REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-NOV-06 2O30 COMPND NUCLEAR MOVEMENT PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENCEPHALITOZOON CUNICULI; SOURCE 3 ORGANISM_TAXID: 284813; SOURCE 4 STRAIN: GB-M1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR T.A.BINKOWSKI,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.EDWARDS, AUTHOR 2 A.JOACHIMIAK,MCSG,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 35 8 HET MSE B 35 8 HET DTT B2694 8 HET DTT A2694 8 SITE 1 AC1 8 HOH A2793 HOH A2796 ARG B 34 CYS B 41 SITE 1 AC2 7 ARG A 34 CYS A 41 ASP A 51 HOH A2739 >ALA.A 5 7.39 2.41 29.94 8.55 1.60 29.41 7.97 2.01 29.68 2 0 16.87 -999 ? S1 DTT A2694 >LYS.A 6 7.61 3.57 33.57 1.92 5.61 35.33 4.77 4.59 34.45 2 0 9.68 -999 ? S1 DTT A2694 >TYR.A 7 8.63 -0.76 35.62 6.71 -2.68 34.94 7.67 -1.72 35.28 3 0 12.05 -999 ? S1 DTT A2694 >THR^A 8 12.44 -1.84 33.54 14.07 -0.84 32.51 13.26 -1.34 33.03 2 0 18.28 -999 ? S1 DTT A2694 >TRP^A 9 10.49 -6.22 33.78 11.07 -10.11 34.25 10.78 -8.17 34.02 3 0 17.65 -999 ? S1 DTT A2694 >ASP^A 10 17.12 -7.54 34.79 18.12 -6.64 36.41 17.62 -7.09 35.60 2 0 21.27 -999 ? S1 DTT A2694 >GLN^A 11 15.19 -12.91 35.49 13.42 -14.03 35.15 14.31 -13.47 35.32 2 0 22.44 -999 ? S1 DTT A2694 >GLU^A 12 20.33 -11.96 39.75 22.13 -11.84 38.68 21.23 -11.90 39.21 2 0 26.41 -999 ? S1 DTT A2694 >LEU.A 13 18.60 -18.44 39.25 17.80 -20.44 38.86 18.20 -19.44 39.05 3 0 28.28 -999 ? S1 DTT A2694 >ASN.A 14 17.89 -16.64 43.85 19.65 -15.42 44.06 18.77 -16.03 43.96 2 0 26.00 -999 ? S1 DTT A2694 >GLU^A 15 18.24 -12.11 44.12 20.02 -11.02 44.51 19.13 -11.56 44.31 2 0 23.66 -999 ? S1 DTT A2694 >ILE^A 16 12.57 -9.74 41.01 11.92 -9.86 39.61 12.25 -9.80 40.31 3 0 17.14 -999 ? S1 DTT A2694 >ASN^A 17 16.94 -6.13 39.53 18.33 -7.26 40.68 17.63 -6.70 40.11 2 0 20.60 -999 ? S1 DTT A2694 >ILE^A 18 12.00 -3.10 39.72 10.62 -3.26 39.88 11.31 -3.18 39.80 3 0 12.95 -999 ? S1 DTT A2694 >GLN^A 19 16.91 -1.07 37.19 16.40 -2.98 36.30 16.66 -2.03 36.74 2 0 18.64 -999 ? S1 DTT A2694 >PHE^A 20 11.46 3.61 39.32 11.22 3.90 42.10 11.34 3.75 40.71 3 0 11.92 -999 ? S1 DTT A2694 >PRO^A 21 12.60 7.32 35.15 13.78 6.46 36.86 13.19 6.89 36.00 3 0 16.21 -999 ? S1 DTT A2694 >VAL.A 22 14.06 9.56 39.88 15.40 9.82 41.58 14.73 9.69 40.73 3 0 