HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUL-07 2QNT COMPND UNCHARACTERIZED PROTEIN ATU1872; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: AGR_C_3434P; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58; SOURCE 5 ATCC: 33970; SOURCE 6 GENE: AGR_C_3434, ATU1872; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR B.NOCEK,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 70 13 HET EPE A 136 15 SITE 1 AC1 12 TYR A -3 ILE A 7 TRP A 101 ARG A 107 mASN.A -5 14.02 11.87 61.40 14.20 11.08 60.82 13.34 12.64 63.69 12.17 12.30 63.94 13.75 13.06 62.27 12.67 13.93 61.61 2 0 15.86-999 ?-999 ?-999 ? O2S EPE A 136 mLEU.A -4 14.28 12.70 64.64 15.18 12.98 64.29 13.04 13.34 66.72 12.56 13.04 67.82 14.02 12.39 66.05 15.34 12.43 66.85 3 0 15.05-999 ?-999 ?-999 ? O2S EPE A 136 mTYR.A -3 12.75 14.45 66.08 13.09 14.48 65.14 10.62 15.67 66.09 9.89 16.61 66.42 12.00 15.54 66.68 12.76 16.85 66.53 3 0 -18.31-999 ?-999 ?-999 ? O2S EPE A 136s mPHE.A -2 10.23 14.72 65.25 10.90 14.00 65.07 7.92 14.44 65.77 8.03 13.43 66.44 8.91 14.75 64.67 8.75 13.74 63.52 3 0 17.40-999 ?-999 ?-999 ? C2 EPE A 136 mGLN.A -1 6.93 15.28 65.92 6.93 16.05 65.28 4.66 14.56 66.24 4.49 14.65 65.03 5.93 15.09 66.94 5.74 16.40 67.75 2 0 18.21-999 ?-999 ?-999 ? C2 EPE A 136 mGLY.A 0 3.81 13.94 66.99 4.06 13.86 67.95 2.76 12.19 65.53 3.72 11.46 65.68 2.58 13.45 66.38-999.99-999.99-999.99 1 0 17.39-999 ?-999 ?-999 ? C2 EPE A 136 mMETA 1 1.78 11.93 64.65 1.18 12.71 64.46 2.25 10.53 62.69 2.13 11.45 61.89 1.61 10.62 64.04 0.09 10.34 63.90 2 0 14.86-999 ?-999 ?-999 ? C3 EPE A 136 mARG.A 2 2.91 9.40 62.43 2.92 8.75 63.19 3.17 7.78 60.65 3.31 6.80 61.38 3.56 9.16 61.14 5.10 9.23 61.30 2 0 12.86-999 ?-999 ?-999 ? C3 EPE A 136 mPHE.A 3 2.70 7.70 59.41 2.47 8.58 58.99 3.93 5.91 58.35 4.68 6.63 57.73 2.55 6.41 58.76 1.65 6.53 57.53 3 0 11.34-999 ?-999 ?-999 ? C3 EPE A 136 mVAL.A 4 4.24 4.67 58.69 3.50 4.18 59.14 5.46 3.10 57.27 6.09 3.30 56.23 5.53 4.09 58.41 6.16 3.51 59.67 3 0 8.54-999 ?-999 ?-999 ? C3 EPE A 136 mASN.A 5 4.68 2.03 57.41 4.28 1.85 58.31 3.25 0.33 56.29 2.72 0.00 57.33 4.47 1.22 56.22 5.74 0.45 55.83 2 0 8.35-999 ?-999 ?-999 ? C3 EPE A 136 mPRO.A 6 2.77 -0.02 55.10 3.14 0.48 54.32 2.52 -2.38 55.09 3.65 -2.49 54.62 1.78 -1.07 55.02 1.21 -0.90 53.63 3 0 9.09-999 ?-999 ?-999 ? C7 EPE A 136 mILE.A 7 1.86 -3.41 55.61 0.92 -3.20 55.89 1.44 -5.76 55.27 0.73 -6.36 56.05 2.46 -4.73 55.75 2.92 -5.02 57.18 3 0 -7.50-999 ?-999 ?-999 ? C7 EPE A 136s mPRO.A 8 1.34 -5.97 53.94 1.84 -5.32 53.36 1.05 -8.40 53.95 2.27 -8.61 54.07 0.55 -7.07 53.42 0.71 -6.98 51.90 3 0 10.71-999 ?