HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-APR-07 2PJS COMPND UNCHARACTERIZED PROTEIN ATU1953; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: AGR_C_3564P; 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: ATU1953, AGR_C_3564; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: PET DERIVATIVE AUTHOR C.CHANG,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 28 8 HET MSE A 32 8 HET MSE B 28 8 HET MSE B 32 8 HET ZN B 117 1 SITE 1 AC1 6 GLU A 45 HOH A 132 HOH A 157 HOH A 158 mALA.A 2 31.17 27.16 26.86 30.89 27.44 25.94 30.88 27.60 29.25 30.93 28.83 29.19 31.60 26.74 28.23 33.09 26.89 28.38 2 0 30.09-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 3 30.24 26.95 30.20 30.35 25.96 30.18 30.29 28.07 32.37 31.03 27.25 32.94 29.43 27.65 31.19 28.27 26.77 31.65 3 0 26.56-999 ?-999 ?-999 ? ZN ZN B 117 mARG^A 4 30.21 29.35 32.70 29.51 29.86 32.20 30.39 30.06 35.08 31.01 29.80 36.11 31.09 29.93 33.72 31.70 31.25 33.25 2 0 26.27-999 ?-999 ?-999 ? ZN ZN B 117 mARG^A 5 29.11 30.42 35.07 28.74 30.62 34.16 26.86 30.32 35.94 26.41 30.61 34.82 28.33 30.52 36.28 28.57 31.87 37.03 2 0 22.70-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 6 26.15 29.76 36.90 26.69 29.36 37.64 24.24 30.43 38.14 24.67 30.06 39.27 24.71 29.73 36.87 24.20 28.27 36.76 3 0 19.46-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 7 23.36 31.42 37.97 23.10 31.56 37.01 21.31 32.30 38.99 20.72 32.69 37.97 22.83 32.25 39.03 23.38 33.68 38.94 3 0 16.36-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 8 20.67 31.91 40.09 21.27 31.57 40.82 18.86 33.44 40.42 19.56 34.17 41.15 19.22 31.99 40.22 18.77 31.17 41.45 2 0 12.75-999 ?-999 ?-999 ? ZN ZN B 117 mASN^A 9 17.79 33.89 39.78 17.37 33.23 39.15 15.94 35.13 40.66 15.06 34.43 40.15 17.29 35.22 40.00 17.17 35.95 38.66 2 0 10.48-999 ?-999 ?-999 ? ZN ZN B 117 mILE^A 10 15.77 35.82 41.77 16.59 36.33 42.03 13.81 37.16 42.29 14.40 38.21 42.50 14.51 35.82 42.53 14.78 35.53 44.03 3 0 7.04-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 11 12.55 37.12 41.85 12.15 36.21 41.81 11.30 39.03 42.74 10.76 38.37 43.63 11.85 38.35 41.48 10.73 38.01 40.50 2 0 5.63-999 ?-999 ?-999 ? ZN ZN B 117 mTHR.A 12 11.50 40.35 42.83 12.01 40.75 42.07 10.93 42.59 43.62 11.88 43.12 43.00 11.00 41.11 43.96 11.85 40.91 45.27 2 0 6.40-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.A 13 9.86 43.27 44.05 9.12 42.76 44.49 10.93 45.43 44.68 11.17 46.63 44.47 9.88 44.71 43.84 8.48 45.19 44.27 3 0 9.33-999 ?-999 ?-999 ? ZN ZN B 117 mGLU~A 14 11.53 44.73 45.66 11.25 43.77 45.71 13.62 44.42 46.90 13.53 43.70 47.90 12.52 45.39 46.57 11.84 45.93 47.86 2 0 11.15-999 ?-999 ?-999 ? ZN ZN B 117 mPRO~A 15 14.67 44.39 46.06 14.56 44.95 45.24 16.47 43.77 47.68 17.16 42.83 48.14 15.87 43.60 46.30 16.84 44.11 45.22 3 0 11.64-999 ?-999 ?-999 ? ZN ZN B 117 mALA~A 16 16.25 44.92 48.35 15.71 45.59 47.85 16.26 44.14 50.72 16.94 43.90 51.74 16.79 45.13 49.69 16.63 46.57 50.18 2 0 14.30-999 ?-999 ?-999 ? ZN ZN B 117 mARG~A 17 15.10 43.55 50.44 14.65 43.88 49.61 15.46 41.25 51.42 15.30 40.44 52.37 14.54 42.51 51.31 13.12 42.14 50.88 2 0 12.10-999 ?-999 ?-999 ? ZN ZN B 117 mALA~A 18 16.41 41.09 50.51 16.44 41.81 49.82 18.30 40.04 51.70 18.80 39.03 52.20 17.31 39.91 50.57 18.04 39.65 49.20 2 0 12.38-999 ?-999 ?-999 ? ZN ZN B 117 mGLN~A 19 18.58 41.28 52.12 17.99 42.00 51.77 19.56 40.75 54.35 20.54 40.19 54.86 19.69 41.52 53.03 19.82 43.02 53.33 2 0 16.10-999 ?-999 ?-999 ? ZN ZN B 117 mALA~A 20 18.35 40.74 54.89 17.66 41.23 54.35 18.47 38.58 56.19 18.95 38.08 57.20 18.08 40.07 56.17 16.60 40.21 56.52 2 0 16.56-999 ?-999 ?-999 ? ZN ZN B 117 mPHE~A 21 18.32 37.90 55.07 18.04 38.46 54.29 19.88 36.15 54.37 20.72 35.50 54.94 18.55 36.45 55.03 17.41 35.84 54.20 3 0 15.46-999 ?-999 ?-999 ? ZN ZN B 117 mTYR~A 22 20.05 36.59 53.12 19.31 37.16 52.76 22.48 36.96 52.90 23.61 36.41 52.94 21.25 36.23 52.38 21.00 36.47 50.86 3 0 15.94-999 ?-999 ?-999 ? ZN ZN B 117 mGLY~A 23 22.27 38.19 53.36 21.32 38.52 53.31 23.62 38.66 55.32 24.74 38.31 55.67 23.35 38.98 53.87-999.99-999.99-999.99 1 0 18.79-999 ?-999 ?-999 ? ZN ZN B 117 mASP.A 24 22.60 38.75 56.16 21.70 38.86 55.74 23.09 37.25 58.08 24.12 36.94 58.72 22.87 38.68 57.60 21.78 39.42 58.37 2 0 20.57-999 ?-999 ?-999 ? ZN ZN B 117 mILE.A 25 22.17 36.37 57.73 21.45 36.75 57.14 23.23 34.17 57.40 24.00 33.44 58.01 22.20 34.98 58.18 20.81 34.35 58.06 3 0 20.26-999 ?-999 ?-999 ? ZN ZN B 117 mLEU.A 26 23.24 34.28 56.06 22.61 34.97 55.69 25.46 34.12 55.01 26.39 33.46 54.56 24.10 33.44 55.23 23.45 33.06 53.89 3 0 19.99-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 27 25.58 35.41 55.34 24.71 35.84 55.58 27.44 36.31 53.93 28.66 36.17 53.69 26.91 36.10 55.34-999.99-999.99-999.99 1 0 22.30-999 ?