HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAR-07 2EJQ COMPND HYPOTHETICAL PROTEIN TTHA0227; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 GENE: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSSETA834 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR P.H.REHSE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET MG B1001 1 mTHR~A 2 10.57 -22.52 -25.38 10.18 -21.72 -25.83 11.12 -23.45 -23.21 11.01 -22.30 -22.78 11.16 -23.71 -24.70 12.63 -23.93 -25.10 2 0 33.12-999 ?-999 ?-999 ? MG MG B1001 mTYR~A 3 11.22 -24.51 -22.42 11.33 -25.38 -22.91 12.35 -23.58 -20.43 12.21 -22.82 -19.46 11.18 -24.39 -20.97 11.17 -25.78 -20.33 3 0 33.73-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 4 13.51 -23.76 -21.06 13.46 -24.40 -21.83 14.54 -21.58 -20.83 14.90 -20.79 -19.96 14.74 -23.07 -20.66 15.92 -23.52 -21.53 2 0 33.75-999 ?-999 ?-999 ? MG MG B1001 mALA~A 5 13.97 -21.21 -21.97 13.73 -21.96 -22.58 12.70 -19.22 -21.30 12.79 -18.04 -20.94 13.73 -19.81 -22.26 13.27 -19.65 -23.70 2 0 30.32-999 ?-999 ?-999 ? MG MG B1001 mPHE~A 6 11.73 -20.04 -20.89 11.79 -20.96 -21.27 11.32 -19.30 -18.60 11.05 -18.26 -18.01 10.69 -19.61 -19.97 9.63 -20.70 -19.81 3 0 29.10-999 ?-999 ?-999 ? MG MG B1001 mVAL~A 7 12.16 -20.22 -18.13 12.28 -21.01 -18.72 13.64 -18.76 -16.84 13.60 -17.99 -15.89 12.84 -20.05 -16.84 13.80 -21.22 -16.56 3 0 30.70-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 8 14.36 -18.53 -17.94 14.27 -19.26 -18.63 14.35 -16.06 -18.13 14.80 -15.02 -17.66 15.18 -17.35 -18.13 15.95 -17.50 -19.45 2 0 29.10-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 9 13.15 -16.13 -18.68 12.90 -17.02 -19.05 11.79 -14.64 -17.32 11.74 -13.47 -16.91 12.28 -14.96 -18.73 11.07 -15.23 -19.64 3 0 25.58-999 ?-999 ?-999 ? MG MG B1001 mVAL~A 10 11.42 -15.68 -16.59 11.51 -16.56 -17.05 11.97 -14.87 -14.33 11.66 -13.94 -13.58 10.93 -15.54 -15.22 10.57 -16.91 -14.63 3 0 26.29-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 11 13.21 -15.33 -14.41 13.33 -16.08 -15.07 14.60 -13.34 -13.98 14.91 -12.51 -13.10 14.29 -14.79 -13.61 15.55 -15.63 -13.79 2 0 27.55-999 ?-999 ?-999 ? MG MG B1001 mARG~A 12 14.53 -13.04 -15.27 14.26 -13.79 -15.86 13.77 -10.72 -15.25 14.10 -9.62 -14.81 14.84 -11.70 -15.76 14.91 -11.73 -17.31 2 0 24.71-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 13 12.50 -11.13 -15.28 12.37 -12.04 -15.68 11.46 -10.23 -13.25 11.25 -9.18 -12.65 11.42 -10.29 -14.78 10.06 -10.84 -15.25 3 0 22.13-999 ?-999 ?-999 ? MG MG B1001 mTRP~A 14 11.77 -11.36 -12.62 11.95 -12.15 -13.22 12.86 -10.44 -10.61 12.63 -9.81 -9.57 11.83 -11.41 -11.17 12.13 -12.84 -10.68 3 0 24.67-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 15 13.99 -10.31 -11.31 14.06 -10.88 -12.12 14.61 -7.91 -10.97 15.18 -7.08 -10.28 15.03 -9.38 -10.87 16.32 -9.59 -11.67 2 0 24.90-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 16 13.63 -7.60 -11.81 13.26 -8.37 -12.33 12.38 -5.82 -10.70 12.25 -4.64 -10.38 13.17 -6.21 -11.94 12.25 -6.03 -13.15 2 0 21.20-999 ?-999 ?-999 ? MG MG B1001 mVAL~A 17 11.84 -6.83 -10.03 12.04 -7.73 -10.41 11.87 -6.12 -7.65 12.84 -6.77 -7.23 11.05 -6.62 -8.84 10.32 -7.93 -8.43 3 0 22.13-999 ?-999 ?-999 ? MG MG B1001 mPRO~A 18 11.51 -4.95 -7.10 10.72 -4.53 -7.55 12.45 -5.29 -4.83 11.56 -5.98 -4.35 12.17 -4.31 -5.95 11.17 -3.25 -5.54 3 0 23.20-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 19 13.71 -5.33 -4.40 14.32 -4.70 -4.88 13.29 -6.22 -2.07 12.98 -7.28 -1.52 14.15 -6.23 -3.35 15.61 -5.92 -3.01 2 0 26.99-999 ?-999 ?-999 ? MG MG B1001 mASP~A 20 12.90 -5.05 -1.59 13.18 -4.25 -2.13 10.75 -5.70 -0.40 10.20 -6.03 0.64 12.11 -4.98 -0.36 11.92 -3.53 0.09 2 0 27.74-999 ?-999 ?-999 ? MG MG B1001 mPHE~A 21 10.22 -5.93 -1.60 10.76 -5.58 -2.37 9.15 -8.13 -1.53 8.22 -8.85 -1.24 8.94 -6.64 -1.75 8.36 -6.48 -3.16 3 0 26.37-999 ?-999 ?-999 ? MG MG B1001 mLYS~A 22 10.39 -8.58 -1.67 11.07 -7.87 -1.88 11.09 -10.44 -0.12 11.50 -11.59 0.08 10.70 -10.00 -1.53 11.83 -10.36 -2.50 2 0 29.04-999 ?-999 ?-999 ? MG MG B1001 mARG~A 23 10.93 -9.53 0.85 10.56 -8.65 0.55 10.43 -11.01 2.74 9.20 -10.99 2.63 11.30 -9.86 2.24 11.14 -8.65 3.19 2 0 31.96-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 24 11.08 -12.02 3.28 12.08 -11.95 3.29 10.06 -14.22 2.79 9.56 -15.29 3.12 10.34 -13.15 3.82-999.99-999.99-999.99 1 0 34.79-999 ?-999 ?-999 ? MG MG B1001 mLEU.A 25 10.37 -13.90 1.53 10.76 -12.99 1.42 11.49 -15.42 -0.05 12.44 -14.69 -0.37 10.16 -14.84 0.43 9.46 -14.13 -0.74 3 0 33.38-999 ?-999 ?-999 ? MG MG B1001 mGLN.A 26 11.57 -16.75 -0.07 10.74 -17.21 0.24 12.98 -17.29 -2.02 14.10 -17.10 -2.48 12.77 -17.44 -0.51 12.67 -18.93 -0.14 2 0 35.37-999 ?-999 ?