-999 ?-999 ? C8 EPE A 136 mPHE^A 9 0.12 -9.30 54.21 -0.82 -8.97 54.07 0.71 -11.53 53.46 0.05 -11.44 52.44 0.44 -10.65 54.67 -0.71 -11.26 55.42 3 0 10.80-999 ?-999 ?-999 ? C8 EPE A 136 mVAL^A 10 1.72 -12.38 53.58 2.17 -12.34 54.47 2.27 -14.71 53.00 2.61 -14.94 54.16 2.12 -13.29 52.49 3.41 -12.80 51.76 3 0 13.47-999 ?-999 ?-999 ? C8 EPE A 136 mARG.A 11 2.00 -15.69 52.13 1.74 -15.37 51.22 3.53 -17.60 52.60 3.85 -18.43 53.45 2.08 -17.10 52.53 1.27 -17.96 51.56 2 0 15.96-999 ?-999 ?-999 ? C8 EPE A 136 mASP~A 12 4.39 -17.06 51.76 4.02 -16.28 51.24 6.65 -16.34 51.43 6.59 -15.67 50.40 5.76 -17.56 51.60 5.82 -18.50 50.38 2 0 16.76-999 ?-999 ?-999 ? C8 EPE A 136 mILE~A 13 7.43 -16.01 52.45 7.39 -16.65 53.22 9.34 -14.87 51.31 9.62 -13.88 50.66 8.26 -14.81 52.41 8.88 -14.52 53.81 3 0 14.57-999 ?-999 ?-999 ? C5 EPE A 136 mASN~A 14 9.89 -16.04 51.06 9.58 -16.79 51.64 10.31 -15.89 48.60 10.91 -15.15 47.80 10.88 -16.13 50.00 11.60 -17.48 50.12 2 0 17.56-999 ?-999 ?-999 ? C5 EPE A 136 mARG~A 15 9.14 -16.45 48.33 8.74 -17.00 49.06 8.14 -14.77 46.87 8.38 -14.20 45.82 8.53 -16.24 47.01 7.34 -17.18 46.78 2 0 19.74-999 ?-999 ?-999 ? C5 EPE A 136 mSER~A 16 7.61 -14.15 47.91 7.47 -14.73 48.72 8.46 -11.80 47.81 8.43 -10.76 47.14 7.25 -12.74 47.84 6.32 -12.37 48.99 2 0 17.03-999 ?-999 ?-999 ? C7 EPE A 136 mLYS~A 17 9.50 -12.11 48.57 9.37 -12.93 49.13 11.36 -11.32 47.14 11.74 -10.28 46.60 10.74 -11.32 48.55 11.72 -11.86 49.58 2 0 16.34-999 ?-999 ?-999 ? C5 EPE A 136 mSER~A 18 11.44 -12.52 46.56 11.08 -13.28 47.10 11.17 -11.98 44.16 11.69 -11.37 43.25 12.02 -12.68 45.24 12.31 -14.15 44.91 2 0 20.10-999 ?-999 ?-999 ? C5 EPE A 136 mPHE~A 19 9.84 -12.04 44.28 9.52 -12.61 45.03 9.23 -9.79 43.42 9.45 -9.14 42.38 8.97 -11.31 43.37 7.52 -11.60 43.74 3 0 20.72-999 ?-999 ?-999 ? C7 EPE A 136 mTYR~A 20 9.16 -9.22 44.63 9.04 -9.86 45.39 10.68 -7.26 44.41 10.83 -6.20 43.80 9.29 -7.76 44.76 8.82 -7.28 46.15 3 0 18.54-999 ?-999 ?-999 ? C7 EPE A 136 mARG~A 21 11.68 -8.05 44.79 11.37 -8.85 45.31 13.34 -7.97 43.00 13.65 -7.00 42.29 13.08 -7.78 44.49 13.97 -8.73 45.31 2 0 19.74-999 ?-999 ?-999 ? C3 EPE A 136 mASP~A 22 13.14 -9.19 42.51 12.68 -9.79 43.17 12.70 -9.06 40.00 13.19 -8.75 38.91 13.56 -9.59 41.12 13.58 -11.12 40.88 2 0 23.46-999 ?-999 ?-999 ? C5 EPE A 136 mARG~A 23 11.39 -9.04 40.22 11.09 -9.31 41.13 10.22 -7.15 39.27 10.31 -6.46 38.28 10.49 -8.63 39.16 9.19 -9.48 39.09 2 0 24.32-999 ?-999 ?-999 ? C7 EPE A 136 mLEU.A 24 9.87 -6.65 40.47 9.87 -7.31 41.23 10.75 -4.34 40.81 10.64 -3.14 40.64 9.54 -5.22 40.59 8.50 -4.96 41.68 3 0 22.39-999 ?