REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 24-JAN-10 2X3D COMPND SSO6206; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 STRAIN: P2; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PEHISTEV AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,A.R.MCEWAN,M.F.WHITE, AUTHOR 2 J.H.NAISMITH >GLY.A 0 -15.08 -3.45 -1.31 -15.42 -4.03 -1.82 -15.25 -3.74 -1.56 1 0 1000.00 -999 ? >MET.A 1 -16.46 -6.53 0.49 -15.76 -8.09 -2.28 -16.11 -7.31 -0.89 2 0 1000.00 -999 ? >ALA.A 2 -17.53 -4.97 3.82 -18.94 -4.47 3.48 -18.24 -4.72 3.65 2 0 1000.00 -999 ? >ILE^A 3 -20.17 -7.21 7.28 -19.70 -6.75 8.56 -19.94 -6.98 7.92 3 0 1000.00 -999 ? >ARG^A 4 -16.30 -10.44 3.47 -14.74 -12.11 1.40 -15.52 -11.28 2.44 2 0 1000.00 -999 ? >ARG^A 5 -16.51 -15.32 11.55 -13.81 -16.69 10.87 -15.16 -16.01 11.21 2 0 1000.00 -999 ? >LEU^A 6 -22.18 -11.47 11.94 -22.67 -9.47 11.29 -22.43 -10.47 11.62 3 0 1000.00 -999 ? >VAL^A 7 -20.85 -14.18 15.41 -19.26 -15.55 16.04 -20.05 -14.86 15.73 3 0 1000.00 -999 ? >LEU^A 8 -25.21 -13.00 16.62 -25.24 -11.35 15.26 -25.22 -12.18 15.94 3 0 1000.00 -999 ? >ASP^A 9 -24.28 -14.09 22.19 -24.79 -15.26 23.89 -24.53 -14.68 23.04 2 0 1000.00 -999 ? >VAL^A 10 -28.81 -14.60 20.56 -29.60 -14.33 18.55 -29.21 -14.46 19.56 3 0 1000.00 -999 ? >LEU^A 11 -32.14 -14.19 23.97 -31.22 -14.15 25.90 -31.68 -14.17 24.93 3 0 1000.00 -999 ? >LYS^A 12 -34.94 -16.80 21.44 -37.53 -20.21 18.64 -36.23 -18.51 20.04 2 0 1000.00 -999 ? >PRO^A 13 -39.22 -16.00 22.16 -37.70 -17.58 22.65 -38.46 -16.79 22.40 3 0 1000.00 -999 ? >ILE.A 14 -38.36 -22.47 24.84 -38.81 -23.47 25.67 -38.59 -22.97 25.25 3 0 1000.00 -999 ? >ARG.A 15 -44.28 -22.33 22.15 -44.64 -24.75 24.01 -44.46 -23.54 23.08 2 0 1000.00 -999 ? >GLY.A 16 -42.04 -19.98 17.95 -41.55 -20.71 17.75 -41.79 -20.34 17.85 1 0 1000.00 -999 ? >THR.A 17 -39.90 -19.86 14.84 -39.39 -18.25 13.48 -39.65 -19.06 14.16 2 0 1000.00 -999 ? >SER~A 18 -37.80 -23.05 14.91 -37.75 -24.40 12.90 -37.77 -23.72 13.91 2 0 1000.00 -999 ? >ILE~A 19 -32.92 -22.82 15.44 -32.27 -23.47 16.48 -32.59 -23.15 15.96 3 0 1000.00 -999 ? >VAL~A 20 -34.23 -24.43 11.22 -34.52 -26.53 10.67 -34.38 -25.48 10.94 3 0 1000.00 -999 ? >ASP~A 21 -38.14 -21.75 10.04 -39.34 -23.44 9.60 -38.74 -22.60 9.82 2 0 1000.00 -999 ? >LEU~A 22 -34.33 -18.99 12.64 -33.91 -17.13 13.66 -34.12 -18.06 13.15 3 0 1000.00 -999 ? >ALA~A 23 -31.38 -20.45 9.61 -30.75 -21.80 9.92 -31.06 -21.12 9.76 2 0 1000.00 -999 ? >GLU~A 24 -34.70 -21.63 4.46 -35.99 -23.17 3.76 -35.34 -22.40 4.11 2 0 1000.00 -999 ? >ARG~A 25 -37.99 -16.59 7.69 -40.87 -17.78 7.88 -39.43 -17.19 7.78 2 0 1000.00 -999 ? >ILE~A 26 -30.30 -15.95 8.39 -29.69 -15.52 9.61 -30.00 -15.74 9.00 3 0 1000.00 -999 ? >SER~A 27 -29.33 -17.82 4.45 -30.44 -19.91 3.93 -29.89 -18.87 4.19 2 0 1000.00 -999 ? >LYS~A 28 -31.57 -16.28 1.76 -34.68 -20.62 0.72 -33.13 -18.45 1.24 2 0 1000.00 -999 ? >LEU.A 29 -30.00 -12.10 3.84 -31.36 -11.28 5.30 -30.68 -11.69 4.57 3 0 1000.00 -999 ? >ASP.A 30 -28.46 -9.55 -0.68 -30.03 -9.51 -2.10 -29.24 -9.53 -1.39 2 0 1000.00 -999 ? >GLY.A 31 -24.51 -11.67 0.37 -25.04 -12.22 0.61 -24.77 -11.95 0.49 1 0 1000.00 -999 ? >VAL^A 32 -25.01 -14.48 2.87 -26.31 -14.78 4.57 -25.66 -14.63 3.72 3 0 1000.00 -999 ? >GLU^A 33 -21.34 -16.42 0.53 -19.30 -16.24 0.05 -20.32 -16.33 0.29 2 0 1000.00 -999 ? >GLY^A 34 -23.67 -19.66 5.06 -23.76 -18.87 5.27 -23.71 -19.27 5.16 1 0 1000.00 -999 ? >VAL^A 35 -25.35 -19.71 8.46 -27.15 -18.55 8.75 -26.25 -19.13 8.60 3 0 1000.00 -999 ? >ASN^A 36 -23.15 -22.35 11.73 -23.00 -23.97 13.11 -23.07 -23.16 12.42 2 0 1000.00 -999 ? >ILE^A 37 -28.56 -21.56 14.19 -29.73 -20.67 14.33 -29.14 -21.11 14.26 3 0 1000.00 -999 ? >SER^A 38 -26.27 -23.92 17.43 -23.93 -23.43 17.85 -25.10 -23.68 17.64 2 0 1000.00 -999 ? >VAL^A 39 -27.89 -24.13 20.84 -29.81 -24.96 21.47 -28.85 -24.55 21.15 3 0 1000.00 -999 ? >THR^A 40 -25.51 -23.15 23.65 -24.99 -21.10 23.23 -25.25 -22.13 23.44 2 0 1000.00 -999 ? >ASP^A 41 -27.45 -22.89 27.79 -27.30 -20.76 27.76 -27.37 -21.83 27.77 2 0 1000.00 -999 ? >MET^A 42 -31.74 -23.18 27.41 -33.15 -26.10 24.83 -32.44 -24.64 26.12 2 0 1000.00 -999 ? >ASP.A 43 -34.21 -20.68 30.70 -32.59 -19.71 31.67 -33.40 -20.19 31.18 2 0 1000.00 -999 ? >VAL.A 44 -37.59 -23.11 30.73 -38.21 -22.63 32.76 -37.90 -22.87 31.74 3 0 1000.00 -999 ? >GLU.A 45 -38.88 -18.12 29.67 -40.09 -16.84 30.85 -39.48 -17.48 30.26 2 0 1000.00 -999 ? >THR^A 46 -35.75 -19.11 26.43 -35.35 -17.37 27.66 -35.55 -18.24 27.05 2 0 1000.00 -999 ? >MET^A 47 -33.13 -20.61 24.14 -33.99 -22.86 20.73 -33.56 -21.74 22.43 2 0 1000.00 -999 ? >GLY^A 48 -29.48 -19.47 24.00 -29.79 -20.09 23.51 -29.64 -19.78 23.76 1 0 1000.00 -999 ? >LEU^A 49 -29.17 -19.16 19.35 -31.00 -20.20 18.84 -30.09 -19.68 19.09 3 0 1000.00 -999 ? >MET^A 50 -24.79 -18.88 18.75 -22.08 -17.35 20.07 -23.44 -18.11 19.41 2 0 1000.00 -999 ? >ILE^A 51 -26.67 -16.70 14.92 -28.04 -16.52 14.35 -27.36 -16.61 14.64 3 0 1000.00 -999 ? >ILE^A 52 -21.40 -18.62 12.88 -19.97 -18.96 13.26 -20.68 -18.79 13.07 3 0 1000.00 -999 ? >ILE^A 53 -24.11 -14.61 9.45 -25.46 -14.06 9.29 -24.79 -14.34 9.37 3 0 1000.00 -999 ? >GLU^A 54 -18.78 -17.05 7.89 -16.96 -18.13 7.63 -17.87 -17.59 7.76 2 0 1000.00 -999 ? >GLY^A 55 -20.70 -13.97 3.35 -20.12 -13.59 3.76 -20.41 -13.78 3.56 1 0 1000.00 -999 ? >THR.A 56 -19.90 -10.80 1.43 -18.79 -11.07 -0.38 -19.34 -10.94 0.53 2 0 1000.00 -999 ? >SER.A 57 -21.08 -7.30 2.38 -21.99 -7.03 0.15 -21.53 -7.16 1.27 2 0 1000.00 -999 ? >LEU.A 58 -23.07 -9.62 6.11 -22.75 -11.78 5.94 -22.91 -10.70 6.03 3 0 1000.00 -999 ? >ASN~A 59 -27.32 -5.83 4.98 -28.28 -4.02 5.51 -27.80 -4.93 5.25 2 0 1000.00 -999 ? >PHE~A 60 -25.44 -5.80 12.08 -25.92 -6.24 14.78 -25.68 -6.02 13.43 3 0 1000.00 -999 ? >ASP~A 61 -29.55 -2.63 9.12 -28.38 -1.09 10.02 -28.97 -1.86 9.57 2 0 1000.00 -999 ? >ASP~A 62 -31.04 -6.98 6.32 -31.40 -5.47 4.87 -31.22 -6.23 5.59 2 0 1000.00 -999 ? >ILE~A 63 -28.61 -9.86 10.03 -27.56 -10.73 9.90 -28.08 -10.30 9.97 3 0 1000.00 -999 ? >ARG~A 64 -30.53 -4.23 14.97 -28.89 -3.24 17.41 -29.71 -3.73 16.19 2 0 1000.00 -999 ? >LYS~A 65 -34.37 -6.68 11.62 -35.20 -2.47 9.31 -34.78 -4.58 10.47 2 0 1000.00 -999 ? >MET~A 66 -35.02 -10.32 10.69 -33.93 -13.29 8.06 -34.47 -11.81 9.37 2 0 1000.00 -999 ? >LEU~A 67 -32.64 -11.47 14.78 -30.95 -12.81 14.45 -31.79 -12.14 14.62 3 0 1000.00 -999 ? >GLU~A 68 -35.16 -6.92 16.47 -35.24 -4.80 16.26 -35.20 -5.86 16.36 2 0 1000.00 -999 ? >GLU~A 69 -39.39 -8.52 11.64 -39.18 -8.30 9.54 -39.28 -8.41 10.59 2 0 1000.00 -999 ? >GLU~A 70 -37.53 -14.55 12.33 -39.26 -15.35 11.40 -38.39 -14.95 11.86 2 0 1000.00 -999 ? >GLY.A 71 -38.79 -12.93 18.21 -38.08 -12.96 17.85 -38.43 -12.95 18.03 1 0 1000.00 -999 ? >CYH.A 72 -35.04 -12.96 18.82 -34.46 -15.18 17.25 -34.75 -14.07 18.04 2 0 1000.00 -999 ? >ALA^A 73 -32.84 -10.57 20.76 -33.16 -10.30 22.21 -33.00 -10.43 21.48 2 0 1000.00 -999 ? >ILE^A 74 -28.50 -9.14 19.08 -27.72 -8.97 17.86 -28.11 -9.05 18.47 3 0 1000.00 -999 ? >HIS^A 75 -26.76 -11.33 25.75 -25.69 -11.20 27.55 -26.23 -11.26 26.65 3 0 1000.00 -999 ? >SER^A 76 -24.04 -9.71 22.17 -21.78 -10.23 22.84 -22.91 -9.97 22.50 2 0 1000.00 -999 ? >ILE^A 77 -22.01 -8.01 18.08 -22.34 -7.13 17.11 -22.18 -7.57 17.60 3 0 1000.00 -999 ? >ASP^A 78 -19.23 -12.97 20.26 -20.34 -13.37 21.99 -19.78 -13.17 21.12 2 0 1000.00 -999 ? >GLU^A 79 -15.37 -12.50 15.36 -14.22 -14.30 15.23 -14.80 -13.40 15.29 2 0 1000.00 -999 ? >VAL^A 80 -17.21 -9.30 13.49 -17.63 -7.17 13.18 -17.42 -8.23 13.33 3 0 1000.00 -999 ? >VAL^A 81 -14.86 -9.61 10.51 -13.60 -11.34 10.18 -14.23 -10.48 10.34 3 0 1000.00 -999 ? >SER^A 82 -14.70 -7.03 7.74 -15.62 -4.90 7.13 -15.16 -5.96 7.43 2 0 1000.00 -999 ? >GLY^A 83 -12.71 -6.39 4.55 -13.16 -7.05 4.48 -12.93 -6.72 4.52 1 0 1000.00 -999 ? >ASN.A 84 -9.86 -7.59 0.88 -9.98 -5.54 0.35 -9.92 -6.56 0.61 2 0 