-999 ? MG MG B1001 mGLY^A 27 11.90 -17.38 -2.80 11.04 -17.54 -2.33 10.95 -17.86 -5.06 9.96 -18.38 -4.55 12.05 -17.23 -4.23-999.99-999.99-999.99 1 0 32.79-999 ?-999 ?-999 ? MG MG B1001 mVAL^A 28 11.16 -17.80 -6.38 12.03 -17.36 -6.62 10.68 -19.71 -7.87 11.84 -19.90 -8.26 10.24 -18.33 -7.36 10.16 -17.35 -8.56 3 0 31.48-999 ?-999 ?-999 ? MG MG B1001 mHIS^A 29 9.76 -20.66 -7.85 8.88 -20.37 -7.47 9.32 -22.19 -9.70 8.15 -21.84 -9.85 10.02 -22.01 -8.35 9.48 -23.08 -7.38 3 0 34.12-999 ?-999 ?-999 ? MG MG B1001 mVAL^A 30 10.01 -22.75 -10.69 10.95 -22.99 -10.47 9.30 -24.46 -12.28 10.31 -25.16 -12.23 9.38 -22.97 -11.98 10.14 -22.27 -13.13 3 0 33.49-999 ?-999 ?-999 ? MG MG B1001 mPHE^A 31 8.10 -24.94 -12.57 7.36 -24.26 -12.56 7.43 -26.52 -14.29 6.71 -25.67 -14.83 7.90 -26.35 -12.86 6.88 -26.95 -11.90 3 0 36.08-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 32 7.85 -27.63 -14.94 8.43 -28.22 -14.39 6.03 -28.37 -16.47 5.42 -28.20 -17.53 7.48 -27.92 -16.33 8.43 -29.06 -16.71 3 0 36.77-999 ?-999 ?-999 ? MG MG B1001 mGLU.A 33 5.49 -28.95 -15.41 6.07 -29.00 -14.60 3.04 -28.42 -15.48 3.26 -27.25 -15.12 4.13 -29.47 -15.48 3.88 -30.45 -14.32 2 0 38.02-999 ?-999 ?-999 ? MG MG B1001 mALA.A 34 1.85 -28.84 -15.90 1.84 -29.80 -16.18 -0.13 -28.29 -14.68 0.05 -29.33 -14.07 0.67 -27.99 -15.94 -0.17 -28.31 -17.16 2 0 36.36-999 ?-999 ?-999 ? MG MG B1001 mLYS.A 35 -1.01 -27.38 -14.30 -1.07 -26.55 -14.85 -3.23 -27.14 -13.34 -3.49 -25.93 -13.35 -1.82 -27.63 -13.12 -1.22 -26.96 -11.88 2 0 36.74-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 36 -4.17 -28.08 -13.54 -3.84 -29.02 -13.54 -6.10 -27.06 -12.47 -5.56 -27.32 -11.39 -5.57 -27.68 -13.75 -6.30 -28.98 -14.07 3 0 37.12-999 ?-999 ?-999 ? MG MG B1001 mGLU.A 37 -7.13 -26.23 -12.56 -7.44 -26.04 -13.49 -8.69 -26.78 -10.97 -9.63 -27.05 -11.72 -7.72 -25.67 -11.35 -8.51 -24.41 -11.65 2 0 36.35-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 38 -8.48 -27.45 -9.82 -7.69 -27.15 -9.29 -10.91 -28.35 -9.49 -11.43 -27.29 -9.13 -9.38 -28.54 -9.40 -8.90 -28.84 -7.99 3 0 40.01-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 39 -11.60 -29.38 -9.96 -11.05 -30.18 -10.22 -13.62 -28.51 -11.25 -14.51 -28.99 -11.95 -13.05 -29.34 -10.09-999.99-999.99-999.99 1 0 41.62-999 ?-999 ?-999 ? MG MG B1001 mLEU.A 40 -13.12 -27.29 -11.44 -12.38 -27.08 -10.80 -12.78 -26.35 -13.81 -12.22 -25.32 -14.20 -13.57 -26.35 -12.47 -13.56 -24.94 -11.85 3 0 38.49-999 ?-999 ?-999 ? MG MG B1001 mGLU.A 41 -12.84 -27.45 -14.55 -13.42 -28.16 -14.14 -12.26 -26.73 -17.07 -13.34 -26.23 -17.42 -12.15 -27.63 -15.84 -12.36 -29.08 -16.33 2 0 38.41-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 42 -11.10 -26.60 -17.73 -10.35 -27.14 -17.34 -10.08 -24.59 -18.46 -9.65 -23.75 -19.25 -10.94 -25.77 -18.90-999.99-999.99-999.99 1 0 35.85-999 ?-999 ?-999 ? MG MG B1001 mVAL.A 43 -9.84 -24.55 -17.15 -10.24 -25.31 -16.64 -7.77 -24.03 -15.92 -7.76 -25.02 -15.20 -9.06 -23.49 -16.52 -9.88 -22.78 -15.41 3 0 33.43-999 ?-999 ?-999 ? MG MG B1001 mTRP.A 44 -6.67 -23.35 -16.23 -6.82 -22.56 -16.82 -4.78 -22.73 -14.79 -4.95 -21.53 -15.00 -5.37 -23.76 -15.73 -4.40 -23.97 -16.90 3 0 32.90-999 ?-999 ?-999 ? MG MG B1001 mARG.A 45 -4.11 -23.21 -13.76 -4.08 -24.21 -13.70 -2.05 -22.02 -13.30 -1.22 -22.92 -13.39 -3.46 -22.33 -12.79 -3.38 -23.03 -11.43 2 0 31.96-999 ?-999 ?-999 ? MG MG B1001 mLEU.A 46 -1.79 -20.76 -13.63 -2.56 -20.13 -13.52 0.60 -20.32 -12.99 1.79 -20.53 -13.23 -0.46 -20.36 -14.11 -0.52 -18.99 -14.80 3 0 29.39-999 ?-999 ?-999 ? MG MG B1001 mGLY^A 47 0.16 -20.04 -11.77 -0.83 -19.88 -11.70 0.33 -19.96 -9.31 -0.90 -19.96 -9.26 1.07 -19.99 -10.64-999.99-999.99-999.99 1 0 30.17-999 ?-999 ?-999 ? MG MG B1001 mGLU^A 48 1.09 -19.96 -8.21 2.07 -20.00 -8.37 1.50 -19.60 -5.82 2.71 -19.72 -6.03 0.48 -19.90 -6.90 -0.27 -21.21 -6.56 2 0 31.75-999 ?-999 ?-999 ? MG MG B1001 mTYR^A 49 1.00 -19.18 -4.67 0.00 -19.12 -4.65 1.88 -20.08 -2.63 0.84 -20.65 -2.30 1.85 -18.87 -3.54 1.28 -17.67 -2.79 3 0 32.67-999 ?-999 ?-999 ? MG MG B1001 mLEU^A 50 3.08 -20.51 -2.25 3.84 -19.98 -2.61 3.38 -21.14 0.07 4.43 -20.62 0.46 3.22 -21.66 -1.37 4.42 -22.49 -1.82 3 0 36.26-999 ?-999 ?-999 ? MG MG B1001 mASP.A 51 2.31 -21.26 0.85 1.53 -21.72 0.41 2.49 -21.83 3.28 1.69 -22.77 3.38 2.29 -20.75 2.21 0.96 -20.02 2.46 2 0 37.71-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 52 3.55 -21.70 4.10 4.11 -20.89 3.92 2.57 -22.92 5.99 2.28 -24.06 6.37 3.84 -22.67 5.16 4.93 -21.97 5.97 3 0 41.17-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 53 1.83 -21.86 6.28 2.18 -20.99 5.93 0.78 -21.98 8.54 1.86 -21.69 9.05 0.61 -22.00 7.03-999.99-999.99-999.99 1 0 41.89-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 54 -0.30 -22.28 9.28 -1.12 -22.50 8.76 0.64 -23.42 11.29 0.79 -24.46 10.65 -0.24 -22.28 10.75 -1.72 -22.39 11.15 3 0 44.79-999 ?