HEADER UNKNOWN FUNCTION 08-DEC-06 2O6W COMPND REPEAT FIVE RESIDUE (RFR) PROTEIN OR COMPND 3 PENTAPEPTIDE REPEAT PROTEIN; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CYANOTHECE; SOURCE 3 ORGANISM_TAXID: 43988; SOURCE 4 STRAIN: 51142; SOURCE 5 GENE: RFR23; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET30B AUTHOR M.A.KENNEDY,G.W.BUCHKO,S.NI,H.ROBINSON,H.B.PAKRASI HET MSE A 26 8 HET MSE A 74 8 HET ARS A 1 1 SSBOND 1 CYS A 39 CYS A 42 1555 1555 2.05 SITE 1 AC1 2 THR A 167 HOH A 218 mALA~A 25 -35.73 10.23 3.69 -35.85 9.24 3.63 -34.37 12.09 4.67 -34.11 11.45 5.68 -35.55 11.71 3.78 -36.82 12.36 4.30 2 0 38.31-999 ?-999 ?-999 ? AS ARS A 1 mMETA 26 -33.65 13.14 4.28 -33.97 13.57 3.43 -32.88 13.88 6.49 -32.13 13.58 7.41 -32.51 13.61 5.03 -31.95 14.89 4.41 2 0 36.48-999 ?-999 ?-999 ? AS ARS A 1 mTHR~A 27 -34.06 14.47 6.68 -34.56 14.66 5.83 -34.61 13.53 8.87 -34.23 13.55 10.04 -34.56 14.79 8.00 -35.96 15.44 7.89 2 0 39.58-999 ?-999 ?-999 ? AS ARS A 1 mASN~A 28 -35.06 12.42 8.28 -35.33 12.54 7.32 -33.77 10.59 9.31 -33.56 9.99 10.37 -35.15 11.16 8.99 -35.96 10.14 8.17 2 0 39.24-999 ?-999 ?-999 ? AS ARS A 1 mASN~A 29 -32.82 10.76 8.39 -33.12 11.24 7.56 -30.84 11.02 9.78 -30.24 10.41 10.66 -31.47 10.27 8.61 -30.60 10.46 7.36 2 0 35.57-999 ?-999 ?-999 ? AS ARS A 1 mLEU~A 30 -31.01 12.33 9.80 -31.54 12.69 9.03 -31.08 12.77 12.22 -30.40 12.84 13.24 -30.48 13.15 10.87 -30.75 14.63 10.59 3 0 36.54-999 ?-999 ?-999 ? AS ARS A 1 mTYR~A 31 -32.34 12.36 12.21 -32.78 12.35 11.31 -32.46 10.66 13.95 -32.22 10.50 15.14 -33.01 11.97 13.44 -34.51 11.82 13.22 3 0 39.39-999 ?-999 ?-999 ? AS ARS A 1 mARG~A 32 -32.26 9.71 13.04 -32.51 9.96 12.11 -30.32 8.61 13.99 -29.91 7.90 14.89 -31.71 8.42 13.42 -31.66 7.49 12.20 2 0 37.34-999 ?-999 ?-999 ? AS ARS A 1 mLEU~A 33 -29.59 9.59 13.46 -30.04 10.10 12.73 -28.19 10.46 15.32 -27.42 10.02 16.17 -28.23 9.86 13.92 -27.51 10.81 12.97 3 0 35.07-999 ?-999 ?-999 ? AS ARS A 1 mGLU~A 34 -29.00 11.49 15.53 -29.57 11.74 14.75 -29.66 11.33 17.92 -29.14 11.28 19.03 -29.04 12.17 16.81 -29.82 13.48 16.67 2 0 37.97-999 ?-999 ?-999 ? AS ARS A 1 mLEU~A 35 -30.76 10.65 17.61 -31.06 10.74 16.66 -31.04 8.37 18.67 -30.67 7.88 19.74 -31.45 9.84 18.60 -32.96 9.92 18.38 3 0 40.18-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 36 -31.12 7.67 17.54 -31.44 8.20 16.76 -29.29 5.98 17.42 -28.87 4.82 17.51 -30.79 6.25 17.47 -31.44 5.61 16.25 2 0 38.28-999 ?-999 ?-999 ? AS ARS A 1 mARG.A 37 -28.49 7.02 17.24 -28.97 7.90 17.16 -26.64 5.92 16.04 -25.74 5.10 16.22 -27.03 6.87 17.16 -26.48 6.32 18.47 2 0 35.25-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 38 -27.31 6.01 14.90 -28.03 6.70 14.90 -27.56 5.69 12.47 -28.37 6.61 12.47 -27.00 5.14 13.77 -27.55 3.73 14.01 2 0 32.95-999 ?-999 ?-999 ? AS ARS A 1 mCSS.A 39 -27.11 5.10 11.37 -26.43 4.39 11.54 -26.94 4.50 9.05 -26.34 4.90 8.05 -27.57 5.47 10.04 -27.18 6.91 9.70 2 0 31.60-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 40 -27.07 3.21 9.34 -27.58 3.04 10.19 -27.07 2.25 7.08 -28.28 2.38 6.88 -26.53 2.15 8.51 -26.89 0.75 9.10 3 0 29.59-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 41 -26.17 2.19 6.11 -25.22 2.10 6.42 -27.15 3.56 4.21 -27.55 3.64 3.06 -26.55 2.25 4.71-999.99-999.99-999.99 1 0 28.16-999 ?