REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-09 3GGN COMPND UNCHARACTERIZED PROTEIN DR_A0006; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS R1; SOURCE 3 ORGANISM_TAXID: 243230; SOURCE 4 STRAIN: R1 / DSM 20539 / IFO 15346 / LMG 4051 / NCIB 9279; SOURCE 5 ATCC: 13939; SOURCE 6 GENE: DR_A0006; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21-23C AUTHOR J.SEETHARAMAN,H.NEELY,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, AUTHOR 2 J.K.EVERETT,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) >THR.A 3 7.88 35.66 34.08 8.69 35.91 32.09 8.28 35.78 33.08 2 0 1000.00 -999 ? >VAL^A 4 4.99 33.24 34.61 4.35 32.81 36.65 4.67 33.02 35.63 3 0 1000.00 -999 ? >VAL^A 5 2.76 31.50 32.06 3.35 31.31 29.97 3.06 31.41 31.01 3 0 1000.00 -999 ? >ARG^A 6 -2.55 28.91 35.69 -4.93 27.83 37.25 -3.74 28.37 36.47 2 0 1000.00 -999 ? >ASP^A 7 -2.93 28.05 29.99 -4.55 28.76 28.82 -3.74 28.40 29.40 2 0 1000.00 -999 ? >ALA^A 8 -5.68 25.19 31.86 -6.32 25.32 33.24 -6.00 25.25 32.55 2 0 1000.00 -999 ? >VAL^A 9 -7.95 22.96 29.76 -7.57 22.86 27.61 -7.76 22.91 28.69 3 0 1000.00 -999 ? >THR^A 10 -10.51 20.31 30.70 -12.11 20.54 32.11 -11.31 20.42 31.41 2 0 1000.00 -999 ? >ILE^A 11 -8.95 16.54 28.44 -7.81 16.44 27.63 -8.38 16.49 28.03 3 0 1000.00 -999 ? >GLY.A 12 -12.85 14.16 28.73 -12.06 14.08 28.54 -12.45 14.12 28.63 1 0 1000.00 -999 ? >LYS.A 13 -10.18 11.56 29.47 -10.87 8.86 24.75 -10.53 10.21 27.11 2 0 1000.00 -999 ? >PRO~A 14 -9.60 7.81 31.48 -9.05 9.93 31.89 -9.32 8.87 31.68 3 0 1000.00 -999 ? >ALA~A 15 -6.03 11.58 34.45 -6.08 12.01 35.92 -6.05 11.79 35.19 2 0 1000.00 -999 ? >GLU~A 16 -4.90 6.95 35.93 -3.84 7.70 37.60 -4.37 7.33 36.77 2 0 1000.00 -999 ? >GLN~A 17 -5.01 8.44 28.14 -6.81 8.20 27.04 -5.91 8.32 27.59 2 0 1000.00 -999 ? >LEU~A 18 -4.04 13.49 30.59 -5.82 14.13 29.51 -4.93 13.81 30.05 3 0 1000.00 -999 ? >TYR~A 19 0.91 10.82 34.63 3.41 10.07 35.65 2.16 10.44 35.14 3 0 1000.00 -999 ? >ALA~A 20 1.43 9.27 30.57 0.82 7.93 30.16 1.13 8.60 30.36 2 0 1000.00 -999 ? >VAL~A 21 1.46 11.62 27.59 -0.09 12.26 26.19 0.68 11.94 26.89 3 0 1000.00 -999 ? >TRP~A 22 0.41 15.85 29.54 1.65 19.55 29.05 1.03 17.70 29.30 3 0 1000.00 -999 ? >ARG~A 23 6.94 11.29 34.00 9.92 10.52 33.96 8.43 10.91 33.98 2 0 1000.00 -999 ? >ASP~A 24 6.46 10.37 26.88 7.68 10.11 25.16 7.07 10.24 26.02 2 0 1000.00 -999 ? >LEU.A 25 10.86 14.00 29.04 10.62 14.47 31.13 10.74 14.23 30.09 3 0 1000.00 -999 ? >PRO.A 26 12.07 11.56 25.31 10.83 13.40 25.23 11.45 12.48 25.27 3 0 1000.00 -999 ? >GLY~A 27 7.52 14.21 23.34 7.83 14.67 23.92 7.68 14.44 23.63 1 0 1000.00 -999 ? >LEU~A 28 7.85 