-999 ?-999 ? C7 EPE A 136 mGLY.A 25 11.92 -4.90 41.09 11.90 -5.89 41.19 13.19 -3.32 42.56 13.87 -2.31 42.64 13.11 -4.09 41.26-999.99-999.99-999.99 1 0 22.30-999 ?-999 ?-999 ? C3 EPE A 136 mLEU.A 26 12.49 -3.78 43.60 11.90 -4.57 43.41 13.91 -3.56 45.55 14.45 -4.60 45.20 12.61 -3.14 44.90 11.43 -3.51 45.80 3 0 18.62-999 ?-999 ?-999 ? C3 EPE A 136 mLYS.A 27 14.43 -2.71 46.44 13.86 -1.90 46.57 15.38 -3.24 48.60 14.62 -2.50 49.23 15.70 -2.95 47.14 16.58 -1.70 47.05 2 0 17.67-999 ?-999 ?-999 ? N1 EPE A 136 mILE^A 28 15.89 -4.35 49.10 16.39 -4.92 48.45 16.49 -3.70 51.41 17.71 -3.50 51.23 15.72 -4.66 50.51 16.11 -6.12 50.80 3 0 14.58-999 ?-999 ?-999 ? N1 EPE A 136 mLEU^A 29 15.79 -3.09 52.36 14.81 -3.23 52.27 16.85 -3.14 54.60 17.99 -3.04 55.08 16.40 -2.28 53.42 15.42 -1.18 53.84 3 0 11.71-999 ?-999 ?-999 ? O2S EPE A 136 mGLU^A 30 15.96 -4.03 55.06 15.08 -3.98 54.58 15.45 -6.26 55.96 14.26 -6.20 55.68 16.23 -4.97 56.16 15.75 -4.35 57.47 2 0 9.33-999 ?-999 ?-999 ? O2S EPE A 136 mASP^A 31 16.08 -7.41 56.15 17.04 -7.28 56.40 15.59 -9.34 57.38 16.69 -9.60 57.85 15.46 -8.71 56.01 16.17 -9.53 54.92 2 0 10.24-999 ?-999 ?-999 ? O3S EPE A 136 mPHE.A 32 14.45 -9.55 58.04 13.63 -9.24 57.56 14.05 -11.65 59.31 14.05 -12.32 60.35 14.43 -10.17 59.36 13.39 -9.48 60.24 3 0 8.03-999 ?-999 ?-999 ? O3S EPE A 136 mGLY.A 33 13.82 -12.19 58.12 14.00 -11.58 57.35 11.86 -13.52 57.63 11.48 -13.56 56.47 13.34 -13.55 57.96-999.99-999.99-999.99 1 0 11.44-999 ?-999 ?-999 ? C10 EPE A 136 mSER.A 34 11.02 -13.42 58.65 11.46 -13.33 59.54 9.04 -12.09 57.93 7.92 -12.00 57.46 9.56 -13.44 58.44 8.84 -13.81 59.73 2 0 9.76-999 ?-999 ?-999 ? C5 EPE A 136 mPHE^A 35 9.87 -11.06 58.02 10.79 -11.33 58.30 10.55 -9.07 56.90 11.72 -9.20 57.23 9.46 -9.67 57.73 9.31 -8.93 59.08 3 0 7.41-999 ?-999 ?-999 ? C5 EPE A 136 mVAL^A 36 10.18 -8.38 55.83 9.19 -8.36 55.69 10.69 -6.29 54.74 9.55 -6.02 54.38 11.11 -7.74 54.96 11.23 -8.48 53.58 3 0 9.47-999 ?-999 ?-999 ? C5 EPE A 136 mLEU^A 37 11.62 -5.37 54.99 12.45 -5.74 55.39 12.16 -3.62 53.43 13.36 -3.95 53.28 11.44 -3.95 54.71 12.06 -3.10 55.79 3 0 9.06-999 ?-999 ?-999 ? C3 EPE A 136 mPHE^A 38 11.47 -2.92 52.54 10.51 -2.78 52.79 12.29 -0.92 51.38 11.62 -0.20 52.12 12.05 -2.41 51.32 11.19 -2.72 50.10 3 0 12.38-999 ?-999 ?-999 ? C3 EPE A 136 mGLU.A 39 13.22 -0.45 50.56 13.77 -1.15 50.12 12.05 1.50 49.72 11.32 0.77 49.03 13.38 0.99 50.33 14.57 1.28 49.42 2 0 14.35-999 ?-999 ?-999 ? C3 EPE A 136 mTHR.A 40 11.75 2.73 50.04 12.44 3.12 50.66 9.34 3.15 50.39 8.27 3.56 50.01 10.61 3.50 49.62 10.43 3.56 48.06 2 0 15.01-999 ?