1000.00 -999 ? >ARG.A 85 -6.16 -11.49 3.55 -3.79 -9.88 4.76 -4.97 -10.69 4.15 2 0 1000.00 -999 ? >ILE.A 86 -11.66 -14.47 6.75 -12.97 -14.22 7.33 -12.32 -14.35 7.04 3 0 1000.00 -999 ? >ILE.A 87 -8.23 -10.86 10.16 -7.03 -10.78 9.49 -7.63 -10.82 9.82 3 0 1000.00 -999 ? >GLU.A 88 -8.77 -16.79 11.62 -10.85 -17.25 11.49 -9.81 -17.02 11.56 2 0 1000.00 -999 ? >GLY.A 89 -8.90 -13.54 16.46 -8.66 -14.30 16.27 -8.78 -13.92 16.37 1 0 1000.00 -999 ? >GLY.B 0 -30.33 -21.68 -3.46 -29.84 -22.34 -3.76 -30.09 -22.01 -3.61 1 0 1000.00 -999 ? >MET.B 1 -29.02 -24.59 -1.36 -27.36 -25.40 -3.99 -28.19 -24.99 -2.67 2 0 1000.00 -999 ? >ALA.B 2 -31.25 -24.13 1.74 -32.54 -24.86 1.35 -31.89 -24.49 1.54 2 0 1000.00 -999 ? >ILE^B 3 -31.59 -27.26 5.47 -31.62 -26.49 6.71 -31.61 -26.88 6.09 3 0 1000.00 -999 ? >ARG^B 4 -26.41 -27.05 2.09 -23.96 -27.23 0.23 -25.19 -27.14 1.16 2 0 1000.00 -999 ? >ARG^B 5 -23.79 -30.17 10.62 -20.87 -29.27 10.15 -22.33 -29.72 10.38 2 0 1000.00 -999 ? >LEU^B 6 -30.52 -31.45 10.51 -32.21 -30.44 9.69 -31.37 -30.95 10.10 3 0 1000.00 -999 ? >VAL^B 7 -27.96 -32.23 14.26 -25.93 -32.01 15.05 -26.94 -32.12 14.65 3 0 1000.00 -999 ? >LEU^B 8 -31.97 -34.42 15.27 -33.03 -33.35 13.74 -32.50 -33.88 14.51 3 0 1000.00 -999 ? >ASP^B 9 -31.01 -34.22 20.93 -30.71 -35.32 22.71 -30.86 -34.77 21.82 2 0 1000.00 -999 ? >VAL^B 10 -33.72 -37.87 19.26 -34.32 -38.30 17.23 -34.02 -38.09 18.24 3 0 1000.00 -999 ? >LEU^B 11 -36.61 -39.77 22.55 -36.18 -38.97 24.50 -36.40 -39.37 23.52 3 0 1000.00 -999 ? >LYS^B 12 -36.54 -43.72 20.25 -35.70 -48.11 17.74 -36.12 -45.92 18.99 2 0 1000.00 -999 ? >PRO^B 13 -40.15 -46.19 20.79 -38.02 -46.19 21.47 -39.08 -46.19 21.13 3 0 1000.00 -999 ? >ILE.B 14 -35.20 -49.95 24.12 -34.89 -50.93 25.03 -35.04 -50.44 24.57 3 0 1000.00 -999 ? >ARG.B 15 -39.19 -54.16 21.34 -37.90 -55.98 23.44 -38.54 -55.07 22.39 2 0 1000.00 -999 ? >GLY.B 16 -38.96 -51.19 16.96 -38.08 -51.37 16.84 -38.52 -51.28 16.90 1 0 1000.00 -999 ? >THR.B 17 -37.28 -49.77 13.90 -37.94 -48.39 12.38 -37.61 -49.08 13.14 2 0 1000.00 -999 ? >SER~B 18 -33.56 -50.49 14.33 -32.38 -51.50 12.46 -32.97 -51.00 13.39 2 0 1000.00 -999 ? >ILE~B 19 -30.33 -46.84 14.93 -29.50 -46.77 16.04 -29.91 -46.80 15.48 3 0 1000.00 -999 ? >VAL~B 20 -29.76 -49.16 10.88 -28.43 -50.87 10.52 -29.09 -50.01 10.70 3 0 1000.00 -999 ? >ASP~B 21 -34.31 -50.12 9.35 -33.96 -52.19 9.06 -34.14 -51.16 9.21 2 0 1000.00 -999 ? >LEU~B 22 -33.79 -45.35 11.75 -34.90 -43.66 12.57 -34.34 -44.51 12.16 3 0 1000.00 -999 ? >ALA~B 23 -30.45 -44.41 8.91 -29.07 -44.89 9.34 -29.76 -44.65 9.12 2 0 1000.00 -999 ? >GLU~B 24 -31.51 -47.92 3.85 -31.23 -49.94 3.29 -31.37 -48.93 3.57 2 0 1000.00 -999 ? >ARG~B 25 -37.53 -46.09 7.05 -39.83 -48.16 6.69 -38.68 -47.12 6.87 2 0 1000.00 -999 ? >ILE~B 26 -32.74 -40.59 7.29 -32.70 -39.81 8.47 -32.72 -40.20 7.88 3 0 1000.00 -999 ? >SER~B 27 -30.43 -41.43 3.57 -29.67 -43.74 3.27 -30.05 -42.58 3.42 2 0 1000.00 -999 ? >LYS~B 28 -32.87 -42.09 0.70 -31.88 -47.42 0.06 -32.37 -44.75 0.38 2 0 1000.00 -999 ? >LEU.B 29 -34.89 -37.93 2.38 -36.56 -38.25 3.75 -35.73 -38.09 3.07 3 0 1000.00 -999 ? >ASP.B 30 -35.23 -35.32 -2.34 -36.26 -36.51 -3.78 -35.74 -35.92 -3.06 2 0 1000.00 -999 ? >GLY.B 31 -31.06 -33.92 -1.00 -31.05 -34.67 -0.71 -31.05 -34.29 -0.86 1 0 1000.00 -999 ? >VAL^B 32 -29.62 -36.10 1.76 -30.48 -37.15 3.45 -30.05 -36.63 2.60 3 0 1000.00 -999 ? >GLU^B 33 -25.48 -35.01 -0.33 -24.13 -33.48 -0.78 -24.80 -34.24 -0.56 2 0 1000.00 -999 ? >GLY^B 34 -25.21 -38.65 4.47 -25.85 -38.16 4.60 -25.53 -38.40 4.53 1 0 1000.00 -999 ? >VAL^B 35 -26.65 -39.70 7.82 -28.75 -40.16 7.98 -27.70 -39.93 7.90 3 0 1000.00 -999 ? >ASN^B 36 -23.51 -39.80 11.37 -22.37 -40.71 12.90 -22.94 -40.25 12.14 2 0 1000.00 -999 ? >ILE^B 37 -28.07 -42.93 13.67 -29.52 -43.11 13.69 -28.79 -43.02 13.68 3 0 1000.00 -999 ? >SER^B 38 -25.06 -42.77 17.15 -23.80 -40.77 17.50 -24.43 -41.77 17.33 2 0 1000.00 -999 ? >VAL^B 39 -26.34 -43.88 20.53 -27.18 -45.79 21.16 -26.76 -44.83 20.85 3 0 1000.00 -999 ? >THR^B 40 -25.61 -41.35 23.28 -26.67 -39.58 22.65 -26.14 -40.46 22.97 2 0 1000.00 -999 ? >ASP^B 41 -27.50 -42.32 27.33 -28.93 -40.76 27.12 -28.22 -41.54 27.23 2 0 1000.00 -999 ? >MET^B 42 -30.27 -45.60 26.90 -29.02 -48.80 24.54 -29.64 -47.20 25.72 2 0 1000.00 -999 ? >ASP.B 43 -34.06 -45.40 29.87 -33.69 -43.52 30.80 -33.88 -44.46 30.33 2 0 1000.00 -999 ? >VAL.B 44 -34.70 -49.52 30.06 -35.67 -49.51 32.03 -35.18 -49.51 31.05 3 0 1000.00 -999 ? >GLU.B 45 -39.06 -47.00 28.48 -40.92 -46.88 29.49 -39.99 -46.94 28.98 2 0 1000.00 -999 ? >THR^B 46 -35.90 -45.65 25.43 -36.95 -44.08 26.51 -36.43 -44.87 25.97 2 0 1000.00 -999 ? >MET^B 47 -32.80 -44.98 23.36 -31.50 -47.34 20.19 -32.15 -46.16 21.78 2 0 1000.00 -999 ? >GLY^B 48 -31.05 -41.57 23.19 -30.78 -42.25 22.76 -30.92 -41.91 22.97 1 0 1000.00 -999 ? >LEU^B 49 -30.62 -41.39 18.53 -31.18 -43.45 18.11 -30.90 -42.42 18.32 3 0 1000.00 -999 ? >MET^B 50 -27.73 -38.08 17.99 -27.20 -35.00 19.16 -27.46 -36.54 18.57 2 0 1000.00 -999 ? >ILE^B 51 -30.22 -38.18 13.92 -31.26 -39.07 13.32 -30.74 -38.63 13.62 3 0 1000.00 -999 ? >ILE^B 52 -25.02 -35.85 12.17 -23.81 -35.08 12.62 -24.41 -35.47 12.40 3 0 1000.00 -999 ? >ILE^B 53 -29.45 -35.21 8.32 -30.78 -35.79 8.08 -30.11 -35.50 8.20 3 0 1000.00 -999 ? >GLU^B 54 -23.84 -33.22 7.12 -21.79 -32.69 7.00 -22.82 -32.95 7.06 2 0 1000.00 -999 ? >GLY^B 55 -26.99 -32.67 2.25 -26.88 -31.96 2.64 -26.94 -32.31 2.44 1 0 1000.00 -999 ? >THR.B 56 -28.50 -29.97 0.05 -27.40 -29.47 -1.70 -27.95 -29.72 -0.83 2 0 1000.00 -999 ? >SER.B 57 -31.90 -28.31 0.61 -32.50 -28.90 -1.64 -32.20 -28.61 -0.52 2 0 1000.00 -999 ? >LEU.B 58 -31.97 -31.14 4.53 -30.22 -32.44 4.59 -31.10 -31.79 4.56 3 0 1000.00 -999 ? >ASN~B 59 -37.53 -31.55 2.94 -39.53 -30.92 3.27 -38.53 -31.24 3.11 2 0 1000.00 -999 ? >PHE~B 60 -36.84 -29.81 10.03 -37.07 -30.29 12.75 -36.96 -30.05 11.39 3 0 1000.00 -999 ? >ASP~B 61 -41.71 -30.69 6.68 -42.08 -28.75 7.46 -41.90 -29.72 7.07 2 0 1000.00 -999 ? >ASP~B 62 -39.44 -34.95 4.32 -40.65 -34.25 2.71 -40.04 -34.60 3.51 2 0 1000.00 -999 ? >ILE~B 63 -36.01 -35.03 8.35 -34.61 -34.89 8.32 -35.31 -34.96 8.33 3 0 1000.00 -999 ? >ARG~B 64 -41.71 -32.10 12.66 -41.42 -30.09 14.99 -41.57 -31.10 13.82 2 0 1000.00 -999 ? >LYS~B 65 -42.45 -36.77 9.54 -45.81 -34.55 6.82 -44.13 -35.66 8.18 2 0 1000.00 -999 ? >MET~B 66 -40.29 -39.85 8.98 -37.21 -41.31 6.68 -38.75 -40.58 7.83 2 0 1000.00 -999 ? >LEU~B 67 -38.11 -38.73 13.19 -35.94 -38.50 13.00 -37.03 -38.61 13.09 3 0 1000.00 -999 ? >GLU~B 68 -43.22 -37.17 14.39 -44.75 -35.73 13.97 -43.98 -36.45 14.18 2 0 1000.00 -999 ? >GLU~B 69 -44.72 -41.61 9.72 -44.57 -41.45 7.61 -44.65 -41.53 8.66 2 0 1000.00 -999 ? >GLU~B 70 -39.25 -44.51 11.02 -39.86 -46.34 10.16 -39.56 -45.42 10.59 2 0 1000.00 -999 ? >GLY.B 71 -41.71 -43.88 16.72 -41.16 -43.43 16.36 -41.44 -43.66 16.54 1 0 1000.00 -999 ? >CYH.B 72 -39.08 -41.21 17.34 -37.04 -42.53 15.97 -38.06 -41.87 16.65 2 0 1000.00 -999 ? >ALA^B 73 -39.34 -37.82 19.02 -39.91 -37.74 20.43 -39.62 -37.78 19.72 2 0 1000.00 -999 ? >ILE^B 74 -37.13 -33.87 17.24 -36.60 -33.30 16.03 -36.86 -33.59 16.63 3 0 1000.00 -999 ? >HIS^B 75 -34.86 -33.75 24.11 -34.33 -32.78 25.90 -34.60 -33.26 25.00 3 0 1000.00 -999 ? >SER^B 76 -33.79 -30.92 20.41 -31.86 -29.68 21.12 -32.83 -30.30 20.77 2 0 1000.00 -999 ? >ILE^B 77 -33.22 -28.56 16.18 -33.96 -28.23 15.10 -33.59 -28.40 15.64 3 0 1000.00 -999 ? >ASP^B 78 -27.95 -29.98 18.88 -28.60 -30.95 20.65 -28.27 -30.47 19.77 2 0 1000.00 -999 ? >GLU^B 79 -25.15 -27.29 13.97 -23.05 -27.72 14.04 -24.10 -27.50 14.00 2 0 1000.00 -999 ? >VAL^B 80 -28.56 -26.42 11.76 -30.30 -25.20 11.23 -29.43 -25.81 11.49 3 0 1000.00 -999 ? >VAL^B 81 -26.46 -25.19 8.85 -24.33 -25.52 8.73 -25.39 -25.36 8.79 3 0 1000.00 -999 ? >SER^B 82 -27.94 -23.44 5.83 -30.05 -22.54 5.04 -28.99 -22.99 5.44 2 0 1000.00 -999 ? >GLY^B 83 -26.73 -21.80 2.62 -26.58 -22.58 2.61 -26.66 -22.19 2.61 1 0 1000.00 -999 ? >ASN.B 84 -23.59 -20.91 -0.90 -25.07 -19.59 -1.67 -24.33 -20.25 -1.29 2 0 1000.00 -999 ? >ARG.B 85 -18.49 -21.30 2.07 -17.75 -18.37 2.78 -18.12 -19.83 2.43 2 0 1000.00 -999 ? >ILE.B 86 -20.50 -26.84 5.61 -21.50 -27.53 6.40 -21.00 -27.19 6.01 3 0 1000.00 -999 ? >ILE.B 87 -20.57 -21.65 8.41 -19.53 -20.74 8.01 -20.05 -21.19 8.21 3 0 1000.00 -999 ? >GLU.B 88 -16.97 -26.22 10.35 -18.28 -27.87 9.95 -17.62 -27.04 10.15 2 0 1000.00 -999 ? >GLY.B 89 -19.54 -23.55 14.99 -18.83 -23.91 14.74 -19.19 -23.73 14.86 1 0 1000.00 -999 ? >GLY.C 0 -27.60 -45.46 -3.80 -26.77 -45.53 -4.05 -27.19 -45.49 -3.92 1 0 1000.00 -999 ? >MET.C 1 -24.82 -46.48 -1.40 -22.60 -45.77 -3.79 -23.71 -46.12 -2.60 2 0 1000.00 -999 ? >ALA.C 2 -26.96 -47.55 1.61 -27.33 -49.00 1.32 -27.15 -48.28 1.46 2 0 1000.00 -999 ? >ILE^C 3 -25.26 -49.54 5.75 -26.03 -48.79 6.64 -25.65 -49.16 6.20 3 0 1000.00 -999 ? >ARG^C 4 -21.40 -46.07 2.30 -19.41 -44.56 0.49 -20.40 -45.32 1.39 2 0 1000.00 -999 ? >ARG^C 5 -18.25 -45.56 11.19 -16.88 -42.85 10.64 -17.56 -44.21 10.92 2 0 1000.00 -999 ? >LEU^C 6 -21.90 -51.37 11.19 -23.70 -52.01 10.21 -22.80 -51.69 10.70 3 0 1000.00 -999 ? >VAL^C 7 -19.99 -49.72 15.03 -18.86 -48.03 15.81 -19.43 -48.88 15.42 3 0 1000.00 -999 ? >LEU^C 8 -21.25 -54.05 16.26 -22.58 -54.25 14.57 -21.91 -54.15 15.42 3 0 1000.00 -999 ? >ASP^C 9 -21.32 -52.74 21.86 -20.49 -53.08 23.77 -20.90 -52.91 22.82 2 0 1000.00 -999 ? >VAL^C 10 -20.32 -57.33 20.66 -20.13 -58.21 18.66 -20.22 -57.77 19.66 3 0 1000.00 -999 ? >LEU^C 11 -21.28 -60.46 24.14 -21.76 -59.45 26.01 -21.52 -59.96 25.08 3 0 1000.00 -999 ? >LYS^C 12 -18.12 -63.27 22.39 -14.12 -65.83 20.54 -16.12 -64.55 21.47 2 0 1000.00 -999 ? >PRO^C 13 -18.84 -67.53 23.22 -17.48 -65.91 23.94 -18.16 -66.72 23.58 3 0 1000.00 -999 ? >ILE.C 14 -13.09 -66.18 27.08 -12.28 -66.52 28.09 -12.69 -66.35 27.58 3 0 1000.00 -999 ? >ARG.C 15 -12.45 -72.22 24.85 -10.45 -72.36 27.18 -11.45 -72.29 26.01 2 0 1000.00 -999 ? >GLY.C 16 -14.01 -70.35 20.12 -13.27 -69.85 20.03 -13.64 -70.10 20.07 1 0 1000.00 -999 ? >THR.C 17 -13.57 -68.43 16.92 -14.85 -68.10 15.21 -14.21 -68.27 16.07 2 0 1000.00 -999 ? >SER~C 18 -10.56 -66.16 17.45 -8.85 -66.09 15.77 -9.70 -66.12 16.61 2 0 1000.00 -999 ? >ILE~C 19 -11.08 -61.30 17.63 -10.67 -60.58 18.76 -10.87 -60.94 18.19 3 0 1000.00 -999 ? >VAL~C 20 -8.56 -62.75 13.93 -6.41 -62.94 13.82 -7.48 -62.84 13.87 3 0 1000.00 -999 ? >ASP~C 21 -10.81 -66.84 12.46 -9.02 -67.96 12.51 -9.91 -67.40 12.48 2 0 1000.00 -999 ? >LEU~C 22 -14.18 -63.03 14.19 -16.24 -62.65 14.81 -15.21 -62.84 14.50 3 0 1000.00 -999 ? >ALA~C 23 -12.26 -60.21 11.35 -11.02 -59.48 11.89 -11.64 -59.84 11.62 2 0 1000.00 -999 ? >GLU~C 24 -9.91 -63.77 6.76 -8.24 -65.06 6.47 -9.08 -64.42 6.61 2 0 1000.00 -999 ? >ARG~C 25 -14.66 -66.91 9.52 -13.41 -69.32 10.94 -14.04 -68.12 10.23 2 0 1000.00 -999 ? >ILE~C 26 -16.47 -59.46 9.19 -17.17 -58.80 10.25 -16.82 -59.13 9.72 3 0 1000.00 -999 ? >SER~C 27 -13.87 -58.63 5.64 -11.66 -59.65 5.68 -12.76 -59.14 5.66 2 0 1000.00 -999 ? >LYS~C 28 -14.75 -61.08 2.85 -10.12 -64.01 2.96 -12.43 -62.54 2.91 2 0 1000.00 -999 ? >LEU.C 29 -19.33 -59.61 3.92 -20.37 -60.93 5.31 -19.85 -60.27 4.61 3 0 1000.00 -999 ? >ASP.C 30 -20.95 -58.50 -1.10 -20.63 -60.17 -2.36 -20.79 -59.33 -1.73 2 0 1000.00 -999 ? >GLY.C 31 -19.27 -54.38 0.09 -18.75 -54.87 0.46 -19.01 -54.62 0.27 1 0 1000.00 -999 ? >VAL^C 32 -16.99 -54.59 3.13 -17.00 -55.74 4.95 -17.00 -55.17 4.04 3 0 1000.00 -999 ? >GLU^C 33 -14.76 -50.97 0.94 -14.88 -48.97 0.29 -14.82 -49.97 0.62 2 0 1000.00 -999 ? >GLY^C 34 -12.42 -52.82 6.20 -13.22 -52.94 6.25 -12.82 -52.88 6.22 1 0 1000.00 -999 ? >VAL^C 35 -12.99 -54.31 9.63 -14.13 -56.13 9.78 -13.56 -55.22 9.71 3 0 1000.00 -999 ? >ASN^C 36 -11.17 -51.78 13.20 -9.87 -51.39 14.84 -10.52 -51.58 14.02 2 0 1000.00 -999 ? >ILE^C 37 -12.22 -57.06 15.84 -13.12 -58.25 15.90 -12.67 -57.66 15.87 3 0 1000.00 -999 ? >SER^C 38 -10.67 -54.45 19.32 -11.33 -52.15 19.49 -11.00 -53.30 19.40 2 0 1000.00 -999 ? >VAL^C 39 -11.09 -55.87 22.80 -10.37 -57.72 23.68 -10.73 -56.80 23.24 3 0 1000.00 -999 ? >THR^C 40 -12.71 -53.40 25.20 -14.65 -53.04 24.34 -13.68 -53.22 24.77 2 0 1000.00 -999 ? >ASP^C 41 -13.74 -55.10 29.31 -15.82 -55.04 28.87 -14.78 -55.07 29.09 2 0 1000.00 -999 ? >MET^C 42 -13.18 -59.37 29.31 -9.76 -60.79 27.37 -11.47 -60.08 28.34 2 0 1000.00 -999 ? >ASP.C 43 -16.21 -61.76 32.17 -17.42 -60.15 32.83 -16.82 -60.96 32.50 2 0 1000.00 -999 ? >VAL.C 44 -13.71 -65.01 32.92 -14.60 -65.52 34.85 -14.16 -65.27 33.88 3 0 1000.00 -999 ? >GLU.C 45 -18.33 -66.64 30.99 -19.77 -67.86 32.00 -19.05 -67.25 31.50 2 0 1000.00 -999 ? >THR^C 46 -16.83 -63.67 27.80 -18.80 -63.25 28.61 -17.81 -63.46 28.21 2 0 1000.00 -999 ? >MET^C 47 -14.99 -61.11 25.69 -12.10 -62.09 22.85 -13.54 -61.60 24.27 2 0 1000.00 -999 ? >GLY^C 48 -16.24 -57.53 25.07 -15.52 -57.83 24.74 -15.88 -57.68 24.91 1 0 1000.00 -999 ? >LEU^C 49 -15.60 -57.51 20.44 -14.43 -59.31 20.24 -15.02 -58.41 20.34 3 0 1000.00 -999 ? >MET^C 50 -15.99 -53.21 19.49 -18.03 -50.44 20.29 -17.01 -51.82 19.89 2 0 1000.00 -999 ? >ILE^C 51 -17.15 -55.40 15.44 -17.14 -56.82 14.93 -17.15 -56.11 15.18 3 0 1000.00 -999 ? >ILE^C 52 -15.11 -50.16 13.44 -14.90 -48.72 13.78 -15.01 -49.44 13.61 3 0 1000.00 -999 ? >ILE^C 53 -18.22 -53.29 9.51 -18.70 -54.65 9.33 -18.46 -53.97 9.42 3 0 1000.00 -999 ? >GLU^C 54 -15.76 -47.93 8.11 -14.76 -46.05 7.96 -15.26 -46.99 8.04 2 0 1000.00 -999 ? >GLY^C 55 -17.76 -50.28 3.18 -18.23 -49.69 3.47 -18.00 -49.99 3.33 1 0 1000.00 -999 ? >THR.C 56 -20.50 -49.76 0.63 -19.92 -48.76 -1.16 -20.21 -49.26 -0.27 2 0 1000.00 -999 ? >SER.C 57 -24.07 -51.06 0.93 -23.81 -52.07 -1.25 -23.94 -51.57 -0.16 2 0 1000.00 -999 ? >LEU.C 58 -22.49 -52.70 5.19 -20.38 -52.29 5.44 -21.43 -52.50 5.31 3 0 1000.00 -999 ? >ASN~C 59 -25.80 -57.19 3.60 -27.65 -58.19 3.81 -26.72 -57.69 3.71 2 0 1000.00 -999 ? >PHE~C 60 -27.34 -54.96 10.40 -27.44 -55.22 13.17 -27.39 -55.09 11.78 3 0 1000.00 -999 ? >ASP~C 61 -29.65 -59.37 7.16 -31.37 -58.25 7.66 -30.51 -58.81 7.41 2 0 1000.00 -999 ? >ASP~C 62 -24.78 -60.78 5.40 -25.95 -61.26 3.68 -25.36 -61.02 4.54 2 0 1000.00 -999 ? >ILE~C 63 -22.78 -57.99 9.43 -21.95 -56.88 9.38 -22.37 -57.44 9.40 3 0 1000.00 -999 ? >ARG~C 64 -29.21 -59.94 13.26 -30.71 -58.19 15.32 -29.96 -59.07 14.29 2 0 1000.00 -999 ? >LYS~C 65 -25.97 -63.81 10.72 -29.60 -65.01 7.74 -27.78 -64.41 9.23 2 0 1000.00 -999 ? >MET~C 66 -22.21 -64.33 10.57 -18.84 -63.25 8.44 -20.52 -63.79 9.51 2 0 1000.00 -999 ? >LEU~C 67 -21.97 -61.66 14.61 -20.67 -59.93 14.43 -21.32 -60.80 14.52 3 0 1000.00 -999 ? >GLU~C 68 -26.67 -64.31 15.59 -28.71 -64.51 14.99 -27.69 -64.41 15.29 2 0 1000.00 -999 ? >GLU~C 69 -23.98 -68.74 11.46 -23.80 -68.70 9.36 -23.89 -68.72 10.41 2 0 1000.00 -999 ? >GLU~C 70 -18.28 -66.52 13.17 -17.25 -68.26 12.51 -17.77 -67.39 12.84 2 0 1000.00 -999 ? >GLY.C 71 -20.96 -67.51 18.72 -20.89 -66.83 18.31 -20.92 -67.17 18.51 1 0 1000.00 -999 ? >CYH.C 72 -21.22 -63.73 19.04 -18.74 -63.19 17.90 -19.98 -63.46 18.47 2 0 1000.00 -999 ? >ALA^C 73 -24.04 -61.54 20.29 -24.62 -61.82 21.66 -24.33 -61.68 20.98 2 0 1000.00 -999 ? >ILE^C 74 -25.27 -57.38 18.09 -25.23 -56.70 16.83 -25.25 -57.04 17.46 3 0 1000.00 -999 ? >HIS^C 75 -24.51 -55.11 24.91 -25.04 -53.95 26.57 -24.77 -54.53 25.74 3 0 1000.00 -999 ? >SER^C 76 -25.52 -52.71 20.90 -25.19 -50.38 21.49 -25.35 -51.54 21.19 2 0 1000.00 -999 ? >ILE^C 77 -26.44 -51.01 16.42 -27.09 -51.42 15.30 -26.77 -51.21 15.86 3 0 1000.00 -999 ? >ASP^C 78 -22.11 -47.87 19.32 -22.02 -48.86 21.19 -22.07 -48.37 20.25 2 0 1000.00 -999 ? >GLU^C 79 -21.73 -44.36 14.15 -20.01 -43.12 14.34 -20.87 -43.74 14.24 2 0 1000.00 -999 ? >VAL^C 80 -24.45 -46.44 11.81 -26.47 -46.97 11.13 -25.46 -46.70 11.47 3 0 1000.00 -999 ? >VAL^C 81 -23.64 -44.29 8.80 -21.93 -42.95 8.72 -22.78 -43.62 8.76 3 0 1000.00 -999 ? >SER^C 82 -25.66 -44.42 5.59 -27.67 -45.42 4.65 -26.66 -44.92 5.12 2 0 1000.00 -999 ? >GLY^C 83 -25.71 -42.69 2.21 -25.04 -43.10 2.30 -25.38 -42.89 2.25 1 0 1000.00 -999 ? >ASN.C 84 -23.89 -40.03 -1.36 -25.79 -40.29 -2.27 -24.84 -40.16 -1.82 2 0 1000.00 -999 ? >ARG.C 85 -20.22 -36.37 1.95 -21.93 -33.79 1.89 -21.07 -35.08 1.92 2 0 1000.00 -999 ? >ILE.C 86 -17.93 -41.53 5.74 -18.15 -42.69 6.71 -18.04 -42.11 6.23 3 0 1000.00 -999 ? >ILE.C 87 -22.10 -38.01 8.13 -22.11 -36.70 7.61 -22.11 -37.35 7.87 3 0 1000.00 -999 ? >GLU.C 88 -16.34 -38.16 10.67 -15.92 -40.22 11.08 -16.13 -39.19 10.88 2 0 1000.00 -999 ? >GLY.C 89 -20.18 -37.63 14.94 -19.53 -37.26 14.63 -19.86 -37.44 14.79 1 0 1000.00 -999 ? >GLY.D 0 -8.94 -60.29 -0.83 -8.12 -60.36 -1.07 -8.53 -60.32 -0.95 1 0 1000.00 -999 ? >MET.D 1 -6.22 -58.93 1.45 -4.88 -55.90 -0.88 -5.55 -57.41 0.28 2 0 1000.00 -999 ? >ALA.D 2 -7.34 -60.43 4.75 -6.64 -61.78 4.59 -6.99 -61.10 4.67 2 0 1000.00 -999 ? >ILE^D 3 -4.99 -60.42 9.08 -6.04 -60.26 9.93 -5.51 -60.34 9.50 3 0 1000.00 -999 ? >ARG^D 4 -4.34 -55.81 4.74 -3.78 -53.71 2.56 -4.06 -54.76 3.65 2 0 1000.00 -999 ? >ARG^D 5 -3.08 -51.68 13.14 -3.91 -48.93 11.98 -3.49 -50.31 12.56 2 0 1000.00 -999 ? >LEU^D 6 -1.77 -58.30 14.44 -2.58 -60.15 13.73 -2.17 -59.22 14.09 3 0 1000.00 -999 ? >VAL^D 7 -1.82 -55.12 17.78 -2.21 -52.99 18.15 -2.02 -54.06 17.96 3 0 1000.00 -999 ? >LEU^D 8 0.14 -58.80 19.89 -0.57 -60.16 18.41 -0.22 -59.48 19.15 3 0 1000.00 -999 ? >ASP^D 9 -1.26 -56.92 25.14 -0.58 -56.24 27.02 -0.92 -56.58 26.08 2 0 1000.00 -999 ? >VAL^D 10 2.68 -59.71 24.75 3.58 -60.58 22.95 3.13 -60.15 23.85 3 0 1000.00 -999 ? >LEU^D 11 3.86 -61.95 28.80 2.66 -61.22 30.46 3.26 -61.58 29.63 3 0 1000.00 -999 ? >LYS^D 12 8.22 -62.06 27.39 13.01 -61.46 25.79 10.61 -61.76 26.59 2 0 1000.00 -999 ? >PRO^D 13 10.51 -65.44 29.06 10.35 -63.23 29.36 10.43 -64.33 29.21 3 0 1000.00 -999 ? >ILE.D 14 13.48 -59.84 32.19 14.24 -59.33 33.20 13.86 -59.58 32.70 3 0 1000.00 -999 ? >ARG.D 15 18.25 -64.09 31.06 19.57 -62.36 33.21 18.91 -63.22 32.14 2 0 1000.00 -999 ? >GLY.D 16 16.22 -64.69 26.19 16.42 -63.84 25.96 16.32 -64.27 26.08 1 0 1000.00 -999 ? >THR.D 17 15.48 -63.61 22.66 14.41 -64.56 21.02 14.94 -64.08 21.84 2 0 1000.00 -999 ? >SER~D 18 16.06 -59.85 22.57 17.40 -58.95 20.77 16.73 -59.40 21.67 2 0 1000.00 -999 ? >ILE~D 19 12.33 -56.72 21.83 12.03 -55.72 22.71 12.18 -56.22 22.27 3 0 1000.00 -999 ? >VAL~D 20 15.43 -56.73 18.31 17.16 -55.41 18.08 16.30 -56.07 18.20 3 0 1000.00 -999 ? >ASP~D 21 16.75 -61.42 17.82 18.85 -61.03 17.89 17.80 -61.22 17.86 2 0 1000.00 -999 ? >LEU~D 22 11.56 -60.71 19.03 9.78 -61.73 19.66 10.67 -61.22 19.35 3 0 1000.00 -999 ? >ALA~D 23 11.23 -57.92 15.58 11.62 -56.49 15.85 11.43 -57.21 15.72 2 0 1000.00 -999 ? >GLU~D 24 15.73 -59.67 11.59 17.83 -59.43 11.45 16.78 -59.55 11.52 2 0 1000.00 -999 ? >ARG~D 25 13.75 -65.28 15.08 16.69 -66.25 15.52 15.22 -65.77 15.30 2 0 1000.00 -999 ? >ILE~D 26 7.80 -60.64 13.59 6.77 -60.46 14.56 7.29 -60.55 14.08 3 0 1000.00 -999 ? >SER~D 27 9.43 -58.93 9.79 11.73 -58.15 9.88 10.58 -58.54 9.83 2 0 1000.00 -999 ? >LYS~D 28 10.70 -61.77 7.58 16.02 -60.69 7.88 13.36 -61.23 7.73 2 0 1000.00 -999 ? >LEU.D 29 6.30 -63.67 8.68 6.32 -65.05 10.36 6.31 -64.36 9.52 3 0 1000.00 -999 ? >ASP.D 30 4.72 -64.90 3.66 6.16 -66.08 2.67 5.44 -65.49 3.16 2 0 1000.00 -999 ? >GLY.D 31 3.05 -60.63 3.94 3.72 -60.55 4.36 3.38 -60.59 4.15 1 0 1000.00 -999 ? >VAL^D 32 4.60 -58.65 6.80 5.25 -59.15 8.81 4.92 -58.90 7.80 3 0 1000.00 -999 ? >GLU^D 33 3.93 -54.96 3.88 2.53 -53.76 2.93 3.23 -54.36 3.40 2 0 1000.00 -999 ? >GLY^D 34 6.49 -53.74 9.19 5.98 -54.37 9.32 6.24 -54.06 9.25 1 0 1000.00 -999 ? >VAL^D 35 6.80 -54.55 12.88 7.20 -56.59 13.46 7.00 -55.57 13.17 3 0 1000.00 -999 ? >ASN^D 36 6.13 -50.88 15.79 6.70 -49.44 17.26 6.42 -50.16 16.53 2 0 1000.00 -999 ? >ILE^D 37 8.77 -54.86 19.41 8.92 -56.29 19.75 8.84 -55.58 19.58 3 0 1000.00 -999 ? >SER^D 38 7.88 -51.31 22.22 5.80 -50.09 21.95 6.84 -50.70 22.09 2 0 1000.00 -999 ? >VAL^D 39 8.24 -51.96 25.93 9.95 -52.60 27.09 9.09 -52.28 26.51 3 0 1000.00 -999 ? >THR^D 40 5.17 -50.90 27.92 3.59 -52.14 27.18 4.38 -51.52 27.55 2 0 1000.00 -999 ? >ASP^D 41 5.27 -52.04 32.37 3.78 -53.53 32.08 4.52 -52.79 32.23 2 0 1000.00 -999 ? >MET^D 42 8.59 -54.71 33.10 12.22 -53.74 31.26 10.41 -54.22 32.18 2 0 1000.00 -999 ? >ASP.D 43 7.81 -57.95 36.58 5.78 -57.53 36.99 6.79 -57.74 36.78 2 0 1000.00 -999 ? >VAL.D 44 11.79 -58.38 37.73 11.36 -59.00 39.78 11.57 -58.69 38.75 3 0 1000.00 -999 ? >GLU.D 45 9.69 -63.04 36.44 9.41 -64.71 37.74 9.55 -63.88 37.09 2 0 1000.00 -999 ? >THR^D 46 8.99 -60.49 32.68 7.21 -61.41 33.52 8.10 -60.95 33.10 2 0 1000.00 -999 ? >MET^D 47 8.75 -57.82 30.00 11.76 -56.97 27.25 10.25 -57.40 28.63 2 0 1000.00 -999 ? >GLY^D 48 5.44 -56.26 28.83 6.19 -56.04 28.50 5.82 -56.15 28.66 1 0 1000.00 -999 ? >LEU^D 49 6.25 -56.65 24.23 8.35 -57.15 24.37 7.30 -56.90 24.30 3 0 1000.00 -999 ? >MET^D 50 3.15 -54.01 22.50 0.60 -50.77 21.64 1.88 -52.39 22.07 2 0 1000.00 -999 ? >ILE^D 51 4.05 -57.15 19.07 5.07 -58.23 18.88 4.56 -57.69 18.97 3 0 1000.00 -999 ? >ILE^D 52 2.14 -52.38 15.99 1.28 -51.15 16.05 1.71 -51.76 16.02 3 0 1000.00 -999 ? >ILE^D 53 2.34 -57.42 12.93 2.96 -58.73 13.06 2.65 -58.07 12.99 3 0 1000.00 -999 ? >GLU^D 54 0.60 -52.20 10.40 0.11 -50.21 9.84 0.35 -51.21 10.12 2 0 1000.00 -999 ? >GLY^D 55 1.10 -56.14 6.13 0.32 -55.99 6.35 0.71 -56.07 6.24 1 0 1000.00 -999 ? >THR.D 56 -1.07 -58.08 3.72 -1.19 -57.31 1.72 -1.13 -57.70 2.72 2 0 1000.00 -999 ? >SER.D 57 -2.77 -61.40 4.48 -1.69 -62.35 2.55 -2.23 -61.88 3.51 2 0 1000.00 -999 ? >LEU.D 58 -0.84 -60.72 8.86 0.40 -58.91 8.87 -0.22 -59.81 8.87 3 0 1000.00 -999 ? >ASN~D 59 -0.03 -66.44 8.38 -0.70 -68.37 8.93 -0.36 -67.41 8.66 2 0 1000.00 -999 ? >PHE~D 60 -3.21 -64.68 14.72 -3.31 -64.44 17.49 -3.26 -64.56 16.11 3 0 1000.00 -999 ? >ASP~D 61 -1.63 -69.97 12.53 -3.69 -70.27 12.91 -2.66 -70.12 12.72 2 0 1000.00 -999 ? >ASP~D 62 3.02 -67.95 10.73 2.70 -69.43 9.24 2.86 -68.69 9.98 2 0 1000.00 -999 ? >ILE~D 63 2.26 -63.89 14.05 2.12 -62.56 13.74 2.19 -63.22 13.90 3 0 1000.00 -999 ? >ARG~D 64 -1.40 -69.06 18.57 -3.86 -68.54 20.37 -2.63 -68.80 19.47 2 0 1000.00 -999 ? >LYS~D 65 3.82 -70.00 16.63 2.30 -73.87 14.03 3.06 -71.93 15.33 2 0 1000.00 -999 ? >MET~D 66 6.92 -67.81 16.39 8.87 -65.07 13.97 7.90 -66.44 15.18 2 0 1000.00 -999 ? >LEU~D 67 4.91 -65.12 19.91 4.71 -63.01 19.39 4.81 -64.06 19.65 3 0 1000.00 -999 ? >GLU~D 68 3.23 -70.08 21.51 1.92 -71.72 21.05 2.58 -70.90 21.28 2 0 1000.00 -999 ? >GLU~D 69 8.55 -72.02 18.14 8.84 -72.21 16.08 8.70 -72.11 17.11 2 0 1000.00 -999 ? >GLU~D 70 11.03 -66.28 19.15 13.01 -66.95 18.80 12.02 -66.61 18.98 2 0 1000.00 -999 ? >GLY.D 71 9.29 -67.93 24.91 8.91 -67.46 24.38 9.10 -67.69 24.64 1 0 1000.00 -999 ? >CYH.D 72 6.49 -65.36 24.58 8.01 -63.46 23.33 7.25 -64.41 23.95 2 0 1000.00 -999 ? >ALA^D 73 2.85 -65.52 25.57 2.52 -65.84 27.00 2.68 -65.68 26.28 2 0 1000.00 -999 ? >ILE^D 74 -0.69 -63.77 22.70 -1.02 -63.43 21.32 -0.85 -63.60 22.01 3 0 1000.00 -999 ? >HIS^D 75 -2.27 -60.56 28.96 -3.60 -59.83 30.42 -2.93 -60.19 29.69 3 0 1000.00 -999 ? >SER^D 76 -4.28 -60.18 24.64 -5.69 -58.21 24.80 -4.99 -59.20 24.72 2 0 1000.00 -999 ? >ILE^D 77 -5.72 -60.32 20.00 -5.83 -61.23 18.99 -5.77 -60.77 19.50 3 0 1000.00 -999 ? >ASP^D 78 -4.97 -54.67 22.08 -4.37 -55.05 24.06 -4.67 -54.86 23.07 2 0 1000.00 -999 ? >GLU^D 79 -6.68 -52.75 16.36 -6.30 -50.66 16.21 -6.49 -51.70 16.28 2 0 1000.00 -999 ? >VAL^D 80 -7.01 -56.50 14.59 -8.04 -58.36 14.11 -7.53 -57.43 14.35 3 0 1000.00 -999 ? >VAL^D 81 -7.64 -54.86 11.21 -7.33 -52.77 10.87 -7.49 -53.82 11.04 3 0 1000.00 -999 ? >SER^D 82 -8.70 -56.83 8.15 -9.40 -59.09 7.54 -9.05 -57.96 7.84 2 0 1000.00 -999 ? >GLY.D 83 -9.66 -56.16 4.53 -8.91 -55.98 4.65 -9.28 -56.07 4.59 1 0 1000.00 -999 ? >ASN.D 84 -9.87 -53.60 0.48 -11.01 -55.25 -0.25 -10.44 -54.42 0.12 2 0 1000.00 -999 ? >ARG.D 85 -10.68 -48.12 2.58 -13.47 -47.33 3.68 -12.07 -47.72 3.13 2 0 1000.00 -999 ? >ILE.D 86 -5.65 -49.42 7.55 -5.02 -50.38 8.41 -5.34 -49.90 7.98 3 0 1000.00 -999 ? >ILE.D 87 -11.29 -49.62 9.48 -12.18 -48.59 9.03 -11.73 -49.10 9.26 3 0 1000.00 -999 ? >GLU.D 88 -6.77 -45.95 12.65 -5.74 -46.95 14.25 -6.26 -46.45 13.45 2 0 1000.00 -999 ? >GLY.D 89 -10.72 -47.63 16.08 -10.46 -46.90 15.79 -10.59 -47.27 15.93 1 0 1000.00 -999 ? >LYS.D 90 -12.81 -45.03 17.92 -19.23 -44.21 18.37 -16.02 -44.62 18.14 2 0 1000.00 -999 ? >GLY.E 0 15.08 -57.97 2.54 15.31 -57.23 2.12 15.20 -57.60 2.33 1 0 1000.00 -999 ? >MET.E 1 15.45 -54.98 4.94 14.56 -52.13 2.71 15.01 -53.55 3.82 2 0 1000.00 -999 ? >ALA.E 2 15.42 -55.98 8.65 16.85 -56.54 8.80 16.13 -56.26 8.73 2 0 1000.00 -999 ? >ILE^E 3 16.97 -53.66 12.65 16.13 -54.02 13.72 16.55 -53.84 13.18 3 0 1000.00 -999 ? >ARG^E 4 14.33 -50.48 7.82 13.40 -48.84 5.38 13.86 -49.66 6.60 2 0 1000.00 -999 ? >ARG^E 5 12.43 -45.47 15.57 10.04 -44.10 14.18 11.23 -44.78 14.88 2 0 1000.00 -999 ? >LEU^E 6 17.73 -49.35 17.53 18.36 -51.35 17.11 18.05 -50.35 17.32 3 0 1000.00 -999 ? >VAL^E 7 15.55 -46.56 20.47 13.84 -45.19 20.64 14.70 -45.87 20.56 3 0 1000.00 -999 ? >LEU^E 8 19.41 -47.77 22.84 19.78 -49.46 21.54 19.60 -48.62 22.19 3 0 1000.00 -999 ? >ASP^E 9 17.04 -46.54 27.92 17.08 -45.33 29.66 17.06 -45.94 28.79 2 0 1000.00 -999 ? >VAL^E 10 21.85 -46.11 27.57 23.14 -46.42 25.84 22.50 -46.27 26.70 3 0 1000.00 -999 ? >LEU^E 11 24.25 -46.50 31.69 23.03 -46.45 33.39 23.64 -46.48 32.54 3 0 1000.00 -999 ? >LYS^E 12 27.56 -43.94 30.00 30.82 -40.63 27.99 29.19 -42.29 28.99 2 0 1000.00 -999 ? >PRO^E 13 31.48 -44.75 31.85 29.91 -43.15 31.89 30.69 -43.95 31.87 3 0 1000.00 -999 ? >ILE.E 14 30.00 -38.23 34.12 30.24 -37.23 35.02 30.12 -37.73 34.57 3 0 1000.00 -999 ? >ARG.E 15 36.42 -38.47 33.13 36.30 -36.02 34.97 36.36 -37.24 34.05 2 0 1000.00 -999 ? >GLY.E 16 35.36 -40.88 28.50 34.96 -40.15 28.17 35.16 -40.51 28.33 1 0 1000.00 -999 ? >THR.E 17 34.14 -41.04 24.94 33.98 -42.66 23.50 34.06 -41.85 24.22 2 0 1000.00 -999 ? >SER~E 18 32.12 -37.84 24.39 32.61 -36.58 22.40 32.37 -37.21 23.40 2 0 1000.00 -999 ? >ILE~E 19 27.27 -38.03 23.59 26.36 -37.34 24.39 26.82 -37.68 23.99 3 0 1000.00 -999 ? >VAL~E 20 29.69 -36.49 19.86 30.17 -34.41 19.37 29.93 -35.45 19.62 3 0 1000.00 -999 ? >ASP~E 21 33.75 -39.22 19.82 35.06 -37.56 19.68 34.40 -38.39 19.75 2 0 1000.00 -999 ? >LEU~E 22 29.32 -41.90 21.33 28.61 -43.73 22.19 28.96 -42.82 21.76 3 0 1000.00 -999 ? >ALA~E 23 27.32 -40.50 17.60 26.65 -39.13 17.69 26.98 -39.82 17.64 2 0 1000.00 -999 ? >GLU~E 24 31.92 -39.42 13.52 33.34 -37.90 13.20 32.63 -38.66 13.36 2 0 1000.00 -999 ? >ARG~E 25 33.78 -44.51 18.15 36.71 -43.60 18.74 35.25 -44.05 18.44 2 0 1000.00 -999 ? >ILE~E 26 26.56 -45.00 16.20 25.64 -45.38 17.20 26.10 -45.19 16.70 3 0 1000.00 -999 ? >SER~E 27 26.71 -43.17 12.13 27.94 -41.10 11.93 27.33 -42.14 12.03 2 0 1000.00 -999 ? >LYS~E 28 29.56 -44.80 10.17 32.92 -40.46 9.95 31.24 -42.63 10.06 2 0 1000.00 -999 ? >LEU.E 29 27.43 -48.91 11.81 28.30 -49.71 13.62 27.87 -49.31 12.71 3 0 1000.00 -999 ? >ASP.E 30 27.14 -51.54 7.08 29.04 -51.63 6.13 28.09 -51.58 6.61 2 0 1000.00 -999 ? >GLY.E 31 23.07 -49.37 7.01 23.53 -48.81 7.36 23.30 -49.09 7.18 1 0 1000.00 -999 ? >VAL^E 32 22.92 -46.52 9.51 23.71 -46.19 11.48 23.31 -46.35 10.50 3 0 1000.00 -999 ? >GLU^E 33 20.05 -44.58 6.23 18.23 -44.72 5.24 19.14 -44.65 5.73 2 0 1000.00 -999 ? >GLY^E 34 21.10 -41.31 11.18 21.11 -42.08 11.42 21.10 -41.69 11.30 1 0 1000.00 -999 ? >VAL^E 35 21.81 -41.21 14.91 23.43 -42.42 15.67 22.62 -41.81 15.29 3 0 1000.00 -999 ? >ASN^E 36 18.87 -38.47 17.43 18.36 -36.82 18.70 18.61 -37.65 18.07 2 0 1000.00 -999 ? >ILE^E 37 23.39 -39.29 21.25 24.44 -40.20 21.72 23.91 -39.74 21.48 3 0 1000.00 -999 ? >SER^E 38 20.35 -36.83 23.72 18.00 -37.29 23.47 19.17 -37.06 23.59 2 0 1000.00 -999 ? >VAL^E 39 21.00 -36.58 27.43 22.69 -35.77 28.55 21.84 -36.17 27.99 3 0 1000.00 -999 ? >THR^E 40 17.95 -37.50 29.53 17.58 -39.55 29.02 17.77 -38.52 29.27 2 0 1000.00 -999 ? >ASP^E 41 18.71 -37.69 34.04 18.57 -39.83 34.03 18.64 -38.76 34.04 2 0 1000.00 -999 ? >MET^E 42 22.94 -37.44 34.81 25.07 -34.55 32.68 24.01 -36.00 33.75 2 0 1000.00 -999 ? >ASP.E 43 24.41 -39.90 38.69 22.60 -40.84 39.23 23.50 -40.37 38.96 2 0 1000.00 -999 ? >VAL.E 44 27.68 -37.48 39.55 27.69 -37.95 41.64 27.68 -37.72 40.59 3 0 1000.00 -999 ? >GLU.E 45 29.16 -42.51 38.97 29.99 -43.76 40.46 29.58 -43.13 39.72 2 0 1000.00 -999 ? >THR^E 46 27.03 -41.56 35.02 26.28 -43.29 36.13 26.66 -42.42 35.58 2 0 1000.00 -999 ? >MET^E 47 25.14 -40.07 32.09 26.86 -37.86 29.02 26.00 -38.97 30.56 2 0 1000.00 -999 ? >GLY^E 48 21.64 -41.21 30.99 22.06 -40.60 30.59 21.85 -40.90 30.79 1 0 1000.00 -999 ? >LEU^E 49 22.59 -41.59 26.43 24.50 -40.55 26.44 23.54 -41.07 26.44 3 0 1000.00 -999 ? >MET^E 50 18.52 -41.86 24.67 15.34 -43.12 24.95 16.93 -42.49 24.81 2 0 1000.00 -999 ? >ILE^E 51 21.33 -44.08 21.52 22.81 -44.27 21.35 22.07 -44.17 21.43 3 0 1000.00 -999 ? >ILE^E 52 16.80 -42.20 18.11 15.35 -41.82 18.10 16.07 -42.01 18.10 3 0 1000.00 -999 ? >ILE^E 53 20.31 -46.26 15.61 21.64 -46.81 15.84 20.97 -46.53 15.72 3 0 1000.00 -999 ? >GLU^E 54 15.60 -43.81 12.64 13.92 -42.73 11.89 14.76 -43.27 12.27 2 0 1000.00 -999 ? >GLY^E 55 18.63 -46.98 8.80 17.94 -47.35 9.04 18.29 -47.16 8.92 1 0 1000.00 -999 ? >THR.E 56 18.33 -50.18 6.80 17.76 -49.97 4.74 18.04 -50.08 5.77 2 0 1000.00 -999 ? >SER.E 57 19.18 -53.68 8.08 20.64 -53.97 6.19 19.91 -53.82 7.13 2 0 1000.00 -999 ? >LEU.E 58 20.15 -51.30 12.19 19.89 -49.15 11.90 20.02 -50.23 12.04 3 0 1000.00 -999 ? >ASN~E 59 24.49 -55.15 12.26 25.29 -56.93 13.07 24.89 -56.04 12.67 2 0 1000.00 -999 ? >PHE~E 60 20.80 -55.03 18.62 20.50 -54.54 21.33 20.65 -54.79 19.98 3 0 1000.00 -999 ? >ASP~E 61 25.50 -58.28 16.92 24.14 -59.80 17.50 24.82 -59.04 17.21 2 0 1000.00 -999 ? >ASP~E 62 27.72 -54.00 14.56 28.50 -55.50 13.27 28.11 -54.75 13.92 2 0 1000.00 -999 ? >ILE~E 63 24.42 -51.04 17.46 23.46 -50.17 17.01 23.94 -50.61 17.23 3 0 1000.00 -999 ? >ARG~E 64 24.84 -56.58 22.93 22.58 -57.48 24.83 23.71 -57.03 23.88 2 0 1000.00 -999 ? >LYS~E 65 29.47 -54.21 20.75 30.85 -58.47 18.89 30.16 -56.34 19.82 2 0 1000.00 -999 ? >MET~E 66 30.40 -50.61 19.96 30.04 -47.76 17.01 30.22 -49.18 18.49 2 0 1000.00 -999 ? >LEU~E 67 27.00 -49.32 23.18 25.47 -48.00 22.37 26.24 -48.66 22.78 3 0 1000.00 -999 ? >GLU~E 68 28.96 -53.85 25.60 29.04 -55.98 25.43 29.00 -54.91 25.52 2 0 1000.00 -999 ? >GLU~E 69 34.30 -52.38 22.13 34.64 -52.67 20.06 34.47 -52.53 21.10 2 0 1000.00 -999 ? >GLU~E 70 32.40 -46.33 22.11 34.34 -45.58 21.70 33.37 -45.96 21.91 2 0 1000.00 -999 ? >GLY.E 71 31.98 -47.77 28.17 31.39 -47.74 27.61 31.68 -47.75 27.89 1 0 1000.00 -999 ? >CYH.E 72 28.20 -47.70 27.68 28.19 -45.54 25.94 28.20 -46.62 26.81 2 0 1000.00 -999 ? >ALA^E 73 25.51 -50.01 28.98 25.42 -50.24 30.48 25.47 -50.12 29.73 2 0 1000.00 -999 ? >ILE^E 74 21.78 -51.49 26.19 21.36 -51.68 24.81 21.57 -51.58 25.50 3 0 1000.00 -999 ? >HIS^E 75 18.22 -49.12 32.00 16.70 -49.18 33.44 17.46 -49.15 32.72 3 0 1000.00 -999 ? >SER^E 76 16.65 -50.83 27.89 14.31 -50.25 27.90 15.48 -50.54 27.89 2 0 1000.00 -999 ? >ILE^E 77 15.80 -52.63 23.45 16.36 -53.55 22.61 16.08 -53.09 23.03 3 0 1000.00 -999 ? >ASP^E 78 12.61 -47.59 24.63 13.24 -47.14 26.61 12.93 -47.36 25.62 2 0 1000.00 -999 ? >GLU^E 79 10.28 -48.17 18.84 9.22 -46.38 18.38 9.75 -47.27 18.61 2 0 1000.00 -999 ? >VAL^E 80 12.52 -51.46 17.65 12.95 -53.59 17.50 12.74 -52.52 17.58 3 0 1000.00 -999 ? >VAL^E 81 11.10 -51.22 14.13 10.00 -49.48 13.41 10.55 -50.35 13.77 3 0 1000.00 -999 ? >SER^E 82 11.72 -53.86 11.49 12.71 -56.06 11.24 12.21 -54.96 11.36 2 0 1000.00 -999 ? >GLY^E 83 10.69 -54.59 7.89 11.15 -53.94 7.93 10.92 -54.27 7.91 1 0 1000.00 -999 ? >ASN.E 84 9.01 -53.50 3.53 9.26 -55.57 3.11 9.13 -54.54 3.32 2 0 1000.00 -999 ? >ARG.E 85 4.80 -49.78 4.76 2.25 -50.78 6.19 3.53 -50.28 5.47 2 0 1000.00 -999 ? >ILE.E 86 9.01 -46.41 9.39 9.93 -46.61 10.42 9.47 -46.51 9.91 3 0 1000.00 -999 ? >ILE.E 87 4.99 -50.10 11.92 3.67 -50.22 11.26 4.33 -50.16 11.59 3 0 1000.00 -999 ? >GLU.E 88 5.36 -43.93 13.07 7.45 -43.65 13.45 6.41 -43.79 13.26 2 0 1000.00 -999 ? >GLY.E 89 3.63 -46.84 17.89 3.38 -46.18 17.46 3.51 -46.51 17.68 1 0 1000.00 -999 ? >ALA.F 2 29.34 -36.85 10.15 30.46 -35.94 9.65 29.90 -36.40 9.90 2 0 1000.00 -999 ? >ILE^F 3 28.54 -33.64 13.63 28.14 -34.50 14.56 28.34 -34.07 14.09 3 0 1000.00 -999 ? >ARG^F 4 24.38 -33.75 8.73 22.46 -33.50 6.31 23.42 -33.62 7.52 2 0 1000.00 -999 ? >ARG^F 5 19.78 -30.80 16.42 17.06 -31.69 15.24 18.42 -31.25 15.83 2 0 1000.00 -999 ? >LEU^F 6 26.33 -29.56 18.00 28.18 -30.57 17.59 27.26 -30.07 17.80 3 0 1000.00 -999 ? >VAL^F 7 22.95 -28.84 21.02 20.80 -29.04 21.29 21.87 -28.94 21.15 3 0 1000.00 -999 ? >LEU^F 8 26.61 -26.70 23.01 27.99 -27.75 21.76 27.30 -27.23 22.39 3 0 1000.00 -999 ? >ASP^F 9 24.31 -27.04 28.27 23.57 -25.99 29.96 23.94 -26.51 29.12 2 0 1000.00 -999 ? >VAL^F 10 27.34 -23.36 27.37 28.37 -22.86 25.51 27.85 -23.11 26.44 3 0 1000.00 -999 ? >LEU^F 11 29.35 -21.59 31.31 28.47 -22.42 33.09 28.91 -22.01 32.20 3 0 1000.00 -999 ? >LYS^F 12 29.83 -17.56 29.15 29.58 -13.10 26.69 29.71 -15.33 27.92 2 0 1000.00 -999 ? >PRO^F 13 33.21 -15.15 30.63 30.98 -15.14 30.75 32.10 -15.14 30.69 3 0 1000.00 -999 ? >ILE.F 14 27.62 -11.42 32.78 27.08 -10.49 33.61 27.35 -10.96 33.20 3 0 1000.00 -999 ? >ARG.F 15 32.18 -7.12 31.09 30.56 -5.28 32.88 31.37 -6.20 31.99 2 0 1000.00 -999 ? >GLY.F 16 33.00 -10.01 26.77 32.18 -9.82 26.46 32.59 -9.91 26.62 1 0 1000.00 -999 ? >THR.F 17 32.10 -11.33 23.35 33.07 -12.70 21.97 32.58 -12.01 22.66 2 0 1000.00 -999 ? >SER~F 18 28.38 -10.60 22.90 27.64 -9.62 20.83 28.01 -10.11 21.86 2 0 1000.00 -999 ? >ILE~F 19 25.09 -14.25 22.60 24.00 -14.35 23.45 24.55 -14.30 23.02 3 0 1000.00 -999 ? >VAL~F 20 25.51 -11.85 18.57 24.29 -10.14 17.97 24.90 -10.99 18.27 3 0 1000.00 -999 ? >ASP~F 21 30.30 -10.88 18.24 30.03 -8.81 17.92 30.16 -9.85 18.08 2 0 1000.00 -999 ? >LEU~F 22 29.21 -15.71 20.31 30.11 -17.40 21.33 29.66 -16.56 20.82 3 0 1000.00 -999 ? >ALA~F 23 26.64 -16.54 16.73 25.19 -16.05 16.84 25.91 -16.29 16.78 2 0 1000.00 -999 ? >GLU~F 24 28.92 -12.94 12.16 28.81 -10.88 11.61 28.86 -11.91 11.89 2 0 1000.00 -999 ? >ARG~F 25 33.48 -13.93 16.35 36.55 -14.27 16.29 35.02 -14.10 16.32 2 0 1000.00 -999 ? >ILE~F 26 29.27 -20.35 15.63 28.95 -21.16 16.74 29.11 -20.75 16.18 3 0 1000.00 -999 ? >SER~F 27 27.93 -19.40 11.49 27.28 -17.09 11.09 27.61 -18.25 11.29 2 0 1000.00 -999 ? >LYS~F 28 31.00 -18.70 9.31 30.21 -13.34 8.55 30.61 -16.02 8.93 2 0 1000.00 -999 ? >LEU.F 29 32.54 -22.92 11.32 33.82 -22.64 13.06 33.18 -22.78 12.19 3 0 1000.00 -999 ? >ASP.F 30 34.02 -25.42 6.75 35.35 -24.20 5.66 34.68 -24.81 6.20 2 0 1000.00 -999 ? >GLY.F 31 29.65 -26.84 7.02 29.59 -26.09 7.32 29.62 -26.46 7.17 1 0 1000.00 -999 ? >VAL^F 32 27.60 -24.68 9.38 27.98 -23.72 11.26 27.79 -24.20 10.32 3 0 1000.00 -999 ? >GLU^F 33 24.08 -25.74 6.34 22.87 -27.26 5.55 23.47 -26.50 5.94 2 0 1000.00 -999 ? >GLY^F 34 22.67 -22.16 11.00 23.26 -22.66 11.27 22.97 -22.41 11.14 1 0 1000.00 -999 ? >VAL^F 35 23.24 -21.20 14.63 25.25 -20.78 15.28 24.25 -20.99 14.95 3 0 1000.00 -999 ? >ASN^F 36 19.32 -21.19 17.32 17.81 -20.28 18.52 18.57 -20.73 17.92 2 0 1000.00 -999 ? >ILE^F 37 23.19 -18.11 20.69 24.59 -17.95 21.09 23.89 -18.03 20.89 3 0 1000.00 -999 ? >SER^F 38 19.44 -18.36 23.36 18.14 -20.39 23.38 18.79 -19.38 23.37 2 0 1000.00 -999 ? >VAL^F 39 19.87 -17.34 26.99 20.54 -15.47 27.86 20.20 -16.40 27.42 3 0 1000.00 -999 ? >THR^F 40 18.49 -19.94 29.41 19.67 -21.69 29.05 19.08 -20.82 29.23 2 0 1000.00 -999 ? >ASP^F 41 19.37 -19.10 33.83 20.79 -20.67 33.91 20.08 -19.89 33.87 2 0 1000.00 -999 ? >MET^F 42 22.16 -15.85 34.16 21.58 -12.57 31.72 21.87 -14.21 32.94 2 0 1000.00 -999 ? >ASP.F 43 25.12 -16.11 37.94 24.54 -18.00 38.69 24.83 -17.05 38.32 2 0 1000.00 -999 ? >VAL.F 44 25.71 -12.01 38.41 26.21 -12.05 40.53 25.96 -12.03 39.47 3 0 1000.00 -999 ? >GLU.F 45 30.31 -14.51 37.84 31.91 -14.63 39.24 31.11 -14.57 38.54 2 0 1000.00 -999 ? >THR^F 46 27.97 -15.78 34.10 28.73 -17.39 35.33 28.35 -16.59 34.71 2 0 1000.00 -999 ? >MET^F 47 25.46 -16.37 31.33 24.98 -13.82 28.06 25.22 -15.10 29.69 2 0 1000.00 -999 ? >GLY^F 48 23.80 -19.76 30.64 23.64 -19.08 30.17 23.72 -19.42 30.41 1 0 1000.00 -999 ? >LEU^F 49 24.53 -19.80 26.02 25.15 -17.73 25.77 24.84 -18.77 25.90 3 0 1000.00 -999 ? >MET^F 50 21.78 -23.03 24.69 20.80 -26.03 25.70 21.29 -24.53 25.20 2 0 1000.00 -999 ? >ILE^F 51 25.24 -22.91 21.38 26.38 -22.01 21.06 25.81 -22.46 21.22 3 0 1000.00 -999 ? >ILE^F 52 20.58 -25.14 18.37 19.31 -25.92 18.48 19.94 -25.53 18.42 3 0 1000.00 -999 ? >ILE^F 53 25.83 -25.75 15.69 27.17 -25.19 15.79 26.50 -25.47 15.74 3 0 1000.00 -999 ? >GLU^F 54 20.68 -27.69 13.11 18.69 -28.19 12.51 19.69 -27.94 12.81 2 0 1000.00 -999 ? >GLY^F 55 24.92 -28.14 9.15 24.73 -28.86 9.50 24.83 -28.50 9.33 1 0 1000.00 -999 ? >THR.F 56 26.91 -30.78 7.32 26.25 -31.23 5.33 26.58 -31.01 6.32 2 0 1000.00 -999 ? >SER.F 57 30.06 -32.50 8.64 31.19 -31.83 6.64 30.63 -32.16 7.64 2 0 1000.00 -999 ? >LEU.F 58 29.19 -29.76 12.53 27.47 -28.45 12.21 28.33 -29.11 12.37 3 0 1000.00 -999 ? >ASN~F 59 34.98 -29.35 12.33 36.85 -30.03 13.11 35.92 -29.69 12.72 2 0 1000.00 -999 ? >PHE~F 60 32.58 -31.24 18.99 32.15 -30.82 21.71 32.36 -31.03 20.35 3 0 1000.00 -999 ? >ASP~F 61 38.12 -30.32 16.96 38.30 -32.29 17.74 38.21 -31.30 17.35 2 0 1000.00 -999 ? >ASP~F 62 36.50 -26.00 14.21 38.02 -26.71 12.92 37.26 -26.35 13.57 2 0 1000.00 -999 ? >ILE~F 63 32.19 -25.99 17.28 30.88 -26.13 16.88 31.54 -26.06 17.08 3 0 1000.00 -999 ? >ARG~F 64 36.70 -29.15 22.88 35.80 -31.15 25.06 36.25 -30.15 23.97 2 0 1000.00 -999 ? >LYS~F 65 38.25 -24.52 20.05 42.17 -26.81 18.22 40.21 -25.67 19.13 2 0 1000.00 -999 ? >MET~F 66 36.36 -21.40 18.98 33.95 -19.74 16.05 35.15 -20.57 17.51 2 0 1000.00 -999 ? >LEU~F 67 33.19 -22.47 22.50 31.15 -22.66 21.77 32.17 -22.57 22.14 3 0 1000.00 -999 ? >GLU~F 68 37.81 -24.11 24.92 39.36 -25.58 24.89 38.59 -24.84 24.91 2 0 1000.00 -999 ? >GLU~F 69 40.50 -19.73 20.77 40.87 -19.90 18.69 40.69 -19.81 19.73 2 0 1000.00 -999 ? >GLU~F 70 34.88 -16.76 20.68 35.60 -14.92 19.98 35.24 -15.84 20.33 2 0 1000.00 -999 ? >GLY.F 71 35.90 -17.38 26.82 35.44 -17.83 26.33 35.67 -17.60 26.58 1 0 1000.00 -999 ? >CYH.F 72 33.15 -20.01 26.77 31.55 -18.60 25.08 32.35 -19.30 25.92 2 0 1000.00 -999 ? >ALA^F 73 32.93 -23.39 28.44 33.12 -23.46 29.94 33.03 -23.42 29.19 2 0 1000.00 -999 ? >ILE^F 74 31.15 -27.30 26.18 30.91 -27.87 24.86 31.03 -27.59 25.52 3 0 1000.00 -999 ? >HIS^F 75 27.26 -27.37 32.29 26.29 -28.31 33.90 26.78 -27.84 33.09 3 0 1000.00 -999 ? >SER^F 76 27.10 -30.20 28.44 25.00 -31.42 28.69 26.05 -30.81 28.56 2 0 1000.00 -999 ? >ILE^F 77 27.53 -32.54 24.21 28.52 -32.88 23.35 28.03 -32.71 23.78 3 0 1000.00 -999 ? >ASP^F 78 21.79 -31.03 25.50 21.98 -30.08 27.39 21.89 -30.55 26.45 2 0 1000.00 -999 ? >GLU^F 79 20.24 -33.69 20.05 18.19 -33.20 19.62 19.22 -33.44 19.83 2 0 1000.00 -999 ? >VAL^F 80 24.09 -34.63 18.77 25.89 -35.87 18.71 24.99 -35.25 18.74 3 0 1000.00 -999 ? >VAL^F 81 22.73 -35.83 15.42 20.72 -35.46 14.77 21.73 -35.64 15.10 3 0 1000.00 -999 ? >SER^F 82 24.90 -37.62 12.87 27.12 -38.56 12.60 26.01 -38.09 12.74 2 0 1000.00 -999 ? >GLY^F 83 24.50 -39.25 9.44 24.38 -38.46 9.40 24.44 -38.86 9.42 1 0 1000.00 -999 ? >ASN.F 84 22.30 -40.10 5.26 23.89 -41.46 4.92 23.09 -40.78 5.09 2 0 1000.00 -999 ? >ARG.F 85 17.06 -40.03 6.65 15.36 -41.21 8.94 16.21 -40.62 7.80 2 0 1000.00 -999 ? >ILE.F 86 18.19 -33.81 10.85 18.42 -32.49 11.67 18.31 -33.15 11.26 3 0 1000.00 -999 ? >ILE.F 87 17.35 -39.11 13.63 16.61 -40.08 12.87 16.98 -39.59 13.25 3 0 1000.00 -999 ? >GLU.F 88 13.10 -34.57 14.20 14.29 -32.80 14.27 13.69 -33.68 14.24 2 0 1000.00 -999 ? >GLY.F 89 14.32 -36.78 19.45 13.69 -36.47 18.99 14.01 -36.62 19.22 1 0 1000.00 -999 ? >GLY.G 0 27.57 -15.46 4.02 26.90 -15.21 3.57 27.24 -15.33 3.79 1 0 1000.00 -999 ? >MET.G 1 24.15 -14.33 5.36 21.42 -15.92 2.97 22.78 -15.13 4.17 2 0 1000.00 -999 ? >ALA.G 2 25.17 -13.47 8.96 25.76 -12.05 8.84 25.47 -12.76 8.90 2 0 1000.00 -999 ? >ILE^G 3 22.47 -11.27 12.37 22.79 -11.98 13.56 22.63 -11.63 12.97 3 0 1000.00 -999 ? >ARG^G 4 19.76 -14.77 7.92 18.37 -16.27 5.62 19.07 -15.52 6.77 2 0 1000.00 -999 ? >ARG^G 5 14.26 -15.41 15.56 13.11 -18.13 14.61 13.68 -16.77 15.09 2 0 1000.00 -999 ? >LEU^G 6 17.73 -9.60 16.65 19.73 -8.97 16.23 18.73 -9.28 16.44 3 0 1000.00 -999 ? >VAL^G 7 14.83 -11.31 19.79 13.52 -13.03 20.21 14.18 -12.17 20.00 3 0 1000.00 -999 ? >LEU^G 8 15.67 -7.00 21.39 17.40 -6.77 20.14 16.54 -6.89 20.76 3 0 1000.00 -999 ? >ASP^G 9 14.18 -8.38 26.77 12.83 -8.06 28.38 13.50 -8.22 27.57 2 0 1000.00 -999 ? >VAL^G 10 13.54 -3.78 25.39 13.91 -2.86 23.42 13.72 -3.32 24.41 3 0 1000.00 -999 ? >LEU^G 11 13.48 -0.69 29.05 13.43 -1.74 30.93 13.45 -1.21 29.99 3 0 1000.00 -999 ? >LYS^G 12 10.91 2.14 26.50 7.63 4.72 23.66 9.27 3.43 25.08 2 0 1000.00 -999 ? >PRO^G 13 11.37 6.39 27.55 9.86 4.76 27.83 10.61 5.57 27.69 3 0 1000.00 -999 ? >ILE.G 14 4.76 4.99 29.64 3.68 5.32 30.42 4.22 5.15 30.03 3 0 1000.00 -999 ? >ARG.G 15 4.74 11.06 27.39 2.17 11.16 29.07 3.46 11.11 28.23 2 0 1000.00 -999 ? >GLY.G 16 7.57 9.27 23.25 6.88 8.76 22.95 7.23 9.01 23.10 1 0 1000.00 -999 ? >THR.G 17 8.06 7.39 20.03 9.77 7.05 18.74 8.92 7.22 19.38 2 0 1000.00 -999 ? >SER~G 18 5.03 5.09 19.69 3.88 5.10 17.58 4.45 5.10 18.64 2 0 1000.00 -999 ? >ILE~G 19 5.50 0.22 19.93 4.80 -0.52 20.88 5.15 -0.15 20.40 3 0 1000.00 -999 ? >VAL~G 20 4.11 1.72 15.69 2.06 1.92 15.00 3.09 1.82 15.35 3 0 1000.00 -999 ? >ASP~G 21 6.63 5.83 14.98 4.89 6.94 14.52 5.76 6.39 14.75 2 0 1000.00 -999 ? >LEU~G 22 9.41 2.02 17.55 11.23 1.63 18.67 10.32 1.83 18.11 3 0 1000.00 -999 ? >ALA~G 23 8.39 -0.80 14.23 7.08 -1.56 14.40 7.73 -1.18 14.32 2 0 1000.00 -999 ? >GLU~G 24 7.41 2.83 9.22 5.88 4.08 8.50 6.65 3.46 8.86 2 0 1000.00 -999 ? >ARG~G 25 11.21 6.07 13.22 9.54 8.34 14.40 10.37 7.20 13.81 2 0 1000.00 -999 ? >ILE~G 26 13.03 -1.51 13.33 13.41 -2.16 14.52 13.22 -1.83 13.93 3 0 1000.00 -999 ? >SER~G 27 11.53 -2.29 9.18 9.39 -1.29 8.56 10.46 -1.79 8.87 2 0 1000.00 -999 ? >LYS~G 28 13.15 0.22 6.79 8.65 3.14 5.61 10.90 1.68 6.20 2 0 1000.00 -999 ? >LEU.G 29 17.24 -1.27 9.07 17.85 0.05 10.70 17.54 -0.61 9.88 3 0 1000.00 -999 ? >ASP.G 30 20.22 -2.32 4.68 20.27 -0.65 3.37 20.24 -1.48 4.02 2 0 1000.00 -999 ? >GLY.G 31 18.30 -6.45 5.30 17.70 -5.97 5.53 18.00 -6.21 5.42 1 0 1000.00 -999 ? >VAL^G 32 15.26 -6.29 7.59 14.75 -5.16 9.35 15.01 -5.73 8.47 3 0 1000.00 -999 ? >GLU^G 33 13.75 -9.89 4.84 14.07 -11.87 4.25 13.91 -10.88 4.55 2 0 1000.00 -999 ? >GLY^G 34 10.01 -8.09 9.24 10.77 -7.97 9.53 10.39 -8.03 9.38 1 0 1000.00 -999 ? >VAL^G 35 9.61 -6.65 12.72 10.61 -4.81 13.22 10.11 -5.73 12.97 3 0 1000.00 -999 ? >ASN^G 36 6.87 -9.23 15.61 5.14 -9.59 16.82 6.00 -9.41 16.22 2 0 1000.00 -999 ? >ILE^G 37 7.10 -3.99 18.49 7.93 -2.80 18.83 7.51 -3.40 18.66 3 0 1000.00 -999 ? >SER^G 38 4.65 -6.64 21.36 5.26 -8.98 21.60 4.96 -7.81 21.48 2 0 1000.00 -999 ? >VAL^G 39 4.09 -5.27 24.84 3.12 -3.44 25.52 3.61 -4.36 25.18 3 0 1000.00 -999 ? >THR^G 40 5.00 -7.78 27.57 7.11 -8.14 27.29 6.05 -7.96 27.43 2 0 1000.00 -999 ? >ASP^G 41 4.82 -6.13 31.84 6.94 -6.16 31.99 5.88 -6.14 31.91 2 0 1000.00 -999 ? >MET^G 42 4.28 -1.85 31.72 1.68 -0.40 28.87 2.98 -1.12 30.29 2 0 1000.00 -999 ? >ASP.G 43 6.37 0.51 35.37 7.35 -1.12 36.29 6.86 -0.30 35.83 2 0 1000.00 -999 ? >VAL.G 44 3.73 3.75 35.39 3.99 4.27 37.49 3.86 4.01 36.44 3 0 1000.00 -999 ? >GLU.G 45 8.70 5.39 34.85 9.81 6.60 36.20 9.26 6.00 35.52 2 0 1000.00 -999 ? >THR^G 46 8.17 2.46 31.34 9.84 2.07 32.67 9.01 2.27 32.01 2 0 1000.00 -999 ? >MET^G 47 7.02 -0.07 28.76 5.03 0.93 25.24 6.03 0.43 27.00 2 0 1000.00 -999 ? >GLY^G 48 8.40 -3.64 28.49 7.81 -3.34 27.96 8.11 -3.49 28.23 1 0 1000.00 -999 ? >LEU^G 49 9.07 -3.60 23.85 7.97 -1.79 23.40 8.52 -2.69 23.63 3 0 1000.00 -999 ? >MET^G 50 9.69 -7.91 23.00 11.36 -10.82 23.96 10.53 -9.36 23.48 2 0 1000.00 -999 ? >ILE^G 51 11.99 -5.64 19.48 12.11 -4.22 19.03 12.05 -4.93 19.26 3 0 1000.00 -999 ? >ILE^G 52 10.59 -10.86 16.94 10.30 -12.33 17.17 10.45 -11.59 17.06 3 0 1000.00 -999 ? >ILE^G 53 14.65 -7.66 14.07 15.12 -6.27 14.07 14.88 -6.96 14.07 3 0 1000.00 -999 ? >GLU^G 54 12.68 -12.98 11.95 11.77 -14.84 11.49 12.23 -13.91 11.72 2 0 1000.00 -999 ? >GLY^G 55 16.00 -10.60 7.80 16.37 -11.19 8.21 16.19 -10.89 8.01 1 0 1000.00 -999 ? >THR.G 56 19.35 -11.09 6.13 19.30 -12.07 4.22 19.33 -11.58 5.17 2 0 1000.00 -999 ? >SER.G 57 22.69 -9.77 7.41 23.06 -8.74 5.27 22.88 -9.26 6.34 2 0 1000.00 -999 ? >LEU.G 58 19.97 -8.19 11.08 17.85 -8.63 10.75 18.91 -8.41 10.91 3 0 1000.00 -999 ? >ASN~G 59 23.57 -3.67 10.53 25.25 -2.65 11.26 24.41 -3.16 10.89 2 0 1000.00 -999 ? >PHE~G 60 23.17 -6.02 17.46 22.48 -5.80 20.15 22.82 -5.91 18.81 3 0 1000.00 -999 ? >ASP~G 61 26.29 -1.54 15.06 27.82 -2.65 16.03 27.06 -2.10 15.54 2 0 1000.00 -999 ? >ASP~G 62 22.07 -0.10 12.02 23.64 0.47 10.72 22.85 0.18 11.37 2 0 1000.00 -999 ? >ILE~G 63 19.06 -2.95 15.31 18.30 -4.06 15.02 18.68 -3.50 15.16 3 0 1000.00 -999 ? >ARG~G 64 24.11 -1.12 20.84 24.96 -2.89 23.24 24.53 -2.01 22.04 2 0 1000.00 -999 ? >LYS~G 65 21.72 2.79 17.54 26.08 4.01 15.67 23.90 3.40 16.60 2 0 1000.00 -999 ? >MET~G 66 18.16 3.31 16.32 15.51 2.26 13.37 16.83 2.79 14.85 2 0 1000.00 -999 ? >LEU~G 67 16.79 0.60 20.12 15.59 -1.13 19.57 16.19 -0.27 19.84 3 0 1000.00 -999 ? >GLU~G 68 20.99 3.24 22.36 23.10 3.42 22.25 22.04 3.33 22.31 2 0 1000.00 -999 ? >GLU~G 69 19.59 7.71 17.72 20.01 7.71 15.65 19.80 7.71 16.69 2 0 1000.00 -999 ? >GLU~G 70 13.65 5.48 17.71 12.86 7.25 16.84 13.25 6.36 17.27 2 0 1000.00 -999 ? >GLY.G 71 14.64 6.40 23.80 14.68 5.72 23.38 14.66 6.06 23.59 1 0 1000.00 -999 ? >CYH.G 72 14.78 2.61 24.14 12.76 2.06 22.24 13.77 2.34 23.19 2 0 1000.00 -999 ? >ALA^G 73 17.14 0.41 26.12 17.30 0.67 27.61 17.22 0.54 26.87 2 0 1000.00 -999 ? >ILE^G 74 18.96 -3.74 24.31 19.28 -4.42 23.08 19.12 -4.08 23.70 3 0 1000.00 -999 ? >HIS^G 75 16.29 -6.08 30.61 16.31 -7.26 32.34 16.30 -6.67 31.48 3 0 1000.00 -999 ? >SER^G 76 18.38 -8.42 27.03 17.93 -10.75 27.55 18.15 -9.59 27.29 2 0 1000.00 -999 ? >ILE^G 77 20.55 -10.08 23.00 21.49 -9.65 22.14 21.02 -9.87 22.57 3 0 1000.00 -999 ? >ASP^G 78 15.57 -13.24 24.51 14.94 -12.25 26.27 15.25 -12.75 25.39 2 0 1000.00 -999 ? >GLU^G 79 16.68 -16.70 19.40 14.97 -17.95 19.06 15.83 -17.32 19.23 2 0 1000.00 -999 ? >VAL^G 80 19.96 -14.60 17.97 22.07 -14.04 17.88 21.02 -14.32 17.92 3 0 1000.00 -999 ? >VAL^G 81 20.02 -16.72 14.81 18.40 -18.01 14.24 19.21 -17.36 14.53 3 0 1000.00 -999 ? >SER^G 82 22.85 -16.53 12.30 25.05 -15.56 11.99 23.95 -16.05 12.14 2 0 1000.00 -999 ? >GLY.G 83 23.87 -18.25 9.07 23.20 -17.84 8.96 23.54 -18.05 9.01 1 0 1000.00 -999 ? >ASN.G 84 23.16 -20.87 5.09 25.24 -20.58 4.73 24.20 -20.73 4.91 2 0 1000.00 -999 ? >ARG.G 85 19.15 -24.44 6.60 19.16 -26.77 8.65 19.15 -25.61 7.63 2 0 1000.00 -999 ? >ILE.G 86 15.44 -19.45 10.28 15.20 -18.17 11.14 15.32 -18.81 10.71 3 0 1000.00 -999 ? >ILE.G 87 18.45 -22.98 13.94 18.71 -24.36 13.52 18.58 -23.67 13.73 3 0 1000.00 -999 ? >GLU.G 88 12.28 -23.04 14.40 12.36 -21.00 13.75 12.32 -22.02 14.08 2 0 1000.00 -999 ? >GLY.G 89 14.88 -22.83 19.65 14.31 -23.25 19.21 14.59 -23.04 19.43 1 0 1000.00 -999 ? >GLY.H 0 8.66 -0.92 1.32 8.00 -1.20 0.87 8.33 -1.06 1.09 1 0 1000.00 -999 ? >MET.H 1 5.38 -2.21 2.88 4.28 -3.89 0.17 4.83 -3.05 1.53 2 0 1000.00 -999 ? >ALA.H 2 5.52 -0.62 6.37 4.88 0.76 6.09 5.20 0.07 6.23 2 0 1000.00 -999 ? >ILE^H 3 2.06 -0.53 9.81 2.67 -0.68 11.09 2.36 -0.60 10.45 3 0 1000.00 -999 ? >ARG^H 4 2.61 -5.25 5.76 2.67 -7.40 3.55 2.64 -6.33 4.66 2 0 1000.00 -999 ? >ARG^H 5 -1.04 -9.20 13.53 0.03 -11.98 12.71 -0.51 -10.59 13.12 2 0 1000.00 -999 ? >LEU^H 6 -2.62 -2.57 14.30 -1.58 -0.73 13.82 -2.10 -1.65 14.06 3 0 1000.00 -999 ? >VAL^H 7 -3.55 -5.67 17.56 -3.32 -7.77 18.05 -3.43 -6.72 17.80 3 0 1000.00 -999 ? >LEU^H 8 -5.99 -1.94 18.96 -4.87 -0.63 17.68 -5.43 -1.28 18.32 3 0 1000.00 -999 ? >ASP^H 9 -6.17 -3.72 24.42 -7.36 -4.35 26.04 -6.76 -4.04 25.23 2 0 1000.00 -999 ? >VAL^H 10 -9.81 -0.94 22.87 -10.17 -0.11 20.87 -9.99 -0.52 21.87 3 0 1000.00 -999 ? >LEU^H 11 -12.07 1.40 26.38 -11.42 0.71 28.33 -11.75 1.06 27.35 3 0 1000.00 -999 ? >LYS^H 12 -15.85 1.50 23.77 -19.98 0.95 20.86 -17.91 1.23 22.32 2 0 1000.00 -999 ? >PRO^H 13 -18.48 4.93 24.65 -18.45 2.72 24.99 -18.46 3.83 24.82 3 0 1000.00 -999 ? >ILE.H 14 -22.27 -0.57 26.91 -23.29 -1.05 27.67 -22.78 -0.81 27.29 3 0 1000.00 -999 ? >ARG.H 15 -26.48 3.68 24.39 -28.43 2.02 26.10 -27.46 2.85 25.25 2 0 1000.00 -999 ? >GLY.H 16 -23.14 4.18 20.29 -23.27 3.33 20.03 -23.21 3.75 20.16 1 0 1000.00 -999 ? >THR.H 17 -21.44 3.03 17.14 -19.96 3.95 15.85 -20.70 3.49 16.49 2 0 1000.00 -999 ? >SER~H 18 -22.01 -0.74 16.95 -22.82 -1.63 14.86 -22.41 -1.19 15.90 2 0 1000.00 -999 ? >ILE~H 19 -18.29 -3.90 17.39 -18.29 -4.89 18.34 -18.29 -4.40 17.86 3 0 1000.00 -999 ? >VAL~H 20 -20.24 -3.94 13.10 -21.84 -5.25 12.44 -21.04 -4.59 12.77 3 0 1000.00 -999 ? >ASP~H 21 -21.29 0.74 12.19 -23.31 0.36 11.65 -22.30 0.55 11.92 2 0 1000.00 -999 ? >LEU~H 22 -16.68 0.03 14.85 -15.17 1.08 15.96 -15.92 0.55 15.40 3 0 1000.00 -999 ? >ALA~H 23 -15.39 -2.83 11.66 -15.84 -4.27 11.86 -15.61 -3.55 11.76 2 0 1000.00 -999 ? >GLU~H 24 -18.55 -1.14 6.53 -20.54 -1.31 5.82 -19.54 -1.22 6.18 2 0 1000.00 -999 ? >ARG~H 25 -17.20 4.71 10.40 -19.68 6.53 10.80 -18.44 5.62 10.60 2 0 1000.00 -999 ? >ILE~H 26 -11.54 -0.17 10.69 -10.84 -0.35 11.91 -11.19 -0.26 11.30 3 0 1000.00 -999 ? >SER~H 27 -12.02 -1.97 6.63 -14.29 -2.75 6.10 -13.16 -2.36 6.36 2 0 1000.00 -999 ? >LYS~H 28 -12.57 0.85 4.09 -17.79 -0.22 2.92 -15.18 0.31 3.50 2 0 1000.00 -999 ? >LEU.H 29 -8.64 2.74 6.37 -9.11 4.15 7.93 -8.87 3.44 7.15 3 0 1000.00 -999 ? >ASP.H 30 -5.71 3.86 1.98 -6.79 5.03 0.57 -6.25 4.45 1.28 2 0 1000.00 -999 ? >GLY.H 31 -4.22 -0.43 2.80 -4.99 -0.49 3.03 -4.61 -0.46 2.91 1 0 1000.00 -999 ? >VAL^H 32 -6.53 -2.32 5.14 -7.74 -1.75 6.85 -7.14 -2.04 6.00 3 0 1000.00 -999 ? >GLU^H 33 -5.09 -6.07 2.58 -3.48 -7.27 2.04 -4.29 -6.67 2.31 2 0 1000.00 -999 ? >GLY^H 34 -9.08 -7.15 6.98 -8.63 -6.52 7.24 -8.85 -6.83 7.11 1 0 1000.00 -999 ? >VAL^H 35 -10.43 -6.27 10.41 -10.96 -4.24 10.80 -10.69 -5.26 10.60 3 0 1000.00 -999 ? >ASN^H 36 -10.67 -9.90 13.44 -11.64 -11.29 14.71 -11.15 -10.60 14.08 2 0 1000.00 -999 ? >ILE^H 37 -14.15 -5.84 16.11 -14.40 -4.42 16.35 -14.27 -5.13 16.23 3 0 1000.00 -999 ? >SER^H 38 -14.14 -9.34 19.11 -12.10 -10.57 19.43 -13.12 -9.96 19.27 2 0 1000.00 -999 ? >VAL^H 39 -15.56 -8.60 22.55 -17.54 -7.94 23.16 -16.55 -8.27 22.86 3 0 1000.00 -999 ? >THR^H 40 -13.21 -9.65 25.35 -11.43 -8.46 25.08 -12.32 -9.05 25.22 2 0 1000.00 -999 ? >ASP^H 41 -14.56 -8.40 29.56 -13.01 -6.96 29.66 -13.79 -7.68 29.61 2 0 1000.00 -999 ? >MET^H 42 -17.92 -5.72 29.27 -20.83 -6.67 26.48 -19.37 -6.20 27.88 2 0 1000.00 -999 ? >ASP.H 43 -18.10 -2.41 32.75 -16.27 -2.89 33.68 -17.18 -2.65 33.21 2 0 1000.00 -999 ? >VAL.H 44 -22.24 -1.92 32.72 -22.39 -1.28 34.80 -22.31 -1.60 33.76 3 0 1000.00 -999 ? >GLU.H 45 -19.83 2.70 32.00 -19.90 4.39 33.30 -19.87 3.55 32.65 2 0 1000.00 -999 ? >THR^H 46 -18.11 0.08 28.64 -16.66 1.00 29.97 -17.38 0.54 29.31 2 0 1000.00 -999 ? >MET^H 47 -17.15 -2.67 26.20 -19.23 -3.52 22.72 -18.19 -3.09 24.46 2 0 1000.00 -999 ? >GLY^H 48 -13.66 -4.27 26.04 -14.29 -4.49 25.52 -13.98 -4.38 25.78 1 0 1000.00 -999 ? >LEU^H 49 -13.12 -3.98 21.39 -15.18 -3.48 20.88 -14.15 -3.73 21.13 3 0 1000.00 -999 ? >MET^H 50 -9.67 -6.69 20.70 -6.62 -7.47 21.90 -8.14 -7.08 21.30 2 0 1000.00 -999 ? >ILE^H 51 -9.53 -3.59 17.08 -10.43 -2.51 16.57 -9.98 -3.05 16.82 3 0 1000.00 -999 ? >ILE^H 52 -6.88 -8.44 14.76 -6.07 -9.66 15.09 -6.47 -9.05 14.93 3 0 1000.00 -999 ? >ILE^H 53 -6.13 -3.42 11.67 -6.75 -2.10 11.61 -6.44 -2.76 11.64 3 0 1000.00 -999 ? >GLU^H 54 -3.79 -8.72 9.84 -3.20 -10.71 9.50 -3.50 -9.71 9.67 2 0 1000.00 -999 ? >GLY^H 55 -3.01 -4.89 5.53 -2.33 -5.03 5.98 -2.67 -4.96 5.76 1 0 1000.00 -999 ? >THR.H 56 -0.22 -2.98 3.82 0.45 -3.78 1.96 0.12 -3.38 2.89 2 0 1000.00 -999 ? >SER.H 57 1.21 0.35 4.98 0.78 1.24 2.79 0.99 0.79 3.89 2 0 1000.00 -999 ? >LEU.H 58 -1.91 -0.25 8.62 -3.11 -2.06 8.34 -2.51 -1.16 8.48 3 0 1000.00 -999 ? >ASN~H 59 -2.47 5.48 7.84 -2.01 7.44 8.54 -2.24 6.46 8.19 2 0 1000.00 -999 ? >PHE~H 60 -1.24 3.81 14.87 -1.94 3.62 17.53 -1.59 3.71 16.20 3 0 1000.00 -999 ? >ASP~H 61 -2.07 9.06 12.22 -0.20 9.34 13.18 -1.13 9.20 12.70 2 0 1000.00 -999 ? >ASP~H 62 -6.05 7.05 9.21 -5.32 8.48 7.86 -5.68 7.76 8.53 2 0 1000.00 -999 ? >ILE~H 63 -6.30 3.06 12.66 -6.09 1.72 12.45 -6.20 2.39 12.55 3 0 1000.00 -999 ? >ARG~H 64 -4.01 8.21 18.09 -2.18 7.67 20.53 -3.09 7.94 19.31 2 0 1000.00 -999 ? >LYS~H 65 -8.47 9.17 14.75 -6.28 13.02 12.74 -7.37 11.10 13.74 2 0 1000.00 -999 ? >MET~H 66 -11.38 7.01 13.63 -12.56 4.26 10.77 -11.97 5.63 12.20 2 0 1000.00 -999 ? >LEU~H 67 -10.47 4.30 17.56 -10.13 2.20 17.12 -10.30 3.25 17.34 3 0 1000.00 -999 ? >GLU~H 68 -9.29 9.23 19.60 -7.90 10.83 19.53 -8.59 10.03 19.56 2 0 1000.00 -999 ? >GLU~H 69 -13.41 11.22 14.84 -13.06 11.40 12.77 -13.24 11.31 13.81 2 0 1000.00 -999 ? >GLU~H 70 -16.10 5.49 15.10 -17.88 6.19 14.20 -16.99 5.84 14.65 2 0 1000.00 -999 ? >GLY.H 71 -16.06 7.13 21.12 -15.54 6.66 20.72 -15.80 6.89 20.92 1 0 1000.00 -999 ? >CYH.H 72 -13.30 4.55 21.60 -14.43 2.69 19.95 -13.86 3.62 20.77 2 0 1000.00 -999 ? >ALA^H 73 -10.07 4.68 23.55 -10.15 5.03 25.03 -10.11 4.85 24.29 2 0 1000.00 -999 ? >ILE^H 74 -5.89 2.91 21.82 -5.19 2.58 20.59 -5.54 2.75 21.21 3 0 1000.00 -999 ? >HIS^H 75 -6.19 -0.33 28.28 -5.33 -1.07 30.04 -5.76 -0.70 29.16 3 0 1000.00 -999 ? >SER^H 76 -3.01 -0.72 24.72 -1.72 -2.66 25.27 -2.36 -1.69 24.99 2 0 1000.00 -999 ? >ILE^H 77 -0.29 -0.56 20.68 0.09 0.36 19.78 -0.10 -0.10 20.23 3 0 1000.00 -999 ? >ASP^H 78 -1.66 -6.23 22.43 -2.80 -5.86 24.18 -2.23 -6.04 23.31 2 0 1000.00 -999 ? >GLU^H 79 1.59 -8.14 17.42 1.27 -10.23 17.15 1.43 -9.18 17.29 2 0 1000.00 -999 ? >VAL^H 80 2.45 -4.40 15.83 3.57 -2.53 15.68 3.01 -3.47 15.75 3 0 1000.00 -999 ? >VAL^H 81 3.99 -6.03 12.76 3.76 -8.11 12.29 3.88 -7.07 12.53 3 0 1000.00 -999 ? >SER^H 82 5.91 -4.06 10.15 6.76 -1.81 9.74 6.33 -2.93 9.94 2 0 1000.00 -999 ? >GLY.H 83 7.86 -4.72 6.95 7.09 -4.90 6.85 7.47 -4.81 6.90 1 0 1000.00 -999 ? >ASN.H 84 9.19 -7.25 3.11 10.50 -5.61 2.73 9.85 -6.43 2.92 2 0 1000.00 -999 ? >ARG.H 85 8.96 -12.87 4.91 11.27 -13.55 6.83 10.11 -13.21 5.87 2 0 1000.00 -999 ? >ILE.H 86 3.16 -11.58 8.64 2.28 -10.62 9.25 2.72 -11.10 8.95 3 0 1000.00 -999 ? >ILE.H 87 7.89 -11.39 12.18 8.94 -12.24 11.79 8.41 -11.81 11.98 3 0 1000.00 -999 ? >GLU.H 88 3.01 -15.44 13.10 1.26 -14.16 13.19 2.13 -14.80 13.15 2 0 1000.00 -999 ? >GLY.H 89 5.32 -13.23 18.02 5.20 -13.98 17.68 5.26 -13.61 17.85 1 0 1000.00 -999 ? >LYS.H 90 6.60 -15.69 20.59 12.07 -18.32 22.50 9.34 -17.00 21.54 2 0 1000.00 -999 ?