-999 ?-999 ? MG MG B1001 mPRO.A 55 1.24 -23.21 12.48 1.04 -22.32 12.89 1.34 -25.47 13.48 0.12 -25.43 13.62 2.11 -24.22 13.09 2.66 -23.51 14.33 3 0 47.81-999 ?-999 ?-999 ? MG MG B1001 mSER.A 56 2.03 -26.59 13.64 3.01 -26.52 13.45 1.62 -27.85 15.58 2.23 -26.91 16.13 1.36 -27.81 14.07 1.98 -29.04 13.41 2 0 50.97-999 ?-999 ?-999 ? MG MG B1001 mALA.A 57 1.16 -28.91 16.25 0.66 -29.57 15.69 2.86 -29.34 17.95 3.40 -29.01 19.00 1.38 -29.06 17.70 0.56 -30.23 18.25 2 0 54.47-999 ?-999 ?-999 ? MG MG B1001 mPHE.A 58 3.49 -29.94 16.94 2.91 -30.10 16.14 5.88 -29.33 16.39 7.08 -29.59 16.36 4.89 -30.33 17.01 5.04 -31.71 16.36 3 0 54.96-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 59 5.37 -28.20 15.91 4.38 -28.10 15.98 5.68 -26.46 14.14 4.74 -26.93 13.50 6.26 -27.21 15.33-999.99-999.99-999.99 1 0 51.72-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 60 6.25 -25.29 13.86 6.99 -25.02 14.47 6.47 -24.93 11.45 7.41 -25.74 11.51 5.79 -24.49 12.73-999.99-999.99-999.99 1 0 47.94-999 ?-999 ?-999 ? MG MG B1001 mPHE~A 61 6.03 -24.42 10.30 5.29 -23.76 10.40 7.41 -23.72 8.31 7.69 -23.85 7.12 6.61 -24.81 9.02 5.52 -25.28 8.06 3 0 45.61-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 62 7.77 -22.66 9.02 7.51 -22.66 9.98 9.84 -22.03 7.73 10.31 -21.41 6.78 8.52 -21.59 8.35 8.74 -20.42 9.31 2 0 43.17-999 ?-999 ?-999 ? MG MG B1001 mASP~A 63 10.44 -23.10 8.26 9.95 -23.50 9.03 11.54 -24.08 6.27 12.53 -24.24 5.54 11.70 -23.61 7.73 12.23 -24.75 8.62 2 0 44.78-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 64 10.29 -24.29 5.86 9.60 -24.16 6.57 10.14 -23.48 3.57 10.41 -23.62 2.38 9.98 -24.69 4.48 8.55 -25.22 4.37 3 0 43.08-999 ?-999 ?-999 ? MG MG B1001 mGLY~A 65 9.99 -22.30 4.15 9.78 -22.32 5.13 8.84 -20.73 2.65 7.88 -21.49 2.64 10.12 -21.07 3.38-999.99-999.99-999.99 1 0 39.73-999 ?-999 ?-999 ? MG MG B1001 mARG.A 66 8.83 -19.55 2.04 9.67 -19.02 2.15 8.11 -18.98 -0.17 9.18 -18.43 -0.48 7.68 -19.08 1.28 7.21 -17.74 1.83 2 0 36.42-999 ?-999 ?-999 ? MG MG B1001 mHIS^A 67 7.28 -19.52 -1.05 6.44 -19.90 -0.66 6.46 -19.20 -3.39 5.29 -19.34 -3.04 7.61 -19.55 -2.47 8.08 -20.96 -2.86 3 0 34.44-999 ?-999 ?-999 ? MG MG B1001 mILE^A 68 6.83 -18.75 -4.59 7.82 -18.62 -4.69 6.19 -19.62 -6.64 7.36 -19.85 -6.97 5.88 -18.48 -5.64 6.14 -17.13 -6.34 3 0 31.52-999 ?-999 ?-999 ? MG MG B1001 mALA^A 69 5.18 -20.35 -7.07 4.29 -20.12 -6.70 4.78 -21.03 -9.37 3.70 -20.45 -9.39 5.41 -21.42 -8.04 4.81 -22.72 -7.54 2 0 32.83-999 ?-999 ?-999 ? MG MG B1001 mLEU^A 70 5.48 -21.34 -10.46 6.36 -21.77 -10.28 4.88 -22.42 -12.52 5.76 -23.27 -12.37 4.97 -21.07 -11.80 5.89 -20.12 -12.57 3 0 30.98-999 ?-999 ?-999 ? MG MG B1001 mTYR^A 71 3.80 -22.63 -13.27 3.15 -21.87 -13.30 3.71 -23.65 -15.48 2.77 -23.15 -16.11 3.60 -23.89 -13.98 2.23 -24.46 -13.62 3 0 32.87-999 ?-999 ?-999 ? MG MG B1001 mTYR~A 72 4.86 -23.99 -16.05 5.54 -24.38 -15.43 4.03 -24.52 -18.33 3.56 -23.98 -19.33 5.08 -23.81 -17.48 6.48 -24.29 -17.86 3 0 32.21-999 ?-999 ?-999 ? MG MG B1001 mGLY~A 73 3.64 -25.73 -17.91 4.09 -26.06 -17.08 1.30 -25.76 -18.74 0.59 -25.87 -19.74 2.64 -26.47 -18.66-999.99-999.99-999.99 1 0 34.49-999 ?-999 ?-999 ? MG MG B1001 mSER~A 74 0.93 -25.06 -17.67 1.57 -25.07 -16.91 -0.29 -23.20 -18.68 -1.29 -22.92 -19.33 -0.34 -24.33 -17.67 -0.64 -23.78 -16.28 2 0 32.51-999 ?-999 ?-999 ? MG MG B1001 mPHE~A 75 0.86 -22.53 -18.79 1.58 -22.85 -18.17 0.87 -21.95 -21.18 0.24 -21.30 -22.01 1.04 -21.44 -19.74 2.44 -20.80 -19.60 3 0 29.35-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 76 1.46 -23.11 -21.46 1.95 -23.52 -20.69 -0.07 -24.04 -23.13 -0.53 -23.72 -24.23 1.37 -23.72 -22.78 2.22 -25.00 -22.85 3 0 31.51-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 77 -0.79 -24.65 -22.19 -0.29 -24.84 -21.35 -3.02 -23.79 -22.81 -3.80 -23.85 -23.75 -2.18 -25.00 -22.42 -2.78 -25.65 -21.17 2 0 32.96-999 ?-999 ?-999 ? MG MG B1001 mVAL~A 78 -2.84 -22.68 -22.09 -2.15 -22.76 -21.37 -3.06 -20.66 -23.53 -3.80 -19.90 -24.15 -3.60 -21.47 -22.37 -3.63 -20.54 -21.13 3 0 29.64-999 ?-999 ?-999 ? MG MG B1001 mALA~A 79 -1.78 -20.82 -23.84 -1.29 -21.49 -23.29 -1.71 -20.34 -26.29 -1.86 -21.50 -26.67 -1.17 -20.03 -24.90 0.34 -20.20 -24.89 2 0 28.03-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 80 -1.98 -19.27 -27.02 -1.82 -18.40 -26.56 -1.75 -18.36 -29.22 -0.70 -17.84 -28.82 -2.48 -19.38 -28.38-999.99-999.99-999.99 1 0 28.05-999 ?-999 ?-999 ? MG MG B1001 mGLU.A 81 -2.28 -18.06 -30.39 -3.13 -18.53 -30.62 -1.49 -15.73 -30.54 -2.42 -15.28 -29.84 -1.61 -17.08 -31.24 -2.37 -16.93 -32.56 2 0 26.54-999 ?