-999 ?-999 ? C3 EPE A 136 mGLY.A 41 9.47 2.48 51.52 10.38 2.07 51.62 7.45 1.19 52.33 6.32 1.27 52.79 8.41 2.35 52.51-999.99-999.99-999.99 1 0 11.63-999 ?-999 ?-999 ? C3 EPE A 136 mPHE.A 42 7.84 0.19 51.58 8.73 0.32 51.14 7.59 -2.10 52.30 8.78 -2.12 52.62 7.02 -0.99 51.41 7.07 -1.43 49.94 3 0 11.57-999 ?-999 ?-999 ? C3 EPE A 136 mALA^A 43 6.71 -2.99 52.74 5.77 -2.83 52.44 6.18 -5.28 53.39 5.09 -5.09 52.88 7.12 -4.11 53.58 7.13 -3.71 55.05 2 0 9.16-999 ?-999 ?-999 ? C7 EPE A 136 mILE^A 44 6.65 -6.49 53.72 7.60 -6.48 54.03 6.12 -8.54 54.88 7.23 -8.49 55.42 5.83 -7.71 53.64 6.14 -8.54 52.36 3 0 9.55-999 ?-999 ?-999 ? C7 EPE A 136 mHIS^A 45 5.15 -9.35 55.30 4.30 -9.31 54.77 4.67 -11.55 56.23 3.55 -11.59 55.73 5.35 -10.22 56.45 4.75 -9.59 57.73 3 0 8.25-999 ?-999 ?-999 ? C8 EPE A 136 mGLU^A 46 5.34 -12.65 56.57 6.29 -12.50 56.82 3.43 -13.84 57.42 3.48 -13.33 58.54 4.68 -13.95 56.56 5.63 -15.03 57.02 2 0 10.74-999 ?-999 ?-999 ? C8 EPE A 136 mGLY~A 47 2.31 -14.31 56.90 2.43 -14.92 56.11 0.68 -14.63 58.77 0.15 -13.99 59.67 1.01 -13.95 57.46-999.99-999.99-999.99 1 0 10.83-999 ?-999 ?-999 ? C8 EPE A 136 mARG~A 48 0.94 -15.93 58.89 1.41 -16.34 58.11 1.26 -16.10 61.33 0.64 -15.94 62.38 0.53 -16.63 60.10 0.70 -18.14 59.97 2 0 12.25-999 ?-999 ?-999 ? C8 EPE A 136 mSER~A 49 2.55 -15.82 61.21 2.94 -16.01 60.31 2.81 -13.93 62.75 2.68 -13.65 63.93 3.30 -15.30 62.35 4.80 -15.25 62.06 2 0 9.92-999 ?-999 ?-999 ? C8 EPE A 136 mLEU~A 50 2.51 -13.05 61.79 2.66 -13.36 60.85 0.56 -11.83 62.70 0.24 -11.13 63.66 1.99 -11.74 62.17 2.10 -10.76 61.00 3 0 6.85-999 ?-999 ?-999 ? C8 EPE A 136 mGLU~A 51 -0.29 -12.69 62.13 0.05 -13.14 61.32 -1.52 -13.35 64.16 -2.28 -12.89 65.02 -1.63 -12.90 62.72 -2.44 -13.93 61.94 2 0 9.71-999 ?-999 ?-999 ? C8 EPE A 136 mGLU~A 52 -0.63 -14.30 64.45 -0.11 -14.64 63.67 -0.01 -13.63 66.73 -0.47 -13.48 67.86 -0.48 -14.76 65.84 0.44 -15.97 65.93 2 0 10.75-999 ?-999 ?-999 ? O8 EPE A 136 mTHR~A 53 0.92 -12.82 66.24 1.24 -13.07 65.33 0.26 -10.69 67.37 0.18 -10.22 68.50 1.39 -11.65 67.03 2.49 -10.91 66.27 2 0 7.49-999 ?-999 ?-999 ? O8 EPE A 136 mILE~A 54 -0.59 -10.40 66.39 -0.43 -10.89 65.54 -2.84 -9.99 67.39 -3.28 -9.36 68.37 -1.66 -9.42 66.59 -2.17 -8.92 65.24 3 0 7.59-999 ?-999 ?-999 ? O8 EPE A 136 mTRP~A 55 -3.38 -11.12 66.93 -2.83 -11.56 66.23 -4.50 -12.90 68.30 -5.49 -13.38 68.87 -4.65 -11.67 67.43 -5.56 -12.02 66.25 3 0 11.41-999 ?-999 ?-999 ? O8 EPE A 136 mARG.A 56 -3.28 -13.42 68.41 -2.58 -12.93 67.90 -3.77 -15.85 68.64 -3.95 -16.85 69.32 -3.04 -14.64 69.23 -3.43 -14.45 70.72 2 0 12.84-999 ?