17.93 26.50 7.22 17.58 28.53 7.53 17.76 27.51 3 0 1000.00 -999 ? >PRO~A 29 10.15 18.85 22.56 7.97 19.17 22.83 9.06 19.01 22.69 3 0 1000.00 -999 ? >LEU~A 30 4.27 17.08 20.54 4.08 16.06 18.65 4.17 16.57 19.60 3 0 1000.00 -999 ? >LEU~A 31 2.64 18.96 25.06 1.60 17.10 25.40 2.12 18.03 25.23 3 0 1000.00 -999 ? >MET~A 32 4.80 22.83 24.46 5.60 22.67 28.61 5.20 22.75 26.54 2 0 1000.00 -999 ? >THR.A 33 5.80 23.95 20.98 3.96 24.30 19.91 4.88 24.13 20.44 2 0 1000.00 -999 ? >HIS.A 34 7.92 27.11 24.73 7.73 26.23 26.62 7.83 26.67 25.68 3 0 1000.00 -999 ? >LEU.A 35 10.21 22.65 24.02 10.53 22.70 26.15 10.37 22.67 25.09 3 0 1000.00 -999 ? >ARG.A 36 16.00 22.83 18.20 16.08 22.04 15.23 16.04 22.44 16.72 2 0 1000.00 -999 ? >SER^A 37 13.76 19.03 22.06 16.15 19.14 21.59 14.95 19.08 21.83 2 0 1000.00 -999 ? >VAL^A 38 13.98 17.25 25.42 12.56 17.69 27.02 13.27 17.47 26.22 3 0 1000.00 -999 ? >GLU^A 39 18.62 13.29 25.21 20.42 13.60 24.15 19.52 13.45 24.68 2 0 1000.00 -999 ? >VAL^A 40 16.44 11.99 28.87 14.98 10.53 29.59 15.71 11.26 29.23 3 0 1000.00 -999 ? >LEU.A 41 20.55 13.19 31.03 21.34 14.73 29.71 20.94 13.96 30.37 3 0 1000.00 -999 ? >ASP.A 42 19.99 9.86 34.54 19.77 11.49 35.88 19.88 10.68 35.21 2 0 1000.00 -999 ? >ASP.A 43 16.02 8.13 37.11 16.12 6.04 36.72 16.07 7.09 36.92 2 0 1000.00 -999 ? >LYS.A 44 15.75 12.60 36.99 16.05 16.29 42.22 15.90 14.45 39.60 2 0 1000.00 -999 ? >ARG^A 45 21.50 15.19 35.92 22.73 13.48 33.68 22.11 14.33 34.80 2 0 1000.00 -999 ? >SER^A 46 17.09 15.76 31.00 14.93 16.67 31.64 16.01 16.22 31.32 2 0 1000.00 -999 ? >ARG^A 47 21.55 18.39 26.08 23.67 16.30 26.76 22.61 17.34 26.42 2 0 1000.00 -999 ? >TRP^A 48 15.01 19.61 29.73 11.24 20.57 30.33 13.13 20.09 30.03 3 0 1000.00 -999 ? >THR^A 49 16.68 22.83 23.96 18.24 22.17 22.62 17.46 22.50 23.29 2 0 1000.00 -999 ? >VAL^A 50 14.88 25.75 22.33 14.55 26.92 24.13 14.72 26.34 23.23 3 0 1000.00 -999 ? >GLU^A 51 14.11 26.67 17.20 15.71 26.08 15.93 14.91 26.37 16.57 2 0 1000.00 -999 ? >ALA.A 52 17.44 30.95 19.35 18.53 30.83 20.42 17.99 30.89 19.89 2 0 1000.00 -999 ? >PRO.A 53 16.48 34.82 17.74 17.98 33.24 17.28 17.23 34.03 17.51 3 0 1000.00 -999 ? >ALA.A 54 21.67 34.02 15.15 21.94 34.48 13.73 21.81 34.25 14.44 2 0 1000.00 -999 ? >PRO.A 55 25.49 35.03 17.79 23.91 34.23 16.45 24.70 34.63 17.12 3 0 1000.00 -999 ? >LEU.A 56 22.17 31.80 20.24 22.72 32.64 22.16 22.44 32.22 21.20 3 0 1000.00 -999 ? >GLY.A 57 21.08 29.06 16.92 20.88 29.27 17.71 20.98 29.17 17.31 1 0 1000.00 -999 ? >THR^A 58 19.82 27.17 19.96 20.25 25.18 19.19 20.03 26.17 19.58 2 0 1000.00 -999 ? >VAL^A 59 20.00 27.42 23.72 19.64 29.29 24.77 