-999 ?-999 ? MG MG B1001 mGLY.A 82 -0.33 -15.10 -30.71 0.33 -15.59 -31.29 0.11 -13.79 -28.58 0.11 -12.73 -27.98 -0.06 -13.81 -30.10-999.99-999.99-999.99 1 0 22.95-999 ?-999 ?-999 ? MG MG B1001 mPHE.A 83 0.27 -14.97 -27.98 0.27 -15.75 -28.60 1.57 -14.18 -26.02 2.71 -14.36 -26.43 0.43 -15.07 -26.52 0.71 -16.53 -26.12 3 0 23.24-999 ?-999 ?-999 ? MG MG B1001 mASP~A 84 1.26 -13.22 -25.15 0.29 -13.18 -24.90 2.97 -12.98 -23.43 2.51 -12.82 -22.30 2.30 -12.33 -24.64 1.69 -11.00 -24.20 2 0 20.27-999 ?-999 ?-999 ? MG MG B1001 mTRP~A 85 4.06 -13.70 -23.67 4.34 -13.72 -24.64 5.20 -13.49 -21.47 4.98 -13.80 -20.30 4.77 -14.40 -22.61 6.00 -15.13 -23.16 3 0 22.48-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 86 5.81 -12.37 -21.83 5.91 -12.24 -22.82 5.15 -10.83 -20.02 5.25 -10.73 -18.79 6.29 -11.41 -20.85 7.06 -10.29 -21.54 2 0 19.93-999 ?-999 ?-999 ? MG MG B1001 mALA~A 87 4.07 -10.44 -20.69 4.11 -10.59 -21.68 2.30 -10.86 -19.05 1.92 -10.51 -17.93 2.94 -9.86 -19.99 1.92 -9.35 -20.99 2 0 17.90-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 88 2.18 -12.11 -19.49 2.53 -12.26 -20.41 2.41 -13.57 -17.45 1.87 -13.77 -16.37 1.57 -13.16 -18.68 1.27 -14.39 -19.55 2 0 21.28-999 ?-999 ?-999 ? MG MG B1001 mVAL~A 89 3.72 -13.68 -17.62 4.04 -13.51 -18.55 4.62 -12.88 -15.48 4.52 -13.09 -14.27 4.60 -14.04 -16.51 6.05 -14.29 -17.00 3 0 22.87-999 ?-999 ?-999 ? MG MG B1001 mTRP~A 90 4.76 -11.67 -15.99 4.85 -11.65 -16.99 3.60 -10.47 -14.21 3.75 -10.44 -12.99 4.79 -10.48 -15.16 4.76 -9.24 -16.05 3 0 19.98-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 91 2.42 -10.53 -14.80 2.47 -10.58 -15.79 1.03 -11.66 -13.04 0.64 -11.44 -11.90 1.16 -10.52 -14.06 0.01 -10.57 -15.08 2 0 20.12-999 ?-999 ?-999 ? MG MG B1001 mTHR~A 92 1.38 -12.88 -13.45 1.70 -12.92 -14.40 2.23 -13.92 -11.35 1.84 -14.15 -10.21 1.28 -14.03 -12.56 1.58 -15.32 -13.33 2 0 23.95-999 ?-999 ?-999 ? MG MG B1001 mMET~A 93 3.47 -13.53 -11.60 3.68 -13.36 -12.56 4.02 -12.32 -9.50 4.00 -12.57 -8.30 4.41 -13.37 -10.51 5.77 -13.01 -11.07 2 0 24.49-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 94 3.72 -11.14 -10.00 3.76 -11.08 -11.00 2.05 -10.27 -8.40 1.85 -9.74 -7.32 3.35 -10.03 -9.15 3.27 -8.74 -9.96 3 0 22.32-999 ?-999 ?-999 ? MG MG B1001 mHIS~A 95 1.16 -11.07 -8.98 1.43 -11.42 -9.88 0.19 -12.28 -7.12 -0.38 -12.09 -6.04 -0.10 -11.38 -8.32 -1.06 -12.08 -9.29 3 0 23.82-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 96 1.08 -13.26 -7.30 1.46 -13.33 -8.21 2.26 -13.38 -5.16 2.18 -13.65 -3.97 1.41 -14.14 -6.18 2.16 -15.39 -6.65 2 0 27.28-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 97 3.06 -12.43 -5.63 3.05 -12.31 -6.62 2.90 -10.86 -3.81 3.17 -10.61 -2.64 3.87 -11.65 -4.70 4.81 -10.72 -5.48 3 0 26.43-999 ?-999 ?-999 ? MG MG B1001 mARG~A 98 1.75 -10.49 -4.37 1.64 -10.75 -5.33 0.24 -10.67 -2.47 0.02 -10.21 -1.36 0.75 -9.77 -3.60 -0.43 -9.33 -4.47 2 0 25.74-999 ?-999 ?-999 ? MG MG B1001 mHIS~A 99 0.05 -11.95 -2.77 0.24 -12.20 -3.72 0.63 -13.06 -0.65 0.27 -13.29 0.50 -0.40 -12.90 -1.76 -0.68 -14.25 -2.40 3 0 29.28-999 ?-999 ?-999 ? MG MG B1001 mHIS~A 100 1.90 -12.95 -1.01 2.04 -12.78 -1.98 2.92 -11.94 0.94 3.01 -12.15 2.15 2.99 -13.08 -0.05 4.35 -13.04 -0.76 3 0 30.64-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 101 2.75 -10.72 0.42 2.68 -10.69 -0.57 1.48 -9.64 2.20 1.57 -9.32 3.37 2.68 -9.55 1.28 2.62 -8.26 0.44 3 0 29.40-999 ?-999 ?-999 ? MG MG B1001 mGLU~A 102 0.34 -10.10 1.67 0.40 -10.34 0.71 -0.72 -11.31 3.54 -1.29 -11.21 4.62 -0.86 -10.22 2.49 -2.07 -10.49 1.60 2 0 30.80-999 ?-999 ?-999 ? MG MG B1001 mSER~A 103 0.04 -12.35 3.22 0.44 -12.30 2.30 1.18 -13.01 5.31 1.03 -13.47 6.43 0.27 -13.45 4.15 0.89 -14.64 3.42 2 0 34.02-999 ?-999 ?-999 ? MG MG B1001 mLEU~A 104 2.15 -12.14 5.02 2.18 -11.85 4.07 2.34 -10.70 6.99 2.49 -10.79 8.21 3.06 -11.65 6.05 4.26 -10.94 5.44 3 0 34.53-999 ?-999 ?-999 ? MG MG B1001 mALA~A 105 1.58 -9.77 6.42 1.57 -9.81 5.42 -0.13 -9.52 8.13 -0.49 -9.01 9.19 0.84 -8.80 7.20 0.07 -7.86 6.28 2 0 33.95-999 ?-999 ?-999 ? MG MG B1001 mGLY~A 106 -0.55 -10.72 7.73 -0.17 -11.03 6.86 -0.89 -12.35 9.65 -1.62 -13.15 10.24 -1.48 -11.49 8.53-999.99-999.99-999.99 1 0 36.56-999 ?-999 ?-999 ? MG MG B1001 mARG.A 107 0.40 -12.19 9.93 0.86 -11.52 9.35 1.88 -11.93 11.81 2.55 -12.26 12.80 1.07 -12.95 10.99 2.04 -13.98 10.38 2 0 39.32-999 ?-999 ?-999 ? MG MG B1001 mASP.A 108 1.80 -10.68 11.36 1.19 -10.58 10.57 1.60 -8.57 12.65 0.37 -8.80 12.65 2.52 -9.57 11.96 3.35 -8.88 10.89 2 0 38.54-999 ?-999 ?-999 ? MG MG B1001 mTHR~B 2 -9.27 13.33 -23.35 -9.33 12.42 -23.77 -9.44 14.60 -21.24 -10.10 13.67 -20.79 -9.16 14.69 -22.73 -10.19 15.64 -23.34 2 0 12.43-999 ?-999 ?