-999 ?-999 ? AS ARS A 1 mCSS.A 42 -27.23 4.57 5.07 -26.86 4.37 5.98 -26.99 6.50 3.56 -25.80 6.23 3.39 -27.80 5.85 4.68 -27.83 6.82 5.88 2 0 29.82-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 43 -27.65 7.35 2.78 -28.62 7.43 2.99 -26.83 9.50 2.22 -27.78 10.27 2.27 -26.99 8.08 1.71 -27.83 8.04 0.44 2 0 28.84-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 44 -25.60 9.83 2.61 -24.93 9.10 2.50 -24.22 11.84 2.32 -23.41 12.60 2.85 -25.28 11.14 3.15 -24.78 10.98 4.59 3 0 28.64-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 45 -24.23 11.59 1.02 -24.95 10.96 0.72 -23.29 13.72 0.15 -24.36 14.32 0.03 -23.25 12.19 0.12 -23.48 11.73 -1.32 2 0 26.64-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 46 -22.13 14.35 0.29 -21.34 13.75 0.40 -22.68 16.56 1.45 -22.77 17.79 1.37 -22.07 15.79 0.29-999.99-999.99-999.99 1 0 27.54-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 47 -23.09 15.89 2.52 -22.97 14.90 2.49 -22.60 17.47 4.34 -21.41 17.17 4.29 -23.66 16.63 3.65 -24.31 15.71 4.73 3 0 30.02-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 48 -23.06 18.54 4.99 -24.05 18.66 4.94 -22.38 19.27 7.21 -23.28 19.87 7.79 -22.17 19.44 5.70 -22.46 20.89 5.30 2 0 31.17-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 49 -21.56 18.43 7.82 -20.88 18.00 7.23 -20.34 18.44 9.98 -19.83 17.57 10.68 -21.67 18.19 9.26 -22.16 16.77 9.52 3 0 31.42-999 ?-999 ?-999 ? AS ARS A 1 mPRO.A 50 -19.75 19.64 9.80 -20.22 20.28 9.19 -18.69 20.20 11.96 -19.77 20.62 12.39 -18.49 19.91 10.48 -17.94 21.12 9.72 3 0 30.97-999 ?-999 ?-999 ? AS ARS A 1 mARG.A 51 -17.64 19.97 12.74 -16.84 19.60 12.25 -18.81 19.57 14.92 -19.38 20.17 15.82 -17.66 20.22 14.17 -17.68 21.73 14.40 2 0 32.64-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 52 -19.16 18.34 14.56 -18.64 17.96 13.79 -19.61 16.60 16.20 -18.42 16.28 16.11 -20.23 17.64 15.26 -21.18 16.96 14.27 2 0 33.27-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 53 -20.42 16.08 17.11 -21.36 16.41 17.10 -20.65 13.75 17.88 -21.75 13.57 18.38 -19.92 15.08 18.04 -20.04 15.60 19.47 2 0 33.58-999 ?-999 ?-999 ? AS ARS A 1 mPHE.A 54 -20.02 12.83 17.16 -19.14 13.14 16.79 -19.66 10.48 17.59 -19.58 9.35 17.15 -20.57 11.51 16.93 -20.62 11.19 15.43 3 0 31.78-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 55 -18.96 10.89 18.65 -19.11 11.84 18.93 -18.47 9.52 20.71 -19.54 9.89 21.19 -18.05 9.98 19.32-999.99-999.99-999.99 1 0 31.43-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 56 -17.61 8.72 21.34 -16.79 8.51 20.81 -16.95 8.81 23.74 -16.82 8.25 24.82 -17.86 8.20 22.68 -17.68 6.68 22.70 3 0 33.46-999 ?-999 ?-999 ? AS ARS A 1 mLYS.A 57 -16.33 9.94 23.44 -16.51 10.31 22.53 -16.10 11.58 25.30 -15.88 11.59 26.51 -15.44 10.55 24.41 -14.24 11.19 23.72 2 0 34.34-999 ?-999 ?-999 ? AS ARS A 1 mTYR.A 58 -16.92 12.44 24.72 -17.04 12.32 23.73 -19.04 13.59 25.21 -19.57 12.91 24.34 -17.56 13.47 25.51 -16.91 14.83 25.24 3 0 37.20-999 ?-999 ?