-999 ?-999 ? O8 EPE A 136 mTHR.A 57 -4.17 -15.78 67.39 -4.05 -14.88 66.96 -4.61 -16.71 65.21 -4.51 -15.58 64.76 -4.73 -16.93 66.72 -6.19 -17.22 67.15 2 0 14.95-999 ?-999 ?-999 ? O8 EPE A 136 mSER.A 58 -4.55 -17.81 64.47 -4.45 -18.65 65.01 -5.16 -19.15 62.56 -4.90 -20.15 63.22 -4.64 -17.79 63.01 -3.27 -17.50 62.38 2 0 15.40-999 ?-999 ?-999 ? C8 EPE A 136 mSER.A 59 -5.92 -19.18 61.47 -6.34 -18.30 61.24 -5.27 -20.38 59.43 -4.32 -19.61 59.32 -6.11 -20.42 60.70 -7.57 -20.65 60.32 2 0 18.56-999 ?-999 ?-999 ? C8 EPE A 136 mGLN.A 62 -6.38 -21.16 55.21 -6.04 -22.05 55.53 -6.83 -19.66 53.24 -5.97 -20.18 52.52 -6.87 -19.87 54.75 -6.04 -18.75 55.36 2 0 20.25-999 ?-999 ?-999 ? C8 EPE A 136 mGLU.A 63 -7.77 -18.84 52.76 -8.44 -18.54 53.44 -6.59 -17.55 51.17 -5.92 -17.15 52.12 -7.81 -18.43 51.39 -9.11 -17.68 51.06 2 0 21.47-999 ?-999 ?-999 ? C8 EPE A 136 mALA.A 64 -6.30 -17.29 49.91 -6.90 -17.75 49.25 -5.37 -15.11 50.28 -6.48 -14.65 50.50 -5.21 -16.41 49.54 -5.20 -16.17 48.03 2 0 20.05-999 ?-999 ?-999 ? C8 EPE A 136 mTYR.A 65 -4.25 -14.49 50.64 -3.41 -14.98 50.39 -4.80 -12.05 50.47 -5.26 -11.04 50.98 -4.30 -13.19 51.34 -2.92 -12.87 51.93 3 0 16.71-999 ?-999 ?-999 ? C8 EPE A 136 mGLY.A 66 -4.68 -12.17 49.17 -4.19 -12.99 48.86 -6.75 -11.15 48.26 -7.36 -12.16 47.89 -5.25 -11.17 48.30-999.99-999.99-999.99 1 0 18.74-999 ?-999 ?-999 ? C8 EPE A 136 mARG.A 67 -7.38 -10.05 48.68 -6.78 -9.25 48.75 -9.59 -8.80 48.49 -10.59 -8.42 49.06 -8.82 -10.04 48.98 -9.05 -10.31 50.48 2 0 20.09-999 ?-999 ?-999 ? C8 EPE A 136 mARG.A 68 -9.14 -8.20 47.40 -8.29 -8.61 47.08 -10.26 -6.00 47.76 -11.39 -5.50 47.73 -9.82 -7.05 46.75 -11.02 -7.50 45.88 2 0 21.95-999 ?-999 ?-999 ? C8 EPE A 136 mASN.A 69 -9.34 -5.63 48.64 -8.44 -6.04 48.51 -8.66 -3.58 49.86 -8.75 -2.81 50.81 -9.69 -4.67 49.70 -9.91 -5.39 51.03 2 0 19.69-999 ?-999 ?-999 ? C8 EPE A 136 mMETA 70 -7.74 -3.48 48.92 -7.82 -4.18 48.21 -5.95 -2.55 47.62 -6.07 -3.56 46.88 -6.70 -2.48 48.92 -5.77 -2.68 50.08 2 0 18.44-999 ?-999 ?-999 ? C7 EPE A 136 mLEU^A 71 -5.26 -1.48 47.30 -5.38 -0.72 47.94 -3.05 -0.92 46.61 -2.94 0.03 47.38 -4.40 -1.40 46.15 -4.96 -0.43 45.11 3 0 19.44-999 ?-999 ?-999 ? C7 EPE A 136 mLEU^A 72 -1.99 -1.58 46.15 -2.22 -2.39 45.62 -0.10 -0.35 45.21 0.03 -0.93 44.12 -0.61 -1.13 46.41 0.28 -2.32 46.72 3 0 17.61-999 ?-999 ?-999 ? C7 EPE A 136 mTYR^A 73 0.17 0.94 45.38 0.19 1.23 46.33 1.89 2.25 44.25 2.42 2.85 45.19 0.41 1.86 44.28 -0.51 3.10 44.41 3 0 20.03-999 ?-999 ?