-999 ? MG MG B1001 mTYR~B 3 -8.94 15.57 -20.49 -8.43 16.27 -20.99 -10.61 15.63 -18.65 -11.03 14.95 -17.71 -9.14 15.58 -19.05 -8.39 16.76 -18.42 3 0 13.36-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 4 -11.41 16.42 -19.36 -10.96 16.92 -20.09 -13.55 15.20 -19.29 -14.40 14.80 -18.51 -12.83 16.52 -19.05 -13.49 17.61 -19.91 2 0 16.85-999 ?-999 ?-999 ? MG MG B1001 mALA~B 5 -13.21 14.53 -20.40 -12.51 14.98 -20.96 -13.46 12.23 -19.66 -14.23 11.31 -19.37 -13.84 13.26 -20.72 -13.40 12.78 -22.09 2 0 16.07-999 ?-999 ?-999 ? MG MG B1001 mPHE~B 6 -12.27 12.40 -19.09 -11.75 13.19 -19.43 -12.70 11.70 -16.85 -13.24 10.72 -16.32 -11.80 11.51 -18.06 -10.35 11.83 -17.66 3 0 14.18-999 ?-999 ?-999 ? MG MG B1001 mVAL~B 7 -12.88 12.95 -16.43 -12.38 13.64 -16.96 -15.11 12.60 -15.46 -15.59 11.91 -14.56 -13.74 13.26 -15.29 -13.95 14.79 -15.13 3 0 17.41-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 8 -15.71 12.80 -16.62 -15.19 13.37 -17.26 -17.02 10.71 -16.95 -18.04 10.09 -16.64 -17.02 12.24 -16.92 -17.51 12.83 -18.26 2 0 19.52-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 9 -15.90 10.10 -17.31 -15.14 10.70 -17.57 -15.80 8.14 -15.88 -16.56 7.26 -15.49 -15.84 8.63 -17.33 -14.58 8.14 -18.05 3 0 17.77-999 ?-999 ?-999 ? MG MG B1001 mVAL~B 10 -14.90 8.74 -15.10 -14.37 9.45 -15.57 -16.04 8.49 -12.93 -16.46 7.52 -12.30 -14.72 8.40 -13.69 -13.68 9.35 -13.02 3 0 18.14-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 11 -16.67 9.65 -12.99 -16.22 10.35 -13.54 -19.03 8.94 -12.82 -19.96 8.59 -12.09 -17.94 9.85 -12.29 -18.38 11.31 -12.40 2 0 21.72-999 ?-999 ?-999 ? MG MG B1001 mARG~B 12 -18.93 8.55 -14.08 -18.12 8.90 -14.56 -19.84 6.25 -14.15 -20.86 5.61 -13.90 -19.94 7.68 -14.68 -19.79 7.67 -16.21 2 0 22.48-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 13 -18.62 5.76 -13.98 -17.88 6.39 -14.23 -18.74 4.36 -11.96 -19.28 3.38 -11.46 -18.42 4.41 -13.46 -16.97 3.95 -13.69 3 0 21.80-999 ?-999 ?-999 ? MG MG B1001 mTRP~B 14 -18.40 5.43 -11.24 -17.98 6.17 -11.77 -20.12 5.33 -9.44 -20.43 4.65 -8.48 -18.65 5.48 -9.81 -18.08 6.77 -9.21 3 0 23.61-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 15 -21.02 5.95 -10.19 -20.65 6.49 -10.94 -22.93 4.39 -10.07 -23.95 4.00 -9.51 -22.44 5.82 -9.88 -23.28 6.78 -10.74 2 0 26.81-999 ?-999 ?-999 ? MG MG B1001 mGLU.B 16 -22.21 3.60 -10.86 -21.41 4.03 -11.27 -22.04 1.30 -9.98 -22.12 0.07 -10.07 -22.60 2.21 -11.08 -22.13 1.71 -12.45 2 0 26.92-999 ?-999 ?-999 ? MG MG B1001 mVAL.B 17 -21.47 1.91 -8.95 -21.45 2.91 -9.03 -21.95 1.32 -6.69 -22.18 2.42 -6.19 -20.92 1.17 -7.82 -19.55 1.76 -7.36 3 0 27.30-999 ?-999 ?-999 ? MG MG B1001 mPRO~B 18 -22.57 0.20 -6.28 -22.28 -0.63 -6.77 -23.14 0.99 -3.99 -22.04 0.81 -3.50 -23.58 0.17 -5.21 -23.69 -1.32 -4.87 3 0 31.09-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 19 -24.01 1.89 -3.52 -24.86 1.93 -4.03 -23.32 1.83 -1.18 -22.49 2.18 -0.34 -23.71 2.72 -2.35 -24.94 3.53 -1.94 2 0 32.37-999 ?-999 ?-999 ? MG MG B1001 mASP~B 20 -23.94 0.65 -1.14 -24.60 0.49 -1.87 -22.18 -0.72 -0.13 -21.56 -0.94 0.90 -23.66 -0.30 -0.08 -24.63 -1.48 -0.21 2 0 34.36-999 ?-999 ?-999 ? MG MG B1001 mPHE~B 21 -21.63 -0.83 -1.34 -22.26 -0.62 -2.09 -19.28 -0.07 -1.21 -18.10 -0.27 -0.94 -20.23 -1.22 -1.54 -19.97 -1.63 -3.00 3 0 31.22-999 ?-999 ?-999 ? MG MG B1001 mLYS~B 22 -19.80 1.15 -1.20 -20.78 1.18 -1.40 -18.61 2.49 0.55 -17.62 3.15 0.88 -18.99 2.33 -0.91 -19.70 3.57 -1.45 2 0 29.98-999 ?-999 ?-999 ? MG MG B1001 mARG~B 23 -19.39 1.84 1.41 -20.15 1.35 0.98 -18.53 3.10 3.39 -17.51 3.04 4.07 -19.15 1.83 2.84 -18.26 0.63 3.21 2 0 32.96-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 24 -19.11 4.25 3.09 -19.91 4.20 2.49 -17.82 6.42 2.71 -17.71 7.61 3.01 -18.56 5.47 3.64-999.99-999.99-999.99 1 0 32.77-999 ?-999 ?-999 ? MG MG B1001 mLEU.B 25 -17.29 5.92 1.60 -17.41 4.93 1.47 -17.66 7.80 0.17 -18.74 7.39 -0.23 -16.59 6.80 0.67 -15.98 5.98 -0.47 3 0 29.15-999 ?-999 ?-999 ? MG MG B1001 mGLN.B 26 -17.34 9.09 0.20 -16.41 9.28 0.51 -18.28 10.56 -1.67 -19.27 11.10 -2.15 -18.30 10.12 -0.20 -18.17 11.35 0.71 2 0 29.63-999 ?-999 ?-999 ? MG MG B1001 mGLY^B 27 -17.19 10.31 -2.38 -16.44 9.85 -1.90 -15.73 10.70 -4.31 -14.77 10.62 -3.56 -17.14 10.71 -3.78-999.99-999.99-999.99 1 0 26.29-999 ?-999 ?-999 ? MG MG B1001 mVAL^B 28 -15.62 10.80 -5.63 -16.49 10.89 -6.11 -13.89 12.14 -6.81 -14.70 12.90 -7.32 -14.33 10.78 -6.29 -14.33 9.78 -7.47 3 0 22.57-999 ?-999 ?-999 ? MG MG B1001 mHIS^B 29 -12.60 12.43 -6.64 -12.09 11.71 -6.16 -11.02 13.27 -8.19 -10.36 12.23 -8.08 -12.01 13.67 -7.11 -11.23 14.38 -5.99 3 0 21.04-999 ?-999 ?-999 ? MG MG B1001 mVAL^B 30 -10.91 14.08 -9.23 -11.51 14.88 -9.21 -8.98 14.94 -10.38 -9.37 16.10 -10.43 -9.97 13.79 -10.29 -10.67 13.62 -11.65 3 0 17.53-999 ?