-999 ?-999 ? ZN ZN B 117 mMETA 28 26.53 36.60 53.01 25.59 36.65 53.35 26.76 38.31 51.37 25.67 38.79 51.18 26.89 36.81 51.62 25.93 36.08 50.71 2 0 20.69-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.A 29 27.88 39.05 51.34 28.74 38.57 51.50 27.17 40.78 49.67 27.23 39.93 48.77 27.73 40.49 51.07 29.18 41.00 51.16 3 0 21.80-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 30 26.59 41.98 49.49 26.48 42.51 50.32 27.44 42.58 47.27 28.41 43.24 47.66 26.18 42.44 48.14 25.45 43.80 48.21 3 0 20.15-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 31 27.42 41.95 46.09 26.57 41.47 45.88 28.35 43.00 44.07 29.27 43.67 43.62 28.59 41.99 45.20 28.90 40.60 44.63 2 0 21.90-999 ?-999 ?-999 ? ZN ZN B 117 mMETA 32 27.10 43.12 43.65 26.46 42.54 44.15 25.36 44.60 42.95 24.47 43.91 43.45 26.70 44.01 42.57 26.56 43.21 41.27 2 0 20.86-999 ?-999 ?-999 ? ZN ZN B 117 mASP^A 33 25.22 45.90 42.72 26.04 46.37 42.36 23.70 47.50 41.80 24.30 48.56 41.72 23.97 46.57 42.97 24.04 47.34 44.29 2 0 19.66-999 ?-999 ?-999 ? ZN ZN B 117 mHIS.A 34 22.83 47.10 40.87 22.47 46.17 41.02 21.07 48.56 39.94 20.43 49.03 38.98 22.45 47.96 39.72 22.47 47.19 38.40 3 0 19.74-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 35 20.63 48.55 41.19 21.27 48.13 41.84 18.13 48.18 41.28 17.47 47.70 42.20 19.32 49.09 41.58-999.99-999.99-999.99 1 0 17.97-999 ?-999 ?-999 ? ZN ZN B 117 mTRP.A 36 17.86 47.96 40.00 18.43 48.48 39.37 17.20 45.55 39.87 16.33 44.69 39.90 16.82 47.01 39.59 16.43 47.17 38.10 3 0 15.27-999 ?-999 ?-999 ? ZN ZN B 117 mILE^A 37 18.51 45.29 40.03 19.10 46.08 39.89 20.14 44.08 41.44 20.97 44.99 41.36 19.00 43.94 40.40 19.43 43.09 39.13 3 0 14.53-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 38 20.15 43.19 42.42 19.37 42.55 42.41 21.69 41.71 43.49 20.88 40.79 43.50 21.20 43.15 43.42 20.66 43.62 44.80 3 0 15.50-999 ?-999 ?-999 ? ZN ZN B 117 mTHR^A 39 23.00 41.52 43.54 23.56 42.35 43.47 24.24 40.02 45.00 25.11 40.81 45.30 23.53 40.16 43.67 24.54 39.86 42.54 2 0 16.51-999 ?-999 ?-999 ? ZN ZN B 117 mHIS^A 40 23.91 38.98 45.76 23.13 38.45 45.42 25.63 37.56 46.64 25.25 36.63 45.94 24.64 38.66 46.98 23.66 38.18 48.04 3 0 17.49-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 41 26.84 37.62 47.16 27.01 38.39 47.78 28.69 36.17 48.03 28.95 36.96 48.95 27.83 36.60 46.83 28.75 37.13 45.69 2 0 20.39-999 ?-999 ?-999 ? ZN ZN B 117 mSER^A 42 29.15 34.92 47.99 28.88 34.38 47.19 31.42 34.72 48.65 31.73 34.79 47.46 30.00 34.39 49.02 29.86 32.87 49.08 2 0 22.92-999 ?-999 ?-999 ? ZN ZN B 117 mPRO^A 43 32.29 34.89 49.64 31.87 35.01 50.54 34.30 33.66 48.68 35.44 33.69 48.23 33.75 34.89 49.41 34.33 34.97 50.83 3 0 26.65-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 44 33.51 32.59 48.56 32.61 32.72 48.99 32.89 31.04 46.76 31.92 31.76 46.61 33.90 31.35 47.87 33.80 30.18 48.87 3 0 26.87-999 ?-999 ?-999 ? ZN ZN B 117 mGLU^A 45 33.06 30.02 45.92 32.45 29.27 46.20 33.66 28.41 44.42 34.16 27.50 45.08 33.95 29.87 44.76 35.40 30.13 44.99 2 0 -26.94-999 ?-999 ?-999 ? ZN ZN B 117s mALA^A 46 32.79 28.19 43.43 32.59 29.00 42.89 31.89 26.58 41.71 31.62 27.50 40.95 32.20 26.85 43.19 30.93 26.71 44.00 2 0 26.10-999 ?-999 ?-999 ? ZN ZN B 117 mHIS^A 47 31.92 25.30 41.31 32.21 24.65 42.02 30.12 25.33 39.60 29.23 25.29 40.45 31.54 24.91 39.95 31.73 23.41 39.73 3 0 26.53-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 48 29.90 25.73 38.35 30.72 25.75 37.79 27.70 24.83 37.70 28.05 23.93 36.94 28.57 26.09 37.86 28.70 26.79 36.53 2 0 23.84-999 ?-999 ?-999 ? ZN ZN B 117 mGLN^A 49 26.56 24.78 38.38 26.33 25.62 38.87 24.28 23.93 38.53 23.93 25.01 38.98 25.75 23.58 38.38 26.12 22.63 39.52 2 0 22.50-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 50 23.43 22.98 38.16 23.89 22.16 37.81 21.41 21.73 38.44 21.95 20.80 37.85 21.96 23.15 38.26 21.33 23.97 37.06 3 0 19.89-999 ?-999 ?-999 ? ZN ZN B 117 mSER^A 51 20.40 21.56 39.29 19.99 22.40 39.67 18.49 20.07 39.20 17.75 21.06 39.14 19.95 20.20 39.62 20.11 19.90 41.12 2 0 20.26-999 ?-999 ?-999 ? ZN ZN B 117 mPHE^A 52 18.08 18.82 38.92 18.77 18.12 39.11 16.25 17.39 39.24 16.95 16.42 39.40 16.75 18.52 38.39 16.85 18.16 36.88 3 0 20.23-999 ?-999 ?-999 ? ZN ZN B 117 mALA^A 53 15.09 17.57 39.88 14.54 18.35 39.58 13.19 16.34 40.96 12.34 17.21 40.74 14.70 16.65 40.93 15.18 17.19 42.30 2 0 20.52-999 ?-999 ?-999 ? ZN ZN B 117 mARG.A 54 12.85 15.10 41.21 13.60 14.44 41.29 10.87 15.05 42.77 9.65 15.16 42.96 11.42 14.82 41.35 11.06 13.44 40.77 2 0 21.36-999 ?-999 ?