-999 ? C7 EPE A 136 mPHE^A 74 2.51 1.93 43.11 1.90 1.48 42.47 4.01 3.05 41.55 3.12 3.04 40.70 3.92 2.19 42.81 4.68 0.89 42.48 3 0 20.93-999 ?-999 ?-999 ? C7 EPE A 136 mGLU^A 75 5.11 3.78 41.44 5.68 3.76 42.26 6.82 4.13 39.74 7.68 3.77 40.52 5.44 4.54 40.23 5.41 6.06 40.49 2 0 23.87-999 ?-999 ?-999 ? C3 EPE A 136 mHIS^A 76 7.01 4.24 38.44 6.19 4.54 37.94 8.60 5.05 36.83 7.73 5.53 36.11 8.27 3.93 37.80 8.21 2.60 37.07 3 0 25.95-999 ?-999 ?-999 ? C3 EPE A 136 mALA.A 77 9.87 5.39 36.78 10.45 4.90 37.43 10.15 6.11 34.38 10.07 7.03 33.56 10.37 6.40 35.87 11.88 6.62 36.12 2 0 28.66-999 ?-999 ?-999 ? C3 EPE A 136 mASP~A 78 10.15 4.83 34.03 10.30 4.20 34.80 8.95 3.22 32.69 9.31 2.03 32.71 9.97 4.37 32.68 11.30 3.90 32.09 2 0 31.10-999 ?-999 ?-999 ? C3 EPE A 136 mVAL~A 79 7.68 3.60 32.68 7.53 4.58 32.58 6.59 1.65 31.64 6.22 0.51 31.82 6.61 2.64 32.81 5.23 3.32 33.01 3 0 30.52-999 ?-999 ?-999 ? C3 EPE A 136 mASP~A 80 7.03 2.08 30.47 7.29 3.04 30.43 8.14 0.04 29.56 7.86 -1.11 29.25 7.12 1.15 29.33 7.45 1.91 28.05 2 0 33.72-999 ?-999 ?-999 ? C3 EPE A 136 mALA~A 81 9.31 0.41 30.06 9.41 1.39 30.19 9.86 -1.48 31.50 10.06 -2.70 31.44 10.35 -0.58 30.38 11.67 0.09 30.77 2 0 32.63-999 ?-999 ?-999 ? C3 EPE A 136 mALA~A 82 9.23 -0.91 32.53 9.15 0.09 32.48 7.71 -2.72 33.12 7.71 -3.87 33.57 8.71 -1.70 33.64 8.03 -0.81 34.73 2 0 29.21-999 ?-999 ?-999 ? C3 EPE A 136 mPHE~A 83 6.81 -2.29 32.24 6.88 -1.33 31.99 6.44 -4.36 30.94 6.07 -5.53 31.11 5.79 -3.20 31.73 4.82 -2.43 30.84 3 0 30.90-999 ?-999 ?-999 ? C7 EPE A 136 mGLN~A 84 7.42 -4.01 30.10 7.65 -3.04 30.12 8.75 -6.02 30.15 8.75 -7.24 29.85 8.08 -5.01 29.25 9.09 -4.34 28.28 2 0 33.45-999 ?-999 ?-999 ? C7 EPE A 136 mASP~A 85 9.33 -5.51 31.23 9.19 -4.53 31.39 9.25 -7.22 33.05 9.61 -8.38 33.28 10.12 -6.37 32.09 11.35 -5.64 32.72 2 0 30.91-999 ?-999 ?-999 ? C7 EPE A 136 mILE~A 86 8.09 -6.70 33.49 7.87 -5.82 33.08 6.07 -8.16 33.92 5.75 -9.23 34.44 7.23 -7.33 34.49 6.65 -6.25 35.48 3 0 28.31-999 ?-999 ?-999 ? C7 EPE A 136 mALA~A 87 5.40 -7.64 32.89 5.83 -6.84 32.48 4.18 -9.73 32.15 3.26 -10.46 32.53 4.14 -8.24 32.43 3.63 -7.51 31.20 2 0 30.44-999 ?-999 ?-999 ? C7 EPE A 136 mPRO~A 88 5.24 -10.22 31.49 5.96 -9.58 31.24 5.24 -12.58 32.45 4.94 -13.79 32.34 5.23 -11.68 31.22 6.51 -11.89 30.41 3 0 32.21-999 ?-999 ?-999 ? C7 EPE A 136 mHIS~A 89 5.60 -12.04 33.61 5.71 -11.05 33.57 4.73 -12.73 35.86 4.87 -13.22 36.99 5.80 -12.85 34.81 7.14 -12.46 35.40 3 0 29.04-999 ?-999 ?-999 ? C7 EPE A 136 mVAL~A 90 3.66 -12.02 35.52 3.65 -11.68 34.58 1.29 -12.04 35.80 1.19 -12.06 34.59 2.61 -11.76 36.48 2.64 -10.30 37.01 3 0 27.29-999 ?