-999 ?-999 ? MG MG B1001 mPHE^B 31 -7.70 14.60 -10.40 -7.54 13.61 -10.34 -6.02 15.50 -11.86 -5.81 14.42 -12.39 -6.65 15.58 -10.48 -5.58 15.28 -9.44 3 0 16.26-999 ?-999 ?-999 ? MG MG B1001 mPRO.B 32 -5.73 16.66 -12.46 -5.96 17.49 -11.94 -3.64 16.28 -13.68 -3.04 15.75 -14.61 -5.12 16.66 -13.79 -5.37 18.08 -14.31 3 0 13.88-999 ?-999 ?-999 ? MG MG B1001 mGLU.B 33 -3.06 16.52 -12.51 -3.66 16.94 -11.82 -1.45 14.68 -12.33 -2.38 13.88 -12.20 -1.66 16.19 -12.30 -1.17 16.67 -10.92 2 0 13.46-999 ?-999 ?-999 ? MG MG B1001 mALA.B 34 -0.18 14.32 -12.48 0.45 15.08 -12.63 0.75 12.86 -11.01 0.92 13.89 -10.36 0.24 12.93 -12.44 1.39 12.71 -13.40 2 0 11.27-999 ?-999 ?-999 ? MG MG B1001 mLYS.B 35 1.00 11.65 -10.51 0.79 10.89 -11.12 2.47 10.33 -9.10 2.04 9.18 -9.22 1.54 11.53 -9.17 0.43 11.39 -8.13 2 0 13.77-999 ?-999 ?-999 ? MG MG B1001 mPRO.B 36 3.77 10.57 -8.89 4.01 11.54 -8.80 4.46 8.60 -7.61 4.05 9.09 -6.56 4.74 9.48 -8.81 6.08 10.21 -8.66 3 0 14.17-999 ?-999 ?-999 ? MG MG B1001 mGLU.B 37 4.69 7.30 -7.75 5.02 7.01 -8.65 5.64 6.53 -5.70 6.78 6.26 -6.08 4.46 6.39 -6.64 4.35 4.95 -7.11 2 0 16.18-999 ?-999 ?-999 ? MG MG B1001 mPRO.B 38 5.39 7.00 -4.47 4.43 7.23 -4.26 7.13 5.78 -3.23 6.43 4.80 -2.95 6.51 7.13 -3.54 5.88 7.82 -2.32 3 0 19.63-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 39 8.45 5.73 -3.33 8.89 6.59 -3.60 9.85 3.93 -4.29 10.81 3.17 -4.17 9.17 4.51 -3.06-999.99-999.99-999.99 1 0 21.20-999 ?-999 ?-999 ? MG MG B1001 mLEU.B 40 9.35 4.28 -5.48 8.58 4.91 -5.43 10.21 4.88 -7.72 9.79 6.02 -7.52 9.92 3.76 -6.73 8.94 2.78 -7.36 3 0 18.41-999 ?-999 ?-999 ? MG MG B1001 mGLU.B 41 10.91 4.53 -8.80 11.18 3.57 -8.83 10.71 5.11 -11.20 10.85 3.97 -11.64 11.26 5.51 -9.85 12.77 5.67 -9.97 2 0 16.28-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 42 10.09 6.09 -11.87 10.06 6.97 -11.40 8.19 5.09 -13.10 7.74 4.51 -14.09 9.51 5.84 -13.19-999.99-999.99-999.99 1 0 12.59-999 ?-999 ?-999 ? MG MG B1001 mVAL.B 43 7.59 5.10 -11.91 8.09 5.61 -11.21 5.32 5.43 -11.13 5.63 6.23 -10.24 6.32 4.41 -11.67 6.51 3.24 -10.67 3 0 12.39-999 ?-999 ?-999 ? MG MG B1001 mTRP.B 44 4.11 5.40 -11.69 3.99 4.68 -12.37 1.92 5.79 -10.52 1.51 4.65 -10.72 3.07 6.36 -11.32 2.52 7.04 -12.58 3 0 11.35-999 ?-999 ?-999 ? MG MG B1001 mARG.B 45 1.39 6.62 -9.61 1.85 7.51 -9.56 -1.00 6.70 -9.51 -1.20 7.91 -9.77 0.26 6.25 -8.79 0.34 6.90 -7.40 2 0 13.75-999 ?-999 ?-999 ? MG MG B1001 mLEU.B 46 -1.85 5.73 -9.85 -1.56 4.82 -9.57 -4.19 6.53 -9.68 -4.93 7.44 -10.08 -3.08 6.01 -10.57 -3.54 4.75 -11.29 3 0 12.71-999 ?-999 ?-999 ? MG MG B1001 mGLY^B 47 -4.30 5.96 -8.48 -3.63 5.25 -8.29 -4.97 6.08 -6.11 -3.93 5.48 -5.82 -5.34 6.36 -7.55-999.99-999.99-999.99 1 0 16.29-999 ?-999 ?-999 ? MG MG B1001 mGLU^B 48 -5.84 6.50 -5.20 -6.65 6.93 -5.61 -6.88 7.02 -3.12 -7.69 7.60 -3.82 -5.66 6.35 -3.75 -4.40 7.11 -3.30 2 0 19.93-999 ?-999 ?-999 ? MG MG B1001 mTYR^B 49 -6.99 6.96 -1.81 -6.29 6.44 -1.32 -7.61 8.68 -0.21 -6.47 8.60 0.27 -8.11 7.64 -1.20 -9.11 6.63 -0.59 3 0 23.16-999 ?-999 ?-999 ? MG MG B1001 mLEU^B 50 -8.45 9.69 0.06 -9.35 9.60 -0.37 -8.81 11.09 2.25 -10.04 11.08 2.32 -8.06 10.80 0.93 -8.03 12.08 0.08 3 0 25.29-999 ?-999 ?-999 ? MG MG B1001 mASP.B 51 -7.99 11.39 3.25 -7.04 11.34 2.93 -9.10 10.90 5.64 -10.23 11.24 5.99 -8.30 11.73 4.64 -8.77 13.20 4.70 2 0 28.94-999 ?-999 ?-999 ? MG MG B1001 mPRO.B 52 -8.49 9.80 6.12 -7.58 9.66 5.74 -8.32 8.65 8.47 -8.95 8.20 9.42 -9.06 8.86 7.11 -9.17 7.55 6.33 3 0 31.27-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 53 -7.02 8.97 8.57 -6.60 9.34 7.73 -4.83 9.00 9.46 -4.57 8.94 8.21 -6.29 8.78 9.84-999.99-999.99-999.99 1 0 33.12-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 65 -10.81 6.55 4.37 -10.93 5.71 4.89 -11.92 8.18 2.97 -12.38 7.52 2.05 -10.62 7.78 3.61-999.99-999.99-999.99 1 0 28.58-999 ?-999 ?-999 ? MG MG B1001 mARG.B 66 -12.50 9.28 3.43 -11.99 9.76 4.15 -13.90 9.88 1.38 -14.89 9.44 0.81 -13.77 9.72 2.91 -14.22 11.00 3.64 2 0 29.47-999 ?-999 ?-999 ? MG MG B1001 mHIS^B 67 -12.90 10.47 0.72 -12.14 10.75 1.29 -11.82 9.95 -1.51 -10.70 9.91 -1.02 -12.97 10.65 -0.75 -12.96 12.17 -1.08 3 0 26.04-999 ?-999 ?-999 ? MG MG B1001 mILE^B 68 -12.11 9.39 -2.68 -13.07 9.46 -2.94 -10.53 9.74 -4.52 -11.25 10.62 -4.98 -11.09 8.73 -3.51 -11.65 7.58 -4.36 3 0 22.56-999 ?-999 ?-999 ? MG MG B1001 mALA^B 69 -9.27 9.59 -4.90 -8.77 8.83 -4.47 -8.04 9.71 -7.00 -7.43 8.66 -6.76 -8.69 10.50 -5.87 -7.67 11.39 -5.21 2 0 19.45-999 ?-999 ?-999 ? MG MG B1001 mLEU^B 70 -8.19 10.21 -8.22 -8.75 11.04 -8.25 -6.73 10.68 -10.05 -7.12 11.84 -10.09 -7.58 9.60 -9.40 -8.64 9.12 -10.40 3 0 15.79-999 ?-999 ?