REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 31-JAN-10 2X4I COMPND UNCHARACTERIZED PROTEIN 114; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: CAG38848; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ISLANDICUS RUDIVIRUS 1 VARIANT XX; SOURCE 3 ORGANISM_TAXID: 282066; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDEST14 AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,J.H.NAISMITH,M.F.WHITE SSBOND 1 CYS A 33 CYS A 58 1555 1555 2.06 SSBOND 2 CYS B 33 CYS B 58 1555 1555 2.04 SSBOND 3 CYS C 33 CYS C 58 1555 1555 2.03 SSBOND 4 CYS D 33 CYS D 58 1555 1555 2.04 >ASN.A 2 -12.30 23.73 -3.49 -10.42 22.72 -3.55 -11.36 23.22 -3.52 2 0 1000.00 -999 ? >LYS.A 3 -16.07 25.88 -5.65 -15.14 30.09 -9.67 -15.60 27.99 -7.66 2 0 1000.00 -999 ? >VAL^A 4 -19.44 25.37 -3.95 -19.60 25.02 -1.80 -19.52 25.20 -2.88 3 0 1000.00 -999 ? >TYR^A 5 -21.70 25.60 -8.12 -19.57 26.38 -9.75 -20.63 25.99 -8.93 3 0 1000.00 -999 ? >LEU^A 6 -26.88 27.14 -3.90 -28.56 26.97 -2.51 -27.72 27.05 -3.21 3 0 1000.00 -999 ? >ALA^A 7 -28.91 24.79 -7.45 -28.19 24.00 -8.52 -28.55 24.40 -7.99 2 0 1000.00 -999 ? >ASN.A 8 -33.60 24.13 -8.14 -33.62 24.91 -10.12 -33.61 24.52 -9.13 2 0 1000.00 -999 ? >ALA.A 9 -31.16 20.34 -9.90 -31.82 20.55 -11.28 -31.49 20.44 -10.59 2 0 1000.00 -999 ? >PHE.A 10 -26.45 16.45 -10.48 -24.12 15.28 -11.45 -25.28 15.86 -10.96 3 0 1000.00 -999 ? >SER~A 11 -27.60 17.71 -14.53 -28.22 18.39 -16.75 -27.91 18.05 -15.64 2 0 1000.00 -999 ? >ILE~A 12 -25.44 14.64 -17.59 -25.32 13.30 -18.17 -25.38 13.97 -17.88 3 0 1000.00 -999 ? >ASN~A 13 -25.69 19.85 -19.16 -26.65 19.02 -20.89 -26.17 19.44 -20.02 2 0 1000.00 -999 ? >MET~A 14 -22.94 20.49 -15.47 -25.63 20.85 -12.26 -24.29 20.67 -13.86 2 0 1000.00 -999 ? >LEU.A 15 -20.22 16.51 -15.84 -20.75 15.44 -14.01 -20.49 15.98 -14.92 3 0 1000.00 -999 ? >THR.A 16 -16.92 19.04 -17.85 -16.25 20.55 -16.46 -16.59 19.80 -17.16 2 0 1000.00 -999 ? >LYS.A 17 -14.69 15.91 -17.75 -8.68 17.55 -17.13 -11.68 16.73 -17.44 2 0 1000.00 -999 ? >PHE.A 18 -17.82 13.05 -19.20 -19.92 14.84 -18.83 -18.87 13.95 -19.02 3 0 1000.00 -999 ? >PRO.A 19 -14.06 7.92 -17.04 -15.10 9.89 -17.31 -14.58 8.91 -17.17 3 0 1000.00 -999 ? >THR^A 20 -16.48 11.57 -13.57 -16.96 13.68 -13.18 -16.72 12.62 -13.38 2 0 1000.00 -999 ? >LYS^A 21 -17.42 10.23 -10.13 -15.78 4.77 -9.27 -16.60 7.50 -9.70 2 0 1000.00 -999 ? >VAL^A 22 -20.29 11.87 -8.25 -21.51 13.30 -9.37 -20.90 12.58 -8.81 3 0 1000.00 -999 ? >VAL^A 23 -21.19 11.14 -4.60 -19.85 10.51 -3.00 -20.52 10.82 -3.80 3 0 1000.00 -999 ? >ILE^A 24 -25.86 11.84 -4.72 -26.74 12.38 -5.81 -26.30 12.11 -5.27 3 0 1000.00 -999 ? >ASP^A 25 -24.95 12.56 1.06 -25.69 12.08 3.02 -25.32 12.32 2.04 2 0 1000.00 -999 ? >LYS^A 26 -29.40 13.36 1.25 -35.53 11.77 1.00 -32.47 12.56 1.13 2 0 1000.00 -999 ? >ILE^A 27 -27.92 16.97 3.81 -27.01 17.76 3.01 -27.46 17.37 3.41 3 0 1000.00 -999 ? >ASP~A 28 -31.40 16.80 8.18 -29.78 17.40 9.38 -30.59 17.10 8.78 2 0 1000.00 -999 ? >ARG~A 29 -35.57 21.70 8.87 -35.87 22.07 11.92 -35.72 21.88 10.39 2 0 1000.00 -999 ? >LEU~A 30 -29.15 20.69 10.96 -27.52 20.65 12.44 -28.34 20.67 11.70 3 0 1000.00 -999 ? >GLU~A 31 -25.34 18.79 5.97 -23.58 18.24 6.94 -24.46 18.51 6.45 2 0 1000.00 -999 ? >PHE~A 32 -29.89 22.97 2.63 -30.43 24.58 0.45 -30.16 23.77 1.54 3 0 1000.00 -999 ? >CSS~A 33 -28.62 25.62 6.13 -31.38 25.96 6.73 -30.00 25.79 6.43 2 0 1000.00 -999 ? >GLU~A 34 -24.41 24.78 10.05 -23.97 23.16 11.34 -24.19 23.97 10.69 2 0 1000.00 -999 ? >ASN~A 35 -23.51 23.51 3.58 -22.70 21.90 4.71 -23.11 22.71 4.15 2 0 1000.00 -999 ? >ILE~A 36 -26.76 27.33 1.77 -28.10 26.87 1.71 -27.43 27.10 1.74 3 0 1000.00 -999 ? >ASP~A 37 -24.97 30.05 6.37 -24.68 31.89 7.36 -24.82 30.97 6.86 2 0 1000.00 -999 ? >ASN.A 38 -20.80 29.34 2.62 -18.93 29.29 1.56 -19.86 29.32 2.09 2 0 1000.00 -999 ? >GLU.A 39 -19.22 35.39 3.53 -17.85 36.81 4.29 -18.53 36.10 3.91 2 0 1000.00 -999 ? >ASP.A 40 -16.80 31.29 -1.10 -15.40 32.69 -0.38 -16.10 31.99 -0.74 2 0 1000.00 -999 ? >ILE^A 41 -22.30 29.21 -1.44 -23.56 28.73 -1.11 -22.93 28.97 -1.28 3 0 1000.00 -999 ? >ILE^A 42 -21.59 29.91 -7.13 -20.62 30.05 -8.06 -21.10 29.98 -7.60 3 0 1000.00 -999 ? >ASN^A 43 -27.06 31.76 -5.52 -29.16 31.73 -5.88 -28.11 31.75 -5.70 2 0 1000.00 -999 ? >SER.A 44 -27.81 29.43 -9.55 -27.53 27.06 -9.50 -27.67 28.24 -9.52 2 0 1000.00 -999 ? >ILE.A 45 -31.92 29.04 -7.01 -32.56 28.16 -6.04 -32.24 28.60 -6.53 3 0 1000.00 -999 ? >GLY.A 46 -33.76 31.35 -10.76 -34.12 30.93 -10.20 -33.94 31.14 -10.48 1 0 1000.00 -999 ? >HIS~A 47 -38.30 28.65 -10.10 -39.15 27.66 -11.75 -38.72 28.16 -10.92 3 0 1000.00 -999 ? >ASP~A 48 -38.64 34.76 -6.85 -38.28 36.20 -5.32 -38.46 35.48 -6.09 2 0 1000.00 -999 ? >SER~A 49 -40.25 31.03 -4.75 -41.09 29.44 -6.36 -40.67 30.23 -5.55 2 0 1000.00 -999 ? >THR~A 50 -37.37 28.60 -4.26 -36.62 26.96 -5.44 -36.99 27.78 -4.85 2 0 1000.00 -999 ? >ILE~A 51 -34.68 32.71 -3.98 -33.22 32.78 -3.87 -33.95 32.75 -3.93 3 0 1000.00 -999 ? >GLN~A 52 -38.39 34.90 -1.96 -36.68 36.11 -1.45 -37.54 35.51 -1.71 2 0 1000.00 -999 ? >LEU~A 53 -38.50 28.12 -0.36 -38.86 25.99 -0.10 -38.68 27.06 -0.23 3 0 1000.00 -999 ? >ILE~A 54 -33.47 28.18 0.61 -33.10 27.74 -0.88 -33.29 27.96 -0.14 3 0 1000.00 -999 ? >ASN~A 55 -34.40 33.58 1.86 -32.89 34.04 0.43 -33.65 33.81 1.15 2 0 1000.00 -999 ? >SER~A 56 -37.10 31.96 5.08 -38.93 33.04 3.92 -38.01 32.50 4.50 2 0 1000.00 -999 ? >LEU~A 57 -35.74 27.30 5.34 -35.93 25.18 5.80 -35.83 26.24 5.57 3 0 1000.00 -999 ? >CSS~A 58 -32.12 29.27 6.67 -31.43 27.14 5.03 -31.78 28.20 5.85 2 0 1000.00 -999 ? >GLY~A 59 -32.23 33.03 7.26 -31.86 32.67 6.65 -32.04 32.85 6.95 1 0 1000.00 -999 ? >THR.A 60 -29.99 33.72 4.22 -29.57 31.78 3.37 -29.78 32.75 3.79 2 0 1000.00 -999 ? >THR.A 61 -30.07 36.70 1.80 -29.02 38.09 3.15 -29.55 37.39 2.48 2 0 1000.00 -999 ? >PHE.A 62 -28.95 32.73 -1.33 -26.91 31.22 -0.20 -27.93 31.97 -0.77 3 0 1000.00 -999 ? >GLN.A 63 -29.55 38.31 -5.34 -28.31 38.25 -3.62 -28.93 38.28 -4.48 2 0 1000.00 -999 ? >LYS.A 64 -32.60 35.03 -8.01 -37.25 38.02 -11.14 -34.93 36.52 -9.57 2 0 1000.00 -999 ? >ASN.A 65 -28.23 34.89 -9.16 -26.42 35.31 -10.20 -27.33 35.10 -9.68 2 0 1000.00 -999 ? >ARG.A 66 -32.80 31.66 -15.10 -32.37 33.64 -17.46 -32.58 32.65 -16.28 2 0 1000.00 -999 ? >VAL.A 67 -26.04 30.99 -13.90 -24.39 31.80 -12.65 -25.22 31.39 -13.27 3 0 1000.00 -999 ? >GLU.A 68 -24.34 26.70 -18.11 -24.10 26.70 -20.20 -24.22 26.70 -19.16 2 0 1000.00 -999 ? >ILE.A 69 -23.10 25.75 -12.27 -24.19 25.71 -11.22 -23.65 25.73 -11.75 3 0 1000.00 -999 ? >LYS.A 70 -19.85 23.76 -14.80 -20.67 23.02 -20.14 -20.26 23.39 -17.47 2 0 1000.00 -999 ? >LEU.A 71 -19.14 20.30 -11.56 -20.89 20.54 -10.31 -20.01 20.42 -10.94 3 0 1000.00 -999 ? >GLU.A 72 -13.65 22.38 -13.19 -12.06 23.76 -13.26 -12.85 23.07 -13.23 2 0 1000.00 -999 ? >LYS.A 73 -12.97 17.89 -9.68 -8.41 14.07 -11.75 -10.69 15.98 -10.72 2 0 1000.00 -999 ? >GLU.A 74 -11.04 18.05 -5.59 -9.09 18.88 -5.47 -10.06 18.47 -5.53 2 0 1000.00 -999 ? >ASP.A 75 -16.91 21.68 -7.90 -15.56 23.08 -8.77 -16.24 22.38 -8.33 2 0 1000.00 -999 ? >LYS^A 76 -19.59 20.71 -4.46 -19.04 18.93 0.43 -19.32 19.82 -2.01 2 0 1000.00 -999 ? >LEU^A 77 -23.72 20.68 -6.58 -25.32 21.41 -7.85 -24.52 21.04 -7.22 3 0 1000.00 -999 ? >TYR^A 78 -24.81 22.23 -0.50 -22.86 21.20 1.19 -23.83 21.72 0.34 3 0 1000.00 -999 ? >VAL^A 79 -29.42 20.96 -4.24 -29.59 19.70 -6.02 -29.50 20.33 -5.13 3 0 1000.00 -999 ? >VAL^A 80 -32.99 21.91 -3.25 -33.51 23.73 -2.21 -33.25 22.82 -2.73 3 0 1000.00 -999 ? >GLN^A 81 -35.76 17.27 -5.91 -35.82 15.16 -5.50 -35.79 16.22 -5.70 2 0 1000.00 -999 ? >ILE^A 82 -39.68 22.10 -4.39 -39.73 22.46 -2.98 -39.70 22.28 -3.68 3 0 1000.00 -999 ? >SER.A 83 -41.94 18.24 -5.67 -40.65 16.25 -5.12 -41.30 17.25 -5.39 2 0 1000.00 -999 ? >ILE.A 91 -48.03 32.04 0.83 -48.62 31.82 -0.44 -48.32 31.93 0.20 3 0 1000.00 -999 ? >LEU.A 92 -43.37 30.57 1.35 -43.26 29.06 -0.26 -43.31 29.81 0.55 3 0 1000.00 -999 ? >THR~A 93 -44.08 31.02 6.24 -46.06 31.06 7.11 -45.07 31.04 6.68 2 0 1000.00 -999 ? >LEU~A 94 -40.79 29.50 9.42 -38.98 28.70 10.27 -39.88 29.10 9.85 3 0 1000.00 -999 ? >GLU~A 95 -46.87 26.42 10.51 -48.69 27.31 11.11 -47.78 26.86 10.81 2 0 1000.00 -999 ? >GLU~A 96 -47.53 27.50 5.18 -47.85 29.54 4.70 -47.69 28.52 4.94 2 0 1000.00 -999 ? >ILE~A 97 -40.90 26.41 4.78 -39.88 27.23 4.15 -40.39 26.82 4.46 3 0 1000.00 -999 ? >LEU~A 98 -41.35 23.42 9.16 -39.54 24.14 10.17 -40.45 23.78 9.66 3 0 1000.00 -999 ? >LYS~A 99 -44.77 21.14 6.98 -49.41 17.91 7.49 -47.09 19.53 7.23 2 0 1000.00 -999 ? >LEU~A 100 -43.24 21.81 2.39 -44.78 22.76 1.21 -44.01 22.29 1.80 3 0 1000.00 -999 ? >TYR~A 101 -37.97 19.48 5.93 -35.79 17.99 6.80 -36.88 18.74 6.37 3 0 1000.00 -999 ? >GLU~A 102 -41.87 18.33 9.25 -41.03 17.00 10.64 -41.45 17.67 9.95 2 0 1000.00 -999 ? >SER~A 103 -44.44 16.13 4.19 -46.37 17.62 4.03 -45.41 16.88 4.11 2 0 1000.00 -999 ? >GLY~A 104 -41.29 15.06 2.30 -41.73 15.73 2.07 -41.51 15.40 2.18 1 0 1000.00 -999 ? >LYS.A 105 -42.11 17.48 -0.51 -46.88 16.78 -2.21 -44.49 17.13 -1.36 2 0 1000.00 -999 ? >VAL^A 106 -38.89 19.49 0.01 -38.85 21.62 0.49 -38.87 20.56 0.25 3 0 1000.00 -999 ? >GLN^A 107 -36.98 15.48 -0.21 -37.21 13.55 -1.03 -37.10 14.51 -0.62 2 0 1000.00 -999 ? >PHE^A 108 -32.65 20.43 1.88 -34.62 22.25 2.61 -33.64 21.34 2.24 3 0 1000.00 -999 ? >PHE^A 109 -30.46 15.45 -2.53 -32.76 13.91 -2.48 -31.61 14.68 -2.51 3 0 1000.00 -999 ? >GLU^A 110 -22.87 17.64 -0.02 -21.83 17.18 1.77 -22.35 17.41 0.88 2 0 1000.00 -999 ? >ILE^A 111 -23.91 16.73 -5.78 -24.63 16.22 -7.02 -24.27 16.47 -6.40 3 0 1000.00 -999 ? >ILE^A 112 -18.78 15.28 -3.23 -17.98 15.39 -1.99 -18.38 15.34 -2.61 3 0 1000.00 -999 ? >VAL.A 113 -17.62 15.74 -7.75 -17.92 16.94 -9.56 -17.77 16.34 -8.65 3 0 1000.00 -999 ? >ASN.B 2 -27.92 -4.67 -12.61 -27.03 -4.76 -14.56 -27.48 -4.72 -13.59 2 0 1000.00 -999 ? >LYS.B 3 -31.71 -3.75 -14.84 -37.52 -2.68 -12.81 -34.61 -3.22 -13.82 2 0 1000.00 -999 ? >VAL^B 4 -30.74 -1.46 -17.72 -29.20 -1.99 -19.18 -29.97 -1.72 -18.45 3 0 1000.00 -999 ? >TYR^B 5 -33.93 1.84 -16.22 -35.34 0.52 -14.17 -34.63 1.18 -15.19 3 0 1000.00 -999 ? >LEU^B 6 -33.21 3.75 -22.73 -32.89 4.63 -24.70 -33.05 4.19 -23.72 3 0 1000.00 -999 ? >ALA^B 7 -33.87 7.92 -20.67 -33.86 8.13 -19.14 -33.86 8.02 -19.91 2 0 1000.00 -999 ? >ASN.B 8 -34.51 12.28 -22.53 -36.01 13.19 -21.29 -35.26 12.73 -21.91 2 0 1000.00 -999 ? >ALA.B 9 -32.09 12.63 -18.39 -33.08 13.71 -17.96 -32.58 13.17 -18.18 2 0 1000.00 -999 ? >PHE.B 10 -28.72 10.88 -13.51 -28.08 10.18 -10.90 -28.40 10.53 -12.21 3 0 1000.00 -999 ? >SER~B 11 -32.17 13.08 -12.02 -34.26 13.90 -11.09 -33.22 13.49 -11.56 2 0 1000.00 -999 ? >ILE~B 12 -31.44 13.89 -7.29 -30.76 14.67 -6.32 -31.10 14.28 -6.80 3 0 1000.00 -999 ? >ASN~B 13 -36.47 12.27 -8.01 -36.92 12.51 -10.07 -36.69 12.39 -9.04 2 0 1000.00 -999 ? >MET~B 14 -34.26 8.36 -9.70 -33.09 9.02 -13.60 -33.68 8.69 -11.65 2 0 1000.00 -999 ? >LEU.B 15 -30.90 8.02 -6.26 -29.04 8.30 -7.27 -29.97 8.16 -6.77 3 0 1000.00 -999 ? >THR.B 16 -33.63 5.18 -3.89 -33.86 3.15 -4.68 -33.75 4.16 -4.29 2 0 1000.00 -999 ? >LYS.B 17 -30.83 4.79 -1.31 -31.64 -0.30 1.61 -31.23 2.24 0.15 2 0 1000.00 -999 ? >PHE.B 18 -30.14 9.32 -1.08 -31.72 9.96 -3.28 -30.93 9.64 -2.18 3 0 1000.00 -999 ? >PRO.B 19 -24.29 7.80 1.98 -26.12 7.91 0.67 -25.20 7.86 1.32 3 0 1000.00 -999 ? >THR^B 20 -24.96 6.85 -3.40 -26.46 6.06 -4.76 -25.71 6.46 -4.08 2 0 1000.00 -999 ? >LYS^B 21 -22.05 6.95 -5.82 -16.24 6.76 -4.82 -19.14 6.85 -5.32 2 0 1000.00 -999 ? >VAL^B 22 -22.72 7.40 -9.56 -24.62 8.31 -10.10 -23.67 7.85 -9.83 3 0 1000.00 -999 ? >VAL^B 23 -20.13 6.93 -12.32 -18.43 5.58 -12.17 -19.28 6.26 -12.24 3 0 1000.00 -999 ? >ILE^B 24 -21.59 10.28 -15.30 -22.68 11.18 -15.10 -22.14 10.73 -15.20 3 0 1000.00 -999 ? >ASP^B 25 -18.34 7.20 -19.00 -16.52 7.43 -20.07 -17.43 7.31 -19.54 2 0 1000.00 -999 ? >LYS^B 26 -19.61 10.16 -22.19 -18.34 13.70 -26.49 -18.98 11.93 -24.34 2 0 1000.00 -999 ? >ILE^B 27 -20.45 6.24 -24.59 -21.38 5.45 -23.74 -20.91 5.85 -24.17 3 0 1000.00 -999 ? >ASP~B 28 -18.71 7.45 -29.74 -17.99 5.45 -29.79 -18.35 6.45 -29.76 2 0 1000.00 -999 ? >ARG~B 29 -24.37 7.06 -34.60 -21.79 6.36 -36.16 -23.08 6.71 -35.38 2 0 1000.00 -999 ? >LEU~B 30 -19.97 2.73 -32.31 -19.66 2.30 -34.46 -19.82 2.51 -33.38 3 0 1000.00 -999 ? >GLU~B 31 -19.96 1.93 -25.64 -18.44 2.64 -24.33 -19.20 2.28 -24.99 2 0 1000.00 -999 ? >PHE~B 32 -26.45 5.30 -27.32 -29.08 5.94 -26.69 -27.76 5.62 -27.01 3 0 1000.00 -999 ? >CSS~B 33 -26.43 1.63 -29.97 -26.79 3.51 -32.00 -26.61 2.57 -30.98 2 0 1000.00 -999 ? >GLU~B 34 -22.41 -3.08 -29.00 -20.31 -3.21 -28.77 -21.36 -3.14 -28.89 2 0 1000.00 -999 ? >ASN~B 35 -25.24 -0.17 -24.48 -23.25 -0.55 -23.83 -24.24 -0.36 -24.15 2 0 1000.00 -999 ? >ILE~B 36 -29.93 1.06 -26.34 -29.83 2.44 -26.71 -29.88 1.75 -26.52 3 0 1000.00 -999 ? >ASP~B 37 -29.17 -2.99 -30.21 -30.14 -4.14 -31.74 -29.65 -3.57 -30.97 2 0 1000.00 -999 ? >ASN.B 38 -30.25 -5.16 -24.89 -28.16 -5.59 -24.85 -29.20 -5.37 -24.87 2 0 1000.00 -999 ? >GLU.B 39 -33.20 -9.80 -26.42 -33.58 -11.89 -26.54 -33.39 -10.85 -26.48 2 0 1000.00 -999 ? >ASP.B 40 -33.32 -7.21 -20.73 -33.25 -9.27 -21.23 -33.28 -8.24 -20.98 2 0 1000.00 -999 ? >ILE.B 41 -32.80 -1.81 -22.90 -32.55 -0.59 -23.71 -32.68 -1.20 -23.30 3 0 1000.00 -999 ? >ILE^B 42 -36.72 -0.59 -18.79 -37.43 -1.07 -17.63 -37.07 -0.83 -18.21 3 0 1000.00 -999 ? >ASN^B 43 -38.02 2.44 -23.62 -38.39 4.22 -24.76 -38.21 3.33 -24.19 2 0 1000.00 -999 ? >SER.B 44 -38.65 5.86 -20.43 -36.67 6.59 -19.22 -37.66 6.22 -19.82 2 0 1000.00 -999 ? >ILE.B 45 -37.32 8.23 -24.48 -36.06 8.81 -25.06 -36.69 8.52 -24.77 3 0 1000.00 -999 ? >GLY.B 46 -41.85 9.68 -24.15 -41.22 10.03 -24.54 -41.53 9.86 -24.34 1 0 1000.00 -999 ? >HIS~B 47 -40.06 14.18 -25.66 -40.50 15.65 -24.23 -40.28 14.91 -24.95 3 0 1000.00 -999 ? >ASP~B 48 -42.94 10.85 -31.14 -43.49 9.21 -32.35 -43.22 10.03 -31.74 2 0 1000.00 -999 ? >SER~B 49 -39.00 12.70 -32.07 -39.96 14.86 -32.67 -39.48 13.78 -32.37 2 0 1000.00 -999 ? >THR~B 50 -36.26 11.41 -29.74 -35.51 12.08 -27.83 -35.89 11.75 -28.78 2 0 1000.00 -999 ? >ILE~B 51 -38.87 7.28 -29.89 -38.58 6.13 -29.12 -38.72 6.70 -29.50 3 0 1000.00 -999 ? >GLN~B 52 -39.73 8.81 -34.73 -40.97 10.43 -35.34 -40.35 9.62 -35.04 2 0 1000.00 -999 ? >LEU~B 53 -33.34 10.76 -33.00 -31.49 11.87 -33.24 -32.42 11.32 -33.12 3 0 1000.00 -999 ? >ILE~B 54 -32.98 6.28 -30.24 -32.73 6.09 -28.81 -32.85 6.18 -29.53 3 0 1000.00 -999 ? >ASN~B 55 -35.91 4.22 -34.20 -37.13 3.51 -32.58 -36.52 3.86 -33.39 2 0 1000.00 -999 ? >SER~B 56 -32.92 5.94 -36.99 -34.51 7.52 -37.98 -33.72 6.73 -37.49 2 0 1000.00 -999 ? >LEU~B 57 -29.14 7.00 -34.29 -27.47 8.33 -34.02 -28.30 7.66 -34.16 3 0 1000.00 -999 ? >CSS~B 58 -29.27 2.58 -34.01 -28.76 3.71 -31.54 -29.02 3.14 -32.78 2 0 1000.00 -999 ? >GLY~B 59 -31.77 0.69 -36.18 -31.82 0.76 -35.35 -31.79 0.73 -35.76 1 0 1000.00 -999 ? >THR.B 60 -34.01 -0.31 -33.27 -32.87 0.51 -31.62 -33.44 0.10 -32.44 2 0 1000.00 -999 ? >THR.B 61 -37.82 -0.23 -32.79 -38.11 -2.15 -33.75 -37.96 -1.19 -33.27 2 0 1000.00 -999 ? >PHE.B 62 -36.41 1.66 -28.23 -34.22 0.20 -27.30 -35.32 0.93 -27.76 3 0 1000.00 -999 ? >GLN.B 63 -43.06 0.90 -29.67 -44.88 -0.14 -30.04 -43.97 0.38 -29.86 2 0 1000.00 -999 ? >LYS.B 64 -42.75 6.31 -27.01 -47.55 9.72 -29.44 -45.15 8.02 -28.23 2 0 1000.00 -999 ? >ASN.B 65 -42.80 3.74 -23.32 -43.80 2.74 -21.72 -43.30 3.24 -22.52 2 0 1000.00 -999 ? >ARG.B 66 -44.35 11.12 -20.09 -47.44 10.90 -19.82 -45.89 11.01 -19.96 2 0 1000.00 -999 ? >VAL.B 67 -42.14 5.58 -17.12 -41.94 3.39 -17.34 -42.04 4.49 -17.23 3 0 1000.00 -999 ? >GLU.B 68 -41.43 8.47 -11.95 -42.86 9.18 -10.59 -42.14 8.82 -11.27 2 0 1000.00 -999 ? >ILE.B 69 -36.56 4.73 -14.16 -36.15 5.14 -15.66 -36.36 4.94 -14.91 3 0 1000.00 -999 ? >LYS.B 70 -35.98 4.03 -9.71 -37.44 7.45 -5.66 -36.71 5.74 -7.68 2 0 1000.00 -999 ? >LEU.B 71 -31.25 3.90 -10.41 -31.08 4.52 -12.44 -31.16 4.21 -11.42 3 0 1000.00 -999 ? >GLU.B 72 -33.12 -0.71 -6.72 -34.15 -2.56 -6.81 -33.63 -1.64 -6.76 2 0 1000.00 -999 ? >LYS.B 73 -27.34 -0.66 -6.91 -24.52 -1.02 -1.35 -25.93 -0.84 -4.13 2 0 1000.00 -999 ? >GLU.B 74 -24.67 -3.89 -8.86 -24.64 -6.00 -8.65 -24.66 -4.94 -8.75 2 0 1000.00 -999 ? >ASP.B 75 -29.84 0.03 -11.99 -31.24 -1.36 -11.18 -30.54 -0.66 -11.59 2 0 1000.00 -999 ? >LYS^B 76 -27.33 1.03 -15.62 -23.32 -2.16 -18.84 -25.33 -0.56 -17.23 2 0 1000.00 -999 ? >LEU^B 77 -29.10 5.20 -16.36 -30.70 6.62 -16.41 -29.90 5.91 -16.39 3 0 1000.00 -999 ? >TYR^B 78 -27.00 3.02 -21.87 -24.98 1.16 -21.39 -25.99 2.09 -21.63 3 0 1000.00 -999 ? >VAL^B 79 -28.95 8.72 -21.45 -29.01 10.17 -19.81 -28.98 9.45 -20.63 3 0 1000.00 -999 ? >VAL^B 80 -29.54 10.65 -24.67 -30.24 10.03 -26.64 -29.89 10.34 -25.65 3 0 1000.00 -999 ? >GLN^B 81 -27.76 15.92 -22.07 -28.74 15.78 -20.16 -28.25 15.85 -21.12 2 0 1000.00 -999 ? >ILE.B 82 -31.79 17.12 -26.35 -32.86 16.83 -27.41 -32.33 16.98 -26.88 3 0 1000.00 -999 ? >SER.B 83 -29.02 20.59 -25.65 -29.23 22.47 -24.07 -29.13 21.53 -24.86 2 0 1000.00 -999 ? >THR~B 93 -39.97 17.48 -34.70 -40.39 19.08 -36.14 -40.18 18.28 -35.42 2 0 1000.00 -999 ? >LEU~B 94 -38.09 13.52 -36.91 -36.80 11.85 -37.49 -37.45 12.69 -37.20 3 0 1000.00 -999 ? >GLU~B 95 -37.65 17.35 -40.63 -39.61 16.66 -40.13 -38.63 17.00 -40.38 2 0 1000.00 -999 ? >GLU~B 96 -35.89 22.17 -35.45 -33.95 23.05 -35.63 -34.92 22.61 -35.54 2 0 1000.00 -999 ? >ILE~B 97 -34.38 15.81 -32.96 -34.54 14.56 -32.28 -34.46 15.19 -32.62 3 0 1000.00 -999 ? >LEU~B 98 -32.11 15.13 -38.04 -32.27 13.06 -38.78 -32.19 14.09 -38.41 3 0 1000.00 -999 ? >LYS~B 99 -30.24 19.13 -37.06 -34.04 22.50 -40.88 -32.14 20.81 -38.97 2 0 1000.00 -999 ? >LEU~B 100 -30.23 19.25 -32.17 -30.94 21.02 -31.11 -30.58 20.14 -31.64 3 0 1000.00 -999 ? >TYR~B 101 -27.23 13.54 -34.11 -25.35 11.55 -34.67 -26.29 12.55 -34.39 3 0 1000.00 -999 ? >GLU~B 102 -26.71 16.01 -38.70 -25.40 14.37 -38.89 -26.06 15.19 -38.79 2 0 1000.00 -999 ? >SER~B 103 -24.47 20.15 -34.95 -26.41 21.22 -33.95 -25.44 20.69 -34.45 2 0 1000.00 -999 ? >GLY.B 104 -23.22 18.20 -31.87 -23.92 18.56 -31.85 -23.57 18.38 -31.86 1 0 1000.00 -999 ? >LYS.B 105 -26.09 19.08 -29.47 -26.01 24.00 -31.29 -26.05 21.54 -30.38 2 0 1000.00 -999 ? >VAL.B 106 -27.13 15.45 -28.82 -28.85 14.57 -29.82 -27.99 15.01 -29.32 3 0 1000.00 -999 ? >GLN^B 107 -23.30 15.41 -26.58 -22.00 16.62 -25.40 -22.65 16.01 -25.99 2 0 1000.00 -999 ? >PHE^B 108 -25.27 9.08 -27.50 -26.51 9.66 -29.94 -25.89 9.37 -28.72 3 0 1000.00 -999 ? >PHE^B 109 -23.73 11.28 -21.04 -22.94 13.84 -21.89 -23.34 12.56 -21.46 3 0 1000.00 -999 ? >GLU^B 110 -22.57 3.22 -19.20 -20.91 1.91 -19.49 -21.74 2.57 -19.35 2 0 1000.00 -999 ? >ILE^B 111 -25.48 6.92 -15.51 -25.88 8.27 -14.97 -25.68 7.59 -15.24 3 0 1000.00 -999 ? >ILE^B 112 -22.39 2.24 -13.47 -21.93 1.92 -14.16 -22.16 2.08 -13.82 3 0 1000.00 -999 ? >VAL.B 113 -25.09 3.16 -9.86 -27.04 3.94 -9.31 -26.06 3.55 -9.58 3 0 1000.00 -999 ? >ASN.C 2 -9.84 21.00 -0.75 -10.16 18.90 -1.11 -10.00 19.95 -0.93 2 0 1000.00 -999 ? >LYS.C 3 -6.16 18.96 1.29 -2.26 22.20 5.05 -4.21 20.58 3.17 2 0 1000.00 -999 ? >VAL^C 4 -6.04 15.28 0.38 -6.96 14.90 -1.59 -6.50 15.09 -0.61 3 0 1000.00 -999 ? >TYR^C 5 -4.17 13.97 4.42 -4.06 16.51 5.59 -4.11 15.24 5.01 3 0 1000.00 -999 ? >LEU^C 6 -2.20 8.54 0.61 -1.81 6.59 -0.30 -2.00 7.57 0.15 3 0 1000.00 -999 ? >ALA^C 7 -2.86 6.54 4.76 -3.46 7.20 6.03 -3.16 6.87 5.40 2 0 1000.00 -999 ? >ASN.C 8 -2.06 2.08 6.32 -1.84 2.09 8.45 -1.95 2.08 7.39 2 0 1000.00 -999 ? >ALA.C 9 -6.26 3.50 8.07 -5.88 2.91 9.44 -6.07 3.21 8.75 2 0 1000.00 -999 ? >PHE.C 10 -11.02 7.16 9.36 -12.56 9.11 10.57 -11.79 8.13 9.97 3 0 1000.00 -999 ? >SER~C 11 -8.84 7.02 12.98 -7.63 7.49 15.05 -8.23 7.26 14.01 2 0 1000.00 -999 ? >ILE~C 12 -11.78 8.73 16.40 -12.86 8.57 17.31 -12.32 8.65 16.85 3 0 1000.00 -999 ? >ASN~C 13 -6.60 10.16 16.65 -6.96 9.04 18.41 -6.78 9.60 17.53 2 0 1000.00 -999 ? >MET~C 14 -7.54 12.58 12.76 -6.99 9.68 9.84 -7.27 11.13 11.30 2 0 1000.00 -999 ? >LEU.C 15 -12.13 13.96 13.53 -13.22 12.83 12.00 -12.68 13.39 12.76 3 0 1000.00 -999 ? >THR.C 16 -10.34 18.11 14.73 -9.20 19.09 13.15 -9.77 18.60 13.94 2 0 1000.00 -999 ? >LYS.C 17 -13.84 19.64 14.88 -14.59 25.24 14.44 -14.22 22.44 14.66 2 0 1000.00 -999 ? >PHE.C 18 -15.33 16.24 17.31 -13.07 14.65 16.82 -14.20 15.45 17.06 3 0 1000.00 -999 ? >PRO.C 19 -21.64 18.25 15.73 -19.49 17.68 15.91 -20.57 17.97 15.82 3 0 1000.00 -999 ? >THR^C 20 -18.34 15.94 12.16 -16.37 15.23 11.59 -17.36 15.59 11.87 2 0 1000.00 -999 ? >LYS^C 21 -19.92 14.15 9.22 -23.32 14.62 4.26 -21.62 14.39 6.74 2 0 1000.00 -999 ? >VAL^C 22 -17.79 11.76 7.18 -16.49 10.30 8.22 -17.14 11.03 7.70 3 0 1000.00 -999 ? >VAL^C 23 -18.75 9.84 3.98 -20.06 10.44 2.33 -19.41 10.14 3.16 3 0 1000.00 -999 ? >ILE^C 24 -16.80 5.66 4.78 -15.96 5.19 5.90 -16.38 5.43 5.34 3 0 1000.00 -999 ? >ASP^C 25 -17.27 5.25 -0.98 -18.08 4.07 -2.57 -17.67 4.66 -1.77 2 0 1000.00 -999 ? >LYS^C 26 -15.24 1.29 -0.82 -14.75 -5.04 -0.65 -14.99 -1.87 -0.73 2 0 1000.00 -999 ? >ILE^C 27 -13.03 3.33 -4.40 -12.54 4.61 -3.83 -12.79 3.97 -4.11 3 0 1000.00 -999 ? >ASP~C 28 -12.53 -0.82 -8.07 -13.12 0.69 -9.45 -12.82 -0.07 -8.76 2 0 1000.00 -999 ? >ARG~C 29 -5.05 -2.02 -9.29 -6.45 -1.97 -12.03 -5.75 -2.00 -10.66 2 0 1000.00 -999 ? >LEU~C 30 -9.83 1.75 -12.00 -9.41 1.09 -14.01 -9.62 1.42 -13.00 3 0 1000.00 -999 ? >GLU~C 31 -12.18 5.94 -7.29 -14.15 5.94 -6.51 -13.17 5.94 -6.90 2 0 1000.00 -999 ? >PHE~C 32 -6.48 3.43 -4.26 -4.64 3.83 -2.19 -5.56 3.63 -3.23 3 0 1000.00 -999 ? >CSS~C 33 -4.83 4.86 -8.46 -4.01 2.23 -8.67 -4.42 3.55 -8.57 2 0 1000.00 -999 ? >GLU~C 34 -8.28 8.62 -12.02 -10.31 8.54 -12.59 -9.30 8.58 -12.30 2 0 1000.00 -999 ? >ASN~C 35 -8.25 9.73 -6.43 -10.02 10.20 -7.50 -9.14 9.97 -6.97 2 0 1000.00 -999 ? >ILE~C 36 -3.29 7.97 -4.72 -3.42 6.57 -4.31 -3.35 7.27 -4.52 3 0 1000.00 -999 ? >ASP~C 37 -1.82 9.04 -9.98 -0.12 9.13 -11.23 -0.97 9.08 -10.60 2 0 1000.00 -999 ? >ASN.C 38 -2.51 14.33 -8.28 -3.42 14.25 -6.37 -2.97 14.29 -7.33 2 0 1000.00 -999 ? >GLU.C 39 2.10 17.13 -9.15 3.19 18.67 -10.11 2.65 17.90 -9.63 2 0 1000.00 -999 ? >ASP.C 40 -2.15 18.51 -4.36 -1.73 20.02 -5.80 -1.94 19.27 -5.08 2 0 1000.00 -999 ? >ILE.C 41 -2.02 13.01 -2.78 -2.15 11.69 -2.83 -2.09 12.35 -2.80 3 0 1000.00 -999 ? >ILE^C 42 -0.54 15.08 2.39 -0.60 16.16 3.13 -0.57 15.62 2.76 3 0 1000.00 -999 ? >ASN^C 43 2.52 