-999 ? ZN ZN B 117 mGLU.A 55 11.76 15.11 43.76 12.69 14.91 43.45 12.66 15.99 45.82 13.74 15.92 45.23 11.40 15.43 45.17 10.97 14.18 45.94 2 0 20.61-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 56 12.52 16.52 47.05 11.60 16.47 47.42 14.48 16.10 48.53 15.51 16.45 49.12 13.66 17.13 47.76-999.99-999.99-999.99 1 0 19.83-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 57 14.04 14.83 48.49 13.26 14.69 47.88 13.92 13.53 50.58 13.43 14.47 51.19 14.64 13.75 49.26-999.99-999.99-999.99 1 0 23.58-999 ?-999 ?-999 ? ZN ZN B 117 mSER.A 58 13.86 12.26 51.01 14.37 11.62 50.44 11.63 12.25 52.11 10.93 12.43 53.11 13.11 11.88 52.21 13.74 12.43 53.49 2 0 25.72-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 59 11.20 12.41 50.86 11.92 12.33 50.18 9.44 14.15 50.66 8.29 14.48 50.57 9.80 12.68 50.55-999.99-999.99-999.99 1 0 23.97-999 ?-999 ?-999 ? ZN ZN B 117 mTHR.A 60 10.43 15.03 50.86 11.34 14.61 50.98 9.84 17.06 49.53 10.06 16.41 48.50 10.17 16.48 50.91 11.40 17.28 51.47 2 0 20.51-999 ?-999 ?-999 ? ZN ZN B 117 mASP.A 61 9.31 18.29 49.53 9.07 18.63 50.44 10.49 19.44 47.77 11.44 19.48 48.51 9.12 19.06 48.30 8.35 20.34 48.62 2 0 17.19-999 ?-999 ?-999 ? ZN ZN B 117 mVAL.A 62 10.59 19.74 46.48 9.75 19.69 45.95 12.18 21.51 46.44 11.34 22.40 46.22 11.89 20.11 45.93 11.88 20.12 44.37 3 0 16.23-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.A 63 13.35 21.73 47.09 13.94 20.94 47.25 14.00 23.95 46.27 14.56 23.42 45.32 13.67 23.11 47.50 14.93 22.96 48.39 3 0 14.33-999 ?-999 ?-999 ? ZN ZN B 117 mASP.A 64 13.69 25.25 46.28 13.20 25.53 47.11 15.56 26.28 45.02 16.06 26.29 43.90 14.04 26.17 45.19 13.41 27.52 45.47 2 0 11.50-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 65 16.28 26.31 46.13 15.74 26.25 46.97 18.29 25.52 47.19 17.67 25.37 48.26 17.74 26.43 46.12 18.22 27.85 46.43 3 0 13.83-999 ?-999 ?-999 ? ZN ZN B 117 mSER^A 66 19.45 24.93 46.90 19.73 25.05 45.94 21.50 25.03 48.10 22.24 25.32 47.15 20.24 24.18 47.87 20.66 22.80 47.33 2 0 17.45-999 ?-999 ?-999 ? ZN ZN B 117 mILE^A 67 21.75 25.39 49.35 21.13 24.99 50.03 23.72 25.57 50.67 23.25 25.25 51.76 22.85 26.31 49.68 22.27 27.60 50.33 3 0 18.70-999 ?-999 ?-999 ? ZN ZN B 117 mGLU^A 68 24.92 25.22 50.23 25.11 25.48 49.28 26.68 25.50 51.89 27.23 26.49 51.37 25.87 24.51 51.05 26.81 23.69 50.18 2 0 22.47-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 69 26.75 25.23 53.19 26.26 24.40 53.47 28.54 25.29 54.83 28.41 24.09 54.94 27.47 26.09 54.11 26.54 26.73 55.16 3 0 24.19-999 ?-999 ?-999 ? ZN ZN B 117 mASP.A 70 29.58 25.96 55.31 29.51 26.96 55.20 30.72 25.18 57.47 31.72 24.70 58.05 30.71 25.29 55.93 32.00 26.01 55.52 2 0 27.92-999 ?-999 ?-999 ? ZN ZN B 117 mASN~A 71 29.71 25.74 58.11 29.07 26.23 57.51 28.04 25.60 59.79 27.40 26.63 60.06 29.54 25.64 59.55 30.10 26.85 60.30 2 0 28.61-999 ?-999 ?-999 ? ZN ZN B 117 mPHE~A 72 27.49 24.42 59.70 28.15 23.68 59.55 25.47 24.66 61.18 24.38 25.24 61.29 26.04 24.24 59.82 25.70 22.78 59.55 3 0 26.76-999 ?-999 ?-999 ? ZN ZN B 117 mASP~A 73 26.19 24.33 62.24 27.08 23.90 62.06 25.54 26.13 63.79 24.56 26.61 64.39 25.64 24.63 63.56 26.35 23.86 64.66 2 0 28.72-999 ?-999 ?-999 ? ZN ZN B 117 mGLU~A 74 26.51 26.87 63.26 27.24 26.34 62.81 25.39 28.99 62.51 24.82 29.99 62.95 26.50 28.31 63.34 27.88 28.88 63.03 2 0 27.92-999 ?-999 ?-999 ? ZN ZN B 117 mVAL~A 75 25.05 28.42 61.34 25.61 27.63 61.09 22.62 28.59 61.20 21.72 29.42 61.25 23.95 28.92 60.53 24.00 28.38 59.07 3 0 24.11-999 ?-999 ?-999 ? ZN ZN B 117 mHIS~A 76 22.54 27.39 61.75 23.36 26.83 61.63 21.03 27.91 63.63 19.90 28.32 63.82 21.33 26.96 62.46 21.55 25.50 62.92 3 0 24.50-999 ?-999 ?-999 ? ZN ZN B 117 mALA~A 77 22.05 28.28 64.37 22.93 27.92 64.06 21.49 30.53 65.06 20.63 31.15 65.67 21.89 29.14 65.53 23.18 29.20 66.35 2 0 26.55-999 ?-999 ?-999 ? ZN ZN B 117 mARG~A 78 22.06 31.00 63.94 22.72 30.39 63.51 20.24 32.39 63.05 19.55 33.37 63.32 21.69 32.33 63.44 22.55 32.73 62.24 2 0 24.14-999 ?-999 ?-999 ? ZN ZN B 117 mILE~A 79 19.79 31.34 62.36 20.49 30.64 62.19 17.46 31.24 63.12 16.47 32.00 63.16 18.40 31.21 61.91 18.20 29.88 61.10 3 0 21.28-999 ?-999 ?-999 ? ZN ZN B 117 mLEU~A 80 17.78 30.44 64.12 18.58 29.88 63.96 16.99 31.78 66.05 15.93 32.26 66.49 16.98 30.43 65.35 17.44 29.33 66.29 3 0 23.79-999 ?-999 ?-999 ? ZN ZN B 117 mLYS~A 81 18.15 32.40 66.15 18.93 31.90 65.77 17.45 34.81 66.06 16.95 35.74 66.70 18.24 33.72 66.80 19.70 34.13 67.03 2 0 25.13-999 ?-999 ?-999 ? ZN ZN B 117 mALA~A 82 17.32 34.66 64.75 17.84 33.88 64.38 15.00 35.22 64.02 14.15 35.95 63.49 16.49 35.55 63.92 16.95 35.48 62.47 2 0 21.70-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 83 14.67 34.14 64.71 15.46 33.62 65.03 12.58 33.18 63.72 11.33 33.20 63.64 13.27 33.76 64.94-999.99-999.99-999.99 1 0 21.67-999 ?-999 ?-999 ? ZN ZN B 117 mLEU.A 84 13.36 32.66 62.76 14.34 32.70 62.96 12.28 30.67 61.78 13.02 29.87 62.36 12.76 32.09 61.54 13.75 32.08 60.37 3 0 18.53-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.A 85 11.03 30.35 61.33 10.49 31.07 60.90 11.34 28.06 60.58 11.75 28.48 59.49 10.57 28.97 61.51 9.09 29.01 61.11 3 0 18.89-999 ?