REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUN-09 3HX1 COMPND SLR1951 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 1-123; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; SOURCE 3 ORGANISM_TAXID: 1148; SOURCE 4 STRAIN: PCC 6803; SOURCE 5 GENE: SLR1951; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR S.VOROBIEV,Y.CHEN,J.SEETHARAMAN,J.JANJUA,R.XIAO,C.CICCOSANTI, AUTHOR 2 R.L.BELOTE,J.K.EVERETT,R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 85 8 HET MSE A 104 8 HET MSE B 85 8 HET MSE B 104 8 >LEU.A 9 -19.83 3.62 150.67 -21.56 3.78 149.39 -20.69 3.70 150.03 3 0 1000.00 -999 ? >GLN.A 10 -18.69 2.22 156.93 -19.66 1.10 158.46 -19.17 1.66 157.69 2 0 1000.00 -999 ? >GLU^A 11 -13.20 2.38 152.44 -12.19 3.44 150.90 -12.70 2.91 151.67 2 0 1000.00 -999 ? >HIS^A 12 -13.92 -4.55 153.76 -15.87 -5.18 154.20 -14.89 -4.86 153.98 3 0 1000.00 -999 ? >ILE^A 13 -8.62 0.10 155.30 -8.13 0.71 154.10 -8.38 0.40 154.70 3 0 1000.00 -999 ? >LEU^A 14 -5.46 -4.68 154.92 -5.52 -6.70 155.67 -5.49 -5.69 155.29 3 0 1000.00 -999 ? >ILE^A 15 -2.99 -0.70 158.74 -3.58 -0.10 158.95 -3.29 -0.40 158.85 3 0 1000.00 -999 ? >ILE^A 16 0.47 -4.29 155.44 0.42 -5.34 154.53 0.45 -4.81 154.99 3 0 1000.00 -999 ? >LEU^A 17 3.36 -2.85 160.22 4.89 -1.72 161.23 4.13 -2.29 160.73 3 0 1000.00 -999 ? >ASP^A 18 6.23 -6.00 156.48 5.60 -5.03 154.70 5.91 -5.52 155.59 2 0 1000.00 -999 ? >ASP.A 19 11.04 -5.74 155.72 11.44 -7.39 156.99 11.24 -6.57 156.36 2 0 1000.00 -999 ? >ALA.A 20 8.90 -2.14 153.83 8.14 -2.59 152.60 8.52 -2.37 153.21 2 0 1000.00 -999 ? >GLY^A 21 7.24 0.10 156.41 6.83 -0.57 156.16 7.03 -0.24 156.29 1 0 1000.00 -999 ? >ARG^A 22 1.29 2.19 160.03 3.61 2.20 162.04 2.45 2.19 161.04 2 0 1000.00 -999 ? >ARG^A 23 2.19 -1.54 151.45 2.02 -4.59 151.63 2.10 -3.06 151.54 2 0 1000.00 -999 ? >GLU^A 24 -3.68 2.04 155.26 -4.89 3.74 155.63 -4.28 2.89 155.45 2 0 1000.00 -999 ? >VAL^A 25 -4.34 -1.87 151.23 -3.43 -3.75 150.68 -3.89 -2.81 150.96 3 0 1000.00 -999 ? >LEU^A 26 -8.48 -0.71 149.10 -10.50 -0.01 148.92 -9.49 -0.36 149.01 3 0 1000.00 -999 ? >LEU^A 27 -9.96 -5.75 151.75 -8.34 -6.84 152.68 -9.15 -6.29 152.22 3 0 1000.00 -999 ? >THR.A 28 -11.78 -5.49 147.32 -11.68 -4.22 145.54 -11.73 -4.85 146.43 2 0 1000.00 -999 ? >GLU.A 29 -10.13 -9.04 144.40 -11.69 -8.67 143.01 -10.91 -8.85 143.71 2 0 1000.00 -999 ? >THR.A 30 -13.37 -12.36 147.66 -15.05 -13.47 146.92 -14.21 -12.92 147.29 2 0 1000.00 -999 ? >PHE^A 31 -9.24 -16.68 147.96 -7.44 -18.64 148.84 -8.34 -17.66 148.40 3 0 1000.00 -999 ? >TYR^A 32 -7.26 -10.62 149.03 -8.30 -8.31 147.80 -7.78 -9.46 148.41 3 0 1000.00 -999 ? >THR^A 33 -3.52 -15.14 149.66 -2.94 -16.20 147.88 -3.23 -15.67 148.77 2 0 1000.00 -999 ? >ILE^A 34 -1.59 -12.98 153.25 -2.14 -11.98 154.08 -1.86 -12.48 153.67 3 0 1000.00 -999 ? >GLY^A 35 2.74 -14.02 152.26 2.66 -13.30 151.88 2.70 -13.66 152.07 1 0 1000.00 -999 ? >ARG.A 36 9.42 -14.83 152.85 10.37 -17.57 153.86 9.89 -16.20 153.35 2 0 1000.00 -999 ? >SER.A 37 6.45 -14.33 148.06 5.98 -15.97 146.32 6.22 -15.15 147.19 2 0 1000.00 -999 ? >PRO.A 38 7.93 -12.56 144.43 5.93 -12.91 145.33 6.93 -12.74 144.88 3 0 1000.00 -999 ? >ARG.A 39 3.67 -19.10 144.11 4.19 -20.68 146.71 3.93 -19.89 145.41 2 0 1000.00 -999 ? >ALA.A 40 0.86 -13.89 147.22 1.41 -13.63 148.64 1.13 -13.76 147.93 2 0 1000.00 -999 ? >ASP.A 41 -3.37 -11.63 146.57 -4.04 -13.34 145.51 -3.71 -12.49 146.04 2 0 1000.00 -999 ? >ILE^A 42 -1.87 -9.03 150.50 -2.88 -8.29 151.17 -2.38 -8.66 150.84 3 0 1000.00 -999 ? >ARG^A 43 5.20 -9.20 146.95 8.25 -9.48 146.66 6.73 -9.34 146.80 2 0 1000.00 -999 ? >ILE.A 44 3.31 -9.86 154.75 2.54 -9.53 154.94 2.92 -9.70 154.84 3 0 1000.00 -999 ? >LYS.A 45 7.77 -8.52 153.36 12.26 -4.24 152.07 10.01 -6.38 152.72 2 0 1000.00 -999 ? >SER.A 46 9.63 -10.44 156.10 9.52 -10.65 158.50 9.57 -10.54 157.30 2 0 1000.00 -999 ? >GLN.A 47 13.37 -12.95 158.46 15.35 -13.30 159.18 14.36 -13.13 158.82 2 0 1000.00 -999 ? >PHE.A 48 10.41 -13.32 161.42 12.77 -12.44 162.65 11.59 -12.88 162.04 3 0 1000.00 -999 ? >VAL.A 49 6.50 -14.80 157.04 5.10 -13.24 156.49 5.80 -14.02 156.77 3 0 1000.00 -999 ? >SER.A 50 6.04 -17.89 154.90 5.41 -19.65 156.44 5.73 -18.77 155.67 2 0 1000.00 -999 ? >ARG.A 51 8.39 -19.71 149.14 11.06 -20.77 148.08 9.73 -20.24 148.61 2 0 1000.00 -999 ? >ILE.A 52 1.37 -18.95 150.54 0.60 -18.10 149.52 0.98 -18.52 150.03 3 0 1000.00 -999 ? >HIS.A 53 2.06 -16.48 157.35 2.70 -16.83 159.32 2.38 -16.65 158.33 3 0 1000.00 -999 ? >ALA^A 54 -2.56 -17.29 155.10 -2.89 -16.45 