17.01 -999 ? S1 DTT A2694 >THR.A 23 11.59 12.49 39.45 12.88 13.91 40.54 12.24 13.20 40.00 2 0 18.03 -999 ? S1 DTT A2694 >ASP.A 27 14.62 15.18 48.60 16.54 14.36 48.27 15.58 14.77 48.44 2 0 21.09 -999 ? S4 DTT A2694 >SER.A 28 12.81 12.73 50.46 13.06 13.12 52.86 12.94 12.92 51.66 2 0 17.86 -999 ? S4 DTT A2694 >SER.A 29 9.42 11.03 50.74 8.19 13.00 51.40 8.80 12.01 51.07 2 0 13.80 -999 ? S4 DTT A2694 >ALA.A 30 9.12 11.04 46.95 10.12 11.71 46.01 9.62 11.37 46.48 2 0 14.33 -999 ? S1 DTT A2694 >ILE^A 31 11.23 6.75 46.40 12.28 6.41 45.71 11.76 6.58 46.06 3 0 12.83 -999 ? S1 DTT A2694 >LYS^A 32 7.11 5.07 48.08 5.51 9.02 50.85 6.31 7.04 49.46 2 0 9.11 -999 ? S4 DTT A2694 >ILE^A 33 8.90 0.78 47.47 9.96 0.40 46.58 9.43 0.59 47.03 3 0 9.90 -999 ? S1 DTT A2694 >ARG^A 34 1.72 -1.22 51.26 -0.08 0.65 49.57 0.82 -0.28 50.41 2 0 -3.04 -999 ? S4 DTT A2694s >MET?A 35 4.95 -5.10 48.86 7.99 -6.74 46.52 6.47 -5.92 47.69 2 0 11.84 -999 ? S1 DTT A2694 >VAL^A 36 2.36 -7.24 50.68 0.92 -6.35 52.09 1.64 -6.79 51.38 3 0 10.19 -999 ? O3 DTT A2694 >GLY.A 37 2.29 -10.86 49.57 2.70 -10.14 49.28 2.49 -10.50 49.43 1 0 13.46 -999 ? O3 DTT A2694 >LYS.A 38 2.68 -10.60 45.78 1.30 -14.56 41.88 1.99 -12.58 43.83 2 0 16.43 -999 ? S1 DTT A2694 >LYS^A 39 1.03 -7.16 45.59 -3.71 -8.77 43.58 -1.34 -7.96 44.59 2 0 10.48 -999 ? C1 DTT A2694 >ILE^A 40 4.61 -4.88 43.76 5.48 -4.75 42.59 5.05 -4.81 43.18 3 0 8.23 -999 ? S1 DTT A2694 >CYH^A 41 2.95 -0.64 44.73 1.59 1.63 45.50 2.27 0.50 45.12 2 0 -2.14 -999 ? S1 DTT A2694s >VAL^A 42 5.73 1.75 43.67 7.68 1.04 42.95 6.71 1.40 43.31 3 0 6.68 -999 ? S1 DTT A2694 >LYS^A 43 5.08 5.49 43.48 -0.13 6.76 46.22 2.47 6.12 44.85 2 0 3.76 -999 ? C4 DTT A2694 >ASN^A 44 8.30 8.07 41.42 9.94 9.43 41.26 9.12 8.75 41.34 2 0 12.83 -999 ? S1 DTT A2694 >GLN.A 45 8.29 13.26 43.05 8.68 15.26 42.42 8.48 14.26 42.74 2 0 15.82 -999 ? O2 DTT A2694 >GLY.A 46 2.68 10.51 43.80 3.19 10.26 43.25 2.93 10.39 43.53 1 0 8.20 -999 ? O2 DTT A2694 >GLU^A 47 3.60 9.02 37.74 5.12 9.63 36.37 4.36 9.33 37.06 2 0 12.11 -999 ? S1 DTT A2694 >ILE^A 48 1.00 4.57 39.84 -0.05 3.71 40.26 0.47 4.14 40.05 3 0 4.66 -999 ? S1 DTT A2694 >VAL^A 49 5.37 3.49 38.66 7.53 3.77 39.10 6.45 3.63 38.88 3 0 8.40 -999 ? S1 DTT A2694 >ILE^A 50 4.97 -1.14 39.67 5.76 -2.31 39.38 5.37 -1.72 39.52 3 0 7.72 -999 ? S1 DTT A2694 >ASP^A 51 -0.43 -0.08 40.65 -2.11 -0.45 41.90 -1.27 -0.27 41.28 2 0 -3.11 -999 ? C1 DTT A2694s >GLY^A 52 0.16 -4.88 40.30 0.54 -4.80 41.01 0.35 -4.84 40.66 1 0 7.54 -999 ? S1 DTT A2694 >GLU^A 53 -0.16 -10.56 42.23 -2.02 -11.44 42.72 -1.09 -11.00 42.47 2 0 13.04 -999 ? C1 DTT A2694 >LEU.A 54 5.34 -10.21 42.01 6.90 -8.71 42.26 6.12 -9.46 42.14 3 0 12.82 -999 ? S1 DTT A2694 >LEU.A 55 5.11 -13.55 37.65 4.50 -14.89 36.05 4.80 -14.22 36.85 3 0 18.07 -999 ? S1 DTT A2694 >HIS.A 56 6.33 -17.13 40.03 5.82 -18.17 38.28 6.07 -17.65 39.16 3 0 20.82 -999 ? S1 DTT A2694 >GLU.A 57 4.23 -16.37 46.60 3.53 -17.76 48.04 3.88 -17.06 47.32 2 0 20.17 -999 ? S1 DTT A2694 >VAL^A 58 9.03 -13.17 46.88 8.84 -11.33 45.71 8.94 -12.25 46.29 3 0 16.68 -999 ? S1 DTT A2694 >ASP^A 59 11.97 -13.29 50.71 12.44 -12.93 52.74 12.21 -13.11 51.72 2 0 21.06 -999 ? S1 DTT A2694 >VAL^A 60 9.01 -9.40 51.12 7.00 -8.52 51.03 8.00 -8.96 51.07 3 0 15.05 -999 ? S1 DTT A2694 >SER^A 61 11.45 -8.90 54.04 12.45 -10.97 54.90 11.95 -9.93 54.47 2 0 20.74 -999 ? S4 DTT A2694 >SER^A 62 14.38 -8.98 51.58 13.91 -10.23 49.55 14.15 -9.61 50.56 2 0 19.10 -999 ? S1 DTT A2694 >LEU^A 63 11.61 -5.42 49.76 10.60 -4.15 48.34 11.11 -4.79 49.05 3 0 13.76 -999 ? S1 DTT A2694 >TRP^A 64 19.26 -2.54 48.97 18.87 -0.39 52.25 19.06 -1.47 50.61 3 0 20.36 -999 ? S1 DTT A2694 >TRP^A 65 13.36 0.85 48.82 14.09 4.72 48.55 13.73 2.79 48.68 3 0 14.48 -999 ? S1 DTT A2694 >VAL^A 66 18.75 2.58 46.66 20.58 1.36 46.95 19.67 1.97 46.80 3 0 19.80 -999 ? S1 DTT A2694 >ILE^A 67 18.76 7.00 44.71 17.88 8.11 44.65 18.32 7.56 44.68 3 0 19.18 -999 ? S1 DTT A2694 >ASN^A 68 22.57 4.02 41.29 23.05 2.58 42.78 22.81 3.30 42.04 2 0 23.03 -999 ? S1 DTT A2694 >GLY.A 69 22.44 8.77 40.22 21.81 8.35 40.57 22.12 8.56 40.39 1 0 23.76 -999 ? S1 DTT A2694 >ASP.A 70 19.00 10.10 37.07 17.00 10.77 36.68 18.00 10.43 36.88 2 0 20.55 -999 ? S1 DTT A2694 >VAL^A 71 17.97 5.74 38.77 18.29 4.43 37.04 18.13 5.08 37.91 3 0 19.35 -999 ? S1 DTT A2694 >VAL^A 72 16.26 3.86 41.60 14.58 4.46 42.89 15.42 4.16 42.25 3 0 15.64 -999 ? S1 DTT A2694 >ASP^A 73 18.79 -0.13 41.77 19.67 0.48 39.94 19.23 0.17 40.85 2 0 20.05 -999 ? S1 DTT A2694 >VAL^A 74 14.90 -2.14 43.71 12.81 -1.53 43.99 13.86 -1.84 43.85 3 