HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JAN-04 1S7I COMPND HYPOTHETICAL PROTEIN PA1349; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 STRAIN: PA1349; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); 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: PET15B AUTHOR R.ZHANG,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) mLEU.A 1 -19.42 30.60 -46.65 -20.22 30.40 -47.21 -18.68 31.25 -44.40 -19.71 31.90 -44.21 -18.22 30.91 -45.81 -17.42 32.08 -46.40 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 2 -17.91 30.82 -43.42 -17.09 30.32 -43.71 -17.25 32.02 -41.40 -16.09 32.08 -41.81 -18.24 31.06 -42.03 -18.23 29.75 -41.25 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 3 -17.71 32.78 -40.41 -18.68 32.66 -40.20 -15.77 32.79 -39.10 -16.10 31.70 -38.62 -16.83 33.70 -39.71 -17.59 34.42 -38.60 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 4 -14.51 33.20 -39.10 -14.34 34.11 -39.48 -13.10 32.44 -37.09 -12.40 33.35 -36.65 -13.48 32.33 -38.56 -12.23 32.39 -39.44 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 5 -13.60 31.43 -36.37 -14.14 30.80 -36.93 -12.91 32.27 -33.96 -13.08 33.48 -34.12 -13.42 31.23 -34.94-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.A 6 -12.30 31.73 -32.90 -12.27 30.74 -32.94 -12.75 32.85 -30.73 -12.97 34.02 -30.42 -11.71 32.48 -31.79 -10.96 33.73 -32.29 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 7 -13.39 31.82 -30.18 -13.13 30.93 -30.56 -13.59 32.03 -27.82 -12.88 31.08 -27.50 -14.38 31.99 -29.12 -15.32 30.79 -29.08 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 8 -13.70 33.13 -27.07 -14.31 33.83 -27.45 -13.89 33.20 -24.58 -15.06 33.61 -24.63 -12.98 33.26 -25.81 -12.18 34.55 -25.80 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 9 -13.36 32.67 -23.49 -12.40 32.40 -23.59 -13.27 32.92 -21.05 -12.07 32.63 -20.99 -14.11 32.52 -22.25 -14.54 31.07 -22.08 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 10 -13.90 33.58 -20.08 -14.86 33.78 -20.28 -13.60 32.95 -17.77 -14.78 32.77 -17.44 -13.22 33.98 -18.85 -13.64 35.39 -18.43 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 11 -12.61 32.26 -17.23 -11.70 32.48 -17.60 -12.49 31.91 -14.86 -11.32 32.09 -14.53 -12.85 31.26 -16.20 -11.99 30.03 -16.45 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 12 -13.54 32.27 -14.11 -14.42 32.03 -14.52 -13.28 31.98 -11.66 -14.15 31.15 -11.44 -13.40 32.95 -12.83 -14.61 33.88 -12.62 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 13 -12.19 32.12 -10.92 -11.58 32.85 -11.22 -12.39 31.92 -8.49 -11.84 32.92 -8.03 -11.90 31.26 -9.77 -10.40 30.97 -9.70 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 14 -13.42 31.32 -7.91 -13.73 30.49 -8.40 -13.84 30.86 -5.51 -13.96 29.64 -5.64 -14.05 31.80 -6.69 -15.56 31.96 -6.93 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 15 -13.52 31.43 -4.35 -13.42 32.42 -4.39 -13.30 31.52 -1.91 -12.94 32.69 -1.99 -13.35 30.64 -3.14 -12.10 29.75 -3.21 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 16 -13.69 30.95 -0.78 -13.97 30.00 -0.88 -12.25 31.83 0.97 -11.59 30.85 1.30 -13.70 31.66 0.49 -14.49 30.83 1.