156.32 -2.72 -16.87 155.71 2 0 1000.00 -999 ? >VAL^A 55 -5.75 -16.56 153.19 -6.13 -18.60 152.58 -5.94 -17.58 152.88 3 0 1000.00 -999 ? >LEU^A 56 -8.30 -12.61 153.31 -7.38 -11.34 154.76 -7.84 -11.97 154.04 3 0 1000.00 -999 ? >VAL^A 57 -12.09 -15.15 152.32 -12.19 -17.24 153.00 -12.14 -16.19 152.66 3 0 1000.00 -999 ? >ARG^A 58 -16.11 -9.36 150.85 -15.85 -8.75 147.87 -15.98 -9.05 149.36 2 0 1000.00 -999 ? >ALA.A 66 -20.13 -8.95 156.62 -20.93 -9.70 155.57 -20.53 -9.33 156.10 2 0 1000.00 -999 ? >ALA.A 67 -16.32 -9.07 156.59 -15.59 -8.47 157.78 -15.96 -8.77 157.19 2 0 1000.00 -999 ? >TYR^A 68 -12.19 -10.01 153.99 -12.51 -8.79 151.51 -12.35 -9.40 152.75 3 0 1000.00 -999 ? >ARG^A 69 -13.49 -18.10 158.30 -15.62 -19.24 160.20 -14.55 -18.67 159.25 2 0 1000.00 -999 ? >ILE^A 70 -7.53 -14.25 158.49 -6.40 -13.93 159.33 -6.96 -14.09 158.91 3 0 1000.00 -999 ? >ILE^A 71 -7.95 -19.86 156.85 -8.82 -20.06 156.56 -8.39 -19.96 156.71 3 0 1000.00 -999 ? >ASP^A 72 -3.20 -20.31 160.01 -1.10 -20.64 160.06 -2.15 -20.47 160.04 2 0 1000.00 -999 ? >GLY.A 73 -1.67 -21.70 155.98 -2.05 -21.03 155.76 -1.86 -21.37 155.87 1 0 1000.00 -999 ? >ASP.A 74 -0.22 -22.01 151.32 0.41 -24.01 151.63 0.10 -23.01 151.47 2 0 1000.00 -999 ? >GLU.A 75 -4.66 -20.82 147.99 -4.62 -20.25 145.96 -4.64 -20.54 146.97 2 0 1000.00 -999 ? >ASP.A 76 -1.59 -26.87 149.65 -1.52 -27.94 147.85 -1.56 -27.40 148.75 2 0 1000.00 -999 ? >GLY.A 77 -3.79 -26.01 153.63 -3.00 -26.00 153.38 -3.39 -26.01 153.50 1 0 1000.00 -999 ? >GLN.A 78 2.31 -26.69 154.65 3.63 -28.17 153.86 2.97 -27.43 154.25 2 0 1000.00 -999 ? >SER.A 79 0.51 -23.86 157.66 -0.14 -25.40 159.42 0.19 -24.63 158.54 2 0 1000.00 -999 ? >SER.A 80 3.65 -22.03 158.79 2.49 -19.93 159.11 3.07 -20.98 158.95 2 0 1000.00 -999 ? >VAL.A 81 5.50 -22.37 162.10 7.46 -22.12 163.06 6.48 -22.24 162.58 3 0 1000.00 -999 ? >GLY.A 83 0.70 -18.84 162.63 1.08 -18.22 163.01 0.89 -18.53 162.82 1 0 1000.00 -999 ? >LEU^A 84 -2.97 -15.94 162.56 -3.07 -16.09 160.41 -3.02 -16.02 161.49 3 0 1000.00 -999 ? >MET?A 85 -1.34 -14.48 166.78 1.81 -14.39 169.56 0.24 -14.43 168.17 2 0 1000.00 -999 ? >ILE^A 86 -5.55 -12.51 167.31 -6.57 -12.07 166.35 -6.06 -12.29 166.83 3 0 1000.00 -999 ? >ASN.A 87 -5.38 -10.73 171.90 -6.52 -9.37 170.72 -5.95 -10.05 171.31 2 0 1000.00 -999 ? >GLY.A 88 -1.04 -13.08 172.29 -1.64 -13.33 171.89 -1.34 -13.20 172.09 1 0 1000.00 -999 ? >LYS^A 89 -2.79 -16.30 171.28 -6.12 -16.61 176.68 -4.45 -16.45 173.98 2 0 1000.00 -999 ? >LYS^A 90 -2.39 -18.47 168.15 3.17 -17.82 167.29 0.39 -18.15 167.72 2 0 1000.00 -999 ? >VAL^A 91 -5.55 -19.02 166.08 -6.37 -17.03 166.21 -5.96 -18.03 166.15 3 0 1000.00 -999 ? >GLN.A 92 -6.50 -23.43 164.02 -4.43 -23.67 163.68 -5.47 -23.55 163.85 2 0 1000.00 -999 ? >GLU^A 93 -10.94 -20.70 161.51 -12.17 -21.84 160.22 -11.56 -21.27 160.87 2 0 1000.00 -999 ? >HIS^A 94 -9.99 -13.80 164.31 -10.54 -12.29 165.66 -10.26 -13.04 164.98 3 0 1000.00 -999 ? >ILE^A 95 -15.01 -13.64 161.86 -16.40 -13.86 161.29 -15.71 -13.75 161.57 3 0 1000.00 -999 ? >ILE.A 96 -10.77 -9.77 160.16 -9.44 -9.63 159.56 -10.11 -9.70 159.86 3 0 1000.00 -999 ? >GLN.A 97 -14.21 -9.02 165.15 -16.03 -9.41 164.11 -15.12 -9.21 164.63 2 0 1000.00 -999 ? >THR.A 98 -12.40 -3.75 162.82 -13.50 -1.89 162.87 -12.95 -2.82 162.84 2 0 1000.00 -999 ? >GLY.A 99 -9.60 -2.88 165.20 -9.52 -3.62 164.81 -9.56 -3.25 165.01 1 0 1000.00 -999 ? >ASP.A 100 -8.56 -7.57 164.58 -10.19 -8.29 165.68 -9.38 -7.93 165.13 2 0 1000.00 -999 ? >GLU^A 101 -1.84 -5.95 165.61 -0.58 -5.58 167.27 -1.21 -5.77 166.44 2 0 1000.00 -999 ? >ILE^A 102 -3.59 -10.67 162.34 -4.43 -10.95 161.91 -4.01 -10.81 162.12 3 0 1000.00 -999 ? >VAL^A 103 0.58 -10.34 164.70 1.67 -9.61 166.41 1.13 -9.97 165.56 3 0 1000.00 -999 ? >MET?A 104 2.06 -12.71 162.22 0.84 -12.11 158.43 1.45 -12.41 160.33 2 0 1000.00 -999 ? >GLY.A 105 5.80 -12.94 163.05 5.42 -12.27 163.41 5.61 -12.60 163.23 1 0 1000.00 -999 ? >PRO.A 106 9.67 -12.91 165.19 8.15 -11.40 164.56 8.91 -12.15 164.88 3 0 1000.00 -999 ? >GLN.A 107 9.65 -5.38 163.49 10.07 -4.65 165.45 9.86 -5.01 164.47 2 0 1000.00 -999 ? >VAL.A 108 5.16 -7.94 161.43 5.13 -9.46 159.89 5.14 -8.70 160.66 3 0 1000.00 -999 ? >SER^A 109 1.38 -7.55 161.57 1.35 -5.56 162.92 1.36 -6.55 162.25 2 0 1000.00 -999 ? >VAL^A 110 -1.82 -6.41 159.84 -2.16 -8.05 158.43 -1.99 -7.23 159.14 3 0 1000.00 -999 ? >ARG^A 111 -3.52 -1.66 164.07 -6.16 -0.11 163.92 -4.84 -0.89 164.00 2 0 1000.00 -999 ? >TYR^A 112 -10.17 -5.37 159.24 -12.65 -5.09 157.95 -11.41 -5.23 158.59 3 0 