10.13 0.96 2.75 8.03 1.25 2.64 9.08 1.10 2 0 1000.00 -999 ? >SER.C 44 1.32 9.45 5.48 -0.97 9.14 6.27 0.18 9.30 5.87 2 0 1000.00 -999 ? >ILE.C 45 1.75 4.99 3.56 0.98 3.87 2.96 1.36 4.43 3.26 3 0 1000.00 -999 ? >GLY.C 46 5.37 4.79 6.61 5.00 4.17 6.31 5.18 4.48 6.46 1 0 1000.00 -999 ? >HIS~C 47 4.61 -0.25 7.77 4.14 -0.56 9.79 4.37 -0.41 8.78 3 0 1000.00 -999 ? >ASP~C 48 9.39 0.13 2.76 10.29 0.55 0.87 9.84 0.34 1.81 2 0 1000.00 -999 ? >SER~C 49 6.03 -2.75 1.87 5.08 -3.56 3.95 5.56 -3.16 2.91 2 0 1000.00 -999 ? >THR~C 50 2.85 -0.65 1.77 1.50 0.12 3.28 2.18 -0.26 2.52 2 0 1000.00 -999 ? >ILE~C 51 5.80 2.89 0.15 5.45 4.24 -0.25 5.62 3.56 -0.05 3 0 1000.00 -999 ? >GLN~C 52 8.12 -1.36 -2.10 9.21 -2.73 -0.89 8.66 -2.04 -1.49 2 0 1000.00 -999 ? >LEU~C 53 1.49 -2.73 -1.82 -0.25 -4.06 -1.78 0.62 -3.40 -1.80 3 0 1000.00 -999 ? >ILE~C 54 0.27 2.24 -3.21 0.22 2.87 -1.79 0.25 2.55 -2.50 3 0 1000.00 -999 ? >ASN~C 55 5.18 2.29 -5.87 5.57 4.21 -5.01 5.38 3.25 -5.44 2 0 1000.00 -999 ? >SER~C 56 3.40 -1.28 -8.13 3.88 -3.65 -8.38 3.64 -2.46 -8.25 2 0 1000.00 -999 ? >LEU~C 57 -1.38 -1.68 -7.52 -1.92 -3.62 -6.74 -1.65 -2.65 -7.13 3 0 1000.00 -999 ? >CSS~C 58 -0.73 2.37 -9.48 -2.56 2.65 -7.33 -1.64 2.51 -8.40 2 0 1000.00 -999 ? >GLY.C 59 2.67 2.95 -11.17 2.36 3.36 -10.56 2.51 3.15 -10.86 1 0 1000.00 -999 ? >THR.C 60 3.44 5.88 -8.84 1.65 5.96 -7.60 2.54 5.92 -8.22 2 0 1000.00 -999 ? >THR.C 61 6.56 7.05 -6.97 7.53 8.05 -8.59 7.05 7.55 -7.78 2 0 1000.00 -999 ? >PHE.C 62 3.32 7.68 -3.14 1.01 8.81 -4.19 2.16 8.24 -3.67 3 0 1000.00 -999 ? >GLN.C 63 9.92 8.98 -1.88 11.75 10.07 -1.85 10.84 9.52 -1.86 2 0 1000.00 -999 ? >LYS.C 64 7.78 6.15 3.01 12.57 3.66 6.01 10.18 4.91 4.51 2 0 1000.00 -999 ? >ASN.C 65 6.78 10.46 3.97 6.94 12.34 4.95 6.86 11.40 4.46 2 0 1000.00 -999 ? >ARG.C 66 6.03 6.52 10.84 7.87 7.23 13.22 6.95 6.87 12.03 2 0 1000.00 -999 ? >VAL.C 67 2.91 12.33 9.14 2.99 13.88 7.58 2.95 13.11 8.36 3 0 1000.00 -999 ? >GLU.C 68 -0.45 13.30 14.27 0.15 13.58 16.27 -0.15 13.44 15.27 2 0 1000.00 -999 ? >ILE.C 69 -3.05 13.38 8.45 -2.84 12.26 7.44 -2.95 12.82 7.94 3 0 1000.00 -999 ? >LYS.C 70 -5.50 16.18 11.18 -5.56 15.48 16.90 -5.53 15.83 14.04 2 0 1000.00 -999 ? >LEU.C 71 -9.39 15.11 8.60 -8.72 13.39 7.43 -9.05 14.25 8.02 3 0 1000.00 -999 ? >GLU.C 72 -8.87 21.12 9.24 -7.77 22.90 8.87 -8.32 22.01 9.06 2 0 1000.00 -999 ? >LYS.C 73 -13.97 20.13 6.57 -18.50 23.25 9.68 -16.23 21.69 8.13 2 0 1000.00 -999 ? >GLU.C 74 -14.94 21.49 2.09 -14.85 23.29 0.96 -14.89 22.39 1.52 2 0 1000.00 -999 ? >ASP.C 75 -9.53 17.20 4.47 -8.51 19.02 4.92 -9.02 18.11 4.70 2 0 1000.00 -999 ? >LYS^C 76 -10.33 13.82 1.65 -11.87 13.54 -4.18 -11.10 13.68 -1.27 2 0 1000.00 -999 ? >LEU^C 77 -8.65 10.38 4.36 -7.12 9.26 5.40 -7.88 9.82 4.88 3 0 1000.00 -999 ? >TYR^C 78 -8.05 8.61 -1.63 -9.83 9.96 -3.32 -8.94 9.29 -2.47 3 0 1000.00 -999 ? >VAL^C 79 -6.98 4.39 2.49 -7.67 4.13 4.57 -7.32 4.26 3.53 3 0 1000.00 -999 ? >VAL^C 80 -5.52 1.06 1.39 -3.57 0.41 0.64 -4.55 0.74 1.01 3 0 1000.00 -999 ? >GLN^C 81 -7.63 -0.81 5.22 -8.96 -1.07 6.86 -8.30 -0.94 6.04 2 0 1000.00 -999 ? >ILE.C 82 -3.18 -5.76 3.61 -2.64 -5.47 2.33 -2.91 -5.61 2.97 3 0 1000.00 -999 ? >LEU.C 92 5.82 -6.90 -1.73 4.54 -6.77 0.04 5.18 -6.83 -0.85 3 0 1000.00 -999 ? >THR~C 93 8.21 -7.72 -5.39 9.82 -9.15 -5.74 9.01 -8.43 -5.57 2 0 1000.00 -999 ? >LEU~C 94 6.14 -7.51 -9.79 6.78 -5.73 -10.87 6.46 -6.62 -10.33 3 0 1000.00 -999 ? >GLU~C 95 6.21 -12.66 -9.26 7.96 -11.47 -9.40 7.09 -12.07 -9.33 2 0 1000.00 -999 ? >GLU~C 96 4.23 -10.08 -1.83 3.35 -11.67 -0.76 3.79 -10.88 -1.29 2 0 1000.00 -999 ? >ILE~C 97 2.45 -6.23 -5.35 2.88 -4.88 -5.29 2.67 -5.56 -5.32 3 0 1000.00 -999 ? >LEU~C 98 -0.06 -9.83 -8.65 -0.47 -9.13 -10.67 -0.27 -9.48 -9.66 3 0 1000.00 -999 ? >LYS~C 99 -1.59 -11.77 -4.73 2.37 -15.35 -5.18 0.39 -13.56 -4.95 2 0 1000.00 -999 ? >LYS.C 105 -7.33 -9.50 0.12 -1.79 -11.72 -0.11 -4.56 -10.61 0.00 2 0 1000.00 -999 ? >VAL.C 106 -6.74 -5.76 -0.45 -5.25 -5.63 -2.07 -6.00 -5.69 -1.26 3 0 1000.00 -999 ? >GLN^C 107 -11.00 -4.60 0.85 -12.53 -4.82 2.30 -11.76 -4.71 1.57 2 0 1000.00 -999 ? >PHE^C 108 -7.96 0.11 -3.04 -5.95 -1.53 -4.05 -6.95 -0.71 -3.54 3 0 1000.00 -999 ? >PHE^C 109 -12.12 1.65 2.47 -12.79 -0.97 3.11 -12.46 0.34 2.79 3 0 1000.00 -999 ? >GLU^C 110 -13.15 8.94 -1.25 -13.88 9.57 -3.13 -13.51 9.26 -2.19 2 0 1000.00 -999 ? >ILE^C 111 -12.49 8.86 4.49 -12.70 8.26 5.89 -12.60 8.56 5.19 3 0 1000.00 -999 ? >ILE^C 112 -15.60 