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 17 -11.77 33.07 1.02 -12.41 33.78 0.72 -10.17 32.85 2.90 -9.08 32.38 3.23 -10.40 33.34 1.48 -10.10 34.83 1.43 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 -11.20 32.97 3.73 -12.02 33.35 3.31 -10.90 31.10 5.35 -10.83 30.65 6.49 -11.12 32.58 5.13 -12.37 33.02 5.86 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 19 -10.79 30.34 4.27 -10.85 30.82 3.40 -9.27 28.43 3.81 -9.06 27.24 3.62 -10.59 28.91 4.40 -11.77 28.17 3.77 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 20 -8.38 29.38 3.53 -8.69 30.31 3.71 -6.13 28.79 4.18 -5.00 28.35 4.02 -7.05 29.06 3.00 -6.51 30.23 2.18 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 21 -6.64 29.08 5.37 -7.57 29.46 5.35 -6.02 27.40 6.93 -5.08 26.77 7.43 -5.89 28.87 6.59 -6.46 29.72 7.71 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 22 -7.19 26.85 6.64 -7.85 27.48 6.23 -6.72 24.52 5.96 -6.47 23.35 6.29 -7.47 25.45 6.91 -8.98 25.20 6.80 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 23 -6.36 25.02 4.79 -6.61 25.98 4.64 -4.16 24.14 4.12 -3.48 25.17 4.18 -5.64 24.21 3.81 -5.81 24.76 2.38 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 24 -3.63 22.92 4.32 -4.28 22.16 4.24 -1.35 23.50 3.61 -1.52 23.35 2.40 -2.21 22.76 4.62 -2.02 21.25 4.58 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 25 -0.43 24.30 4.12 -0.41 24.30 5.12 1.17 24.33 2.18 1.39 24.88 1.10 0.47 25.10 3.30 1.51 25.76 4.19 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 26 1.51 23.07 2.43 1.27 22.74 3.34 1.31 21.89 0.25 1.75 21.84 -0.89 2.21 22.29 1.42 2.83 21.04 2.05 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 27 0.05 21.60 0.56 -0.16 21.66 1.54 -1.29 22.45 -1.27 -1.58 22.37 -2.46 -0.92 21.22 -0.45 -2.16 20.65 0.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 28 -1.26 23.59 -0.60 -1.01 23.49 0.36 -0.48 25.20 -2.23 -0.73 25.84 -3.25 -1.57 24.88 -1.20 -1.60 25.94 -0.09 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 29 0.74 24.75 -1.93 0.79 24.25 -1.07 1.78 24.05 -4.03 2.20 24.41 -5.13 1.88 24.97 -2.81 3.17 24.68 -2.06 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 30 1.22 22.87 -3.82 0.94 22.71 -2.87 0.09 22.51 -5.93 0.35 22.43 -7.14 1.03 21.91 -4.89 0.45 20.62 -4.34 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 31 -1.00 23.11 -5.46 -1.08 23.09 -4.46 -1.28 24.78 -7.21 -1.58 24.91 -8.40 -1.98 23.75 -6.34 -3.10 24.46 -5.53 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 32 -0.36 25.52 -6.60 -0.22 25.32 -5.63 1.24 25.91 -8.41 1.38 26.45 -9.51 0.38 26.54 -7.33 1.28 27.37 -6.39 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 33 1.82 24.75 -8.11 1.63 24.40 -7.19 1.87 23.44 -10.21 2.25 23.55 -11.38 2.66 24.07 -9.08 3.53 23.02 -8.40 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 34 0.77 22.78 -9.86 0.59 22.76 -8.88 -0.64 23.22 -11.76 -0.88 23.00 -12.95 -0.08 22.14 -10.85 -1.23 21.43 -10.16 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 35 -0.83 24.40 -11.19 -0.58 24.44 -10.22 -0.41 26.00 -12.99 -0.81 26.30 -14.11 -1.38 25.52 -11.92 -1.72 26.65 -10.95 2 0 1000.00-999 ?