-999 ? AS ARS A 1 mARG.A 59 -19.68 14.48 25.95 -19.11 14.93 26.64 -21.33 16.17 26.30 -20.68 16.60 27.26 -21.10 14.76 25.78 -21.95 13.74 26.55 2 0 39.67-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 60 -22.23 16.91 25.65 -22.66 16.44 24.88 -23.98 18.36 26.58 -24.93 18.38 25.80 -22.54 18.28 26.07 -22.39 19.30 24.90 3 0 42.07-999 ?-999 ?-999 ? AS ARS A 1 mPRO.A 61 -24.14 18.41 27.92 -23.28 18.38 28.43 -26.06 19.90 28.51 -26.83 20.23 27.61 -25.46 18.49 28.57 -25.15 18.05 30.00 3 0 45.57-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 65 -24.08 26.81 26.05 -24.84 27.02 25.44 -22.12 25.34 26.41 -22.10 24.25 26.99 -22.97 26.50 26.95 -23.50 26.15 28.35 2 0 47.03-999 ?-999 ?-999 ? AS ARS A 1 mPRO.A 66 -21.39 25.58 25.31 -21.48 26.51 24.95 -19.27 24.21 25.48 -18.42 23.47 24.99 -20.53 24.56 24.68 -20.21 25.18 23.33 3 0 43.25-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 67 -19.16 24.74 26.69 -19.92 25.33 26.97 -18.28 23.46 28.63 -17.40 23.10 29.40 -17.99 24.46 27.52 -17.44 25.76 28.10 3 0 44.05-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 68 -19.53 23.02 28.70 -20.15 23.40 28.01 -19.49 20.65 29.28 -19.83 19.65 29.91 -19.94 22.05 29.71 -21.48 22.06 29.90 3 0 45.24-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 69 -18.72 20.60 28.19 -18.53 21.49 27.78 -17.55 18.49 28.74 -16.61 18.95 29.41 -18.23 19.33 27.66 -17.22 19.58 26.51 2 0 41.63-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 70 -18.02 17.26 28.90 -18.76 17.02 28.28 -17.48 14.90 29.45 -18.40 14.46 28.75 -17.48 16.35 29.90 -18.28 16.45 31.22 2 0 41.82-999 ?-999 ?-999 ? AS ARS A 1 mPRO.A 71 -16.45 14.13 29.83 -15.76 14.61 30.38 -17.18 11.84 30.39 -17.62 10.75 30.00 -16.34 12.72 29.46 -14.85 12.44 29.61 3 0 39.69-999 ?-999 ?-999 ? AS ARS A 1 mPHE.A 72 -17.41 12.33 31.60 -17.00 13.22 31.76 -19.63 11.39 32.14 -20.26 12.30 31.60 -18.19 11.60 32.60 -18.16 12.36 33.93 3 0 42.82-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 73 -20.14 10.18 32.36 -19.52 9.54 32.81 -21.51 9.13 30.63 -22.58 8.87 30.06 -21.49 9.86 31.96-999.99-999.99-999.99 1 0 43.37-999 ?-999 ?-999 ? AS ARS A 1 mMETA 74 -20.33 8.80 30.12 -19.55 9.08 30.69 -19.86 6.63 29.05 -19.71 5.87 28.09 -20.19 8.10 28.85 -19.09 8.76 28.00 2 0 39.73-999 ?-999 ?-999 ? AS ARS A 1 mASP.A 75 -19.76 6.22 30.32 -19.92 6.94 30.99 -20.44 3.87 30.01 -20.06 2.76 29.63 -19.45 4.84 30.67 -19.48 4.66 32.19 2 0 40.39-999 ?-999 ?-999 ? AS ARS A 1 mLYS.A 76 -21.69 4.29 29.88 -21.86 5.21 30.24 -23.34 4.17 28.05 -24.45 4.69 28.11 -22.73 3.46 29.26 -23.83 3.14 30.28 2 0 40.76-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 77 -22.59 4.18 26.94 -21.71 3.72 27.04 -22.60 3.95 24.52 -21.51 3.38 24.54 -23.04 4.81 25.70 -22.46 6.21 25.58 2 0 38.21-999 ?-999 ?-999 ? AS ARS A 1 mLYS.A 78 -23.44 3.87 23.49 -24.29 4.38 23.60 -22.46 3.90 21.22 -22.75 5.09 21.07 -23.10 3.07 22.32 -24.35 2.38 21.75 2 0 35.45-999 ?-999 ?-999 ? AS ARS A 1 mPRO.A 79 -21.56 3.29 20.45 -21.40 2.33 20.68 -21.82 4.18 18.16 -22.65 3.32 17.88 -20.88 3.99 19.36 -19.70 3.07 19.04 3 0 31.88-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 80 -21.69 5.32 17.48 -20.99 5.94 17.83 -22.23 4.57 15.24 -21.07 4.30 14.93 -22.53 5.59 16.33 -22.28 7.02 15.81 3 0 31.12-999 ?-999 ?