0 14.23 -999 ? S1 DTT A2694 >ASN^A 75 17.34 -5.84 44.92 18.02 -7.83 45.10 17.68 -6.84 45.01 2 0 20.35 -999 ? S1 DTT A2694 >VAL^A 76 13.82 -8.56 46.17 11.59 -8.88 46.14 12.71 -8.72 46.16 3 0 16.52 -999 ? S1 DTT A2694 >THR^A 77 14.65 -12.26 46.59 16.14 -13.17 47.89 15.40 -12.71 47.24 2 0 22.23 -999 ? S1 DTT A2694 >LYS^A 78 12.44 -14.90 44.91 13.98 -15.37 38.77 13.21 -15.14 41.84 2 0 22.63 -999 ? S1 DTT A2694 >LYS.A 79 10.88 -17.58 47.14 5.77 -16.40 50.80 8.32 -16.99 48.97 2 0 20.06 -999 ? O3 DTT A2694 >ARG.A 80 9.33 -23.01 42.96 9.67 -25.93 43.92 9.50 -24.47 43.44 2 0 29.24 -999 ? S1 DTT A2694 >ASN.A 81 16.04 -20.98 42.63 17.03 -20.02 44.25 16.53 -20.50 43.44 2 0 27.55 -999 ? S1 DTT A2694 >GLU.A 82 10.60 -19.88 39.25 8.77 -20.78 39.84 9.68 -20.33 39.55 2 0 24.45 -999 ? S1 DTT A2694 >TRP.A 83 15.51 -19.93 33.92 18.20 -17.45 35.33 16.86 -18.69 34.63 3 0 28.02 -999 ? S1 DTT A2694 >TRP.A 84 10.29 -15.78 38.52 8.64 -12.83 40.57 9.46 -14.31 39.54 3 0 19.08 -999 ? S1 DTT A2694 >ASP.A 85 7.23 -15.90 31.48 7.66 -17.89 30.88 7.45 -16.90 31.18 2 0 24.76 -999 ? S1 DTT A2694 >SER.A 86 7.15 -11.71 33.10 4.77 -12.13 33.44 5.96 -11.92 33.27 2 0 18.01 -999 ? S1 DTT A2694 >LEU.A 87 7.83 -7.95 36.11 8.65 -6.82 37.77 8.24 -7.39 36.94 3 0 14.10 -999 ? S1 DTT A2694 >LEU.A 88 3.14 -7.80 36.54 3.70 -6.00 37.61 3.42 -6.90 37.08 3 0 11.53 -999 ? S1 DTT A2694 >VAL.A 89 0.66 -11.49 36.56 -0.88 -12.25 37.93 -0.11 -11.87 37.24 3 0 15.15 -999 ? S1 DTT A2694 >ALA.B 5 -8.21 0.32 71.63 -7.09 1.18 72.21 -7.65 0.75 71.92 2 0 16.76 -999 ? S4 DTT B2694 >LYS.B 6 -7.93 -0.86 68.02 -13.56 -3.05 66.30 -10.74 -1.96 67.16 2 0 9.74 -999 ? S4 DTT B2694 >TYR.B 7 -6.94 3.43 65.95 -8.84 5.39 66.62 -7.89 4.41 66.28 3 0 11.92 -999 ? S4 DTT B2694 >THR^B 8 -3.11 4.57 68.02 -1.46 3.59 69.05 -2.29 4.08 68.53 2 0 18.17 -999 ? S4 DTT B2694 >TRP^B 9 -5.07 8.95 67.79 -4.47 12.82 67.31 -4.77 10.89 67.55 3 0 17.55 -999 ? S4 DTT B2694 >ASP^B 10 1.57 10.23 66.88 2.69 9.43 65.27 2.13 9.83 66.07 2 0 17.69 -999 ? S4 DTT A2694 >GLN^B 11 -0.34 15.62 66.07 -2.09 16.77 66.43 -1.22 16.20 66.25 2 0 21.86 -999 ? S4 DTT A2694 >GLU^B 12 5.16 14.78 62.32 6.85 14.73 61.06 6.01 14.76 61.69 2 0 18.42 -999 ? S4 DTT A2694 >LEU.B 13 3.14 21.09 62.40 2.30 23.09 62.67 2.72 22.09 62.53 3 0 