-999 ?-999 ? mMET~A 36 0.88 26.07 -12.65 1.08 25.81 -11.70 1.99 25.46 -14.72 2.07 25.79 -15.90 1.88 26.51 -13.62 3.26 26.70 -12.95 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 37 1.98 24.19 -14.32 1.91 24.07 -13.33 0.86 23.08 -16.21 1.01 22.85 -17.42 2.07 23.09 -15.27 2.16 21.73 -14.54 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 38 -0.33 23.32 -15.66 -0.30 23.49 -14.67 -1.55 24.48 -17.47 -1.95 24.31 -18.61 -1.55 23.33 -16.46 -2.79 23.41 -15.56 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 39 -1.10 25.65 -17.03 -0.81 25.66 -16.07 -0.12 26.52 -19.10 -0.41 26.92 -20.22 -1.03 26.81 -17.92 -0.50 28.03 -17.17 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 40 0.98 25.82 -18.83 1.09 25.56 -17.87 1.30 24.52 -20.88 1.46 24.67 -22.09 1.93 25.47 -19.89 3.19 24.82 -19.30 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 41 0.57 23.54 -20.38 0.52 23.52 -19.38 -1.15 23.33 -22.08 -1.32 23.05 -23.26 -0.10 22.60 -21.26 -0.75 21.50 -20.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 42 -1.86 24.26 -21.44 -1.63 24.38 -20.48 -2.22 25.86 -23.24 -2.73 25.96 -24.35 -2.88 25.03 -22.15 -3.64 25.96 -21.19 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 43 -1.08 26.44 -22.90 -0.77 26.29 -21.96 0.03 26.43 -25.09 -0.19 26.85 -26.22 -0.35 27.25 -23.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS~A 44 0.61 25.25 -24.85 0.72 25.02 -23.89 -0.17 23.93 -26.80 -0.02 23.71 -28.00 1.01 24.39 -25.95 1.78 23.16 -25.43 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 45 -1.34 23.80 -26.17 -1.31 24.03 -25.20 -3.21 24.50 -27.66 -4.04 24.26 -28.52 -2.55 23.37 -26.87 -3.55 22.79 -25.87 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 46 -2.83 25.74 -27.36 -2.15 25.81 -26.63 -4.59 27.53 -27.38 -5.22 28.42 -27.95 -3.39 26.89 -28.06-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS.A 47 -4.91 27.09 -26.17 -4.30 26.37 -25.82 -5.69 28.83 -24.57 -6.49 29.74 -24.39 -6.04 27.63 -25.42 -6.61 26.56 -24.48 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 48 -4.47 28.83 -24.05 -3.91 28.05 -24.31 -3.93 31.28 -23.78 -3.43 31.45 -24.90 -4.01 29.90 -23.17 -2.64 29.54 -22.61 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 49 -4.44 32.26 -23.05 -4.86 31.95 -22.19 -3.74 34.41 -22.29 -2.75 35.13 -22.46 -4.38 33.66 -23.46 -5.78 34.27 -23.73 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 50 -4.30 34.22 -21.09 -5.10 33.62 -21.10 -4.37 34.24 -18.63 -5.43 33.61 -18.67 -3.76 34.85 -19.88 -4.03 36.34 -19.90 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 51 -3.68 34.41 -17.51 -2.82 34.90 -17.63 -3.38 34.58 -15.10 -2.20 34.90 -15.26 -4.16 33.91 -16.23 -4.02 32.39 -16.14 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 52 -4.05 34.80 -13.98 -5.01 34.50 -14.01 -4.16 35.02 -11.55 -5.38 34.80 -11.56 -3.44 35.42 -12.82 -3.51 36.95 -12.91 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 53 -3.40 34.92 -10.47 -2.42 35.04 -10.64 -4.07 36.07 -8.63 -3.22 36.92 -8.93 -3.97 34.64 -9.16 -3.01 33.82 -8.30 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 54 -5.11 36.36 -7.86 -5.75 35.60 -7.69 -4.89 37.76 -5.86 -5.00 36.77 -5.14 -5.28 37.70 -7.33 -6.73 38.16 -7.49 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 55 -4.41 38.92 -5.43 -4.31 39.63 -6.12 -5.42 39.24 -3.31 -6.46 39.42 -3.95 -4.08 39.09 -4.03 -3.19 40.32 -3.83 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 56 -5.39 39.15 -1.99 -4.47 39.00 -1.62 -7.46 40.47 -1.47 -6.96 41.52 -1.89 -6.59 39.26 -1.16 -6.18 39.29 0.31 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 57 -8.77 40.33 -1.25 -9.04 39.43 -0.92 -9.32 42.56 -0.55 -9.76 43.70 -0.73 -9.70 41.43 -1.48 -11.17 41.03 -1.19 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 58 -8.51 42.25 0.46 -8.25 41.29 0.50 -7.15 44.27 0.71 -7.02 45.41 1.16 -8.05 43.26 1.42 -7.27 42.60 2.56 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 59 -6.54 43.84 -0.39 -6.74 42.89 -0.63 -6.43 45.50 -2.21 -5.87 46.37 -2.87 -5.66 44.71 -1.16 -4.59 43.91 -1.91 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 60 -7.71 45.20 -2.36 -8.05 44.49 -1.74 -8.95 47.29 -2.96 -8.97 47.66 -1.78 -8.54 45.88 -3.35 -9.80 45.04 -3.63 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 61 -9.27 48.08 -3.98 -9.16 47.64 -4.87 -10.84 49.58 -4.87 -10.65 49.18 -6.02 -9.74 49.46 -3.83 -8.65 50.48 -4.16 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 62 -11.99 50.12 -4.47 -12.02 50.40 -3.51 -13.41 51.72 -5.71 -13.39 52.57 -4.81 -13.09 50.25 -5.41 -14.36 49.53 -4.88 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 63 -13.68 52.00 -6.98 -13.62 51.21 -7.59 -15.46 53.33 -7.93 -15.82 52.49 -8.76 -14.02 53.34 -7.43 -13.09 53.78 -8.56 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 64 -16.28 54.24 -7.42 -15.87 54.85 -6.74 -18.04 55.71 -8.27 -17.73 56.68 -7.58 -17.67 54.30 -7.84 -18.60 53.83 -6.72 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 65 -18.68 55.81 -9.42 -18.83 54.93 -9.88 -20.56 57.20 -9.43 -21.41 56.38 -9.76 -19.13 57.08 -9.95 -19.12 57.05 -11.48 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 66 -20.82 58.21 -8.60 -20.04 58.80 -8.40 -22.91 59.40 -8.89 -23.40 59.06 -9.97 -22.16 58.38 -8.05 -22.06 58.84 -6.60 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 67 -23.02 60.63 -8.40 -22.61 60.78 -7.50 -22.85 61.86 -10.41 -23.08 61.24 -11.47 -23.71 61.66 -9.17-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 68 -21.84 62.71 -10.27 -21.80 63.16 -9.38 -19.58 62.93 -10.55 -18.51 63.31 -11.03 -20.88 62.95 -11.33-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 69 -19.72 62.47 -9.31 -20.65 62.18 -9.11 -18.03 60.99 -8.25 -18.73 59.98 -8.38 -18.65 62.38 -8.33 -19.21 62.75 -6.96 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 70 -16.72 60.93 -8.03 -16.28 61.82 -7.94 -15.65 59.41 -6.46 -15.03 60.25 -5.81 -16.01 59.66 -7.92 -14.74 59.68 -8.77 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 71 -16.06 58.26 -5.94 -16.56 57.67 -6.57 -14.84 56.70 -4.49 -15.04 55.72 -5.20 -15.77 57.90 -4.55 -17.06 57.58 -3.82 