-999 ? AS ARS A 1 mASP.A 81 -23.28 4.00 14.66 -24.17 4.32 15.00 -23.41 3.52 12.23 -24.56 3.82 11.89 -23.12 2.98 13.63 -24.03 1.79 13.93 2 0 29.47-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 82 -22.37 3.63 11.42 -21.50 3.34 11.82 -22.01 3.10 9.03 -21.42 3.45 8.00 -22.50 4.13 10.06 -21.73 5.45 9.91 3 0 27.06-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 83 -22.26 1.83 9.33 -22.74 1.71 10.20 -22.51 0.90 7.10 -23.69 1.23 6.99 -21.89 0.72 8.47 -22.40 -0.63 9.03 2 0 25.40-999 ?-999 ?-999 ? AS ARS A 1 mARG.A 84 -21.70 0.66 6.07 -20.78 0.40 6.34 -22.71 2.13 4.29 -23.35 2.26 3.25 -22.12 0.77 4.68 -23.12 -0.34 4.34 2 0 23.92-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 85 -22.49 3.15 5.12 -21.96 2.92 5.94 -22.17 5.13 3.71 -21.00 4.81 3.54 -23.01 4.47 4.81 -23.01 5.35 6.05 2 0 25.19-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 86 -22.79 6.03 2.96 -23.75 6.18 3.17 -21.95 8.19 2.36 -22.95 8.90 2.46 -22.07 6.74 1.91 -22.82 6.68 0.58 2 0 23.93-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 87 -20.72 8.62 2.62 -20.01 7.93 2.48 -19.53 10.70 2.08 -18.93 11.72 2.41 -20.44 9.97 3.07 -19.79 9.92 4.45 3 0 23.94-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 88 -19.44 10.16 0.87 -20.00 9.34 0.75 -18.74 12.26 -0.34 -19.84 12.78 -0.45 -18.61 10.74 -0.19 -18.94 10.07 -1.53 2 0 21.89-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 89 -17.61 12.95 -0.35 -16.78 12.41 -0.22 -18.32 15.14 0.60 -18.64 16.32 0.47 -17.62 14.40 -0.53 -18.29 14.74 -1.86 2 0 23.08-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 90 -18.59 14.45 1.70 -18.31 13.49 1.68 -18.18 15.86 3.62 -17.00 15.57 3.51 -19.24 15.10 2.83 -19.91 14.07 3.72 2 0 25.51-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 91 -18.61 16.85 4.39 -19.60 17.00 4.37 -17.83 17.31 6.69 -18.85 17.63 7.31 -17.68 17.62 5.20 -17.89 19.12 4.98 2 0 26.75-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 92 -16.81 16.69 7.26 -16.04 16.49 6.65 -15.69 17.02 9.44 -15.30 16.60 10.53 -16.82 16.34 8.69 -16.72 14.82 8.84 3 0 26.85-999 ?-999 ?-999 ? AS ARS A 1 mTYR.A 93 -15.17 18.09 8.85 -15.60 18.31 7.97 -14.23 19.08 10.94 -15.27 19.52 11.42 -14.08 18.87 9.43 -13.99 20.23 8.73 3 0 27.31-999 ?-999 ?-999 ? AS ARS A 1 mGLN.A 94 -13.17 18.74 11.68 -12.41 18.38 11.13 -14.21 18.17 13.91 -14.51 18.55 15.03 -13.11 18.87 13.13 -13.10 20.34 13.54 2 0 28.90-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 95 -14.81 17.14 13.33 -14.48 16.93 12.41 -15.28 15.28 14.88 -14.21 14.74 14.58 -15.86 16.40 14.01 -16.82 15.79 12.99 2 0 29.31-999 ?-999 ?-999 ? AS ARS A 1 mASP.A 96 -15.96 14.95 15.97 -16.79 15.50 16.12 -16.19 12.61 16.33 -17.42 12.53 16.26 -15.51 13.88 16.85 -15.95 14.14 18.30 2 0 29.74-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 97 -15.38 11.61 15.97 -14.41 11.82 16.08 -15.27 9.19 16.24 -15.16 8.07 15.74 -15.90 10.35 15.46 -15.54 10.21 13.97 3 0 27.46-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 98 -14.87 9.46 17.48 -15.04 10.40 17.79 -15.09 7.16 18.45 -16.27 7.23 18.76 -14.24 8.43 18.29 -13.84 8.99 19.67 2 0 28.08-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 99 -14.46 6.01 18.19 -13.51 6.13 17.92 -16.27 4.51 17.33 -17.08 3.59 17.49 -15.11 4.71 18.31 -15.62 4.50 19.74 2 0 