19.82 28.35 24.25 3 0 1000.00 -999 ? >SER^A 60 20.30 24.27 25.80 20.97 21.93 25.85 20.63 23.10 25.83 2 0 1000.00 -999 ? >TRP^A 61 17.25 23.90 31.12 15.42 25.75 28.17 16.34 24.82 29.65 3 0 1000.00 -999 ? >GLU^A 62 22.07 19.82 31.50 23.26 18.09 31.72 22.66 18.96 31.61 2 0 1000.00 -999 ? >ALA^A 63 16.75 20.21 34.24 15.49 20.75 33.57 16.12 20.48 33.90 2 0 1000.00 -999 ? >GLU^A 64 17.87 17.33 37.67 19.06 16.81 39.34 18.47 17.07 38.51 2 0 1000.00 -999 ? >LEU^A 65 11.54 15.12 37.63 10.59 14.51 35.78 11.06 14.82 36.70 3 0 1000.00 -999 ? >THR^A 66 11.20 18.01 41.31 11.02 20.13 40.97 11.11 19.07 41.14 2 0 1000.00 -999 ? >ALA^A 67 7.98 16.03 41.51 6.91 16.99 42.03 7.44 16.51 41.77 2 0 1000.00 -999 ? >ASP^A 68 7.48 12.30 39.02 6.68 10.93 37.63 7.08 11.61 38.33 2 0 1000.00 -999 ? >GLU^A 69 3.10 13.04 43.03 2.07 14.53 44.13 2.59 13.79 43.58 2 0 1000.00 -999 ? >PRO.A 70 3.04 7.72 38.92 1.84 9.58 38.87 2.44 8.65 38.90 3 0 1000.00 -999 ? >GLY.A 71 -1.95 10.70 37.29 -1.41 11.10 37.71 -1.68 10.90 37.50 1 0 1000.00 -999 ? >LYS.A 72 -1.46 13.73 39.53 -2.80 10.78 44.98 -2.13 12.25 42.26 2 0 1000.00 -999 ? >ARG^A 73 2.90 17.62 42.00 1.22 19.27 43.96 2.06 18.44 42.98 2 0 1000.00 -999 ? >ILE^A 74 4.95 15.86 35.56 5.27 14.96 34.49 5.11 15.41 35.02 3 0 1000.00 -999 ? >ALA^A 75 7.28 19.18 37.90 7.04 19.73 39.31 7.16 19.46 38.61 2 0 1000.00 -999 ? >TRP^A 76 10.82 21.81 33.77 7.08 20.97 32.90 8.95 21.39 33.34 3 0 1000.00 -999 ? >ARG^A 77 14.58 23.77 40.79 12.04 25.41 41.27 13.31 24.59 41.03 2 0 1000.00 -999 ? >SER^A 78 16.53 23.94 35.56 16.30 26.35 35.53 16.41 25.15 35.55 2 0 1000.00 -999 ? >LEU.A 79 20.68 22.04 37.18 20.17 19.94 37.03 20.43 20.99 37.11 3 0 1000.00 -999 ? >PRO.A 80 21.30 24.86 41.17 21.42 25.27 38.99 21.36 25.07 40.08 3 0 1000.00 -999 ? >GLY.A 81 23.86 27.45 36.35 23.09 27.25 36.16 23.48 27.35 36.25 1 0 1000.00 -999 ? >ALA.A 82 21.48 26.61 33.52 20.06 26.05 33.66 20.77 26.33 33.59 2 0 1000.00 -999 ? >ILE.A 84 16.84 30.01 29.82 16.10 30.59 28.70 16.47 30.30 29.26 3 0 1000.00 -999 ? >GLU^A 85 18.19 31.18 35.90 18.76 33.09 35.12 18.47 32.13 35.51 2 0 1000.00 -999 ? >ASN^A 86 12.77 27.85 32.90 13.64 26.07 32.13 13.21 26.96 32.52 2 0 1000.00 -999 ? >SER^A 87 10.60 25.70 35.98 9.42 27.05 37.61 10.01 26.38 36.79 2 0 1000.00 -999 ? >GLY^A 88 7.30 24.12 35.09 7.60 23.74 35.80 7.45 23.93 35.45 1 0 1000.00 -999 ? >GLU^A 89 3.51 21.50 38.87 3.08 22.25 40.82 3.30 21.88 39.85 2 0 1000.00 -999 ? >VAL^A 90 1.63 20.13 35.06 1.70 19.41 33.03 1.66 19.77 34.05 3 0 1000.00 -999 ? >LEU^A 91 -1.90 20.05 38.21 -0.92 20.66 40.02 -1.41 20.36 39.11 3 0 1000.00 -999 ? >PHE^A 92 -2.51 15.24 34.99 -0.40 15.46 33.19 -1.45 15.35 34.09 3 0 1000.00 -999 ? >ARG^A 93 -5.81 20.97 39.63 -6.94 23.82 39.66 -6.38 22.39 39.65 2 0 1000.00 -999 ? >PRO^A 94 -10.42 15.89 40.95 -9.95 16.26 38.81 -10.18 16.07 39.88 3 0 1000.00 -999 ? >ALA.A 95 -12.89 18.61 36.89 -13.07 18.68 35.37 -12.98 18.65 36.13 2 0 1000.00 -999 ? >PRO.A 96 -15.27 21.92 38.25 -15.41 19.71 38.38 -15.34 20.82 38.31 3 0 1000.00 -999 ? >GLY.A 97 -18.44 19.42 35.78 -18.10 18.87 36.26 -18.27 19.14 36.02 1 0 1000.00 -999 ? >ALA.A 98 -18.64 15.71 34.99 -19.45 15.37 33.75 -19.04 15.54 34.37 2 0 1000.00 -999 ? >ARG.A 99 -14.32 10.68 34.77 -12.19 12.33 36.22 -13.26 11.51 35.50 2 0 1000.00 -999 ? >GLY.A 100 -13.15 14.89 32.93 -13.06 14.79 33.76 -13.10 14.84 33.35 1 0 1000.00 -999 ? >THR^A 101 -9.61 15.91 33.83 -8.01 14.52 34.14 -8.81 15.22 33.98 2 0 1000.00 -999 ? >GLU^A 102 -8.32 21.84 35.10 -9.07 23.22 36.51 -8.69 22.53 35.80 2 0 1000.00 -999 ? >VAL^A 103 -4.89 19.92 32.96 -3.92 18.66 31.50 -4.41 19.29 32.23 3 0 1000.00 -999 ? >VAL^A 104 -3.20 22.93 34.53 -3.98 23.88 36.34 -3.59 23.40 35.44 3 0 1000.00 -999 ? >VAL^A 105 0.15 24.10 33.17 0.94 23.40 31.27 0.54 23.75 32.22 3 0 1000.00 -999 ? >ARG^A 106 2.22 28.38 38.36 4.43 30.23 39.41 3.32 29.30 38.88 2 0 1000.00 -999 ? >LEU^A 107 5.95 27.60 31.98 5.61 25.87 30.74 5.78 26.74 31.36 3 0 1000.00 -999 ? >THR^A 108 8.27 30.17 34.88 8.38 29.45 36.93 8.32 29.81 35.91 2 0 1000.00 -999 ? >PRO~A 128 5.78 34.04 25.92 3.86 33.48 24.98 4.82 33.76 25.45 3 0 1000.00 -999 ? >SER~A 129 0.41 32.78 26.93 -0.50 35.03 26.76 -0.05 33.90 26.85 2 0 1000.00 -999 ? >GLN~A 130 -1.77 33.37 21.11 -3.89 33.32 21.31 -2.83 33.34 21.21 2 0 1000.00 -999 ? >GLN~A 131 3.29 28.91 21.32 5.30 29.30 20.73 4.29 29.11 21.03 2 0 1000.00 -999 ? >LEU~A 132 0.84 28.12 26.87 1.08 26.63 28.43 0.96 27.38 27.65 3 0 1000.00 -999 ? >ARG~A 133 -6.05 29.93 26.39 -7.53 27.41 27.36 -6.79 28.67 26.87 2 0 1000.00 -999 ? >ASP~A 134 -2.43 27.79 20.35 -3.24 29.68 19.86 -2.84 28.73 20.11 2 0 1000.00 -999 ? >ASP~A 135 0.42 24.25 23.16 1.95 25.02 21.92 1.19 24.63 22.54 2 0 1000.00 -999 ? >LEU~A 136 -3.55 23.71 26.51 -2.25 23.50 28.22 -2.90 23.61 27.37 3 0 1000.00 -999 ? >MET~A 137 -6.45 23.39 23.11 -8.87 25.21 24.47 -7.66 24.30 23.79 2 0 1000.00 -999 ? >ARG~A 138 -1.83 21.55 17.75 -0.53 24.23 18.47 -1.18 22.89 18.11 2 0 1000.00 -999 ? >PHE~A 139 -3.00 17.81 25.12 -2.76 15.64 26.90 -2.88 16.73 26.01 3 0 1000.00 -999 ? >LYS~A 140 -7.48 18.75 24.14 -12.39 19.57 25.97 -9.93 19.16 25.05 2 0 1000.00 -999 ? >ARG~A 141 -8.93 19.99 17.09 -8.12 18.43 14.57 -8.52 19.21 15.83 2 0 