-999 ?-999 ? C7 EPE A 136 mGLU.A 91 0.27 -12.28 36.62 0.53 -12.46 37.56 -1.58 -10.82 36.10 -1.84 -10.20 37.13 -1.09 -12.27 36.16 -1.93 -13.11 37.10 2 0 28.36-999 ?-999 ?-999 ? C7 EPE A 136 mLEU^A 92 -1.71 -10.27 34.90 -1.41 -10.86 34.14 -3.71 -8.87 35.03 -4.47 -9.77 34.71 -2.23 -8.93 34.71 -2.04 -8.42 33.26 3 0 29.29-999 ?-999 ?-999 ? C7 EPE A 136 mILE^A 93 -4.12 -7.76 35.60 -3.38 -7.23 36.02 -5.82 -6.63 34.31 -6.83 -6.93 33.70 -5.50 -7.32 35.63 -5.78 -6.44 36.86 3 0 29.28-999 ?-999 ?-999 ? C7 EPE A 136 mHIS^A 94 -4.92 -5.76 33.85 -4.16 -5.58 34.48 -3.65 -4.63 32.16 -2.77 -4.44 33.02 -5.05 -5.13 32.54 -6.08 -3.97 32.54 3 0 31.86-999 ?-999 ?-999 ? C7 EPE A 136 mPRO^A 95 -3.46 -4.39 30.85 -4.25 -4.55 30.27 -1.95 -2.44 30.57 -2.78 -1.77 31.19 -2.16 -3.92 30.35 -2.18 -4.31 28.86 3 0 33.16-999 ?-999 ?-999 ? C7 EPE A 136 mLEU^A 96 -0.85 -1.93 30.05 -0.30 -2.58 29.52 -1.45 0.31 29.44 -1.45 0.27 28.20 -0.49 -0.56 30.23 0.99 -0.40 29.81 3 0 33.15-999 ?-999 ?-999 ? C7 EPE A 136 mGLU^A 97 -2.27 1.09 30.15 -2.01 1.11 31.12 -3.52 3.20 30.20 -3.38 3.34 31.39 -3.42 1.84 29.58 -4.74 1.08 29.93 2 0 34.77-999 ?-999 ?-999 ? C7 EPE A 136 mARG^A 98 -3.78 4.21 29.39 -3.76 3.98 28.42 -5.36 5.52 30.66 -6.42 5.11 30.18 -4.06 5.53 29.86 -4.10 6.51 28.70 2 0 35.53-999 ?-999 ?-999 ? C7 EPE A 136 mGLN.A 99 -5.27 6.03 31.87 -4.35 6.33 32.11 -7.24 7.40 32.48 -6.81 8.26 31.72 -6.43 6.13 32.77 -5.97 6.10 34.23 2 0 33.82-999 ?-999 ?-999 ? C7 EPE A 136 mALA.A 100 -8.40 7.50 33.11 -8.59 6.75 33.75 -8.67 9.97 33.20 -9.06 10.99 32.67 -9.31 8.62 32.88 -10.60 8.43 33.70 2 0 35.68-999 ?-999 ?-999 ? C7 EPE A 136 mTRP.A 101 -7.70 9.95 34.11 -7.51 9.04 34.48 -5.67 11.39 33.76 -4.90 12.28 34.10 -6.98 11.15 34.52 -6.70 11.09 36.02 3 0 -34.45-999 ?-999 ?-999 ? C7 EPE A 136s mGLY.A 102 -5.42 10.58 32.73 -6.03 9.79 32.67 -3.05 10.09 32.01 -2.16 10.10 31.16 -4.34 10.84 31.78-999.99-999.99-999.99 1 0 35.77-999 ?-999 ?-999 ? C7 EPE A 136 mGLN.A 103 -2.91 9.45 33.16 -3.71 9.54 33.76 -1.78 7.29 32.94 -2.81 6.64 33.03 -1.72 8.70 33.51 -1.62 8.61 35.04 2 0 32.72-999 ?-999 ?-999 ? C7 EPE A 136 mARG^A 104 -0.66 6.80 32.39 0.08 7.47 32.32 -0.11 4.52 33.08 0.92 4.78 33.73 -0.55 5.43 31.94 0.46 5.35 30.80 2 0 32.77-999 ?-999 ?-999 ? C7 EPE A 136 mVAL^A 105 -0.92 3.48 33.34 -1.73 3.43 32.76 -0.95 1.12 33.96 -1.75 0.91 33.07 -0.63 2.52 34.39 -1.41 2.84 35.72 3 0 29.69-999 ?-999 ?-999 ? C7 EPE A 136 mPHE^A 106 -0.35 0.13 34.62 0.42 0.41 35.19 -1.06 -1.80 35.89 -0.54 -1.29 36.87 -0.82 -1.24 34.51 0.11 -2.13 33.66 3 0 28.97-999 ?-999 ?