27.68-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 100 -16.34 5.36 16.32 -15.62 6.05 16.29 -17.26 4.00 14.48 -16.15 3.50 14.28 -17.41 5.25 15.34 -17.43 6.48 14.41 3 0 26.84-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 101 -18.38 3.50 13.97 -19.20 4.01 14.21 -18.63 2.68 11.66 -19.76 2.99 11.26 -18.38 2.31 13.12 -19.44 1.30 13.61 3 0 25.49-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 102 -17.56 2.65 10.87 -16.72 2.39 11.33 -17.21 1.78 8.61 -16.58 1.93 7.56 -17.63 2.98 9.45 -16.73 4.18 9.14 3 0 22.62-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 103 -17.55 0.59 9.07 -18.05 0.60 9.94 -17.85 -0.63 6.98 -19.04 -0.34 6.86 -17.18 -0.62 8.35 -17.60 -1.85 9.16 2 0 21.41-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 104 -17.07 -0.92 5.95 -16.12 -1.10 6.20 -18.27 0.32 4.17 -19.17 0.31 3.33 -17.56 -0.97 4.58 -18.49 -2.17 4.42 2 0 19.75-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 105 -17.85 1.43 4.76 -17.11 1.30 5.42 -17.75 3.34 3.23 -16.58 3.06 2.95 -18.43 2.72 4.45 -18.30 3.64 5.64 2 0 20.63-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 106 -18.47 4.19 2.51 -19.40 4.32 2.85 -17.61 6.30 1.75 -18.51 7.06 2.11 -17.92 4.86 1.34 -18.94 4.84 0.17 3 0 19.43-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 107 -16.33 6.66 1.70 -15.71 5.95 1.37 -14.98 8.61 1.03 -13.91 9.14 1.35 -15.89 8.00 2.09 -15.16 7.92 3.43 3 0 18.94-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 108 -15.40 8.54 -0.23 -16.29 8.10 -0.34 -14.54 10.60 -1.32 -15.57 11.27 -1.38 -14.61 9.08 -1.33 -15.19 8.60 -2.69 3 0 17.47-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 109 -13.33 11.14 -1.24 -12.59 10.47 -1.20 -13.81 13.27 -0.06 -14.18 14.44 -0.15 -13.11 12.58 -1.23 -13.60 13.20 -2.54 2 0 18.45-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 110 -13.97 12.55 1.04 -13.62 11.61 0.97 -13.64 13.96 2.99 -12.44 13.65 3.04 -14.62 13.09 2.22 -15.11 11.96 3.15 2 0 20.71-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 111 -14.12 15.04 3.60 -15.10 15.21 3.47 -13.22 15.42 5.84 -14.12 15.75 6.61 -13.23 15.89 4.38 -13.66 17.36 4.33 2 0 22.46-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 112 -12.20 14.65 6.21 -11.55 14.45 5.48 -10.91 14.81 8.30 -10.39 14.26 9.26 -12.07 14.15 7.57 -11.86 12.63 7.58 3 0 22.12-999 ?-999 ?-999 ? AS ARS A 1 mSER.A 113 -10.49 15.99 7.84 -10.99 16.35 7.05 -9.66 17.11 9.91 -10.76 17.57 10.22 -9.36 16.65 8.48 -8.86 17.83 7.64 2 0 23.03-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 114 -8.66 16.96 10.77 -7.84 16.57 10.36 -9.91 16.63 12.90 -10.45 17.16 13.87 -8.76 17.31 12.18 -8.84 18.83 12.34 2 0 25.52-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 115 -10.29 15.45 12.44 -9.80 15.13 11.62 -10.75 13.77 14.13 -9.56 13.42 14.06 -11.36 14.70 13.09 -12.17 13.84 12.10 2 0 25.51-999 ?-999 ?