1000.00 -999 ? >GLU~A 142 -4.46 16.32 18.51 -2.35 16.43 18.48 -3.40 16.37 18.50 2 0 1000.00 -999 ? >GLN~A 143 -5.56 13.95 24.65 -4.72 11.99 24.66 -5.14 12.97 24.65 2 0 1000.00 -999 ? >GLU~A 144 -11.42 16.00 24.31 -12.85 17.31 25.14 -12.14 16.65 24.72 2 0 1000.00 -999 ? >LEU~A 145 -10.88 14.01 17.82 -11.94 15.83 17.33 -11.41 14.92 17.58 3 0 1000.00 -999 ? >GLY~A 146 -8.93 10.17 19.39 -8.67 10.84 18.98 -8.80 10.50 19.18 1 0 1000.00 -999 ? >THR^B 3 -13.85 28.87 -0.93 -14.25 29.01 1.19 -14.05 28.94 0.13 2 0 1000.00 -999 ? >VAL^B 4 -10.51 27.98 -2.54 -10.18 27.88 -4.69 -10.35 27.93 -3.61 3 0 1000.00 -999 ? >VAL^B 5 -7.34 27.53 -0.50 -7.64 27.55 1.65 -7.49 27.54 0.58 3 0 1000.00 -999 ? >ASP^B 7 -0.72 26.81 1.82 0.55 28.19 2.83 -0.09 27.50 2.33 2 0 1000.00 -999 ? >ALA^B 8 2.88 25.04 0.08 3.47 25.24 -1.31 3.18 25.14 -0.62 2 0 1000.00 -999 ? >VAL^B 9 5.73 24.33 2.45 5.62 23.45 4.44 5.67 23.89 3.45 3 0 1000.00 -999 ? >THR^B 10 9.15 22.91 1.73 10.54 23.70 0.30 9.85 23.31 1.01 2 0 1000.00 -999 ? >ILE^B 11 9.18 19.28 4.59 8.22 18.93 5.58 8.70 19.11 5.09 3 0 1000.00 -999 ? >GLY.B 12 13.75 18.60 4.36 13.09 18.23 4.60 13.42 18.42 4.48 1 0 1000.00 -999 ? >LYS.B 13 12.45 15.03 4.13 14.53 13.50 8.83 13.49 14.27 6.48 2 0 1000.00 -999 ? >PRO~B 14 13.66 11.25 2.45 12.13 12.80 1.94 12.89 12.02 2.20 3 0 1000.00 -999 ? >ALA~B 15 8.69 12.59 -0.66 8.60 12.67 -2.20 8.64 12.63 -1.43 2 0 1000.00 -999 ? >GLU~B 16 8.80 7.33 -1.51 7.09 6.55 -2.50 7.94 6.94 -2.00 2 0 1000.00 -999 ? >GLN~B 17 8.85 10.19 6.10 10.51 11.05 7.13 9.68 10.62 6.62 2 0 1000.00 -999 ? >LEU~B 18 6.08 14.08 3.03 7.57 15.42 3.83 6.82 14.75 3.43 3 0 1000.00 -999 ? >TYR~B 19 2.59 9.43 -0.49 0.69 7.57 -1.36 1.64 8.50 -0.92 3 0 1000.00 -999 ? >ALA~B 20 2.95 8.27 3.84 4.14 7.55 4.45 3.55 7.91 4.14 2 0 1000.00 -999 ? >VAL~B 21 1.57 10.55 6.56 2.48 11.91 8.01 2.02 11.23 7.28 3 0 1000.00 -999 ? >TRP~B 22 1.02 14.77 4.03 -1.71 17.61 4.04 -0.35 16.19 4.03 3 0 1000.00 -999 ? >ARG~B 23 -2.85 7.25 0.27 -5.28 5.34 0.34 -4.07 6.29 0.31 2 0 1000.00 -999 ? >ASP~B 24 -2.29 7.68 7.51 -3.30 7.34 9.33 -2.79 7.51 8.42 2 0 1000.00 -999 ? >LEU.B 25 -7.80 8.62 4.97 -7.72 8.78 2.81 -7.76 8.70 3.89 3 0 1000.00 -999 ? >PRO.B 26 -8.24 6.45 8.90 -7.69 8.60 8.78 -7.96 7.53 8.84 3 0 1000.00 -999 ? >GLY~B 27 -4.97 10.79 10.63 -5.41 11.03 9.97 -5.19 10.91 10.30 1 0 1000.00 -999 ? >LEU~B 28 -6.74 13.63 7.09 -6.14 13.36 5.03 -6.44 13.50 6.06 3 0 1000.00 -999 ? >PRO~B 29 -9.24 13.86 11.00 -7.40 15.06 10.62 -8.32 14.46 10.81 3 0 1000.00 -999 ? >LEU~B 30 -3.29 14.91 13.14 -3.43 13.60 14.87 -3.36 14.26 14.01 3 0 1000.00 -999 ? >LEU~B 31 -2.57 16.74 8.23 -0.87 15.43 7.94 -1.72 16.08 8.09 3 0 1000.00 -999 ? >MET~B 32 -5.99 19.52 8.48 -6.70 18.52 4.50 -6.35 19.02 6.49 2 0 1000.00 -999 ? >THR.B 33 -7.49 20.86 11.71 -6.04 22.23 12.51 -6.77 21.55 12.11 2 0 1000.00 -999 ? >HIS.B 34 -10.42 22.21 7.66 -9.44 21.40 6.00 -9.93 21.81 6.83 3 0 1000.00 -999 ? >LEU^B 35 -10.96 17.35 8.89 -11.08 17.33 6.74 -11.02 17.34 7.81 3 0 1000.00 -999 ? >ARG^B 36 -16.58 15.56 14.54 -16.72 15.52 17.61 -16.65 15.54 16.08 2 0 1000.00 -999 ? >SER^B 37 -12.95 12.84 11.27 -15.23 12.04 11.56 -14.09 12.44 11.41 2 0 1000.00 -999 ? >VAL^B 38 -12.13 10.81 8.16 -10.78 11.66 6.66 -11.46 11.24 7.41 3 0 1000.00 -999 ? >GLU^B 39 -14.95 5.50 8.97 -17.01 5.01 8.99 -15.98 5.25 8.98 2 0 1000.00 -999 ? >VAL^B 40 -12.30 4.67 5.28 -10.34 3.85 4.72 -11.32 4.26 5.00 3 0 1000.00 -999 ? >LEU.B 41 -16.34 3.67 2.97 -17.70 4.89 4.15 -17.02 4.28 3.56 3 0 1000.00 -999 ? >ASP.B 42 -14.08 0.43 0.03 -14.80 1.96 -1.23 -14.44 1.20 -0.60 2 0 1000.00 -999 ? >ASP.B 43 -9.60 0.41 -2.25 -8.99 -1.50 -1.55 -9.29 -0.55 -1.90 2 0 1000.00 -999 ? >LYS.B 44 -11.41 4.45 -2.83 -9.58 5.97 -6.74 -10.49 5.21 -4.78 2 0 1000.00 -999 ? >ARG^B 45 -17.51 4.63 -2.26 -18.91 2.71 -0.31 -18.21 3.67 -1.28 2 0 1000.00 -999 ? >SER^B 46 -14.27 7.48 2.78 -12.58 9.07 2.01 -13.42 8.28 2.40 2 0 1000.00 -999 ? >ARG^B 47 -20.02 8.80 6.45 -21.71 7.30 4.36 -20.87 8.05 5.40 2 0 1000.00 -999 ? >TRP^B 48 -14.00 12.11 3.51 -10.85 14.43 3.13 -12.43 13.27 3.32 3 0 1000.00 -999 ? >THR^B 49 -17.02 15.00 8.96 -18.15 13.80 10.35 -17.59 14.40 9.66 2 0 1000.00 -999 ? >VAL^B 50 -16.58 18.58 10.20 -16.52 19.56 8.26 -16.55 19.07 9.23 3 0 1000.00 -999 ? >GLU^B 51 -16.47 20.00 15.24 -18.04 19.16 16.37 -17.26 19.58 15.81 2 0 1000.00 -999 ? >ALA.B 52 -21.03 22.47 12.26 -22.24 21.79 11.64 -21.63 22.13 11.95 2 0 1000.00 -999 ? >ALA.B 54 -24.49 25.26 17.16 -24.64 26.35 18.20 -24.57 25.81 17.68 2 0 1000.00 -999 ? >LEU.B 56 -25.65 21.98 12.12 -26.43 22.54 10.18 -26.04 22.26 11.15 3 0 1000.00 -999 ? >GLY.B 57 -23.63 20.20 15.20 -23.45 20.20 14.40 -23.54 20.20 14.80 1 0 1000.00 -999 ? >THR^B 58 -21.75 17.96 12.77 -20.94 16.56 14.20 -21.34 17.26 13.48 2 0 1000.00 -999 ? >VAL^B 59 -21.84 17.66 8.97 -22.55 19.28 7.70 -22.19 18.47 8.33 3 0 1000.00 -999 ? >SER^B 60 -20.55 14.64 7.06 -21.70 12.59 7.75 -21.13 13.61 7.41 2 0 1000.00 -999 ? >TRP^B 61 -17.82 14.75 1.63 -16.81 17.40 4.35 -17.31 16.07 2.99 3 0 1000.00 -999 ? >GLU^B 62 -19.04 8.24 0.63 -20.32 6.72 -0.07 -19.68 7.48 0.28 2 0 1000.00 -999 ? >ALA^B 63 -15.82 11.26 -0.75 -14.85 12.26 -0.15 -15.34 11.76 -0.45 2 0 1000.00 -999 ? >GLU^B 64 -14.16 