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 72 -13.82 56.80 -3.65 -13.78 57.66 -3.15 -13.09 55.02 -2.15 -13.18 55.66 -1.11 -12.86 55.72 -3.49 -11.43 56.26 -3.54 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 73 -13.20 53.69 -2.20 -13.16 53.29 -3.11 -12.44 51.73 -0.94 -12.10 51.12 -1.95 -13.38 52.93 -0.98 -14.81 52.43 -0.80 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 74 -12.02 51.42 0.28 -12.38 52.01 0.99 -11.89 49.00 0.33 -13.10 48.95 0.50 -11.13 50.31 0.55 -10.67 50.44 2.00 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 75 -11.18 47.95 -0.06 -10.20 48.12 -0.21 -12.47 46.42 -1.61 -12.40 47.26 -2.51 -11.84 46.67 -0.25-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.A 76 -13.14 45.26 -1.76 -13.14 44.70 -0.93 -15.13 45.54 -3.32 -15.61 46.38 -2.55 -13.81 44.84 -2.99 -13.97 43.34 -2.78 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 77 -15.72 45.18 -4.45 -15.22 44.48 -4.96 -18.11 45.51 -3.93 -19.05 46.30 -3.83 -16.97 45.77 -4.91 -17.37 45.20 -6.28 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 78 -18.02 44.39 -3.23 -17.21 43.84 -3.43 -18.55 42.83 -1.43 -17.59 42.16 -1.81 -19.03 44.01 -2.26 -20.32 43.64 -2.97 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 79 -19.22 42.58 -0.32 -19.96 43.22 -0.13 -19.63 40.24 -0.02 -20.83 40.31 -0.27 -18.88 41.45 0.54 -19.34 41.71 1.97 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 80 -18.91 39.14 -0.24 -17.94 39.22 -0.01 -19.00 36.75 0.04 -18.01 36.88 0.75 -19.52 37.93 -0.77 -19.15 37.73 -2.25 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 81 -19.67 35.60 -0.07 -20.47 35.65 -0.67 -17.92 33.92 0.09 -17.00 33.57 0.85 -19.25 34.40 0.66 -20.32 33.31 0.53 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 82 -17.82 33.90 -1.24 -18.66 34.17 -1.70 -16.10 34.75 -2.70 -16.89 35.47 -3.31 -16.60 33.52 -1.94 -16.88 32.39 -2.93 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 83 -14.80 35.00 -2.64 -14.27 34.34 -2.10 -13.55 35.67 -4.63 -13.19 34.51 -4.76 -14.20 36.14 -3.33 -13.13 36.80 -2.45 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 84 -13.41 36.60 -5.58 -13.78 37.50 -5.33 -11.30 36.22 -6.54 -10.69 37.22 -6.15 -12.78 36.31 -6.86 -13.02 37.46 -7.83 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 85 -10.72 35.04 -6.69 -11.30 34.31 -7.04 -8.36 34.67 -7.54 -7.15 34.52 -7.32 -9.31 34.88 -6.37-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY^A 86 -8.88 34.65 -8.76 -9.87 34.78 -8.80 -8.82 34.17 -11.19 -10.05 34.06 -11.14 -8.02 34.45 -9.92-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 87 -8.14 34.06 -12.32 -7.15 34.18 -12.24 -7.91 33.21 -14.63 -6.69 33.33 -14.55 -8.83 33.79 -13.57 -9.44 35.07 -14.15 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 88 -8.54 32.60 -15.63 -9.53 32.57 -15.51 -8.68 32.59 -17.97 -9.90 32.42 -18.00 -7.87 32.04 -16.80 -7.97 30.52 -16.85 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 89 -8.03 33.25 -18.91 -7.05 33.36 -18.73 -8.26 32.78 -21.16 -7.06 32.66 -21.44 -8.71 33.77 -20.09 -8.21 35.17 -20.43 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 