-999 ? AS ARS A 1 mASP.A 116 -11.55 13.36 15.09 -12.48 13.73 15.06 -11.64 11.07 15.71 -12.83 10.83 15.82 -11.08 12.44 16.11 -11.60 12.85 17.50 2 0 26.42-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 117 -10.78 10.19 15.20 -9.84 10.53 15.13 -10.57 7.78 15.68 -10.32 6.66 15.24 -11.19 8.86 14.79 -10.83 8.61 13.32 3 0 23.91-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 118 -10.31 8.13 16.94 -10.56 9.07 17.18 -10.59 5.93 18.06 -11.79 6.04 18.27 -9.72 7.18 17.86 -9.45 7.83 19.21 2 0 25.32-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 119 -9.95 4.77 17.96 -8.98 4.86 17.77 -11.77 3.30 17.14 -12.69 2.53 17.39 -10.62 3.47 18.11 -11.13 3.30 19.55 2 0 25.13-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 120 -11.72 4.03 16.04 -10.92 4.62 15.95 -12.63 2.64 14.26 -11.55 2.07 14.17 -12.77 3.93 15.05 -12.73 5.11 14.12 2 0 23.60-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 121 -13.73 2.18 13.69 -14.56 2.72 13.85 -13.88 1.34 11.45 -14.98 1.70 11.03 -13.69 0.97 12.91 -14.79 -0.01 13.35 3 0 22.09-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 122 -12.80 1.26 10.67 -11.97 0.97 11.14 -12.54 0.41 8.36 -12.00 0.57 7.27 -12.88 1.60 9.26 -11.94 2.77 8.95 3 0 18.84-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 123 -12.87 -0.80 8.83 -13.31 -0.78 9.73 -13.26 -1.98 6.70 -14.45 -1.75 6.58 -12.60 -2.01 8.07 -13.10 -3.26 8.83 3 0 17.84-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 124 -12.45 -2.21 5.67 -11.49 -2.37 5.90 -13.52 -0.91 3.81 -14.15 -0.87 2.75 -12.97 -2.22 4.32-999.99-999.99-999.99 1 0 15.79-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 125 -13.29 0.17 4.55 -12.77 0.01 5.38 -13.11 1.96 2.85 -11.96 1.65 2.59 -13.79 1.48 4.13 -13.58 2.51 5.24 2 0 16.28-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 126 -13.85 2.72 2.05 -14.78 2.88 2.36 -13.00 4.74 1.06 -13.91 5.57 1.01 -13.29 3.26 0.82 -14.29 3.08 -0.32 2 0 14.65-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 127 -11.73 5.06 1.33 -11.11 4.28 1.33 -10.55 7.07 0.44 -9.72 7.96 0.65 -11.32 6.43 1.60 -10.47 6.47 2.87 3 0 14.34-999 ?-999 ?-999 ? AS ARS A 1 mGLN.A 128 -10.84 6.63 -0.78 -11.55 5.93 -0.81 -10.24 8.67 -2.10 -11.32 9.24 -2.17 -10.15 7.15 -1.95 -10.70 6.49 -3.21 2 0 12.66-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 129 -9.07 9.30 -2.13 -8.27 8.71 -2.05 -9.48 11.48 -1.03 -9.65 12.70 -1.06 -9.00 10.74 -2.26-999.99-999.99-999.99 1 0 14.17-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 130 -9.69 10.76 0.07 -9.49 9.78 -0.02 -9.11 12.27 1.95 -7.92 12.00 1.86 -10.16 11.39 1.30 -10.62 10.32 2.28 2 0 16.29-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 131 -9.56 13.33 2.60 -10.55 13.45 2.59 -8.67 13.91 4.78 -9.68 14.17 5.43 -8.64 14.21 3.28 -9.02 15.66 2.99 2 0 18.31-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 132 -7.58 13.36 5.31 -6.84 13.18 4.66 -6.43 13.86 7.46 -5.97 13.47 8.52 -7.51 13.05 6.75 -7.25 11.56 7.00 3 0 18.74-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 133 -6.06 14.99 6.88 -6.54 15.22 6.04 -5.19 16.14 8.95 -6.25 16.59 9.39 -5.01 15.82 7.47 -4.86 17.11 6.66 2 0 20.40-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 134 -4.13 15.90 9.72 -3.35 15.52 9.21 -5.20 15.41 11.92 -5.56 15.80 13.03 -4.11 16.14 11.15 -4.21 17.64 11.42 2 0 22.79-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 135 -5.72 14.36 11.32 -5.35 14.16 10.42 -6.08 12.67 13.00 -4.90 12.35 12.88 -6.75 13.56 11.96 -7.47 12.72 10.92 2 0 22.29-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 136 -6.82 12.27 14.02 -7.75 12.63 14.04 -6.83 9.96 14.75 -8.03 9.76 14.81 -6.26 11.37 15.02 -6.63 11.86 16.43 2 0 23.36-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 137 -5.95 9.01 14.42 -5.00 9.32 14.40 -5.84 6.62 15.11 -5.66 5.44 14.77 -6.38 7.64 14.12 -5.95 7.23 12.71 3 0 21.02-999 ?