9.57 -5.55 -15.30 8.85 -7.20 -14.73 9.21 -6.38 2 0 1000.00 -999 ? >LEU^B 65 -8.79 8.35 -3.54 -7.68 8.25 -1.69 -8.23 8.30 -2.62 3 0 1000.00 -999 ? >THR^B 66 -9.52 10.52 -7.58 -10.73 12.03 -8.54 -10.13 11.27 -8.06 2 0 1000.00 -999 ? >ALA^B 67 -5.74 10.06 -7.65 -5.17 11.31 -8.32 -5.46 10.68 -7.99 2 0 1000.00 -999 ? >ASP^B 68 -3.96 7.18 -4.60 -2.70 6.45 -3.06 -3.33 6.81 -3.83 2 0 1000.00 -999 ? >GLU^B 69 -0.20 8.99 -9.22 -0.20 10.71 -10.45 -0.20 9.85 -9.84 2 0 1000.00 -999 ? >PRO.B 70 1.84 4.72 -4.73 2.13 6.93 -4.70 1.99 5.83 -4.72 3 0 1000.00 -999 ? >GLY.B 71 5.01 9.59 -3.06 4.44 9.69 -3.57 4.73 9.64 -3.32 1 0 1000.00 -999 ? >LYS.B 72 3.68 12.03 -5.66 6.86 9.36 -9.47 5.27 10.70 -7.57 2 0 1000.00 -999 ? >ARG^B 73 -1.74 12.92 -8.54 -2.91 15.05 -10.38 -2.32 13.98 -9.46 2 0 1000.00 -999 ? >ILE^B 74 -3.16 12.15 -2.02 -3.07 11.27 -0.85 -3.11 11.71 -1.44 3 0 1000.00 -999 ? >ALA^B 75 -6.52 13.89 -4.75 -6.52 14.23 -6.25 -6.52 14.06 -5.50 2 0 1000.00 -999 ? >TRP^B 76 -10.87 15.30 -0.65 -7.13 16.19 0.20 -9.00 15.74 -0.23 3 0 1000.00 -999 ? >ARG^B 77 -14.10 14.07 -7.89 -13.95 12.59 -10.56 -14.03 13.33 -9.22 2 0 1000.00 -999 ? >SER^B 78 -17.02 14.73 -2.55 -17.76 16.97 -2.99 -17.39 15.85 -2.77 2 0 1000.00 -999 ? >LEU.B 79 -19.95 11.09 -3.78 -18.71 9.32 -3.66 -19.33 10.21 -3.72 3 0 1000.00 -999 ? >PRO.B 80 -22.00 12.81 -7.81 -22.09 13.57 -5.71 -22.05 13.19 -6.76 3 0 1000.00 -999 ? >GLY.B 81 -25.35 14.77 -3.23 -24.57 14.97 -3.09 -24.96 14.87 -3.16 1 0 1000.00 -999 ? >ALA.B 82 -22.76 15.50 -0.55 -21.25 15.60 -0.79 -22.00 15.55 -0.67 2 0 1000.00 -999 ? >ARG.B 83 -25.09 16.68 5.60 -25.73 13.74 6.24 -25.41 15.21 5.92 2 0 1000.00 -999 ? >ILE.B 84 -19.88 20.13 2.60 -20.24 21.48 2.95 -20.06 20.81 2.78 3 0 1000.00 -999 ? >GLU^B 85 -20.94 20.56 -3.70 -21.84 22.14 -4.79 -21.39 21.35 -4.25 2 0 1000.00 -999 ? >ASN^B 86 -15.05 19.78 -0.10 -14.93 17.79 0.63 -14.99 18.79 0.26 2 0 1000.00 -999 ? >SER^B 87 -12.20 18.55 -3.24 -11.77 20.23 -4.92 -11.98 19.39 -4.08 2 0 1000.00 -999 ? >GLY^B 88 -8.54 18.47 -2.35 -8.65 17.98 -3.03 -8.60 18.23 -2.69 1 0 1000.00 -999 ? >GLU^B 89 -4.06 17.68 -6.11 -3.87 18.64 -7.98 -3.97 18.16 -7.05 2 0 1000.00 -999 ? >VAL^B 90 -1.75 17.40 -2.15 -1.59 17.16 0.02 -1.67 17.28 -1.06 3 0 1000.00 -999 ? >LEU^B 91 1.57 18.17 -5.46 0.44 18.27 -7.29 1.01 18.22 -6.37 3 0 1000.00 -999 ? >PHE^B 92 3.90 14.50 -1.49 1.88 14.17 0.43 2.89 14.33 -0.53 3 0 1000.00 -999 ? >ARG^B 93 4.94 20.44 -7.14 4.92 23.50 -7.23 4.93 21.97 -7.18 2 0 1000.00 -999 ? >PRO^B 94 10.94 16.59 -7.35 10.42 18.00 -5.71 10.68 17.30 -6.53 3 0 1000.00 -999 ? >ALA.B 95 12.18 21.40 -3.93 