90 -9.20 32.06 -21.75 -10.14 32.26 -21.46 -9.73 31.16 -23.98 -10.70 31.92 -24.00 -8.86 31.06 -22.75 -9.09 29.63 -22.20 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 91 -9.38 30.41 -25.00 -8.52 29.90 -24.88 -10.37 28.86 -26.42 -9.45 28.08 -26.21 -10.20 30.35 -26.19 -9.56 31.07 -27.39 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 92 -11.59 28.47 -26.77 -12.25 29.22 -26.87 -12.89 27.03 -28.18 -13.37 28.08 -28.62 -11.93 27.08 -27.00 -12.60 26.50 -25.75 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 93 -13.17 25.84 -28.71 -12.72 25.06 -28.26 -15.51 26.05 -29.48 -16.27 26.52 -30.32 -14.07 25.73 -29.85 -14.00 24.34 -30.49 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 94 -15.87 25.80 -28.23 -15.15 25.41 -27.66 -17.27 26.03 -26.23 -16.28 25.70 -25.57 -17.22 26.09 -27.75 -18.22 25.10 -28.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 95 -18.43 26.35 -25.67 -19.17 26.57 -26.31 -18.29 25.00 -23.61 -17.68 24.92 -22.55 -18.58 26.35 -24.23 -19.99 26.80 -23.82 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 96 -18.71 23.92 -24.27 -19.19 24.10 -25.13 -16.95 22.34 -23.58 -16.51 21.79 -22.58 -18.44 22.60 -23.73 -19.10 21.53 -24.59 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 97 -16.16 22.75 -24.57 -16.61 23.18 -25.35 -14.17 23.46 -23.37 -13.26 23.08 -22.63 -14.73 22.54 -24.45 -14.01 22.80 -25.78 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 98 -14.72 24.67 -23.26 -15.44 24.86 -23.93 -14.52 25.04 -20.83 -13.67 25.19 -19.94 -14.28 25.62 -22.24 -15.02 26.95 -22.40 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 99 -15.65 24.37 -20.65 -16.24 24.32 -21.45 -15.04 22.60 -19.05 -14.72 22.37 -17.88 -15.98 23.76 -19.36 -17.43 23.27 -19.35 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 100 -14.62 21.87 -20.08 -14.98 22.16 -20.96 -12.34 21.23 -19.38 -11.67 20.55 -18.61 -13.70 20.75 -19.89 -13.48 20.01 -21.20 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 101 -11.94 22.41 -19.85 -12.58 22.83 -20.50 -10.85 23.59 -18.03 -10.02 23.34 -17.16 -10.69 23.03 -19.44 -10.31 24.16 -20.41 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 102 -11.93 24.35 -17.81 -12.52 24.47 -18.61 -12.28 23.88 -15.39 -11.85 24.12 -14.26 -12.19 24.94 -16.50 -13.47 25.76 -16.56 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 103 -12.85 22.72 -15.70 -13.16 22.66 -16.65 -11.61 21.19 -14.24 -11.50 20.54 -13.20 -12.98 21.65 -14.72 -13.74 20.46 -15.33 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 104 -10.56 21.52 -14.99 -10.79 22.07 -15.80 -8.33 22.19 -14.03 -7.18 21.92 -13.69 -9.21 21.11 -14.65 -8.50 20.52 -15.87 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 105 -8.85 23.41 -13.90 -9.78 23.51 -14.24 -7.85 24.11 -11.82 -8.80 24.08 -11.04 -8.06 24.49 -13.29 -8.79 25.83 -13.40 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 106 -6.58 23.83 -11.43 -5.92 23.91 -12.17 -6.81 24.20 -8.90 -7.41 23.60 -8.02 -6.20 23.44 -10.07 -4.67 23.54 -10.09 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 107 -6.69 25.54 -8.90 -6.19 25.91 -9.68 -8.75 26.27 -7.68 -9.32 26.57 -6.62 -7.23 26.39 -7.82 -6.82 27.80 -8.24 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 108 -9.40 25.84 -8.76 -8.82 25.63 -9.55 -11.37 24.79 -7.68 -12.53 24.88 -7.29 -10.85 25.70 -8.