-999 ?-999 ? AS ARS A 1 mGLN.A 138 -5.57 7.06 16.33 -5.77 8.03 16.47 -5.98 5.03 17.66 -7.17 5.23 17.92 -5.04 6.18 17.36 -4.76 6.96 18.64 2 0 23.17-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 139 -5.43 3.82 17.62 -4.45 3.80 17.39 -7.28 2.36 16.87 -8.08 1.46 17.05 -6.21 2.64 17.90-999.99-999.99-999.99 1 0 23.29-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 140 -7.30 3.12 15.78 -6.59 3.83 15.74 -7.97 1.68 13.90 -6.80 1.35 13.72 -8.31 2.90 14.75 -8.44 4.13 13.85 2 0 21.07-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 141 -9.01 1.03 13.40 -9.90 1.42 13.63 -9.18 0.14 11.11 -10.34 0.38 10.79 -8.83 -0.16 12.57 -9.72 -1.30 13.08 2 0 19.13-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 142 -8.18 0.11 10.24 -7.29 -0.10 10.65 -8.08 -0.82 7.93 -7.71 -0.64 6.78 -8.39 0.37 8.83 -7.55 1.57 8.37 3 0 15.67-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 143 -8.25 -2.04 8.45 -8.59 -2.05 9.39 -8.65 -3.26 6.30 -9.86 -3.04 6.20 -7.95 -3.23 7.66 -8.32 -4.50 8.43 2 0 14.80-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 144 -7.88 -3.52 5.25 -6.91 -3.65 5.48 -9.00 -2.30 3.39 -9.69 -2.28 2.37 -8.39 -3.60 3.90 -9.43 -4.71 3.81 2 0 12.34-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 145 -8.74 -1.21 4.10 -8.17 -1.35 4.91 -8.55 0.56 2.44 -7.37 0.26 2.24 -9.29 0.06 3.68 -9.16 1.07 4.81 2 0 12.31-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 146 -9.26 1.31 1.60 -10.21 1.45 1.87 -8.23 3.32 0.62 -9.07 4.22 0.79 -8.68 1.88 0.39 -9.68 1.83 -0.77 2 0 10.09-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 147 -6.92 3.55 0.63 -6.36 2.74 0.48 -5.73 5.49 -0.40 -4.86 6.35 -0.29 -6.37 4.88 0.85 -5.33 4.84 1.97 3 0 9.59-999 ?-999 ?-999 ? AS ARS A 1 mARG.A 148 -6.16 5.04 -1.57 -6.87 4.34 -1.51 -5.90 7.05 -2.98 -7.05 7.47 -2.95 -5.63 5.56 -2.83 -6.24 4.83 -4.03 2 0 8.07-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 149 -4.84 7.83 -3.15 -3.96 7.36 -3.15 -5.38 10.00 -2.07 -5.49 11.23 -2.08 -5.01 9.26 -3.33-999.99-999.99-999.99 1 0 10.58-999 ?-999 ?-999 ? AS ARS A 1 mALA.A 150 -5.59 9.27 -0.98 -5.46 8.29 -1.11 -4.79 10.68 0.87 -3.64 10.31 0.66 -5.96 9.90 0.29 -6.41 8.84 1.27 2 0 12.47-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 151 -5.07 11.75 1.60 -6.04 11.98 1.69 -3.95 12.29 3.71 -4.91 12.60 4.41 -3.97 12.51 2.19 -4.05 14.05 1.78 3 0 14.68-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 152 -2.85 11.72 4.22 -2.14 11.50 3.55 -1.66 12.23 6.40 -1.14 11.78 7.42 -2.74 11.45 5.65 -2.56 9.94 5.90 3 0 15.47-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 153 -1.36 13.42 5.91 -1.88 13.66 5.08 -0.69 14.66 7.96 -1.82 15.03 8.28 -0.37 14.30 6.51 -0.27 15.61 5.72 2 0 17.98-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 154 0.32 14.57 8.83 1.19 14.26 8.43 -0.78 13.97 11.02 -1.18 14.30 12.13 0.14 14.90 10.23-999.99-999.99-999.99 1 0 20.87-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 