1000.00 -999 ? >GLU^A 113 -8.95 0.32 161.12 -7.89 2.15 161.09 -8.42 1.23 161.10 2 0 1000.00 -999 ? >TYR^A 114 -16.22 -1.64 158.01 -18.25 -1.96 156.13 -17.23 -1.80 157.07 3 0 1000.00 -999 ? >ARG^A 115 -10.48 5.10 156.57 -7.69 3.84 156.77 -9.08 4.47 156.67 2 0 1000.00 -999 ? >ARG.A 116 -19.36 7.03 158.15 -21.76 5.67 159.50 -20.56 6.35 158.82 2 0 1000.00 -999 ? >ARG.A 117 -14.63 6.05 151.43 -15.62 5.86 148.54 -15.13 5.95 149.99 2 0 1000.00 -999 ? >GLU.B 11 -2.21 18.80 169.19 -3.71 17.41 169.77 -2.96 18.11 169.48 2 0 1000.00 -999 ? >HIS^B 12 0.51 16.36 163.64 -1.10 15.13 163.11 -0.29 15.74 163.38 3 0 1000.00 -999 ? >ILE^B 13 6.26 17.37 167.89 5.00 17.86 168.59 5.63 17.62 168.24 3 0 1000.00 -999 ? >LEU^B 14 9.16 15.88 163.13 10.01 14.46 161.76 9.59 15.17 162.45 3 0 1000.00 -999 ? >ILE^B 15 11.71 14.34 168.24 11.68 14.21 169.71 11.70 14.27 168.97 3 0 1000.00 -999 ? >ILE^B 16 15.25 16.85 164.22 15.07 17.46 162.97 15.16 17.16 163.60 3 0 1000.00 -999 ? >LEU^B 17 18.32 12.90 167.05 17.58 12.40 169.00 17.95 12.65 168.03 3 0 1000.00 -999 ? >ASP^B 18 21.00 16.28 163.05 20.02 18.04 163.68 20.51 17.16 163.37 2 0 1000.00 -999 ? >ASP.B 19 25.87 17.01 163.69 26.16 15.22 162.61 26.01 16.11 163.15 2 0 1000.00 -999 ? >ALA.B 20 23.20 20.14 165.81 22.22 20.94 164.97 22.71 20.54 165.39 2 0 1000.00 -999 ? >GLY^B 21 21.85 18.18 168.75 21.44 18.05 168.06 21.65 18.12 168.41 1 0 1000.00 -999 ? >ARG^B 22 16.67 15.02 172.16 13.70 15.02 172.92 15.19 15.02 172.54 2 0 1000.00 -999 ? >ARG^B 23 16.25 21.67 165.70 15.48 21.70 162.75 15.87 21.68 164.22 2 0 1000.00 -999 ? >GLU^B 24 11.23 18.93 170.51 9.92 18.65 172.15 10.57 18.79 171.33 2 0 1000.00 -999 ? >VAL^B 25 9.60 20.81 164.98 10.64 21.24 163.11 10.12 21.03 164.04 3 0 1000.00 -999 ? >LEU^B 26 5.06 22.42 165.41 5.04 23.06 167.45 5.05 22.74 166.43 3 0 1000.00 -999 ? >LEU.B 27 4.27 18.14 161.40 6.04 17.09 160.72 5.15 17.61 161.06 3 0 1000.00 -999 ? >THR.B 28 1.43 21.86 160.72 1.19 24.01 161.01 1.31 22.94 160.87 2 0 1000.00 -999 ? >GLU.B 29 2.78 24.08 156.46 0.95 25.13 156.34 1.87 24.61 156.40 2 0 1000.00 -999 ? >THR.B 30 0.43 19.42 154.26 -0.45 19.59 152.29 -0.01 19.51 153.28 2 0 1000.00 -999 ? >PHE^B 31 4.97 18.78 150.54 7.06 17.92 148.91 6.01 18.35 149.72 3 0 1000.00 -999 ? >TYR^B 32 6.81 19.72 156.45 5.33 21.31 158.19 6.07 20.52 157.32 3 0 1000.00 -999 ? >THR^B 33 10.96 18.53 152.59 11.24 20.03 151.06 11.10 19.28 151.83 2 0 1000.00 -999 ? >ILE^B 34 13.39 15.83 155.58 12.90 15.15 156.70 13.14 15.49 156.14 3 0 1000.00 -999 ? >GLY^B 35 17.42 17.46 153.99 17.24 18.02 154.59 17.33 17.74 154.29 1 0 1000.00 -999 ? >ARG.B 36 24.13 17.89 153.40 24.68 16.71 150.61 24.40 17.30 152.00 2 0 1000.00 -999 ? >SER.B 37 20.05 21.89 152.21 18.94 22.88 150.29 19.50 22.39 151.25 2 0 1000.00 -999 ? >PRO.B 38 20.79 26.18 152.19 19.41 24.77 153.22 20.10 25.48 152.71 3 0 1000.00 -999 ? >ARG.B 39 17.09 26.94 148.26 18.25 28.75 146.10 17.67 27.84 147.18 2 0 1000.00 -999 ? >ALA.B 40 14.63 22.09 152.92 15.47 20.97 153.57 15.05 21.53 153.24 2 0 1000.00 -999 ? >ASP.B 41 10.07 22.16 154.69 9.08 22.93 153.01 9.58 22.55 153.85 2 0 1000.00 -999 ? >ILE^B 42 12.19 19.55 158.32 11.36 18.94 159.37 11.77 19.24 158.84 3 0 1000.00 -999 ? >ARG^B 43 19.18 24.35 158.47 21.84 23.95 159.96 20.51 24.15 159.21 2 0 1000.00 -999 ? >ILE.B 44 18.69 17.04 158.36 18.11 16.36 159.47 18.40 16.70 158.92 3 0 1000.00 -999 ? >LYS.B 45 22.52 18.99 160.11 26.48 22.54 163.59 24.50 20.77 161.85 2 0 1000.00 -999 ? >SER.B 46 24.56 16.05 158.89 24.20 13.63 158.76 24.38 14.84 158.82 2 0 1000.00 -999 ? >GLN.B 47 29.34 15.68 154.95 31.30 14.82 154.96 30.32 15.25 154.96 2 0 1000.00 -999 ? >PHE.B 48 27.13 11.09 156.93 29.63 11.38 158.17 28.38 11.23 157.55 3 0 1000.00 -999 ? >VAL.B 49 21.96 13.43 154.72 20.34 13.97 156.07 21.15 13.70 155.40 3 0 1000.00 -999 ? >SER.B 50 21.13 14.44 151.12 20.91 12.34 149.90 21.02 13.39 150.51 2 0 1000.00 -999 ? >ARG.B 51 22.18 20.26 147.90 23.80 21.99 145.97 22.99 21.12 146.93 2 0 1000.00 -999 ? >ILE.B 52 15.76 17.38 148.79 14.76 18.43 149.32 15.26 17.90 149.05 3 0 1000.00 -999 ? >HIS.B 53 17.76 11.88 153.30 18.70 10.03 153.57 18.23 10.95 153.44 3 0 1000.00 -999 ? >ALA^B 54 12.94 12.85 151.99 12.82 11.76 153.05 12.88 12.31 152.52 2 0 1000.00 -999 ? >VAL^B 55 9.48 14.42 152.10 9.08 14.44 149.95 9.28 14.43 151.02 3 0 1000.00 -999 ? >LEU^B 56 6.55 14.89 155.78 7.81 14.20 157.39 7.18 14.54 156.58 3 0 1000.00 -999 ? >VAL^B 57 2.92 14.24 152.96 2.57 13.70 150.88 2.75 13.97 151.92 3 0 1000.00 -999 ? >ARG^B 58 -1.77 17.55 157.42 -1.62 18.76 160.23 -1.70 18.16 158.82 2 0 1000.00 -999 ? >SER^B 60 -6.48 14.06 156.90 -5.75 16.27 156.16 -6.11 15.16 156.53 2 0 1000.00 -999 ? >SER.B 61 -9.67 11.99 157.24 -8.33 10.02 157.73 -9.00 11.01 157.49 2 0 1000.00 -999 ? >GLN.B 65 -3.99 11.73 164.48 -2.73 10.40 165.58 -3.36 11.06 165.03 2 0 1000.00 -999 ? >ALA^B 66 -4.26 13.49 160.57 -3.95 14.98 160.41 -4.11 14.23 160.49 2 0 1000.00 -999 ? >ALA^B 67 -1.10 11.59 159.74 -1.39 10.11 159.91 -1.24 10.85 159.83 2 0 1000.00 -999 ? >TYR^B 68 2.77 14.16 158.56 1.91 16.79 158.98 2.34 15.47 158.77 3 0 1000.00 -999 ? >ARG^B 69 2.36 7.06 152.38 1.10 9.27 150.69 1.73 8.17 151.53 2 0 1000.00 -999 ? >ILE^B 70 8.27 9.66 155.89 9.54 9.33 156.47 8.90 9.49 156.18 3 0 1000.00 -999 ? >ILE^B 71 7.84 9.75 149.95 6.98 9.69 149.94 7.41 9.72 149.95 3 0 1000.00 -999 ? >ASP^B 72 12.98 7.37 150.10 15.06 7.49 149.73 14.02 7.43 149.91 2 0 1000.00 -999 ? >GLY.B 73 13.90 11.20 147.85 13.47 11.49 148.43 13.68 11.34 148.14 1 0 1000.00 -999 ? >ASP.B 74 14.26 15.61 146.07 15.15 14.82 144.30 14.70 15.21 145.19 2 0 1000.00 -999 ? >GLU.B 75 9.14 18.25 146.04 9.51 20.30 146.50 9.33 19.28 146.27 2 0 1000.00 -999 ? >ASP.B 76 13.09 15.75 141.07 12.75 17.80 140.72 12.92 16.78 140.90 2 0 1000.00 -999 ? >GLY.B 77 11.46 11.45 142.67 12.12 11.88 142.60 11.79 11.66 142.63 1 0 1000.00 -999 ? >GLN.B 78 15.72 12.49 141.06 15.63 10.82 139.71 15.68 11.66 140.39 2 0 1000.00 -999 ? >SER.B 79 16.49 8.84 145.94 16.00 6.85 144.65 16.25 7.85 145.29 2 0 1000.00 -999 ? >SER.B 80 19.06 9.71 148.58 17.92 9.33 150.70 18.49 9.52 149.64 2 0 1000.00 -999 ? >VAL.B 81 22.09 7.84 149.91 24.01 8.37 149.05 23.05 8.10 149.48 3 0 1000.00 -999 ? >ASN.B 82 21.87 7.13 154.22 23.98 7.27 154.30 22.93 7.20 154.26 2 0 1000.00 -999 ? >GLY.B 83 17.67 6.39 152.27 18.02 6.50 152.93 17.85 6.44 152.60 1 0 1000.00 -999 ? >LEU.B 84 13.71 6.07 154.65 13.03 8.09 154.33 13.37 7.08 154.49 3 0 1000.00 -999 ? >MET?B 85 15.55 3.08 157.68 19.13 1.15 158.95 17.34 2.12 158.31 2 0 1000.00 -999 ? >ILE.B 86 11.54 2.25 159.89 10.86 2.18 160.40 11.20 2.22 160.14 3 0 1000.00 -999 ? >ASN.B 87 12.17 -1.98 162.31 10.62 -1.17 163.51 11.39 -1.57 162.91 2 0 1000.00 -999 ? >GLY.B 88 16.80 -1.85 160.79 