-999 ? C7 EPE A 136 mARG^A 107 -1.88 -2.84 35.98 -2.19 -3.19 35.09 -2.24 -4.92 37.18 -2.48 -5.51 36.11 -2.29 -3.40 37.27 -3.67 -2.92 37.66 2 0 -26.52-999 ?-999 ?-999 ? C7 EPE A 136s mPHE^A 108 -1.89 -5.57 38.29 -1.85 -5.00 39.11 -1.63 -7.50 39.71 -1.73 -6.75 40.66 -1.60 -6.99 38.30 -0.25 -7.28 37.64 3 0 25.45-999 ?-999 ?-999 ? C7 EPE A 136 mTYR^A 109 -1.50 -8.81 39.85 -1.40 -9.30 38.98 -0.08 -9.82 41.60 0.74 -10.22 40.77 -1.49 -9.45 41.16 -2.30 -10.74 41.13 3 0 23.11-999 ?-999 ?-999 ? C7 EPE A 136 mASP.A 110 0.18 -9.70 42.89 -0.50 -9.17 43.40 1.14 -11.81 43.70 0.05 -12.31 43.42 1.37 -10.32 43.47 1.88 -9.51 44.67 2 0 20.44-999 ?-999 ?-999 ? C7 EPE A 136 mPRO.A 111 2.16 -12.55 44.14 3.01 -12.05 44.33 0.89 -14.41 45.26 0.43 -15.54 45.17 2.01 -13.98 44.31 3.38 -14.41 44.85 3 0 20.86-999 ?-999 ?-999 ? C8 EPE A 136 mASP.A 112 0.45 -13.54 46.16 0.91 -12.65 46.11 -1.95 -13.31 46.65 -2.96 -13.51 47.35 -0.60 -13.85 47.12 -0.26 -13.28 48.50 2 0 18.85-999 ?-999 ?-999 ? C8 EPE A 136 mGLY.A 113 -1.99 -12.65 45.50 -1.11 -12.60 45.01 -3.49 -10.65 45.41 -4.56 -10.13 45.09 -3.21 -12.08 45.00-999.99-999.99-999.99 1 0 20.86-999 ?-999 ?-999 ? C8 EPE A 136 mHIS.A 114 -2.54 -9.98 46.07 -1.72 -10.50 46.31 -2.71 -7.78 45.09 -1.92 -8.11 44.19 -2.76 -8.58 46.38 -1.68 -8.03 47.34 3 0 18.61-999 ?-999 ?-999 ? C8 EPE A 136 mALA^A 115 -3.51 -6.72 44.97 -4.05 -6.52 45.78 -2.51 -4.85 43.79 -2.38 -4.10 44.78 -3.59 -5.92 43.77 -4.99 -5.30 43.64 2 0 20.97-999 ?-999 ?-999 ? C7 EPE A 136 mILE^A 116 -1.79 -4.77 42.69 -2.09 -5.41 41.98 -0.96 -2.97 41.29 -1.56 -3.41 40.32 -0.67 -3.87 42.49 0.64 -4.68 42.25 3 0 21.04-999 ?-999 ?-999 ? C7 EPE A 136 mGLU^A 117 -0.60 -1.69 41.39 -0.35 -1.42 42.32 0.82 -0.22 40.12 1.42 0.17 41.12 -0.56 -0.78 40.24 -1.57 0.36 40.47 2 0 -23.45-999 ?-999 ?-999 ? C7 EPE A 136s mVAL^A 118 1.31 -0.19 38.87 0.77 -0.69 38.20 2.15 1.57 37.51 1.71 1.26 36.41 2.53 0.52 38.52 3.62 -0.42 37.99 3 0 24.76-999 ?-999 ?-999 ? C7 EPE A 136 mGLY^A 119 2.37 2.82 37.87 2.76 2.92 38.79 3.30 4.74 36.65 4.32 4.73 37.37 2.08 3.95 37.01-999.99-999.99-999.99 1 0 27.14-999 ?-999 ?-999 ? C7 EPE A 136 mGLU^A 120 3.18 5.48 35.55 2.35 5.34 35.00 4.31 7.47 36.32 3.32 7.79 36.98 4.23 6.43 35.23 4.03 7.08 33.87 2 0 29.30-999 ?-999 ?-999 ? C3 EPE A 136 mSER.A 121 5.49 8.04 36.48 6.18 7.78 35.80 4.90 10.21 37.37 4.67 10.67 36.24 5.76 8.97 37.55 7.26 9.34 37.55 2 0 27.98-999 ?-999 ?-999 ? C3 EPE A 136 mLEU.A 122 4.40 10.72 38.49 4.60 10.18 39.31 4.50 13.05 39.16 4.49 14.19 38.69 3.64 11.95 38.53 2.36 11.75 39.36 3 0 -28.75-999 ?-999 ?-999 ? C3 EPE A 136s