155 -1.10 12.82 10.45 -0.70 12.66 9.55 -1.31 11.10 12.25 -0.15 10.69 12.14 -1.98 11.88 11.12 -2.57 10.86 10.13 3 0 19.64-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 156 -2.03 10.90 13.35 -2.94 11.32 13.33 -1.83 8.66 14.22 -2.97 8.24 14.34 -1.51 10.14 14.49 -2.17 10.61 15.80 2 0 21.48-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 157 -0.80 7.89 13.86 0.08 8.38 13.82 -0.48 5.57 14.69 0.02 4.47 14.45 -0.95 6.47 13.56 -0.17 6.13 12.28 3 0 19.10-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 158 -0.65 6.04 15.92 -1.08 6.94 15.97 -1.18 4.11 17.35 -2.33 4.31 17.72 -0.23 5.27 17.09 -0.18 6.16 18.34 2 0 22.13-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 159 -0.68 2.89 17.15 0.28 2.89 16.86 -2.61 1.60 16.35 -3.69 1.08 16.65 -1.47 1.69 17.36 -2.03 1.65 18.78 2 0 21.86-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 160 -2.37 2.12 15.15 -1.45 2.51 15.06 -3.13 0.86 13.24 -2.03 0.63 12.74 -3.35 2.10 14.09 -3.22 3.35 13.19 2 0 18.90-999 ?-999 ?-999 ? AS ARS A 1 mHIS.A 161 -4.18 0.06 13.08 -5.01 0.38 13.53 -4.21 -0.86 10.81 -5.30 -0.53 10.32 -4.10 -1.17 12.30 -5.22 -2.12 12.72 3 0 17.23-999 ?-999 ?-999 ? AS ARS A 1 mLEU.A 162 -3.10 -0.98 10.08 -2.30 -1.27 10.59 -2.95 -1.91 7.76 -2.60 -1.80 6.59 -3.11 -0.68 8.65 -2.01 0.32 8.31 3 0 13.43-999 ?-999 ?-999 ? AS ARS A 1 mLYS.A 163 -3.22 -3.08 8.33 -3.51 -3.02 9.29 -3.99 -4.35 6.34 -5.18 -4.05 6.39 -3.11 -4.33 7.60 -3.49 -5.49 8.51 2 0 13.12-999 ?-999 ?-999 ? AS ARS A 1 mGLY.A 164 -3.38 -4.69 5.20 -2.40 -4.87 5.29 -4.60 -3.54 3.25 -5.33 -3.63 2.27 -4.11 -4.79 3.95-999.99-999.99-999.99 1 0 10.47-999 ?-999 ?-999 ? AS ARS A 1 mILE.A 165 -4.20 -2.36 3.73 -3.61 -2.41 4.53 -4.10 -1.02 1.66 -3.09 -1.64 1.34 -4.64 -1.11 3.09 -4.16 0.14 3.87 3 0 8.88-999 ?-999 ?-999 ? AS ARS A 1 mGLU.A 166 -4.78 -0.26 0.82 -5.58 0.18 1.22 -3.92 1.37 -0.74 -4.55 2.29 -0.23 -4.36 -0.08 -0.56 -5.53 -0.39 -1.50 2 0 5.81-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 167 -2.82 1.57 -1.46 -2.39 0.74 -1.81 -1.81 3.06 -3.12 -1.88 2.13 -3.91 -2.31 2.92 -1.69 -1.15 3.26 -0.72 2 0 -4.60-999 ?-999 ?-999 ? AS ARS A 1s mASP.A 168 -1.32 4.25 -3.46 -1.34 4.94 -2.73 0.13 5.70 -4.75 0.37 6.26 -3.68 -0.80 4.49 -4.79 -1.94 4.73 -5.79 2 0 4.58-999 ?-999 ?-999 ? AS ARS A 1 mLYS.A 169 0.64 6.10 -5.91 0.36 5.57 -6.70 0.88 8.53 -5.49 1.56 9.48 -5.09 1.56 7.24 -5.95 2.10 7.42 -7.38 2 0 7.56-999 ?-999 ?-999 ? AS ARS A 1 mASN.A 170 -0.45 8.56 -5.53 -0.86 7.71 -5.87 -1.44 9.83 -3.62 -1.78 10.89 -3.10 -1.22 9.73 -5.13 -2.57 9.73 -5.84 2 0 9.83-999 ?-999 ?-999 ? AS ARS A 1 mTHR.A 171 -1.25 8.71 -2.91 -1.00 7.92 -3.46 -0.31 9.51 -0.85 0.88 9.29 -1.13 -1.41 8.66 -1.46 -1.29 7.22 -0.93 2 0 9.25-999 ?-999 ?-999 ? AS ARS A 1 mVAL.A 172 -0.69 10.47 -0.02 -1.68 10.51 0.12 0.39 11.04 2.10 -0.61 11.00 2.80 0.26 11.36 0.62 -0.19 12.81 0.45 3 0 12.42-999 ?-999 ?-999 ? AS ARS A 1 mTRP.A 173 1.62 10.83 2.57 2.34 10.91 1.89 2.53 11.65 4.73 2.44 11.72 5.96 1.85 10.51 3.98 2.70 9.25 4.11 3 0 13.56-999 ?-999 ?-999 ? AS ARS A 1 mASP.A 174 3.21 12.52 4.00 3.20 12.34 3.02 3.61 14.97 3.91 3.02 14.94 2.81 3.92 13.65 4.60 5.42 13.40 4.54 2 0 16.81-999 ?-999 ?-999 ? AS ARS A 1