-999 ? MG MG B1001 mTYR^B 71 -5.56 10.29 -10.56 -5.38 9.31 -10.46 -4.54 11.04 -12.71 -3.81 10.18 -13.22 -4.64 11.22 -11.20 -3.26 11.07 -10.57 3 0 13.09-999 ?-999 ?-999 ? MG MG B1001 mTYR~B 72 -5.26 11.90 -13.42 -5.77 12.56 -12.88 -3.88 11.75 -15.47 -3.62 10.85 -16.27 -5.28 11.86 -14.87 -6.00 13.10 -15.42 3 0 10.73-999 ?-999 ?-999 ? MG MG B1001 mGLY~B 73 -2.97 12.64 -15.07 -3.31 13.32 -14.41 -0.94 11.25 -15.40 -0.07 10.86 -16.19 -1.61 12.61 -15.59-999.99-999.99-999.99 1 0 8.81-999 ?-999 ?-999 ? MG MG B1001 mSER~B 74 -1.34 10.52 -14.36 -2.02 10.95 -13.77 -1.29 8.19 -15.19 -0.53 7.35 -15.67 -0.77 9.18 -14.15 -1.11 8.67 -12.73 2 0 8.61-999 ?-999 ?-999 ? MG MG B1001 mPHE~B 75 -2.57 8.31 -15.55 -3.06 9.03 -15.06 -2.53 7.71 -17.92 -2.21 6.78 -18.66 -3.19 7.45 -16.57 -4.71 7.69 -16.67 3 0 7.31-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 76 -2.30 8.99 -18.22 -2.62 9.63 -17.53 -0.21 8.82 -19.53 0.17 8.26 -20.56 -1.63 9.39 -19.46 -1.56 10.92 -19.58 3 0 4.38-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 77 0.56 8.97 -18.45 0.13 9.43 -17.68 1.97 6.98 -18.72 2.81 6.49 -19.48 1.94 8.47 -18.45 2.62 8.73 -17.09 2 0 4.10-999 ?-999 ?-999 ? MG MG B1001 mVAL~B 78 1.06 6.26 -18.09 0.45 6.80 -17.50 0.31 4.39 -19.56 0.77 3.45 -20.18 0.94 4.82 -18.23 0.12 4.23 -17.05 3 0 5.14-999 ?-999 ?-999 ? MG MG B1001 mALA~B 79 -0.72 5.11 -20.00 -0.97 5.88 -19.41 -0.53 4.64 -22.48 0.39 5.42 -22.70 -1.41 4.77 -21.24 -2.53 5.78 -21.51 2 0 4.15-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 80 -0.83 3.62 -23.28 -1.58 3.05 -22.96 -1.15 2.96 -25.54 -2.34 3.14 -25.31 -0.11 3.38 -24.52-999.99-999.99-999.99 1 0 5.05-999 ?-999 ?-999 ? MG MG B1001 mGLU.B 81 -0.73 2.40 -26.67 0.27 2.33 -26.76 -2.66 0.94 -27.09 -2.26 0.06 -26.34 -1.68 1.96 -27.68 -0.93 1.32 -28.86 2 0 8.36-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 82 -3.94 1.07 -27.44 -4.14 1.85 -28.04 -5.38 0.28 -25.49 -6.14 -0.55 -24.98 -4.94 0.14 -26.94-999.99-999.99-999.99 1 0 10.79-999 ?-999 ?-999 ? MG MG B1001 mPHE.B 83 -4.91 1.33 -24.82 -4.31 1.93 -25.35 -6.78 1.57 -23.23 -7.47 2.42 -23.79 -5.26 1.55 -23.42 -4.68 2.89 -22.95 3 0 9.02-999 ?-999 ?-999 ? MG MG B1001 mASP~B 84 -7.30 0.63 -22.44 -6.64 -0.01 -22.05 -9.11 1.47 -21.03 -9.15 1.04 -19.88 -8.74 0.55 -22.19 -9.14 -0.88 -21.85 2 0 12.27-999 ?-999 ?-999 ? MG MG B1001 mTRP~B 85 -9.40 2.74 -21.33 -9.35 2.95 -22.31 -10.81 3.21 -19.31 -10.64 3.34 -18.10 -9.76 3.70 -20.30 -10.23 5.02 -20.93 3 0 11.86-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 86 -11.91 2.67 -19.83 -11.91 2.62 -20.83 -12.54 1.09 -18.03 -12.84 1.16 -16.84 -13.00 2.18 -19.00 -14.11 1.64 -19.88 2 0 15.62-999 ?-999 ?-999 ? MG MG B1001 mALA~B 87 -11.81 0.10 -18.53 -11.65 0.16 -19.52 -10.22 -0.54 -16.72 -10.16 -1.02 -15.60 -11.31 -0.99 -17.69 -10.78 -2.12 -18.57 2 0 15.97-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 88 -9.37 0.38 -17.16 -9.53 0.70 -18.09 -8.82 1.68 -15.13 -8.31 1.57 -14.01 -8.29 0.86 -16.31 -7.29 1.68 -17.12 2 0 13.22-999 ?-999 ?-999 ? MG MG B1001 mVAL~B 89 -9.84 2.49 -15.38 -10.15 2.50 -16.32 -11.21 2.38 -13.36 -11.07 2.47 -12.14 -10.43 3.29 -14.31 -11.37 4.36 -14.90 3 0 14.85-999 ?-999 ?-999 ? MG MG B1001 mTRP~B 90 -12.03 1.50 -13.93 -12.03 1.52 -14.93 -11.94 -0.20 -12.17 -12.27 -0.35 -11.00 -12.84 0.58 -13.13 -13.61 -0.37 -14.04 3 0 18.29-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 91 -10.81 -0.69 -12.66 -10.65 -0.50 -13.63 -9.34 -0.56 -10.69 -9.23 -1.00 -9.54 -9.90 -1.44 -11.81 -8.75 -2.03 -12.63 2 0 17.90-999 ?-999 ?-999 ? MG MG B1001 mTHR~B 92 -8.97 0.68 -11.03 -9.12 0.90 -11.99 -9.40 1.86 -8.92 -9.02 1.98 -7.76 -8.41 1.60 -10.05 -8.03 2.96 -10.71 2 0 16.82-999 ?-999 ?-999 ? MG MG B1001 mMET~B 93 -10.67 1.90 -9.28 -10.85 1.75 -10.25 -12.05 0.94 -7.45 -12.36 1.08 -6.27 -11.70 2.14 -8.30 -12.93 2.70 -8.98 2 0 19.92-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 94 -12.03 -0.25 -8.05 -11.80 -0.25 -9.02 -11.19 -1.60 -6.26 -11.42 -1.94 -5.09 -12.33 -1.43 -7.27 -12.44 -2.67 -8.16 3 0 22.29-999 ?-999 ?-999 ? MG MG B1001 mHIS~B 95 -9.96 -1.33 -6.69 -9.89 -1.06 -7.64 -9.02 -0.52 -4.57 -8.72 -0.90 -3.44 -8.84 -1.46 -5.77 -7.51 -1.18 -6.49 3 0 21.51-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 96 -9.52 0.68 -4.82 -9.74 0.86 -5.78 -10.87 1.18 -2.81 -10.81 1.37 -1.61 -9.74 1.64 -3.73 -10.06 3.04 -4.26 2 0 22.50-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 97 -11.91 0.59 -3.39 -11.85 0.52 -4.39 -12.50 -1.01 -1.68 -12.92 -1.12 -0.53 -13.02 0.09 -2.60 -14.11 -0.49 -3.51 3 0 25.56-999 ?-999 ?-999 ? MG MG B1001 mARG~B 98 -11.57 -1.81 -2.19 -11.31 -1.59 -3.12 -10.10 -2.39 -0.31 -10.22 -2.82 0.83 -11.01 -2.90 -1.41 -10.23 -3.85 -2.33 2 0 26.53-999 ?