16.15 -1.68 160.35 16.47 -1.77 160.57 1 0 1000.00 -999 ? >LYS^B 89 15.32 -2.02 157.30 15.74 -7.60 156.22 15.53 -4.81 156.76 2 0 1000.00 -999 ? >LYS^B 90 15.44 0.37 154.33 20.66 2.36 154.92 18.05 1.36 154.63 2 0 1000.00 -999 ? >VAL.B 91 12.01 1.71 153.36 11.20 2.02 155.33 11.60 1.86 154.35 3 0 1000.00 -999 ? >GLN.B 92 11.20 2.09 148.58 13.00 3.06 148.01 12.10 2.58 148.30 2 0 1000.00 -999 ? >GLU^B 93 6.57 4.79 149.55 5.35 5.95 148.30 5.96 5.37 148.92 2 0 1000.00 -999 ? >HIS^B 94 6.89 4.27 157.78 6.38 3.63 159.71 6.64 3.95 158.74 3 0 1000.00 -999 ? >ILE^B 95 1.51 5.32 157.21 0.17 5.21 156.83 0.84 5.26 157.02 3 0 1000.00 -999 ? >ILE.B 96 5.00 8.94 160.43 6.14 9.78 160.61 5.57 9.36 160.52 3 0 1000.00 -999 ? >GLN.B 97 2.11 4.48 165.08 1.26 2.52 165.01 1.68 3.50 165.04 2 0 1000.00 -999 ? >THR.B 98 3.59 8.12 166.95 2.41 8.34 168.72 3.00 8.23 167.83 2 0 1000.00 -999 ? >GLY.B 99 6.55 6.34 168.46 6.64 6.58 167.66 6.60 6.46 168.06 1 0 1000.00 -999 ? >ASP.B 100 7.56 5.49 163.79 5.99 4.12 163.47 6.77 4.80 163.63 2 0 1000.00 -999 ? >GLU^B 101 14.20 6.50 165.49 15.72 5.71 166.70 14.96 6.10 166.10 2 0 1000.00 -999 ? >ILE^B 102 12.60 7.64 160.21 11.66 7.73 159.19 12.13 7.68 159.70 3 0 1000.00 -999 ? >VAL^B 103 17.18 6.85 160.68 18.76 5.86 161.79 17.97 6.36 161.23 3 0 1000.00 -999 ? >MET?B 104 18.47 8.76 157.66 15.99 12.16 157.81 17.23 10.46 157.73 2 0 1000.00 -999 ? >GLY^B 105 22.12 8.05 158.26 21.75 8.03 159.00 21.93 8.04 158.63 1 0 1000.00 -999 ? >PRO.B 106 26.20 6.81 158.92 24.53 7.58 160.18 25.36 7.19 159.55 3 0 1000.00 -999 ? >GLN.B 107 25.54 10.59 165.61 26.23 9.03 166.88 25.88 9.81 166.25 2 0 1000.00 -999 ? >VAL^B 108 20.92 11.01 162.57 20.71 12.04 160.66 20.81 11.53 161.61 3 0 1000.00 -999 ? >SER^B 109 17.23 10.18 162.98 17.27 9.21 165.21 17.25 9.69 164.10 2 0 1000.00 -999 ? >VAL^B 110 13.71 11.54 163.54 13.28 12.34 161.52 13.50 11.94 162.53 3 0 1000.00 -999 ? >TYR^B 112 5.28 11.38 164.33 2.62 12.22 164.16 3.95 11.80 164.24 3 0 1000.00 -999 ? >GLU^B 113 6.51 11.48 170.29 7.30 12.17 172.15 6.90 11.83 171.22 2 0 1000.00 -999 ? >TYR^B 114 -1.17 13.18 167.59 -3.44 14.71 167.01 -2.31 13.94 167.30 3 0 1000.00 -999 ? >ARG.B 115 4.76 16.94 172.62 6.15 14.92 174.48 5.45 15.93 173.55 2 0 1000.00 -999 ?