23.38 -999 ? S4 DTT A2694 >ASN.B 14 2.42 19.28 57.72 4.20 18.09 57.57 3.31 18.69 57.64 2 0 17.87 -999 ? S4 DTT A2694 >GLU^B 15 3.05 14.14 59.37 4.46 12.76 58.54 3.75 13.45 58.95 2 0 14.51 -999 ? S4 DTT A2694 >ILE^B 16 -2.91 12.45 60.60 -3.54 12.60 61.95 -3.22 12.52 61.27 3 0 15.28 -999 ? S4 DTT A2694 >ASN^B 17 1.39 8.84 62.09 2.79 9.97 60.96 2.09 9.40 61.53 2 0 14.16 -999 ? S4 DTT A2694 >ILE^B 18 -3.51 5.79 61.86 -4.89 5.93 61.74 -4.20 5.86 61.80 3 0 12.87 -999 ? S4 DTT B2694 >GLN^B 19 1.43 3.73 64.41 0.92 5.68 65.23 1.18 4.70 64.82 2 0 16.38 -999 ? S4 DTT A2694 >PHE^B 20 -4.06 -0.90 62.26 -4.28 -1.19 59.47 -4.17 -1.05 60.87 3 0 11.85 -999 ? S4 DTT B2694 >PRO^B 21 -2.92 -4.57 66.46 -1.75 -3.75 64.73 -2.34 -4.16 65.59 3 0 16.13 -999 ? S4 DTT B2694 >VAL.B 22 -1.42 -6.83 61.70 0.00 -7.09 60.02 -0.71 -6.96 60.86 3 0 15.59 -999 ? S4 DTT A2694 >THR.B 23 -3.79 -9.72 62.24 -5.92 -10.02 62.59 -4.85 -9.87 62.42 2 0 15.36 -999 ? S4 DTT B2694 >GLY.B 24 -1.94 -11.85 62.29 -1.72 -12.03 61.50 -1.83 -11.94 61.90 1 0 19.19 -999 ? S4 DTT B2694 >SER.B 29 -5.31 -9.03 51.00 -3.13 -10.21 51.09 -4.22 -9.62 51.05 2 0 12.24 -999 ? O3 DTT A2694 >ALA.B 30 -6.20 -8.31 54.63 -5.36 -8.93 55.75 -5.78 -8.62 55.19 2 0 13.64 -999 ? O3 DTT A2694 >ILE^B 31 -4.31 -4.00 55.25 -3.33 -3.66 55.98 -3.82 -3.83 55.61 3 0 9.93 -999 ? S4 DTT A2694 >LYS^B 32 -8.41 -2.33 53.46 -10.32 -6.95 51.46 -9.36 -4.64 52.46 2 0 9.44 -999 ? S1 DTT B2694 >ILE^B 33 -6.63 1.92 54.13 -5.58 2.31 55.01 -6.10 2.12 54.57 3 0 7.24 -999 ? S4 DTT A2694 >ARG^B 34 -13.73 3.91 50.26 -15.53 2.10 51.99 -14.63 3.00 51.13 2 0 -2.93 -999 ? S1 DTT B2694s >MET?B 35 -10.53 7.84 52.71 -7.51 9.41 55.07 -9.02 8.62 53.89 2 0 10.41 -999 ? S4 DTT A2694 >VAL^B 36 -13.13 9.94 50.89 -14.59 9.08 49.48 -13.86 9.51 50.18 3 0 9.91 -999 ? O2 DTT B2694 >GLY.B 37 -13.16 13.56 51.97 -12.76 12.84 52.26 -12.96 13.20 52.11 1 0 12.85 -999 ? O2 DTT B2694 >LYS.B 38 -12.82 13.30 55.78 -14.31 17.39 59.61 -13.57 15.34 57.69 2 0 16.23 -999 ? O2 DTT B2694 >LYS^B 39 -14.50 9.85 55.97 -19.35 11.09 58.08 -16.92 10.47 57.02 2 0 9.61 -999 ? O2 DTT B2694 >ILE^B 40 -10.91 7.59 57.80 -9.99 7.48 58.90 -10.45 7.54 58.35 3 0 8.20 -999 ? S4 DTT B2694 >CYH^B 41 -12.55 3.33 56.87 -13.94 1.03 56.10 -13.24 2.18 56.49 2 0 -2.11 -999 ? S4 DTT B2694s >VAL^B 42 -9.79 0.93 57.90 -7.80 1.62 58.62 -8.80 1.28 58.26 3 0 6.62 -999 ? S4 DTT B2694 >LYS^B 43 -10.45 -2.79 58.09 -15.69 -3.98 55.29 -13.07 -3.38 56.69 2 0 -3.31 -999 ? O3 DTT B2694s >ASN^B 44 -7.22 -5.37 60.13 -5.55 -6.68 60.28 -6.38 -6.02 60.20 2 0 12.76 -999 ? S4 DTT B2694 >GLN.B 45 -7.23 -10.59 58.54 -6.85 -12.57 59.26 -7.04 -11.58 58.90 2 0 15.63 -999 ? O3 DTT B2694 >GLY.B 46 -12.85 -7.92 57.84 -12.33 -7.62 58.36 -12.59 -7.77 58.10 1 0 8.07 -999 ? O3 DTT B2694 >GLU^B 47 -12.56 -7.79 63.53 -12.98 -9.79 62.89 -12.77 -8.79 63.21 2 0 11.43 -999 ? O3 DTT B2694 >ILE^B 48 -14.50 -1.85 61.73 -15.57 -1.07 61.37 -15.03 -1.46 61.55 3 0 4.61 -999 ? C4 DTT B2694 >VAL^B 49 -10.14 -0.77 62.94 -7.97 -1.05 62.53 -9.06 -0.91 62.74 3 0 8.34 -999 ? S4 DTT B2694 >ILE^B 50 -10.56 3.84 61.97 -9.70 4.92 62.21 -10.13 4.38 62.09 3 0 7.66 -999 ? S4 DTT B2694 >ASP^B 51 -15.97 2.78 60.88 -17.62 3.20 59.61 -16.80 2.99 60.25 2 0 -3.34 -999 ? C4 DTT B2694s >GLY^B 52 -15.33 7.59 61.25 -14.96 7.49 60.54 -15.15 7.54 60.90 1 0 7.49 -999 ? S4 DTT B2694 >GLU^B 53 -15.87 13.21 59.36 -17.73 14.26 59.38 -16.80 13.74 59.37 2 0 12.84 -999 ? O2 DTT B2694 >LEU.B 54 -10.21 12.94 59.56 -8.63 11.49 59.34 -9.42 12.21 59.45 3 0 12.81 -999 ? S4 DTT B2694 >LEU.B 55 -10.41 16.28 63.92 -11.08 17.50 65.57 -10.74 16.89 64.74 3 0 17.99 -999 ? S4 DTT B2694 >HIS.B 56 -9.21 19.85 61.58 -9.76 20.86 63.33 -9.49 20.36 62.46 3 0 20.78 -999 ? S4 DTT B2694 >GLU.B 57 -11.32 19.03 55.00 -12.04 20.42 53.58 -11.68 19.73 54.29 2 0 19.31 -999 ? O2 DTT B2694 >VAL^B 58 -6.45 15.90 54.70 -6.70 14.06 55.85 -6.57 14.98 55.27 3 0 14.10 -999 ? S4 DTT A2694 >ASP^B 59 -3.50 15.99 50.87 -3.05 15.57 48.83 -3.28 15.78 49.85 2 0 12.09 -999 ? C4 DTT A2694 >VAL^B 60 -6.51 12.13 50.47 -8.56 11.35 50.45 -7.53 11.74 50.46 3 0 10.37 -999 ? C4 DTT A2694 >SER^B 61 -4.06 11.63 47.55 -3.00 13.66 46.72 -3.53 12.65 47.13 2 0 10.04 -999 ? O2 DTT A2694 >SER^B 62 -1.12 11.69 50.02 -1.56 12.96 52.05 -1.34 12.33 51.03 2 0 10.03 -999 ? S4 DTT A2694 >LEU^B 63 -3.89 8.10 51.79 -4.94 6.79 53.19 -4.42 7.44 52.49 3 0 6.05 -999 ? S4 DTT A2694 >TRP^B 64 3.73 5.28 52.61 3.40 3.12 49.33 3.57 4.20 50.97 3 0 -5.37 -999 ? S4 DTT A2694s >TRP^B 65 -2.12 1.85 52.76 -1.45 -2.02 53.03 -1.78 -0.08 