-999 ?-999 ? ZN ZN B 117 mILE.A 86 11.56 26.83 61.02 11.20 26.65 61.94 11.22 24.85 59.74 10.48 24.28 60.59 12.28 25.85 60.21 13.41 25.20 61.03 3 0 19.42-999 ?-999 ?-999 ? ZN ZN B 117 mGLU.A 87 11.15 24.63 58.42 11.84 25.10 57.89 10.45 22.28 57.95 9.55 21.46 58.09 10.12 23.77 57.84 9.85 24.17 56.39 2 0 18.34-999 ?-999 ?-999 ? ZN ZN B 117 mTYR^A 88 11.73 21.92 57.88 12.38 22.68 57.81 13.51 20.43 58.51 14.37 21.27 58.18 12.12 20.52 57.90 12.17 20.03 56.43 3 0 20.97-999 ?-999 ?-999 ? ZN ZN B 117 mGLY^A 89 13.76 19.43 59.39 13.00 18.82 59.60 15.31 20.20 61.20 14.33 20.78 61.73 15.09 19.29 59.99-999.99-999.99-999.99 1 0 24.00-999 ?-999 ?-999 ? ZN ZN B 117 mPRO^A 90 16.56 20.33 61.65 16.63 20.92 62.45 17.68 18.14 61.09 17.18 17.54 62.06 17.71 19.66 61.00 18.94 20.24 61.68 3 0 25.36-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^A 91 18.23 17.51 60.05 18.50 18.10 59.29 19.57 15.67 59.18 19.87 16.34 58.19 18.39 16.07 60.06 17.07 15.34 59.68 3 0 27.47-999 ?-999 ?-999 ? ZN ZN B 117 mTHR^A 92 20.25 14.62 59.57 19.97 14.24 60.45 20.76 13.00 57.82 20.20 11.98 58.28 21.33 14.07 58.75 22.47 13.54 59.63 2 0 29.46-999 ?-999 ?-999 ? ZN ZN B 117 mGLU.A 93 20.89 13.23 56.52 21.42 14.05 56.30 21.21 11.17 55.18 22.42 11.28 55.38 20.29 12.33 55.51 19.97 13.10 54.22 2 0 28.88-999 ?-999 ?-999 ? ZN ZN B 117 mALA.A 94 20.62 10.08 54.67 19.64 10.16 54.51 22.47 9.13 53.33 23.47 8.36 53.26 21.38 8.89 54.36 20.46 7.75 53.91 2 0 31.80-999 ?-999 ?-999 ? ZN ZN B 117 mTRP.A 95 22.28 10.16 52.51 21.45 10.69 52.66 24.43 11.27 52.00 25.29 11.69 51.21 23.28 10.42 51.48 22.65 11.00 50.20 3 0 30.59-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 96 24.48 11.51 53.32 23.65 11.27 53.82 25.73 13.62 53.98 26.81 14.23 53.89 25.70 12.10 53.92-999.99-999.99-999.99 1 0 31.27-999 ?-999 ?-999 ? ZN ZN B 117 mVAL.A 97 24.56 14.23 54.12 23.77 13.63 54.03 23.69 15.91 55.65 22.81 15.11 55.99 24.49 15.68 54.38 23.83 16.52 53.24 3 0 28.09-999 ?-999 ?-999 ? ZN ZN B 117 mGLN^A 98 23.96 17.03 56.31 24.79 17.50 56.02 22.36 18.71 56.84 23.00 19.59 56.26 23.08 17.49 57.38 23.92 17.83 58.60 2 0 27.30-999 ?-999 ?-999 ? ZN ZN B 117 mARG^A 99 21.04 18.78 57.00 20.63 18.05 57.54 19.04 20.26 57.08 18.51 19.47 57.89 20.32 19.89 56.37 20.00 19.55 54.90 2 0 23.66-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 100 18.58 21.47 56.77 19.21 22.02 56.24 16.67 22.72 56.02 17.41 23.22 55.16 17.25 21.94 57.18 17.37 22.81 58.44 3 0 21.26-999 ?-999 ?-999 ? ZN ZN B 117 mPHE^A 101 15.34 22.77 55.96 14.87 22.17 56.60 13.99 24.81 55.79 13.38 24.61 56.86 14.65 23.65 55.01 13.49 22.94 54.28 3 0 17.68-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 102 14.05 26.00 55.20 14.67 26.07 54.41 12.91 28.02 54.53 13.47 27.87 53.44 13.26 27.11 55.69 14.01 27.88 56.79 3 0 15.46-999 ?-999 ?-999 ? ZN ZN B 117 mARG^A 103 11.96 28.92 54.78 11.57 28.86 55.70 12.44 31.12 53.80 12.72 31.65 54.88 11.56 29.89 53.77 10.13 30.32 54.02 2 0 11.92-999 ?-999 ?-999 ? ZN ZN B 117 mASP.A 104 12.76 31.66 52.62 12.50 31.11 51.82 12.44 34.14 52.57 11.21 33.91 52.66 13.43 32.97 52.58 14.47 33.00 51.43 2 0 10.62-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.A 105 12.94 35.41 52.52 13.93 35.51 52.43 10.96 36.54 51.45 9.95 37.28 51.53 11.98 36.52 52.59 12.88 37.77 52.49 3 0 9.57-999 ?-999 ?-999 ? ZN ZN B 117 mPHE.A 106 11.21 35.76 50.41 12.00 35.15 50.55 9.59 34.51 49.05 9.01 34.26 47.99 10.41 35.78 49.18 11.34 35.97 47.96 3 0 5.79-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.A 107 9.54 33.73 50.12 10.13 34.03 50.87 9.30 31.37 49.43 8.62 30.36 49.22 8.70 32.53 50.17-999.99-999.99-999.99 1 0 6.92-999 ?-999 ?-999 ? ZN ZN B 117 mLYS.A 108 10.58 31.48 49.04 11.00 32.38 49.20 11.65 29.33 49.46 11.98 29.69 50.58 11.28 30.35 48.41 12.58 30.81 47.71 2 0 7.75-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 109 11.62 28.05 49.09 11.33 27.89 48.15 13.49 26.76 49.86 13.94 26.33 48.78 11.98 27.00 50.04 11.24 25.74 49.72 3 0 11.37-999 ?-999 ?-999 ? ZN ZN B 117 mILE^A 110 14.23 27.05 50.92 13.70 27.30 51.73 16.17 25.78 51.64 15.84 25.64 52.81 15.70 26.99 50.89 16.38 28.28 51.50 3 0 13.65-999 ?-999 ?-999 ? ZN ZN B 117 mASN^A 111 16.97 24.94 50.99 17.08 25.17 50.03 19.05 24.27 52.07 19.91 24.50 51.24 17.63 23.80 51.65 17.67 22.63 50.65 2 0 17.25-999 ?-999 ?-999 ? ZN ZN B 117 mILE^A 112 19.27 24.45 53.37 18.46 24.35 53.94 21.24 23.45 54.35 20.70 22.79 55.27 20.62 24.76 53.89 20.52 25.68 55.11 3 0 19.58-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^A 113 22.39 23.11 53.76 22.79 23.82 53.18 24.50 21.94 54.20 25.11 22.95 53.85 23.00 21.82 53.96 22.74 20.95 52.73 3 0 22.90-999 ?-999 ?