.21 -4.34 27.51 2 0 1000.00 -999 ? >ARG~B 21 67.11 2.72 29.93 68.05 3.26 32.84 67.58 2.99 31.39 2 0 1000.00 -999 ? >ILE~B 22 63.89 0.30 23.49 64.26 0.92 22.30 64.07 0.61 22.90 3 0 1000.00 -999 ? >ILE~B 23 62.74 -4.60 25.07 63.19 -5.74 24.34 62.96 -5.17 24.70 3 0 1000.00 -999 ? >ALA~B 24 60.90 -2.61 28.90 61.82 -2.06 29.97 61.36 -2.33 29.44 2 0 1000.00 -999 ? >GLY~B 25 58.79 0.30 27.65 58.78 -0.49 27.38 58.78 -0.10 27.51 1 0 1000.00 -999 ? >LEU~B 26 57.85 -2.68 23.92 58.32 -1.96 21.95 58.09 -2.32 22.93 3 0 1000.00 -999 ? >LEU~B 27 57.25 -5.36 28.46 58.01 -7.35 27.81 57.63 -6.35 28.14 3 0 1000.00 -999 ? >LEU~B 28 55.78 -0.64 30.69 56.86 -0.76 32.68 56.32 -0.70 31.68 3 0 1000.00 -999 ? >GLU~B 29 53.81 1.67 25.98 55.07 2.14 24.30 54.44 1.91 25.14 2 0 1000.00 -999 ? >GLY~B 30 51.52 -3.77 26.36 52.06 -3.34 25.86 51.79 -3.56 26.11 1 0 1000.00 -999 ? >VAL.B 31 52.64 -5.64 23.23 54.80 -5.08 23.19 53.72 -5.36 23.21 3 0 1000.00 -999 ? >THR~B 32 50.88 -8.48 21.46 49.10 -7.70 20.56 49.99 -8.09 21.01 2 0 1000.00 -999 ? >GLU~B 33 53.07 -12.96 19.76 53.29 -14.95 19.04 53.18 -13.95 19.40 2 0 1000.00 -999 ? >ASP~B 34 50.11 -8.22 15.85 49.78 -8.71 13.82 49.95 -8.46 14.83 2 0 1000.00 -999 ? >GLN~B 35 50.38 -4.23 19.13 49.49 -3.88 21.04 49.93 -4.05 20.08 2 0 1000.00 -999 ? >TRP~B 36 58.04 -9.26 19.05 60.40 -7.31 21.46 59.22 -8.28 20.26 3 0 1000.00 -999 ? >ARG~B 37 56.23 -11.05 14.09 57.84 -11.95 11.62 57.04 -11.50 12.85 2 0 1000.00 -999 ? >HIS~B 38 53.44 -3.74 12.92 52.57 -4.06 11.03 53.00 -3.90 11.97 3 0 1000.00 -999 ? >ALA~B 39 57.62 -2.17 16.85 57.50 -2.32 18.35 57.56 -2.24 17.60 2 0 1000.00 -999 ? >ILE~B 40 61.10 -5.67 16.45 62.17 -5.56 17.40 61.64 -5.61 16.92 3 0 1000.00 -999 ? >GLU~B 41 58.85 -6.46 11.59 58.61 -8.54 11.18 58.73 -7.50 11.39 2 0 1000.00 -999 ? >VAL~B 42 58.42 -1.81 11.10 56.53 -2.11 10.12 57.47 -1.96 10.61 3 0 1000.00 -999 ? >GLU.B 43 56.64 1.43 14.91 55.89 1.52 16.95 56.26 1.48 15.93 2 0 1000.00 -999 ? >ASN.B 44 63.18 0.41 12.70 65.25 -0.25 12.53 64.22 0.08 12.61 2 0 1000.00 -999 ? >VAL.B 45 62.57 0.94 17.64 60.91 0.04 18.80 61.74 0.49 18.22 3 0 1000.00 -999 ? >LEU.B 46 66.57 -1.92 18.13 65.79 -3.15 19.78 66.18 -2.54 18.96 3 0 1000.00 -999 ? >GLN.B 47 67.11 3.77 16.23 68.06 5.64 16.73 67.58 4.70 16.48 2 0 1000.00 -999 ? >ARG.B 48 69.74 -4.14 14.56 70.10 -4.04 17.63 69.92 -4.09 16.09 2 0 1000.00 -999 ? >ARG.B 49 73.12 0.23 7.64 74.00 -1.48 5.23 73.56 -0.62 6.44 2 0 1000.00 -999 ? >LYS~B 55 64.87 -10.79 15.88 