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~A 109 -10.51 23.90 -7.19 -9.59 23.94 -7.59 -11.08 23.62 -4.80 -11.58 23.01 -3.86 -10.90 22.96 -6.15 -9.88 21.82 -6.08 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 110 -10.67 24.89 -4.69 -10.27 25.26 -5.53 -12.23 26.18 -3.30 -12.62 26.61 -2.21 -10.81 25.63 -3.45 -9.80 26.78 -3.40 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 111 -12.99 26.16 -4.39 -12.56 25.79 -5.20 -15.09 26.28 -5.63 -15.58 25.16 -5.77 -14.36 26.66 -4.35-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mCYH^A 112 -15.17 27.22 -6.56 -14.75 28.09 -6.32 -15.17 27.76 -8.92 -14.31 28.60 -8.65 -15.83 26.95 -7.83 -17.32 27.31 -7.76 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 113 -15.56 27.48 -10.16 -16.22 26.73 -10.23 -16.26 28.59 -12.15 -17.08 27.73 -12.51 -15.05 28.21 -11.31 -14.08 27.36 -12.18 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 114 -16.40 29.88 -12.43 -15.70 30.47 -12.04 -16.95 30.60 -14.65 -15.97 31.34 -14.81 -17.50 30.35 -13.26 -18.07 31.66 -12.70 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 115 -17.56 29.98 -15.65 -18.32 29.40 -15.37 -18.08 31.14 -17.72 -19.28 30.89 -17.83 -17.14 30.16 -17.04 -17.15 28.81 -17.82 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 116 -17.54 32.27 -18.17 -16.56 32.35 -18.01 -17.79 33.64 -20.21 -16.62 33.97 -20.36 -18.33 33.29 -18.83 -18.36 34.58 -18.00 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 117 -18.64 33.56 -21.25 -19.57 33.27 -21.01 -17.99 35.40 -22.67 -18.75 36.17 -22.07 -18.22 33.89 -22.61 -19.42 33.49 -23.46 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 118 -16.96 35.84 -23.39 -16.40 35.13 -23.80 -17.60 37.74 -24.71 -18.11 36.91 -25.48 -16.73 37.28 -23.53 -15.24 37.60 -23.82 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 119 -17.78 39.04 -24.86 -17.33 39.61 -24.17 -17.82 39.61 -27.27 -18.36 39.27 -28.32 -18.59 39.56 -25.96 -19.10 40.96 -25.64 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 120 -16.56 40.02 -27.19 -16.25 40.23 -26.26 -15.47 38.85 -29.14 -14.97 37.87 -28.57 -15.72 40.15 -28.38 -14.35 40.75 -28.01 2 0 1000.00-999 ?-999 ?-999 ? mTRP.A 121 -15.81 38.86 -30.42 -16.22 39.71 -30.74 -14.58 38.12 -32.34 -14.93 38.76 -33.33 -15.59 37.69 -31.27 -16.90 37.23 -31.92 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 122 -13.32 37.77 -32.09 -13.22 37.26 -31.24 -12.05 37.07 -34.12 -12.06 35.86 -33.88 -12.20 38.08 -32.97 -10.92 38.13 -32.13 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 123 -11.90 37.56 -35.34 -11.91 38.56 -35.40 -12.19 37.33 -37.79 -12.19 38.55 -37.90 -11.75 36.68 -36.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.A 124 -12.58 36.51 -38.77 -12.53 35.54 -38.53 -13.61 35.88 -40.95 -14.42 36.19 -41.86 -13.03 37.00 -40.07 -11.87 37.69 -40.80 2 0 1000.00-999 ?-999 ?-999 ?