-999 ? ZN ZN B 117 mSER^A 114 25.08 20.91 54.80 24.44 20.21 55.11 26.95 19.39 54.86 26.20 18.48 55.17 26.53 20.84 54.97 26.94 21.39 56.34 2 0 26.36-999 ?-999 ?-999 ? ZN ZN B 117 mHIS.A 115 28.18 19.18 54.40 28.69 20.01 54.20 28.60 16.97 55.49 28.71 17.49 56.62 28.72 17.82 54.22 30.20 17.89 53.75 3 0 29.41-999 ?-999 ?-999 ? ZN ZN B 117 mALA.B 2 31.25 31.56 54.41 31.72 32.37 54.04 29.73 29.63 53.90 29.56 28.44 54.02 30.57 30.37 54.95 29.75 30.72 56.13 2 0 25.91-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 3 29.24 30.32 52.87 29.42 31.30 52.91 29.43 29.10 50.73 30.19 29.87 50.09 28.49 29.62 51.78 27.46 30.52 51.10 3 0 23.02-999 ?-999 ?-999 ? ZN ZN B 117 mARG^B 4 29.36 27.79 50.51 28.63 27.33 51.03 29.68 27.03 48.20 30.39 27.16 47.23 30.26 27.10 49.60 30.53 25.70 50.13 2 0 24.80-999 ?-999 ?-999 ? ZN ZN B 117 mARG^B 5 28.36 26.85 48.11 27.87 26.85 48.98 26.27 27.10 46.93 25.66 27.00 48.01 27.71 26.66 46.82 27.70 25.18 46.45 2 0 22.16-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 6 25.74 27.63 45.83 26.43 27.84 45.13 23.86 27.11 44.38 24.48 27.32 43.31 24.28 27.87 45.66 23.91 29.36 45.61 3 0 18.44-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 7 22.90 26.20 44.49 22.52 26.10 45.41 20.97 25.50 43.21 20.26 25.14 44.18 22.46 25.42 43.34 22.86 23.93 43.48 3 0 18.03-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 8 20.45 25.97 42.06 21.11 26.33 41.39 18.57 24.49 41.60 19.28 23.73 40.92 19.00 25.92 41.86 18.56 26.82 40.72 2 0 15.13-999 ?-999 ?-999 ? ZN ZN B 117 mASN^B 9 17.38 24.14 42.07 16.92 24.84 42.63 15.56 23.07 41.02 14.71 23.89 41.43 16.83 22.83 41.79 16.45 22.11 43.09 2 0 15.95-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 10 15.43 22.38 39.90 16.21 21.79 39.70 13.43 21.20 39.28 13.96 20.09 39.10 14.24 22.47 39.07 14.59 22.74 37.57 3 0 15.58-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 11 12.17 21.37 39.67 11.90 22.33 39.76 10.80 19.63 38.65 10.32 20.36 37.77 11.28 20.25 39.95 10.08 20.73 40.77 2 0 16.37-999 ?-999 ?-999 ? ZN ZN B 117 mTHR.B 12 10.93 18.31 38.52 11.38 17.86 39.29 10.23 16.15 37.61 11.03 15.55 38.32 10.43 17.63 37.31 11.43 17.77 36.13 2 0 19.47-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.B 13 9.15 15.54 37.07 8.52 16.15 36.60 10.11 13.31 36.56 10.34 12.13 36.90 8.98 14.09 37.19 7.70 13.84 36.38 3 0 22.69-999 ?-999 ?-999 ? ZN ZN B 117 mGLU~B 14 10.81 13.95 35.62 10.59 14.92 35.49 13.08 14.09 34.58 13.17 14.77 33.57 11.81 13.25 34.85 11.22 12.74 33.52 2 0 24.60-999 ?-999 ?-999 ? ZN ZN B 117 mPRO~B 15 14.07 14.01 35.49 13.86 13.41 36.26 16.09 14.51 34.04 16.90 15.35 33.65 15.34 14.73 35.36 16.15 14.17 36.54 3 0 23.95-999 ?-999 ?-999 ? ZN ZN B 117 mALA~B 16 15.85 13.36 33.40 15.17 12.78 33.84 16.26 14.02 31.05 17.08 14.19 30.13 16.54 13.00 32.15 16.16 11.57 31.69 2 0 27.12-999 ?-999 ?-999 ? ZN ZN B 117 mARG~B 17 15.13 14.71 31.16 14.58 14.47 31.96 15.69 16.93 30.23 15.68 17.74 29.31 14.73 15.74 30.21 13.30 16.21 30.47 2 0 25.30-999 ?-999 ?-999 ? ZN ZN B 117 mALA~B 18 16.51 17.05 31.26 16.44 16.33 31.95 18.58 18.03 30.29 19.11 19.02 29.77 17.45 18.19 31.32 18.00 18.40 32.75 2 0 23.77-999 ?-999 ?-999 ? ZN ZN B 117 mGLN~B 19 18.89 16.78 29.93 18.27 16.08 30.27 19.99 17.27 27.75 21.00 17.77 27.26 20.06 16.53 29.10 20.24 15.03 28.87 2 0 27.30-999 ?-999 ?-999 ? ZN ZN B 117 mALA~B 20 18.79 17.38 27.17 18.05 16.99 27.72 19.08 19.46 25.81 19.59 19.95 24.81 18.61 18.00 25.85 17.15 17.91 25.43 2 0 27.66-999 ?-999 ?-999 ? ZN ZN B 117 mPHE~B 21 18.97 20.14 26.93 18.68 19.59 27.72 20.56 21.84 27.70 21.50 22.39 27.13 19.24 21.57 26.97 18.08 22.22 27.69 3 0 25.03-999 ?-999 ?-999 ? ZN ZN B 117 mTYR~B 22 20.64 21.37 28.95 19.85 20.83 29.24 23.02 20.87 29.33 24.14 21.38 29.36 21.81 21.65 29.79 21.45 21.38 31.26 3 0 24.53-999 ?-999 ?-999 ? ZN ZN B 117 mGLY~B 23 22.78 19.65 28.89 21.82 19.35 28.96 24.18 19.19 26.92 25.28 19.66 26.62 23.85 18.82 28.36-999.99-999.99-999.99 1 0 28.18-999 ?-999 ?-999 ? ZN ZN B 117 mASP.B 24 23.22 18.98 26.04 22.32 18.82 26.44 23.73 20.39 24.03 24.50 20.56 23.10 23.49 18.99 24.60 22.35 18.31 23.87 2 0 30.15-999 ?-999 ?-999 ? ZN ZN B 117 mILE.B 25 23.06 21.39 24.60 22.47 21.11 25.35 24.26 23.52 24.96 25.15 24.11 24.37 23.21 22.75 24.15 21.83 23.50 24.10 3 0 28.40-999 ?-999 ?-999 ? ZN ZN B 117 mLEU.B 26 24.18 23.47 26.29 23.45 22.89 26.64 26.42 23.54 27.53 27.26 24.17 28.14 25.09 24.22 27.17 24.37 24.65 28.45 3 0 26.86-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 27 26.58 22.26 27.18 25.76 21.85 26.77 28.13 21.27 28.88 29.28 21.19 29.28 27.85 21.56 27.41-999.99-999.99-999.99 1 0 29.76-999 ?-999 ?