12.53 21.58 -2.46 12.36 21.49 -3.19 2 0 1000.00 -999 ? >PRO.B 96 12.05 24.74 -6.72 13.61 23.37 -5.92 12.83 24.06 -6.32 3 0 1000.00 -999 ? >GLY.B 97 16.80 24.69 -3.89 16.63 24.01 -4.32 16.71 24.35 -4.11 1 0 1000.00 -999 ? >ALA.B 98 18.25 21.25 -3.25 19.73 21.56 -3.04 18.99 21.40 -3.15 2 0 1000.00 -999 ? >GLY.B 100 13.67 18.38 0.51 13.73 18.11 -0.28 13.70 18.24 0.12 1 0 1000.00 -999 ? >THR^B 101 10.13 18.08 -0.78 9.28 16.11 -0.93 9.70 17.10 -0.85 2 0 1000.00 -999 ? >GLU^B 102 6.77 23.04 -2.40 7.03 24.56 -3.85 6.90 23.80 -3.13 2 0 1000.00 -999 ? >VAL^B 103 4.22 19.83 -0.20 3.65 18.60 1.51 3.93 19.22 0.65 3 0 1000.00 -999 ? >VAL^B 104 1.51 21.72 -2.07 1.93 22.73 -3.97 1.72 22.23 -3.02 3 0 1000.00 -999 ? >VAL^B 105 -2.05 21.66 -0.71 -2.46 20.92 1.32 -2.25 21.29 0.30 3 0 1000.00 -999 ? >ARG^B 106 -5.95 23.90 -6.21 -7.04 25.28 -8.73 -6.49 24.59 -7.47 2 0 1000.00 -999 ? >LEU^B 107 -8.63 22.62 0.60 -7.49 21.33 1.88 -8.06 21.97 1.24 3 0 1000.00 -999 ? >THR^B 108 -11.99 23.82 -2.21 -11.83 23.13 -4.26 -11.91 23.48 -3.24 2 0 1000.00 -999 ? >SER~B 129 -5.86 30.00 4.57 -5.81 32.35 3.90 -5.84 31.18 4.24 2 0 1000.00 -999 ? >GLN~B 130 -3.90 32.46 9.99 -1.97 33.10 9.35 -2.93 32.78 9.67 2 0 1000.00 -999 ? >GLN~B 131 -7.03 25.92 10.34 -8.60 25.76 11.79 -7.82 25.84 11.07 2 0 1000.00 -999 ? >LEU~B 132 -4.38 25.86 5.15 -4.07 24.28 3.67 -4.22 25.07 4.41 3 0 1000.00 -999 ? >ARG~B 133 1.92 29.19 6.31 2.13 31.59 4.43 2.02 30.39 5.37 2 0 1000.00 -999 ? >ASP~B 134 -1.44 27.38 11.68 -1.55 29.49 11.94 -1.49 28.44 11.81 2 0 1000.00 -999 ? >ASP~B 135 -2.48 22.71 9.33 -4.26 22.98 10.46 -3.37 22.84 9.90 2 0 1000.00 -999 ? >LEU~B 136 1.41 23.75 5.97 0.56 22.83 4.20 0.98 23.29 5.09 3 0 1000.00 -999 ? >MET~B 137 4.08 24.81 9.43 3.88 29.00 9.46 3.98 26.90 9.44 2 0 1000.00 -999 ? >ARG~B 138 0.75 23.38 15.05 -1.44 21.61 13.89 -0.35 22.50 14.47 2 0 1000.00 -999 ? >PHE~B 139 3.18 18.14 7.90 3.79 15.90 6.31 3.48 17.02 7.11 3 0 1000.00 -999 ? >LYS~B 140 7.03 20.87 8.80 11.23 24.09 7.86 9.13 22.48 8.33 2 0 1000.00 -999 ? >ARG~B 141 7.74 23.19 15.71 7.43 21.69 18.36 7.58 22.44 17.04 2 0 1000.00 -999 ? >GLU~B 142 4.86 18.28 14.59 2.79 17.90 14.47 3.82 18.09 14.53 2 0 1000.00 -999 ? >GLN~B 143 6.86 15.59 8.81 6.88 13.47 9.06 6.87 14.53 8.94 2 0 1000.00 -999 ? >GLU~B 144 11.59 19.78 8.82 12.40 21.50 7.91 11.99 20.64 8.36 2 0 1000.00 -999 ? >LEU~B 145 11.59 18.13 15.42 12.10 20.13 16.04 11.85 19.13 15.73 3 0 1000.00 -999 ? >GLY~B 146 11.22 13.76 14.16 10.83 14.26 14.62 11.02 14.01 14.39 1 0 1000.00 -999 ? >LEU.B 147 8.47 15.08 17.94 7.96 16.91 16.98 8.21 15.99 17.46 3 0 1000.00 -999 ?