-999 ?-999 ? MG MG B1001 mHIS~B 99 -9.18 -1.48 -0.63 -9.15 -1.23 -1.60 -9.14 -0.34 1.52 -8.83 -0.50 2.70 -8.30 -0.93 0.39 -7.40 0.17 -0.20 3 0 26.19-999 ?-999 ?-999 ? MG MG B1001 mHIS~B 100 -10.21 0.35 1.15 -10.35 0.41 0.17 -11.65 -0.12 3.07 -11.53 -0.03 4.29 -11.09 0.96 2.14 -12.23 1.69 1.45 3 0 28.29-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 101 -12.26 -1.15 2.49 -12.29 -1.12 1.49 -11.78 -2.83 4.23 -12.06 -3.06 5.41 -12.83 -2.21 3.31 -13.43 -3.30 2.42 3 0 30.95-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 102 -10.59 -3.10 3.70 -10.52 -2.86 2.73 -9.12 -2.79 5.66 -8.86 -3.29 6.76 -9.51 -3.69 4.49 -8.28 -3.92 3.61 2 0 31.14-999 ?-999 ?-999 ? MG MG B1001 mSER~B 103 -9.07 -1.48 5.44 -9.30 -1.18 4.51 -9.81 -0.56 7.56 -9.55 -0.49 8.76 -8.69 -0.59 6.53 -8.37 0.83 6.03 2 0 31.71-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 104 -11.06 -0.64 7.10 -11.15 -0.69 6.11 -12.12 -1.92 8.85 -12.66 -1.97 9.95 -12.17 -0.64 8.03 -13.52 -0.56 7.30 3 0 34.30-999 ?-999 ?-999 ? MG MG B1001 mALA~B 105 -11.46 -2.94 8.31 -11.06 -2.74 7.42 -10.09 -4.33 9.87 -9.80 -5.40 10.42 -11.34 -4.23 8.99 -11.35 -5.36 7.95 2 0 35.88-999 ?-999 ?-999 ? MG MG B1001 mGLY.B 106 -9.35 -3.23 10.00 -9.68 -2.44 9.49 -6.80 -3.34 10.17 -5.79 -3.38 10.87 -8.16 -3.22 10.84-999.99-999.99-999.99 1 0 36.25-999 ?-999 ?-999 ? MG MG B1001 mARG.B 107 -6.73 -3.40 8.85 -7.60 -3.36 8.36 -4.53 -2.31 8.55 -5.00 -1.17 8.61 -5.41 -3.51 8.22 -5.51 -3.65 6.69 2 0 33.31-999 ?-999 ?-999 ? MG MG B1001 mASP~B 108 -3.24 -2.60 8.76 -3.04 -3.58 8.67 -1.99 -0.72 7.85 -1.92 -1.22 6.73 -2.22 -1.61 9.07 -0.90 -2.31 9.44 2 0 33.04-999 ?-999 ?-999 ? MG MG B1001 mASP~B 109 -1.84 0.58 8.08 -1.92 0.85 9.04 -0.32 1.17 6.22 -0.29 1.28 5.01 -1.59 1.52 6.99 -1.45 2.94 7.52 2 0 30.19-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 110 0.72 0.75 6.94 0.56 0.73 7.92 1.77 -0.77 5.35 2.38 -0.82 4.27 1.98 0.38 6.31 3.02 0.00 7.37 3 0 29.67-999 ?-999 ?-999 ? MG MG B1001 mVAL~B 111 0.92 -1.72 5.73 0.51 -1.58 6.63 0.00 -2.29 3.58 0.47 -2.57 2.48 0.64 -2.84 4.86 -0.33 -3.84 5.52 3 0 29.28-999 ?-999 ?-999 ? MG MG B1001 mGLN~B 112 -1.05 -1.49 3.75 -1.31 -1.33 4.70 -0.81 -0.21 1.66 -0.85 -0.47 0.46 -1.76 -0.90 2.62 -2.83 0.09 3.10 2 0 26.66-999 ?-999 ?-999 ? MG MG B1001 mGLU~B 113 0.06 0.65 2.20 -0.01 0.76 3.19 1.93 0.41 0.58 2.21 0.64 -0.59 1.03 1.37 1.36 1.87 2.33 2.21 2 0 24.63-999 ?-999 ?-999 ? MG MG B1001 mASP~B 114 2.39 -0.66 1.23 2.11 -0.73 2.19 2.50 -2.20 -0.67 3.05 -2.31 -1.76 3.24 -1.63 0.54 3.62 -2.79 1.46 2 0 24.90-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 115 1.24 -2.57 -0.44 0.93 -2.43 0.50 0.18 -2.11 -2.61 0.25 -2.47 -3.78 0.40 -3.12 -1.49 -0.94 -3.57 -0.91 3 0 23.61-999 ?-999 ?-999 ? MG MG B1001 mARG~B 116 -0.08 -0.85 -2.24 -0.11 -0.70 -1.26 0.91 0.33 -4.12 0.81 0.46 -5.34 -0.31 0.21 -3.23 -0.59 1.55 -2.54 2 0 20.68-999 ?-999 ?-999 ? MG MG B1001 mARG~B 117 2.08 0.28 -3.48 2.01 0.18 -2.49 3.47 -0.82 -5.16 3.86 -0.65 -6.30 3.34 0.35 -4.19 4.52 0.33 -3.23 2 0 19.80-999 ?-999 ?-999 ? MG MG B1001 mLEU~B 118 3.13 -2.02 -4.69 2.83 -2.03 -3.74 2.28 -3.07 -6.73 2.68 -3.26 -7.88 3.22 -3.21 -5.54 2.85 -4.47 -4.77 3 0 20.24-999 ?-999 ?-999 ? MG MG B1001 mASP~B 119 1.03 -2.73 -6.44 0.85 -2.61 -5.46 0.45 -1.54 -8.52 0.29 -1.79 -9.71 0.03 -2.56 -7.46 -1.29 -2.11 -6.83 2 0 18.22-999 ?-999 ?-999 ? MG MG B1001 mALA~B 120 0.99 -0.40 -8.09 1.07 -0.31 -7.10 2.57 0.09 -9.87 2.64 0.30 -11.08 1.41 0.63 -9.05 1.82 1.90 -8.32 2 0 15.17-999 ?-999 ?-999 ? MG MG B1001 mPHE~B 121 3.48 -0.61 -9.20 3.31 -0.68 -8.22 4.14 -2.21 -10.91 4.61 -2.23 -12.05 4.63 -1.19 -9.87 5.53 -1.89 -8.85 3 0 15.81-999 ?-999 ?-999 ? MG MG B1001 mARG~B 122 3.20 -3.06 -10.50 2.90 -2.94 -9.56 1.99 -3.41 -12.61 2.23 -3.80 -13.76 2.66 -4.07 -11.40 1.66 -4.96 -10.67 2 0 16.25-999 ?-999 ?-999 ? MG MG B1001 mARG~B 123 1.17 -2.39 -12.35 1.08 -2.16 -11.38 1.45 -0.90 -14.32 1.12 -0.60 -15.46 0.49 -1.69 -13.43 -0.61 -0.79 -12.86 2 0 13.08-999 ?-999 ?-999 ? MG MG B1001 mGLY~B 124 2.63 -0.57 -13.82 2.80 -0.86 -12.87 4.11 -0.73 -15.74 4.56 -0.24 -16.78 3.60 0.16 -14.62-999.99-999.99-999.99 1 0 11.17-999 ?-999 ?-999 ? MG MG B1001 mGLY~B 125 4.05 -2.04 -15.51 3.67 -2.29 -14.62 6.01 -3.23 -16.51 6.75 -2.44 -15.93 4.51 -3.01 -16.49-999.99-999.99-999.99 1 0 12.76-999 ?-999 ?-999 ? MG MG B1001 mPRO.B 126 6.48 -4.31 -17.16 5.77 -4.87 -17.58 8.68 -3.41 -17.79 8.10 -2.56 -18.46 7.91 -4.62 -17.25 7.95 -5.81 -18.21 3 0 15.04-999 ?-999 ?-999 ? MG MG B1001 mSER.B 127 9.99 -3.36 -17.52 10.31 -4.14 -16.98 10.31 -1.50 -19.17 9.56 -0.53 -18.96 10.86 -2.27 -17.97 12.25 -2.80 -18.32 2 0 14.65-999 ?-999 ?-999 ? MG MG B1001