-999 ? ZN ZN B 117 mMETB 28 27.06 21.14 29.67 26.19 21.31 29.21 26.77 19.32 31.28 25.58 19.01 31.32 27.17 20.77 31.08 26.27 21.67 31.95 2 0 27.79-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.B 29 27.76 18.40 31.41 28.70 18.74 31.41 26.80 16.67 32.92 26.97 17.44 33.86 27.35 17.00 31.54 28.65 16.22 31.30 3 0 29.91-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 30 26.14 15.52 33.03 25.97 15.06 32.15 26.96 14.84 35.20 27.94 14.19 34.80 25.71 15.00 34.32 24.96 13.65 34.15 3 0 29.14-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 31 26.95 15.47 36.37 26.16 16.07 36.50 27.62 14.26 38.37 28.45 13.55 38.94 28.03 15.30 37.34 28.37 16.61 38.02 2 0 29.60-999 ?-999 ?-999 ? ZN ZN B 117 mMETB 32 26.31 14.16 38.61 25.74 14.75 38.03 24.38 12.86 39.24 23.57 13.68 38.81 25.78 13.29 39.63 25.73 14.03 40.95 2 0 29.14-999 ?-999 ?-999 ? ZN ZN B 117 mASP^B 33 24.10 11.57 39.40 24.87 11.02 39.73 22.41 10.14 40.28 23.20 9.28 40.69 22.80 11.02 39.10 22.84 10.21 37.81 2 0 29.36-999 ?-999 ?-999 ? ZN ZN B 117 mHIS.B 34 21.20 10.34 40.82 20.60 10.91 40.28 19.48 9.02 42.33 19.13 8.79 43.48 20.83 9.74 42.12 20.98 10.78 43.24 3 0 29.15-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 35 18.65 8.70 41.33 18.21 7.81 41.48 17.01 10.19 40.44 16.34 10.64 39.51 18.34 9.47 40.17-999.99-999.99-999.99 1 0 28.56-999 ?-999 ?-999 ? ZN ZN B 117 mTRP.B 36 16.61 10.28 41.72 17.10 9.67 42.35 16.00 12.66 41.94 15.16 13.56 41.87 15.55 11.22 42.14 15.06 11.01 43.59 3 0 25.77-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 37 17.32 12.84 41.84 17.84 11.99 41.97 19.17 13.90 40.63 19.86 12.89 40.75 17.96 14.12 41.56 18.39 14.83 42.89 3 0 24.02-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 38 19.36 14.81 39.66 18.68 15.54 39.66 21.03 16.12 38.70 20.27 17.07 38.66 20.47 14.72 38.70 19.97 14.35 37.25 3 0 25.14-999 ?-999 ?-999 ? ZN ZN B 117 mTHR^B 39 22.34 16.24 38.80 22.83 15.37 38.93 23.85 17.59 37.46 24.69 16.71 37.24 23.00 17.53 38.71 23.92 17.77 39.94 2 0 24.36-999 ?-999 ?-999 ? ZN ZN B 117 mHIS^B 40 23.63 18.64 36.67 22.83 19.17 36.92 25.48 20.05 35.97 25.11 20.97 36.70 24.48 18.99 35.54 23.59 19.52 34.40 3 0 25.19-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 41 26.71 19.94 35.50 26.86 19.21 34.84 28.74 21.19 34.85 28.94 20.40 33.90 27.75 20.86 35.96 28.49 20.28 37.18 2 0 26.26-999 ?-999 ?-999 ? ZN ZN B 117 mSER^B 42 29.37 22.35 34.99 29.05 22.90 35.76 31.80 22.59 34.78 31.86 22.48 36.00 30.44 22.78 34.09 30.24 24.25 33.80 2 0 28.03-999 ?-999 ?-999 ? ZN ZN B 117 mPRO^B 43 32.89 22.53 34.01 32.72 22.41 33.04 34.69 24.05 35.07 35.84 24.20 35.52 34.23 22.63 34.61 35.14 22.09 33.50 3 0 31.09-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 44 33.87 25.09 34.95 32.97 24.88 34.57 33.78 26.80 36.74 32.77 26.27 37.14 34.35 26.42 35.38 34.06 27.50 34.33 3 0 29.57-999 ?-999 ?-999 ? ZN ZN B 117 mGLU^B 45 34.46 27.72 37.44 35.25 28.10 36.97 33.76 29.59 38.90 34.36 30.39 38.19 34.06 28.09 38.80 35.18 27.72 39.80 2 0 27.98-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 46 32.84 29.97 39.79 32.26 29.22 40.12 32.22 31.46 41.64 31.81 30.45 42.19 32.72 31.38 40.20 31.78 32.17 39.26 2 0 25.73-999 ?-999 ?-999 ? ZN ZN B 117 mHIS^B 47 32.22 32.65 42.22 32.62 33.38 41.65 30.27 32.38 43.58 29.58 32.59 42.59 31.69 32.86 43.56 31.71 34.35 43.90 3 0 -24.21-999 ?-999 ?-999 ? ZN ZN B 117s mALA^B 48 29.87 31.75 44.69 30.59 31.60 45.36 27.68 32.63 44.98 28.05 33.51 45.77 28.47 31.34 44.86 28.34 30.54 46.12 2 0 21.28-999 ?-999 ?-999 ? ZN ZN B 117 mGLN^B 49 26.60 32.74 44.23 26.41 31.94 43.67 24.35 33.74 43.93 24.00 32.66 43.41 25.77 33.98 44.26 26.32 35.05 43.32 2 0 18.21-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 50 23.52 34.73 44.24 23.97 35.50 44.69 21.68 36.11 43.75 22.31 37.02 44.37 22.08 34.66 43.95 21.30 33.96 45.08 3 0 14.47-999 ?-999 ?-999 ? ZN ZN B 117 mSER^B 51 20.71 36.36 42.87 20.27 35.55 42.49 18.89 37.93 42.78 18.13 36.98 42.82 20.34 37.74 42.52 20.61 38.06 41.05 2 0 12.96-999 ?-999 ?-999 ? ZN ZN B 117 mPHE^B 52 18.53 39.21 42.95 19.26 39.86 42.76 16.91 40.83 42.52 17.69 41.78 42.50 17.19 39.62 43.37 17.21 40.00 44.88 3 0 10.36-999 ?-999 ?-999 ? ZN ZN B 117 mALA^B 53 15.80 40.77 41.78 15.15 40.06 42.04 14.10 42.05 40.54 13.23 41.21 40.74 15.59 41.70 40.68 16.14 41.07 39.39 2 0 10.54-999 ?-999 ?-999 ? ZN ZN B 117 mARG.B 54 13.83 43.32 40.29 14.65 43.89 40.30 12.02 43.53 38.59 10.80 43.52 38.28 12.48 43.86 40.02 12.57 45.39 40.23 2 0 10.35-999 ?-999 ?-999 ? ZN ZN B 117 mGLU.B 55 12.98 43.29 37.69 13.90 43.33 38.10 13.98 42.36 35.67 15.02 42.32 36.32 12.74 43.00 36.26 12.40 44.29 35.48 2 0 11.88-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 56 13.89 41.84 34.45 12.99 41.93 34.02 16.05 42.15 33.22 17.11 41.73 32.75 15.05 41.20 33.84-999.99-999.99-999.99 1 0 13.81-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 57 15.75 43.44 33.22 14.92 43.67 33.74 15.93 44.73 31.17 15.39 43.85 30.50 16.58 44.41 32.51-999.99-999.99-999.99 1 0 17.04-999 ?