61.61 -10.76 10.50 63.24 -10.77 13.19 2 0 1000.00 -999 ? >ARG~B 56 69.12 -15.98 15.92 70.95 -17.13 13.74 70.03 -16.56 14.83 2 0 1000.00 -999 ? >GLN~B 57 69.99 -8.80 20.42 71.87 -8.02 19.81 70.93 -8.41 20.11 2 0 1000.00 -999 ? >SER~B 58 65.04 -8.79 20.37 63.85 -8.80 18.23 64.45 -8.79 19.30 2 0 1000.00 -999 ? >SER~B 59 63.12 -11.98 21.24 62.28 -13.05 19.26 62.70 -12.52 20.25 2 0 1000.00 -999 ? >LEU~B 60 67.28 -13.03 23.52 68.38 -13.59 25.35 67.83 -13.31 24.43 3 0 1000.00 -999 ? >MET~B 61 65.66 -9.40 25.58 68.15 -6.18 24.21 66.90 -7.79 24.90 2 0 1000.00 -999 ? >ARG~B 62 58.45 -10.02 23.78 57.89 -12.34 21.82 58.17 -11.18 22.80 2 0 1000.00 -999 ? >ASN~B 63 62.27 -14.42 26.03 60.77 -14.92 24.56 61.52 -14.67 25.29 2 0 1000.00 -999 ? >ARG~B 64 68.12 -11.63 29.11 70.90 -11.82 27.82 69.51 -11.72 28.47 2 0 1000.00 -999 ? >LEU~B 65 62.13 -8.14 30.09 63.58 -6.48 30.23 62.85 -7.31 30.16 3 0 1000.00 -999 ? >GLU~B 66 57.94 -10.80 28.43 56.79 -11.48 26.78 57.37 -11.14 27.61 2 0 1000.00 -999 ? >THR.B 67 60.38 -13.83 33.28 62.50 -14.34 33.14 61.44 -14.08 33.21 2 0 1000.00 -999 ? >MET.B 68 59.77 -10.89 35.57 62.30 -11.49 37.87 61.04 -11.19 36.72 2 0 1000.00 -999 ? >GLY~B 69 56.84 -8.48 36.04 57.56 -8.12 36.05 57.20 -8.30 36.05 1 0 1000.00 -999 ? >PRO~B 70 53.74 -5.61 35.26 55.97 -5.49 35.56 54.85 -5.55 35.41 3 0 1000.00 -999 ? >GLU~B 71 56.10 -3.91 40.49 54.78 -5.28 39.54 55.44 -4.59 40.01 2 0 1000.00 -999 ? >LEU~B 72 61.43 -6.23 37.32 63.33 -7.15 36.76 62.38 -6.69 37.04 3 0 1000.00 -999 ? >TRP~B 73 59.55 -6.33 32.88 55.86 -7.08 31.76 57.71 -6.71 32.32 3 0 1000.00 -999 ? >GLN~B 74 58.87 1.84 36.73 57.11 2.97 36.48 57.99 2.40 36.61 2 0 1000.00 -999 ? >MET~B 75 63.26 -0.25 37.09 63.85 -2.52 40.56 63.56 -1.39 38.83 2 0 1000.00 -999 ? >VAL~B 76 64.76 -1.22 33.70 65.13 -3.07 32.61 64.95 -2.14 33.16 3 0 1000.00 -999 ? >ARG~B 77 59.62 2.93 30.41 57.33 3.89 32.25 58.47 3.41 31.33 2 0 1000.00 -999 ? >ASP~B 78 62.09 4.70 35.12 60.45 4.94 33.80 61.27 4.82 34.46 2 0 1000.00 -999 ? >GLY~B 79 66.09 3.54 36.90 66.28 3.79 36.15 66.19 3.66 36.52 1 0 1000.00 -999 ? >SER~B 80 69.65 4.78 37.24 70.38 3.81 39.36 70.01 4.30 38.30 2 0 1000.00 -999 ? >THR~B 81 72.22 2.92 35.17 73.76 3.62 33.89 72.99 3.27 34.53 2 0 1000.00 -999 ? >GLN~B 82 74.16 0.03 40.35 75.12 0.62 42.15 74.64 0.33 41.25 2 0 1000.00 -999 ? >VAL~B 83 69.66 -0.14 39.21 68.04 0.71 40.54 68.85 0.28 39.88 3 0 1000.00 -999 ? >ALA~B 84 68.51 -0.78 35.64 68.34 0.24 34.59 68.42 -0.27 35.11 2 0 1000.00 -999 ? >ILE~B 85 73.06 -2.43 34.37 74.31 -2.53 34.08 73.68 -2.48 34.23 3 0 1000.00 -999 ? >GLN~B 86 73.01 -4.22 39.44 73.49 -3.35 41.32 73.25 -3.78 40.38 2 0 1000.00 -999 ? >ALA~B 87 67.55 -5.51 37.15 66.51 -4.38 37.11 67.03 -4.94 37.13 2 0 1000.00 -999 ? >VAL~B 88 68.28 -6.74 33.64 68.53 -5.74 31.74 68.41 -6.24 32.69 3 0 1000.00 -999 ? >PHE~B 89 73.17 -9.51 36.54 75.05 -11.33 37.47 74.11 -10.42 37.00 3 0 1000.00 -999 ? >ALA~B 90 68.41 -10.47 37.56 67.58 -9.66 38.48 68.00 -10.06 38.02 2 0 1000.00 -999 ? >ALA~B 91 66.11 -11.17 34.67 65.47 -10.12 33.81 65.79 -10.64 34.24 2 0 1000.00 -999 ? >ALA~B 92 68.90 -12.74 32.64 70.14 -12.10 32.10 69.52 -12.42 32.37 2 0 1000.00 -999 ? >ILE~B 93 70.17 -14.61 37.07 71.00 -14.51 38.14 70.59 -14.56 37.60 3 0 1000.00 -999 ? >LYS~B 94 66.01 -16.01 35.97 60.19 -15.20 37.83 63.10 -15.60 36.90 2 0 1000.00 -999 ? >HIS~B 95 65.62 -16.03 29.79 65.24 -16.63 27.81 65.43 -16.33 28.80 3 0 1000.00 -999 ? >SER~B 96 69.23 -18.65 32.08 71.40 -18.71 30.97 70.32 -18.68 31.53 2 0 1000.00 -999 ? >THR~B 97 70.15 -21.57 34.33 69.10 -23.34 35.05 69.62 -22.46 34.69 2 0 1000.00 -999 ? >LEU~B 98 73.62 -21.64 30.82 75.24 -22.39 29.69 74.43 -22.02 30.25 3 0 1000.00 -999 ? >LEU~B 99 73.42 -16.83 33.26 74.29 -14.81 33.39 73.86 -15.82 33.32 3 0 1000.00 -999 ? >GLY~B 100 72.82 -18.71 37.18 73.42 -19.14 36.79 73.12 -18.93 36.98 1 0 1000.00 -999 ? >ASP~B 101 74.43 -23.24 37.19 72.66 -24.14 38.01 73.54 -23.69 37.60 2 0 1000.00 -999 ? >PHE~B 102 79.70 -19.38 34.88 82.43 -18.86 34.33 81.06 -19.12 34.60 3 0 1000.00 -999 ? >LEU~B 103 76.42 -16.77 39.11 76.27 -14.76 38.42 76.35 -15.76 38.77 3 0 1000.00 -999 ? >ASP~B 104 75.06 -20.88 41.81 74.55 -21.78 43.59 74.80 -21.33 42.70 2 0 1000.00 -999 ? >LEU~B 105 78.30 -24.20 40.44 76.52 -25.36 40.77 77.41 -24.78 40.60 3 0 1000.00 -999 ? >VAL~B 106 81.90 -21.36 39.85 82.50 -22.11 37.84 82.20 -21.74 38.84 3 0 1000.00 -999 ? >VAL~B 107 82.14 -17.61 40.42 81.53 -15.83 39.29 81.84 -16.72 39.85 3 0 1000.00 -999 ? >ARG~B 108 78.61 -19.50 46.56 76.02 -17.96 46.09 77.32 -18.73 46.33 2 0 1000.00 -999 ? >ASP~B 109 83.86 -21.88 44.44 84.66 -23.14 45.97 84.26 -22.51 45.21 2 0 1000.00 -999 ? >GLN~B 110 86.55 -18.90 40.46 88.47 -19.81 40.61 87.51 -19.35 40.54 2 0 1000.00 -999 ? >PHE~B 111 84.11 -13.69 44.73 83.57 -11.62 42.95 83.84 -12.66 43.84 3 0 1000.00 -999 ? >ARG.B 112 86.89 -20.84 50.03 87.40 -22.96 52.08 87.14 -21.90 51.06 2 0 1000.00 -999 ? >MET.B 113 90.80 -17.25 46.30 91.02 -17.86 42.28 90.91 -17.55 44.29 2 0 1000.00 -999 ? >PHE.B 114 95.54 -13.70 48.03 97.19 -11.46 48.00 96.37 -12.58 48.01 3 0 1000.00 -999 ? >ARG.B 115 96.39 -10.54 44.17 98.79 -9.59 45.83 97.59 -10.07 45.00 2 0 1000.00 -999 ? >PRO.B 116 88.77 -13.16 44.79 90.36 -13.52 43.26 89.57 -13.34 44.02 3 0 1000.00 -999 ? >ASP.B 117 91.24 -14.28 38.42 92.43 -16.00 38.59 91.84 -15.14 38.50 2 0 1000.00 -999 ? >LEU.B 118 86.51 -15.62 36.31 84.57 -16.56 36.39 85.54 -16.09 36.35 3 0 1000.00 -999 ? >PRO~B 119 91.23 -18.79 35.26 89.81 -17.40 34.21 90.52 -18.09 34.74 3 0 1000.00 -999 ? >ARG~B 120 86.73 -17.14 28.62 85.54 -15.26 26.49 86.14 -16.20 27.56 2 0 1000.00 -999 ? >LYS~B 121 89.40 -22.57 31.68 94.32 -24.22 34.38 91.86 -23.40 33.03 2 0 1000.00 -999 ? >MET~B 122 86.80 -22.17 34.52 88.04 -22.68 37.65 87.42 -22.42 36.08 2 0 1000.00 -999 ? >TRP~B 123 83.06 -21.40 28.51 79.40 -20.53 29.68 81.23 -20.97 29.10 3 0 1000.00 -999 ? >ASP~B 124 86.86 -25.08 29.52 87.49 -23.73 28.04 87.17 -24.40 28.78 2 0 1000.00 -999 ? >GLN~B 125 87.65 -27.37 34.07 89.02 -26.90 35.68 88.34 -27.14 34.87 2 0 1000.00 -999 ? >TYR~B 126 80.04 -23.89 34.16 77.31 -23.32 34.31 78.67 -23.60 34.23 3 0 1000.00 -999 ? >LEU~B 127 80.90 -26.27 29.27 79.82 -24.64 28.33 80.36 -25.46 28.80 3 0 1000.00 -999 ? >GLU~B 128 83.64 -32.22 31.61 82.61 -33.51 30.25 83.13 -32.86 30.93 2 0 1000.00 -999 ? >GLN~B 129 81.75 -30.21 36.45 82.06 -32.30 36.48 81.90 -31.25 36.47 2 0 1000.00 -999 ? >CYH~B 130 76.91 -29.06 32.92 76.75 -26.28 33.06 76.83 -27.67 32.99 2 0 1000.00 -999 ? >ARG~B 131 78.92 -31.54 27.27 81.36 -29.67 27.24 80.14 -30.60 27.25 2 0 1000.00 -999 ? >ASN~B 132 78.60 -34.33 34.51 80.40 -35.13 33.71 79.50 -34.73 34.11 2 0 1000.00 -999 ? >ARG~B 133 75.14 -29.69 37.38 77.75 -28.14 37.28 76.45 -28.92 37.33 2 0 1000.00 -999 ? >ASP~B 134 71.99 -31.12 31.68 70.31 -30.93 30.45 71.15 -31.02 31.06 2 0 1000.00 -999 ? >PRO.B 135 70.44 -36.58 31.21 71.95 -35.17 30.28 71.19 -35.87 30.75 3 0 1000.00 -999 ? >LEU.B 136 68.12 -33.34 28.05 66.68 -34.74 28.91 67.40 -34.04 28.48 3 0 1000.00 -999 ? >MET.B 137 71.59 -30.58 26.60 74.67 -29.15 29.14 73.13 -29.86 27.87 2 0 1000.00 -999 ? >PRO.B 138 72.26 -28.64 22.79 73.22 -30.31 23.94 72.74 -29.47 23.37 3 0 1000.00 -999 ? >VAL.B 139 77.45 -31.11 23.44 78.63 -32.90 23.84 78.04 -32.00 23.64 3 0 1000.00 -999 ? >TRP.B 140 75.76 -26.20 22.18 75.22 -24.98 25.88 75.49 -25.59 24.03 3 0 1000.00 -999 ? >GLN~B 141 80.86 -28.28 17.25 82.21 -28.79 15.69 81.54 -28.53 16.47 2 0 1000.00 -999 ? >ASP~B 142 85.71 -25.90 21.17 86.13 -27.40 22.63 85.92 -26.65 21.90 2 0 1000.00 -999 ? >SER~B 143 83.73 -22.46 18.96 83.10 -23.40 16.74 83.42 -22.93 17.85 2 0 1000.00 -999 ? >THR~B 144 80.02 -22.38 19.98 78.16 -23.42 19.49 79.09 -22.90 19.73 2 0 1000.00 -999 ? >ALA~B 145 81.04 -22.87 23.63 81.92 -24.04 24.12 81.48 -23.45 23.88 2 0 1000.00 -999 ? >ASN~B 146 84.69 -19.88 22.58 86.11 -18.50 23.35 85.40 -19.19 22.96 2 0 1000.00 -999 ? >LYS~B 147 80.69 -17.68 21.77 76.80 -15.66 18.68 78.75 -16.67 20.23 2 0 1000.00 -999 ? >LEU~B 148 77.89 -19.81 25.18 76.03 -20.74 24.55 76.96 -20.27 24.86 3 0 1000.00 -999 ? >ALA~B 149 81.36 -17.63 27.07 82.71 -18.34 27.07 82.03 -17.99 27.07 2 0 1000.00 -999 ? >ASP~B 150 82.19 -13.98 23.87 84.09 -14.67 23.19 83.14 -14.33 23.53 2 0 1000.00 -999 ? >CYH~B 151 78.32 -13.46 26.08 75.63 -13.26 25.94 76.98 -13.36 26.01 2 0 1000.00 -999 ? >VAL~B 152 78.46 -14.53 29.74 78.12 -16.42 30.74 78.29 -15.48 30.24 3 0 1000.00 -999 ? >TYR~B 153 83.84 -14.21 30.51 85.21 -16.22 31.89 84.52 -15.21 31.20 3 0 1000.00 -999 ? >ARG~B 154 79.13 -8.13 25.27 78.94 -10.77 23.69 79.04 -9.45 24.48 2 0 1000.00 -999 ? >ILE~B 155 76.41 -10.93 31.35 75.15 -11.52 31.32 75.78 -11.23 31.34 3 0 1000.00 -999 ? >LEU~B 156 80.79 -11.22 34.38 80.07 -13.19 35.15 80.43 -12.20 34.77 3 0 1000.00 -999 ? >VAL~B 157 81.81 -7.00 32.76 83.33 -6.66 31.16 82.57 -6.83 31.96 3 0 1000.00 -999 ? >GLU~B 158 77.54 -5.40 30.00 75.84 -6.18 28.90 76.69 -5.79 29.45 2 0 1000.00 -999 ? >VAL~B 159 77.51 -5.60 35.96 76.99 -7.37 37.16 77.25 -6.48 36.56 3 0 1000.00 -999 ? >GLY.B 160 81.01 -5.11 37.39 80.81 -5.86 37.31 80.91 -5.48 37.35 1 0 1000.00 -999 ? >TYR.B 161 80.28 -10.31 39.39 78.39 -10.93 41.39 79.33 -10.62 40.39 3 0 1000.00 -999 ? >ILE.B 162 85.04 -9.43 34.89 85.45 -10.58 34.24 85.24 -10.00 34.57 3 0 1000.00 -999 ? >THR.B 163 87.00 -5.32 36.30 87.46 -5.28 38.41 87.23 -5.30 37.35 2 0 1000.00 -999 ? >ASP.B 164 91.13 -6.43 34.69 92.82 -6.49 33.43 91.97 -6.46 34.06 2 0 1000.00 -999 ? >SER.B 165 89.08 -8.18 30.63 89.40 -6.52 28.87 89.24 -7.35 29.75 2 0 1000.00 -999 ? >LYS.B 166 92.51 -9.81 30.35 92.08 -7.92 25.55 92.30 -8.86 27.95 2 0 1000.00 -999 ? >THR.B 167 93.50 -10.72 33.91 93.96 -8.94 35.01 93.73 -9.83 34.46 2 0 1000.00 -999 ? >TYR.B 168 89.34 -13.19 32.42 88.86 -13.23 29.68 89.10 -13.21 31.05 3 0 1000.00 -999 ? >ARG.B 169 92.89 -10.91 39.19 93.45 -9.11 41.69 93.17 -10.01 40.44 2 0 1000.00 -999 ? >LEU.B 170 86.41 -11.87 40.54 85.32 -13.48 39.59 85.86 -12.68 40.07 3 0 1000.00 -999 ? >LYS.B 171 85.49 -7.65 42.08 84.44 -2.07 43.84 84.96 -4.86 42.96 2 0 1000.00 -999 ? >SER.B 172 82.65 -7.93 44.56 83.16 -6.58 46.54 82.90 -7.26 45.55 2 0 1000.00 -999 ? >VAL.B 173 79.37 -6.32 43.51 78.70 -7.10 41.54 79.04 -6.71 42.52 3 0 1000.00 -999 ? >ARG.B 174 78.68 -2.83 48.51 79.18 0.19 48.82 78.93 -1.32 48.66 2 0 1000.00 -999 ? >ILE.B 175 72.57 -6.66 44.04 72.68 -6.82 42.62 72.63 -6.74 43.33 3 0 1000.00 -999 ? >SER~B 176 71.18 -2.16 44.75 69.67 -2.09 42.84 70.42 -2.13 43.79 2 0 1000.00 -999 ? >GLY~B 177 68.57 -2.18 47.51 68.46 -2.09 46.70 68.52 -2.13 47.10 1 0 1000.00 -999 ? >GLU~B 178 64.28 -0.17 43.49 64.09 1.52 42.21 64.18 0.67 42.85 2 0 1000.00 -999 ? >VAL~B 179 66.63 -4.73 43.07 67.91 -5.16 41.37 67.27 -4.95 42.22 3 0 1000.00 -999 ? >MET~B 180 67.18 -6.96 46.09 70.00 -8.68 45.65 68.59 -7.82 45.87 2 0 1000.00 -999 ? >SER~B 181 63.90 -5.72 47.54 62.17 -4.15 48.18 63.03 -4.94 47.86 2 0 1000.00 -999 ? >TYR~B 182 61.51 -6.85 41.88 59.93 -8.31 40.04 60.72 -7.58 40.96 3 0 1000.00 -999 ? >LEU~B 183 65.05 -10.36 44.17 66.07 -10.36 42.23 65.56 -10.36 43.20 3 0 1000.00 -999 ? >ARG~B 184 65.12 -10.09 50.83 68.01 -9.13 50.59 66.57 -9.61 50.71 2 0 1000.00 -999 ? >GLU~B 185 59.03 -7.01 48.34 59.24 -5.01 47.73 59.13 -6.01 48.04 2 0 1000.00 -999 ? >ASN~B 186 58.89 -11.28 43.17 57.67 -9.62 42.64 58.28 -10.45 42.90 2 0 1000.00 -999 ? >ASN.B 187 59.01 -15.68 46.38 57.57 -14.84 47.68 58.29 -15.26 47.03 2 0 1000.00 -999 ? >GLU~B 188 62.15 -13.30 42.03 61.32 -14.56 40.50 61.73 -13.93 41.27 2 0 1000.00 -999 ? >GLN~B 189 63.18 -18.89 46.75 62.92 -17.56 48.34 63.05 -18.23 47.55 2 0 1000.00 -999 ? >TYR~B 190 67.77 -20.03 40.60 69.75 -20.87 38.80 68.76 -20.45 39.70 3 0 1000.00 -999 ? >VAL~B 191 67.98 -15.32 41.41 67.08 -13.98 40.02 67.53 -14.65 40.72 3 0 1000.00 -999 ? >ILE~B 192 67.90 -14.14 46.13 67.20 -13.43 47.17 67.55 -13.79 46.65 3 0 1000.00 -999 ? >ARG~B 193 71.77 -20.80 45.33 72.41 -22.45 47.82 72.09 -21.63 46.57 2 0 1000.00 -999 ? >CYH~B 194 73.07 -16.31 42.08 72.01 -18.59 40.76 72.54 -17.45 41.42 2 0 1000.00 -999 ? >ILE~B 195 71.68 -11.68 41.71 70.93 -10.42 41.91 71.30 -11.05 41.81 3 0 1000.00 -999 ? >GLN~B 196 75.25 -9.66 46.33 73.95 -8.41 47.48 74.60 -9.04 46.91 2 0 1000.00 -999 ? >VAL.B 197 77.96 -14.37 45.12 78.13 -15.21 43.05 78.04 -14.79 44.09 3 0 1000.00 -999 ? >SER.B 198 80.54 -12.14 46.82 80.34 -10.17 45.47 80.44 -11.16 46.14 2 0 1000.00 -999 ?