12.90 1.49 -15.91 13.34 0.14 -15.76 13.12 0.81 3 0 1000.00 -999 ? >VAL^C 113 -15.05 14.98 5.67 -13.60 15.30 7.29 -14.32 15.14 6.48 3 0 1000.00 -999 ? >ASP^C 114 -19.23 17.24 5.54 -18.99 16.88 3.46 -19.11 17.06 4.50 2 0 1000.00 -999 ? >ASN.D 2 -31.18 0.87 15.87 -30.87 2.37 17.35 -31.02 1.62 16.61 2 0 1000.00 -999 ? >LYS.D 3 -28.37 -1.77 18.01 -26.61 -7.46 15.76 -27.49 -4.61 16.89 2 0 1000.00 -999 ? >VAL^D 4 -26.00 0.20 20.24 -26.85 1.95 21.26 -26.42 1.07 20.75 3 0 1000.00 -999 ? >TYR^D 5 -22.18 -2.36 18.67 -23.30 -4.15 16.82 -22.74 -3.25 17.74 3 0 1000.00 -999 ? >LEU^D 6 -19.80 -0.36 24.72 -18.70 0.40 26.46 -19.25 0.02 25.59 3 0 1000.00 -999 ? >ALA^D 7 -16.04 -0.45 21.80 -16.06 -0.54 20.28 -16.05 -0.50 21.04 2 0 1000.00 -999 ? >ASN.D 8 -11.45 -0.41 23.04 -11.13 -2.35 22.19 -11.29 -1.38 22.62 2 0 1000.00 -999 ? >ALA.D 9 -11.99 1.56 18.55 -10.90 0.60 18.06 -11.44 1.08 18.31 2 0 1000.00 -999 ? >PHE.D 10 -15.15 4.01 13.75 -16.54 4.16 11.32 -15.84 4.08 12.53 3 0 1000.00 -999 ? >SER~D 11 -12.99 0.63 12.13 -11.96 -1.44 11.35 -12.48 -0.41 11.74 2 0 1000.00 -999 ? >ILE~D 12 -13.17 1.12 7.28 -12.79 1.87 6.12 -12.98 1.50 6.70 3 0 1000.00 -999 ? >ASN~D 13 -13.53 -4.01 9.10 -11.71 -3.84 8.00 -12.62 -3.93 8.55 2 0 1000.00 -999 ? >MET~D 14 -17.44 -2.47 11.07 -16.19 -0.87 14.77 -16.82 -1.67 12.92 2 0 1000.00 -999 ? >LEU.D 15 -19.13 0.29 7.47 -19.10 2.25 8.37 -19.12 1.27 7.92 3 0 1000.00 -999 ? >THR.D 16 -21.78 -3.26 6.22 -23.35 -3.67 7.68 -22.57 -3.47 6.95 2 0 1000.00 -999 ? >LYS.D 17 -22.92 -1.18 3.20 -29.16 -1.97 2.68 -26.04 -1.57 2.94 2 0 1000.00 -999 ? >PHE.D 18 -18.77 0.42 1.96 -17.40 -0.64 4.12 -18.09 -0.11 3.04 3 0 1000.00 -999 ? >PRO.D 19 -22.04 5.18 -1.52 -21.39 3.69 0.05 -21.72 4.44 -0.73 3 0 1000.00 -999 ? >THR^D 20 -22.14 5.10 4.06 -21.77 3.87 5.84 -21.95 4.48 4.95 2 0 1000.00 -999 ? >LYS^D 21 -22.20 8.24 6.23 -26.22 11.00 7.54 -24.21 9.62 6.89 2 0 1000.00 -999 ? >VAL^D 22 -21.29 8.54 9.93 -19.63 7.14 10.12 -20.46 7.84 10.02 3 0 1000.00 -999 ? >VAL^D 23 -21.67 11.49 12.28 -23.30 12.95 12.53 -22.49 12.22 12.41 3 0 1000.00 -999 ? >ILE^D 24 -17.44 11.25 14.37 -16.31 10.32 14.21 -16.88 10.78 14.29 3 0 1000.00 -999 ? >ASP^D 25 -20.25 13.94 18.66 -20.33 15.91 19.49 -20.29 14.93 19.08 2 0 1000.00 -999 ? >LYS^D 26 -16.33 13.94 20.95 -10.94 16.53 23.23 -13.63 15.24 22.09 2 0 1000.00 -999 ? >ILE^D 27 -19.56 12.82 24.31 -20.37 11.70 23.81 -19.96 12.26 24.06 3 0 1000.00 -999 ? >ASP~D 28 -17.66 15.46 28.75 -19.71 15.70 29.35 -18.69 15.58 29.05 2 0 1000.00 -999 ? >ARG~D 29 -16.27 11.02 34.30 -17.01 13.67 35.73 -16.64 12.35 35.02 2 0 1000.00 -999 ? >LEU~D 30 -21.50 13.90 32.22 -22.00 14.37 34.31 -21.75 14.14 33.27 3 0 1000.00 -999 ? >GLU~D 31 -23.83 12.52 26.09 -23.76 13.70 24.32 -23.80 13.11 25.21 2 0 1000.00 -999 ? >PHE~D 32 -18.64 7.32 27.46 -17.67 4.74 27.00 -18.15 6.03 27.23 3 0 1000.00 -999 ? >CSS~D 33 -21.62 7.09 30.96 -19.25 7.40 32.49 -20.44 7.25 31.73 2 0 1000.00 -999 ? >GLU~D 34 -27.18 9.93 30.67 -27.62 12.00 30.82 -27.40 10.97 30.74 2 0 1000.00 -999 ? >ASN~D 35 -25.07 7.23 25.84 -26.01 9.09 25.38 -25.54 8.16 25.61 2 0 1000.00 -999 ? >ILE~D 36 -22.20 3.06 27.95 -20.86 3.36 28.06 -21.53 3.21 28.00 3 0 1000.00 -999 ? >ASP~D 37 -25.41 3.75 32.56 -26.13 2.88 34.36 -25.77 3.32 33.46 2 0 1000.00 -999 ? >ASN.D 38 -28.71 1.75 28.38 -29.68 3.63 28.69 -29.19 2.69 28.54 2 0 1000.00 -999 ? >GLU.D 39 -31.86 -2.35 31.02 -33.96 -2.39 31.21 -32.91 -2.37 31.12 2 0 1000.00 -999 ? >ASP.D 40 -30.89 -2.81 24.74 -32.71 -3.64 25.49 -31.80 -3.22 25.11 2 0 1000.00 -999 ? >ILE^D 41 -25.25 -1.00 25.91 -24.56 -0.51 25.74 -24.90 -0.75 25.83 3 0 1000.00 -999 ? >ILE^D 42 -23.90 -4.86 21.87 -24.40 -5.69 20.83 -24.15 -5.28 21.35 3 0 1000.00 -999 ? >ASN^D 43 -20.10 -5.13 26.43 -18.13 -5.02 27.20 -19.12 -5.07 26.82 2 0 1000.00 -999 ? >SER.D 44 -17.44 -5.42 22.43 -16.60 -5.29 20.13 -17.02 -5.36 21.28 2 0 1000.00 -999 ? >ILE.D 45 -14.52 -3.56 25.81 -14.07 -2.21 26.22 -14.30 -2.88 26.01 3 0 1000.00 -999 ? >GLY.D 46 -12.21 -7.72 25.38 -12.00 -7.06 25.76 -12.10 -7.39 25.57 1 0 1000.00 -999 ? >HIS~D 47 -7.65 -5.76 26.46 -6.31 -6.10 24.88 -6.98 -5.93 25.67 3 0 1000.00 -999 ? >ASP~D 48 -9.77 -7.43 32.67 -11.29 -8.81 33.19 -10.53 -8.12 32.93 2 0 1000.00 -999 ? >SER~D 49 -8.13 -3.22 32.10 -5.85 -3.98 31.76 -6.99 -3.60 31.93 2 0 1000.00 -999 ? >THR~D 50 -10.41 -1.22 29.81 -10.31 -0.91 27.67 -10.36 -1.07 28.74 2 0 1000.00 -999 ? >ILE~D 51 -14.07 -4.23 31.00 -14.88 -4.24 30.89 -14.48 -4.23 30.94 3 0 1000.00 -999 ? >GLN~D 52 -12.04 -4.29 35.89 -14.06 -4.94 36.16 -13.05 -4.62 36.03 2 0 1000.00 -999 ? >LEU~D 53 -10.70 1.80 32.81 -9.70 3.71 32.53 -10.20 2.75 32.67 3 0 1000.00 -999 ? >ILE~D 54 -15.64 1.37 31.06 -16.13 1.34 29.72 -15.89 1.35 30.39 3 0 1000.00 -999 ? >ASN~D 55 -16.86 -1.00 35.63 -17.64 -2.42 34.21 -17.25 -1.71 34.92 2 0 1000.00 -999 ? >SER~D 56 -14.97 2.54 37.73 -12.91 1.59 38.64 -13.94 2.06 38.19 2 0 1000.00 -999 ? >LEU~D 57 -15.03 6.10 34.49 -14.11 8.01 34.02 -14.57 7.06 34.26 3 0 1000.00 -999 ? >CSS~D 58 -19.40 5.09 34.97 -18.81 5.43 32.24 -19.11 5.26 33.61 2 0 1000.00 -999 ? >GLY~D 59 -20.55 2.79 37.79 -20.58 2.64 36.96 -20.57 2.72 37.37 1 0 1000.00 -999 ? >THR.D 60 -21.50 0.00 35.40 -21.04 0.90 33.47 -21.27 0.45 34.44 2 0 1000.00 -999 ? >THR.D 61 -20.86 -3.75 35.69 -22.48 -4.06 37.11 -21.67 -3.90 36.40 2 0 1000.00 -999 ? >PHE.D 62 -20.21 -3.08 30.56 -22.04 -1.26 29.52 -21.13 -2.17 30.04 3 0 1000.00 -999 ? >GLN.D 63 -19.46 -9.43 32.93 -20.43 -11.29 33.19 -19.95 -10.36 33.06 2 0 1000.00 -999 ? >LYS.D 64 -14.93 -8.91 29.16 -11.56 -13.54 30.36 -13.24 -11.23 29.76 2 0 1000.00 -999 ? >ASN.D 65 -18.50 -9.51 26.26 -19.82 -10.67 25.05 -19.16 -10.09 25.65 2 0 1000.00 -999 ? >ARG.D 66 -12.31 -10.84 20.54 -9.94 -12.82 20.53 -11.12 -11.83 20.54 2 0 1000.00 -999 ? >VAL.D 67 -17.69 -9.46 19.61 -19.83 -9.25 20.07 -18.76 -9.35 19.84 3 0 1000.00 -999 ? >GLU.D 68 -16.82 -9.18 13.43 -16.57 -10.66 11.93 -16.69 -9.92 12.68 2 0 1000.00 -999 ? >ILE.D 69 -18.91 -4.08 15.86 -19.08 -2.91 16.76 -19.00 -3.50 16.31 3 0 1000.00 -999 ? >LYS.D 70 -21.30 -5.03 12.12 -17.72 -6.59 8.26 -19.51 -5.81 10.19 2 0 1000.00 -999 ? >LEU.D 71 -22.22 -0.35 12.10 -21.23 0.42 13.88 -21.72 0.03 12.99 3 0 1000.00 -999 ? >GLU.D 72 -26.75 -3.54 9.34 -28.38 -4.86 8.98 -27.57 -4.20 9.16 2 0 1000.00 -999 ? >LYS.D 73 -28.12 2.06 9.20 -30.46 4.59 3.88 -29.29 3.33 6.54 2 0 1000.00 -999 ? >GLU.D 74 -31.71 4.49 12.74 -33.64 3.72 13.17 -32.67 4.10 12.96 2 0 1000.00 -999 ? >ASP.D 75 -26.15 0.51 14.36 -27.40 -1.20 14.12 -26.77 -0.34 14.24 2 0 1000.00 -999 ? >LYS^D 76 -24.84 3.71 17.30 -28.12 7.47 20.67 -26.48 5.59 18.98 2 0 1000.00 -999 ? >LEU^D 77 -20.31 2.90 17.55 -18.58 1.60 17.63 -19.45 2.25 17.59 3 0 1000.00 -999 ? >TYR^D 78 -21.80 5.41 22.98 -24.12 6.89 22.54 -22.96 6.15 22.76 3 0 1000.00 -999 ? >VAL^D 79 -15.94 4.41 21.68 -15.04 4.14 19.69 -15.49 4.27 20.69 3 0 1000.00 -999 ? >VAL^D 80 -13.19 4.79 24.32 -13.25 4.23 26.43 -13.22 4.51 25.37 3 0 1000.00 -999 ? >GLN^D 81 -9.46 7.30 20.14 -9.34 5.71 18.75 -9.40 6.50 19.44 2 0 1000.00 -999 ? >ILE.D 82 -6.33 3.52 23.63 -6.12 3.21 25.11 -6.22 3.37 24.37 3 0 1000.00 -999 ? >SER.D 83 -4.89 7.92 21.88 -2.83 8.39 20.71 -3.86 8.15 21.29 2 0 1000.00 -999 ? >GLU~D 95 1.79 -0.32 34.06 3.80 -0.91 34.35 2.80 -0.62 34.20 2 0 1000.00 -999 ? >GLU~D 96 1.15 -0.70 30.51 1.54 -2.40 29.31 1.35 -1.55 29.91 2 0 1000.00 -999 ? >ILE~D 97 -5.45 0.94 31.15 -6.19 1.10 30.84 -5.82 1.02 30.99 3 0 1000.00 -999 ? >LEU~D 98 -3.87 3.94 35.48 -5.27 3.48 37.11 -4.57 3.71 36.30 3 0 1000.00 -999 ? >LYS~D 99 -1.14 6.14 32.59 4.93 6.75 31.25 1.89 6.44 31.92 2 0 1000.00 -999 ? >LEU~D 100 -3.48 5.65 28.34 -2.37 4.70 26.72 -2.92 5.17 27.53 3 0 1000.00 -999 ? >TYR~D 101 -8.46 8.02 32.20 -10.62 9.51 33.15 -9.54 8.76 32.67 3 0 1000.00 -999 ? >GLU~D 102 -5.22 9.60 35.40 -4.73 8.52 37.13 -4.98 9.06 36.26 2 0 1000.00 -999 ? >SER~D 103 -1.83 11.44 30.50 -0.29 11.11 28.62 -1.06 11.27 29.56 2 0 1000.00 -999 ? >GLY.D 104 -4.83 12.92 28.59 -4.42 12.21 28.38 -4.63 12.56 28.49 1 0 1000.00 -999 ? >LYS.D 105 -4.66 10.15 26.00 0.88 10.21 25.40 -1.89 10.18 25.70 2 0 1000.00 -999 ? >VAL.D 106 -8.16 8.63 26.49 -8.64 6.92 27.77 -8.40 7.77 27.13 3 0 1000.00 -999 ? >GLN^D 107 -9.74 12.28 24.28 -8.78 13.27 22.63 -9.26 12.77 23.46 2 0 1000.00 -999 ? >PHE^D 108 -15.09 9.04 26.93 -13.80 8.25 29.28 -14.44 8.64 28.11 3 0 1000.00 -999 ? >PHE^D 109 -14.60 9.93 20.04 -12.23 11.41 20.06 -13.41 10.67 20.05 3 0 1000.00 -999 ? >GLU^D 110 -22.87 9.54 19.70 -24.42 10.85 20.28 -23.65 10.19 19.99 2 0 1000.00 -999 ? >ILE^D 111 -19.57 6.55 15.81 -18.31 6.24 15.15 -18.94 6.40 15.48 3 0 1000.00 -999 ? >ILE^D 112 -25.17 8.47 14.80 -26.45 8.90 15.53 -25.81 8.69 15.16 3 0 1000.00 -999 ? >VAL^D 113 -24.26 5.44 11.32 -23.39 3.48 10.91 -23.82 4.46 11.11 3 0 1000.00 -999 ? >ASP.D 114 -26.43 7.76 7.92 -27.14 8.63 9.72 -26.78 8.19 8.82 2 0 1000.00 -999 ?