-999 ?-999 ? ZN ZN B 117 mSER.B 58 15.95 46.01 30.78 16.45 46.62 31.39 13.78 46.10 29.51 13.21 45.97 28.44 15.28 46.43 29.55 15.97 45.86 28.30 2 0 19.64-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 59 13.17 45.97 30.69 13.80 46.04 31.46 11.28 44.29 30.68 10.08 43.99 30.70 11.72 45.74 30.84-999.99-999.99-999.99 1 0 17.14-999 ?-999 ?-999 ? ZN ZN B 117 mTHR.B 60 12.25 43.40 30.53 13.17 43.79 30.54 11.48 41.37 31.71 11.63 41.98 32.79 11.97 41.97 30.38 13.20 41.20 29.92 2 0 15.70-999 ?-999 ?-999 ? ZN ZN B 117 mASP.B 61 10.86 40.20 31.60 10.64 39.92 30.67 11.84 39.05 33.49 12.89 39.02 32.86 10.54 39.41 32.78 9.78 38.14 32.38 2 0 12.26-999 ?-999 ?-999 ? ZN ZN B 117 mVAL.B 62 11.77 38.79 34.80 10.88 38.97 35.22 13.20 36.87 35.05 12.34 35.99 35.15 12.94 38.30 35.53 12.72 38.29 37.08 3 0 10.41-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.B 63 14.40 36.61 34.53 15.01 37.39 34.41 14.92 34.33 35.44 15.39 34.81 36.47 14.73 35.22 34.20 16.05 35.34 33.40 3 0 12.18-999 ?-999 ?-999 ? ZN ZN B 117 mASP.B 64 14.53 33.06 35.34 14.11 32.83 34.46 16.18 31.88 36.72 16.59 31.83 37.89 14.70 32.11 36.45 14.00 30.80 36.11 2 0 11.00-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 65 16.97 31.77 35.66 16.49 31.83 34.78 19.16 32.45 34.84 18.68 32.73 33.71 18.42 31.56 35.78 18.80 30.13 35.42 3 0 14.21-999 ?-999 ?-999 ? ZN ZN B 117 mSER^B 66 20.34 32.87 35.27 20.54 32.63 36.22 22.48 32.75 34.28 23.05 32.31 35.30 21.25 33.63 34.42 21.60 35.00 35.04 2 0 16.82-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 67 22.86 32.46 33.03 22.36 32.95 32.31 24.94 32.18 31.93 24.68 32.55 30.79 23.91 31.49 32.78 23.38 30.19 32.09 3 0 20.25-999 ?-999 ?-999 ? ZN ZN B 117 mGLU^B 68 26.13 32.37 32.51 26.21 32.02 33.44 28.02 32.05 30.99 28.43 31.02 31.52 27.19 33.05 31.79 28.05 33.82 32.78 2 0 23.24-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 69 28.24 32.34 29.70 27.87 33.22 29.40 30.15 32.19 28.19 30.13 33.42 28.05 28.96 31.45 28.81 28.03 30.84 27.71 3 0 26.56-999 ?-999 ?-999 ? ZN ZN B 117 mASP.B 70 31.19 31.44 27.85 31.07 30.46 28.03 32.19 32.31 25.77 32.69 33.31 25.26 32.39 32.02 27.25 33.61 31.09 27.44 2 0 30.15-999 ?-999 ?-999 ? ZN ZN B 117 mASN~B 71 31.50 31.42 25.07 31.06 30.71 25.63 29.95 31.71 23.20 29.25 30.78 22.82 31.41 31.49 23.62 31.97 30.22 22.98 2 0 31.64-999 ?-999 ?-999 ? ZN ZN B 117 mPHE~B 72 29.53 32.97 23.25 30.24 33.64 23.49 27.68 32.89 21.57 26.61 32.31 21.40 28.15 33.31 22.97 27.95 34.80 23.15 3 0 29.54-999 ?-999 ?-999 ? ZN ZN B 117 mASP~B 73 28.49 33.18 20.56 29.37 33.59 20.81 27.84 31.40 18.96 26.92 31.02 18.24 28.04 32.90 19.21 29.01 33.49 18.20 2 0 32.30-999 ?-999 ?-999 ? ZN ZN B 117 mGLU~B 74 28.72 30.55 19.52 29.48 31.00 19.99 27.25 28.60 20.09 26.51 27.81 19.49 28.54 29.09 19.43 29.74 28.35 20.02 2 0 32.99-999 ?-999 ?-999 ? ZN ZN B 117 mVAL~B 75 26.97 29.08 21.30 27.65 29.70 21.67 24.53 29.14 21.20 23.56 28.40 21.05 25.74 28.69 22.01 25.68 29.27 23.45 3 0 29.39-999 ?-999 ?-999 ? ZN ZN B 117 mHIS~B 76 24.58 30.37 20.69 25.42 30.88 20.90 23.22 30.00 18.68 22.07 29.66 18.40 23.50 30.91 19.90 23.84 32.35 19.49 3 0 29.32-999 ?-999 ?-999 ? ZN ZN B 117 mALA~B 77 24.29 29.60 17.97 25.16 29.97 18.29 23.57 27.35 17.26 22.74 26.79 16.55 24.16 28.70 16.83 25.53 28.48 16.15 2 0 32.63-999 ?-999 ?-999 ? ZN ZN B 117 mARG~B 78 23.99 26.85 18.42 24.65 27.43 18.91 22.04 25.61 19.18 21.28 24.68 18.87 23.51 25.56 18.90 24.21 25.16 20.20 2 0 31.44-999 ?-999 ?-999 ? ZN ZN B 117 mILE~B 79 21.62 26.72 19.80 22.35 27.36 20.03 19.36 26.92 18.85 18.36 26.19 18.77 20.22 26.94 20.12 20.04 28.27 20.90 3 0 28.44-999 ?-999 ?-999 ? ZN ZN B 117 mLEU~B 80 19.75 27.74 17.88 20.56 28.28 18.11 18.99 26.44 15.86 17.95 26.05 15.35 19.04 27.80 16.59 19.69 28.86 15.70 3 0 30.80-999 ?-999 ?-999 ? ZN ZN B 117 mLYS~B 81 20.12 25.74 15.83 20.90 26.19 16.28 19.28 23.40 15.85 18.80 22.46 15.22 20.18 24.43 15.17 21.63 23.94 15.03 2 0 33.47-999 ?-999 ?-999 ? ZN ZN B 117 mALA~B 82 19.06 23.59 17.15 19.54 24.37 17.54 16.69 23.06 17.72 15.80 22.33 18.18 18.17 22.73 17.94 18.53 22.82 19.42 2 0 31.02-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 83 16.43 24.15 17.00 17.25 24.64 16.70 14.33 25.24 17.86 13.09 25.29 17.87 15.06 24.58 16.71-999.99-999.99-999.99 1 0 30.46-999 ?-999 ?-999 ? ZN ZN B 117 mLEU.B 84 15.08 25.76 18.84 16.06 25.69 18.69 14.15 27.82 19.75 15.00 28.55 19.20 14.48 26.37 20.03 15.41 26.30 21.23 3 0 26.69-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.B 85 12.92 28.25 20.11 12.29 27.57 20.50 13.33 30.54 20.90 13.52 30.15 22.05 12.60 29.65 19.90 11.07 29.69 20.07 3 0 25.42-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 86 13.79 31.70 20.44 13.65 31.82 19.46 13.40 33.79 21.67 12.76 34.36 20.77 14.44 32.71 21.30 15.70 33.26 20.62 3 0 23.97-999 ?