52.90 3 0 5.07 -999 ? S4 DTT A2694 >VAL^B 66 3.26 0.12 54.92 5.06 1.32 54.63 4.16 0.72 54.78 3 0 8.34 -999 ? S4 DTT A2694 >ILE^B 67 3.25 -4.27 56.85 2.34 -5.37 56.93 2.79 -4.82 56.89 3 0 12.01 -999 ? S4 DTT A2694 >ASN^B 68 7.10 -1.32 60.27 7.50 0.15 58.76 7.30 -0.58 59.51 2 0 13.48 -999 ? S4 DTT A2694 >GLY.B 69 6.98 -6.07 61.36 6.34 -5.66 61.01 6.66 -5.87 61.19 1 0 17.55 -999 ? S4 DTT A2694 >ASP.B 70 3.49 -7.39 64.50 1.44 -8.02 64.84 2.46 -7.70 64.67 2 0 19.56 -999 ? S4 DTT A2694 >VAL^B 71 2.47 -3.02 62.83 2.77 -1.70 64.56 2.62 -2.36 63.70 3 0 16.12 -999 ? S4 DTT A2694 >VAL^B 72 0.76 -1.15 59.97 -0.91 -1.72 58.67 -0.07 -1.43 59.32 3 0 11.30 -999 ? S4 DTT A2694 >ASP^B 73 3.29 2.86 59.78 4.21 2.23 61.56 3.75 2.54 60.67 2 0 13.65 -999 ? S4 DTT A2694 >VAL^B 74 -0.62 4.84 57.87 -2.71 4.27 57.56 -1.66 4.55 57.72 3 0 8.62 -999 ? S4 DTT A2694 >ASN^B 75 1.80 8.56 56.72 2.44 10.55 56.46 2.12 9.55 56.59 2 0 10.94 -999 ? S4 DTT A2694 >VAL^B 76 -1.70 11.27 55.44 -3.92 11.59 55.46 -2.81 11.43 55.45 3 0 10.32 -999 ? S4 DTT A2694 >THR^B 77 -0.85 14.98 55.02 0.64 15.88 53.71 -0.10 15.43 54.37 2 0 13.48 -999 ? S4 DTT A2694 >LYS^B 78 -3.08 17.62 56.67 -1.51 18.13 62.81 -2.30 17.88 59.74 2 0 20.11 -999 ? S4 DTT A2694 >LYS.B 79 -4.62 20.33 54.45 -7.34 18.44 50.47 -5.98 19.38 52.46 2 0 16.08 -999 ? C4 DTT A2694 >ARG.B 80 -7.42 24.19 56.71 -9.91 24.13 54.85 -8.67 24.16 55.78 2 0 23.15 -999 ? S4 DTT A2694 >ASN.B 81 0.58 23.63 59.02 1.52 22.77 57.31 1.05 23.20 58.17 2 0 21.26 -999 ? S4 DTT A2694 >GLU.B 82 -4.92 22.60 62.50 -6.67 23.51 61.70 -5.80 23.05 62.10 2 0 24.30 -999 ? S4 DTT A2694 >TRP.B 83 0.00 22.66 67.65 2.68 20.14 66.27 1.34 21.40 66.96 3 0 25.49 -999 ? S4 DTT A2694 >TRP.B 84 -5.24 18.47 63.07 -6.89 15.55 60.97 -6.06 17.01 62.02 3 0 19.01 -999 ? S4 DTT B2694 >ASP.B 85 -8.33 18.60 70.05 -7.97 20.63 70.58 -8.15 19.62 70.31 2 0 24.63 -999 ? S4 DTT B2694 >SER.B 86 -8.35 14.43 68.49 -10.73 14.85 68.18 -9.54 14.64 68.33 2 0 18.00 -999 ? S4 DTT B2694 >LEU.B 87 -7.68 10.66 65.50 -6.84 9.58 63.83 -7.26 10.12 64.66 3 0 14.07 -999 ? S4 DTT B2694 >LEU.B 88 -12.38 10.50 65.03 -11.86 8.69 63.95 -12.12 9.59 64.49 3 0 11.44 -999 ? S4 DTT B2694 >VAL.B 89 -14.84 14.20 65.10 -16.10 13.99 63.33 -15.47 14.10 64.21 3 0 14.63 -999 ? S4 DTT B2694