-999 ?-999 ? ZN ZN B 117 mGLU^B 87 13.21 34.03 22.97 13.83 33.53 23.58 12.65 36.37 23.45 11.85 37.28 23.31 12.17 34.93 23.45 11.68 34.56 24.86 2 0 21.15-999 ?-999 ?-999 ? ZN ZN B 117 mTYR^B 88 13.95 36.57 23.59 14.51 35.75 23.64 15.92 37.89 23.19 16.65 36.96 23.53 14.49 37.92 23.66 14.40 38.42 25.12 3 0 21.67-999 ?-999 ?-999 ? ZN ZN B 117 mGLY^B 89 16.32 38.87 22.38 15.59 39.50 22.13 17.98 38.05 20.74 17.06 37.44 20.18 17.70 38.98 21.92-999.99-999.99-999.99 1 0 24.57-999 ?-999 ?-999 ? ZN ZN B 117 mPRO^B 90 19.26 37.85 20.40 19.35 37.26 19.60 20.51 39.92 21.00 20.14 40.54 19.99 20.42 38.40 21.09 21.62 37.74 20.39 3 0 26.46-999 ?-999 ?-999 ? ZN ZN B 117 mVAL^B 91 21.00 40.54 22.07 21.22 39.96 22.85 22.31 42.34 23.02 22.56 41.63 23.99 21.20 41.98 22.04 19.85 42.72 22.32 3 0 26.65-999 ?-999 ?-999 ? ZN ZN B 117 mTHR^B 92 23.03 43.41 22.74 22.82 43.86 21.87 23.42 44.92 24.58 22.89 45.92 24.10 24.04 43.87 23.67 25.29 44.38 22.94 2 0 27.44-999 ?-999 ?-999 ? ZN ZN B 117 mGLU.B 93 23.50 44.68 25.88 24.02 43.86 26.10 23.82 46.63 27.38 25.01 46.59 27.08 22.87 45.55 26.89 22.41 44.71 28.06 2 0 25.01-999 ?-999 ?-999 ? ZN ZN B 117 mALA.B 94 23.26 47.58 28.13 22.30 47.41 28.34 24.96 48.47 29.77 25.80 49.30 30.11 24.00 48.77 28.61 23.03 49.87 29.01 2 0 26.06-999 ?-999 ?-999 ? ZN ZN B 117 mTRP.B 95 24.83 47.30 30.37 24.12 46.71 29.98 26.73 45.93 31.12 27.14 45.09 31.92 25.66 46.93 31.51 24.80 46.43 32.66 3 0 24.70-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 96 27.17 46.01 29.86 26.63 46.64 29.30 28.15 43.78 29.11 29.08 43.01 29.33 28.32 45.27 29.35-999.99-999.99-999.99 1 0 27.15-999 ?-999 ?-999 ? ZN ZN B 117 mVAL.B 97 26.97 43.37 28.67 26.27 44.08 28.60 26.01 41.81 27.00 25.19 42.66 26.64 26.75 41.95 28.32 25.90 41.18 29.38 3 0 25.56-999 ?-999 ?-999 ? ZN ZN B 117 mGLN^B 98 26.27 40.72 26.30 27.10 40.22 26.55 24.58 39.13 25.76 25.11 38.27 26.46 25.36 40.33 25.25 26.05 40.09 23.91 2 0 26.28-999 ?-999 ?-999 ? ZN ZN B 117 mARG^B 99 23.30 39.09 25.44 22.98 39.79 24.80 21.28 37.75 25.18 20.93 38.52 24.28 22.47 38.07 26.04 22.07 38.51 27.46 2 0 23.49-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 100 20.70 36.58 25.42 21.25 35.97 26.00 18.61 35.45 25.95 19.21 34.92 26.89 19.38 36.22 24.88 19.54 35.36 23.59 3 0 22.52-999 ?-999 ?-999 ? ZN ZN B 117 mPHE^B 101 17.28 35.38 25.83 16.90 35.90 25.06 15.80 33.50 25.95 15.35 33.71 24.81 16.48 34.62 26.75 15.32 35.46 27.32 3 0 19.49-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 102 15.69 32.33 26.55 16.19 32.26 27.41 14.33 30.37 27.01 14.80 30.43 28.15 14.87 31.27 25.93 15.69 30.44 24.93 3 0 20.04-999 ?-999 ?-999 ? ZN ZN B 117 mARG^B 103 13.35 29.53 26.65 13.05 29.60 25.70 13.49 27.26 27.63 13.80 26.70 26.57 12.77 28.59 27.63 11.29 28.40 27.39 2 0 18.64-999 ?-999 ?-999 ? ZN ZN B 117 mASP.B 104 13.73 26.73 28.82 13.54 27.35 29.59 13.11 24.30 28.91 11.92 24.66 28.70 14.23 25.36 28.97 15.16 25.27 30.20 2 0 19.45-999 ?-999 ?-999 ? ZN ZN B 117 mPRO.B 105 13.46 23.00 28.99 14.44 22.85 29.13 11.36 21.95 29.94 10.32 21.29 29.80 12.47 21.92 28.88 13.32 20.67 29.09 3 0 21.07-999 ?-999 ?-999 ? ZN ZN B 117 mPHE.B 106 11.60 22.74 30.98 12.42 23.30 30.90 9.98 24.08 32.18 9.24 24.37 33.14 10.72 22.75 32.15 11.59 22.54 33.38 3 0 17.86-999 ?-999 ?-999 ? ZN ZN B 117 mGLY.B 107 10.16 24.88 31.14 10.83 24.56 30.47 10.08 27.29 31.76 9.48 28.37 31.89 9.41 26.14 31.04-999.99-999.99-999.99 1 0 16.26-999 ?-999 ?-999 ? ZN ZN B 117 mLYS.B 108 11.31 27.08 32.23 11.68 26.17 32.02 12.59 29.10 31.98 13.04 28.69 30.89 12.05 28.11 33.00 13.24 27.49 33.79 2 0 14.13-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 109 12.61 30.38 32.36 12.21 30.53 33.26 14.63 31.57 31.82 15.03 31.95 32.93 13.15 31.45 31.52 12.42 32.77 31.81 3 0 14.36-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 110 15.41 31.23 30.81 14.91 30.98 29.98 17.51 32.36 30.16 17.35 32.48 28.94 16.87 31.20 30.91 17.45 29.92 30.36 3 0 16.70-999 ?-999 ?-999 ? ZN ZN B 117 mASN^B 111 18.30 33.15 30.88 18.29 32.93 31.86 20.51 33.67 30.05 21.24 33.31 30.98 19.10 34.21 30.32 19.12 35.37 31.32 2 0 17.98-999 ?-999 ?-999 ? ZN ZN B 117 mILE^B 112 20.89 33.59 28.78 20.19 33.85 28.12 23.01 34.44 28.08 22.58 35.19 27.22 22.23 33.16 28.41 22.18 32.28 27.14 3 0 21.56-999 ?-999 ?-999 ? ZN ZN B 117 mLEU^B 113 24.13 34.69 28.74 24.46 33.94 29.32 26.28 35.81 28.51 26.83 34.81 29.02 24.79 35.98 28.59 24.47 36.92 29.77 3 0 23.12-999 ?-999 ?-999 ? ZN ZN B 117 mSER^B 114 26.95 36.78 27.92 26.39 37.50 27.52 28.93 38.18 28.06 28.21 39.13 27.76 28.41 36.75 27.89 28.91 36.17 26.58 2 0 26.36-999 ?-999 ?-999 ? ZN ZN B 117