HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-JUL-08 3DN7 COMPND CYCLIC NUCLEOTIDE BINDING REGULATORY PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII; SOURCE 3 ORGANISM_TAXID: 269798; SOURCE 4 STRAIN: ATCC 33406; SOURCE 5 GENE: CHU_1942; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR J.OSIPIUK,N.MALTSEVA,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 83 8 HET MSE A 145 8 HET MSE B 1 8 HET MSE B 83 8 HET MSE B 145 8 HET EDO B 202 4 HET EDO B 203 4 HET GOL B 201 6 SITE 1 AC1 2 HIS B 8 ASN B 76 SITE 1 AC2 5 ARG A 33 PHE B 14 LEU B 15 ASP B 19 SITE 1 AC3 6 GLN B 71 PHE B 72 ALA B 73 ILE B 74 mMETA 1 -2.19 86.93 8.91 -2.51 87.87 8.96 -0.82 85.12 7.66 -1.25 85.20 6.50 -1.72 85.50 8.85 -2.94 84.60 8.80 2 0 29.39-999 ?-999 ?-999 ? O1 EDO B 203 mHIS~A 2 0.41 84.66 7.93 0.62 84.59 8.91 1.30 82.83 6.63 2.06 82.05 7.22 1.36 84.31 6.87 2.77 84.74 7.25 3 0 29.44-999 ?-999 ?-999 ? O1 EDO B 203 mTHR~A 3 0.39 82.43 5.77 -0.03 83.18 5.25 1.25 80.08 5.37 1.34 79.05 6.00 0.04 81.02 5.61 -1.00 80.91 4.48 2 0 30.24-999 ?-999 ?-999 ? O1 EDO B 203 mALA~A 4 2.14 80.43 4.45 1.95 81.31 4.01 4.13 79.30 5.36 4.58 78.17 5.58 3.29 79.58 4.13 4.15 80.25 3.08 2 0 30.29-999 ?-999 ?-999 ? O1 EDO B 203 mLEU~A 5 4.38 80.35 6.15 3.93 81.19 5.85 4.55 79.42 8.41 5.15 78.55 9.03 5.23 80.26 7.34 5.53 81.65 7.85 3 0 26.84-999 ?-999 ?-999 ? O1 EDO B 203 mILE~A 6 3.25 79.67 8.61 2.85 80.39 8.05 2.45 77.42 9.24 2.57 76.59 10.11 2.50 78.91 9.61 1.07 79.47 9.85 3 0 25.31-999 ?-999 ?-999 ? O1 EDO B 203 mASN~A 7 2.26 77.10 7.95 2.20 77.89 7.34 3.48 75.03 7.79 3.53 73.87 8.21 2.17 75.71 7.51 1.88 75.62 6.01 2 0 27.13-999 ?-999 ?-999 ? O1 EDO B 203 mHIS~A 8 4.56 75.75 7.53 4.41 76.69 7.22 6.06 74.86 9.21 6.56 73.79 9.61 5.86 75.12 7.72 7.00 75.98 7.16 3 0 25.85-999 ?-999 ?-999 ? O1 EDO B 203 mILE~A 9 5.75 75.86 10.03 5.40 76.68 9.58 5.11 74.60 12.03 5.58 73.81 12.84 5.93 75.73 11.48 5.58 77.03 12.22 3 0 22.19-999 ?-999 ?-999 ? O1 EDO B 203 mARG~A 10 3.87 74.49 11.54 3.62 75.18 10.86 3.45 72.03 11.63 2.92 71.04 12.16 2.99 73.42 12.00 1.55 73.68 11.54 2 0 22.71-999 ?-999 ?-999 ? O1 EDO B 203 mLYS~A 11 4.39 71.91 10.69 4.65 72.75 10.22 5.82 70.10 11.62 6.08 68.92 11.73 4.97 70.59 10.44 5.85 70.57 9.18 2 0 23.91-999 ?-999 ?-999 ? O1 EDO B 203 mPHE.A 12 6.23 71.01 12.51 5.87 71.93 12.36 6.57 70.81 15.00 7.01 70.13 15.97 7.14 70.63 13.60 8.45 71.43 13.48 3 0 20.36-999 ?-999 ?-999 ? O1 EDO B 203 mILE.A 13 5.63 71.72 15.13 5.38 72.17 14.27 3.54 72.19 16.32 2.99 72.36 15.22 5.05 72.03 16.44 5.67 73.31 17.09 3 0 18.05-999 ?-999 ?-999 ? O1 EDO B 203 mPHE.A 14 2.86 72.15 17.47 3.38 71.81 18.26 1.43 74.10 17.75 2.23 74.66 18.51 1.48 72.57 17.55 0.73 71.82 18.69 3 0 18.62-999 ?-999 ?-999 ? C1 EDO B 203 mLEU.A 15 0.51 74.76 17.06 -0.04 74.18 16.46 -1.14 76.56 17.04 -1.77 76.25 16.03 0.34 76.21 17.16 1.16 76.89 16.04 3 0 19.43-999 ?-999 ?-999 ? O1 EDO B 203 mTHR~A 16 -1.71 77.19 18.07 -1.14 77.28 18.88 -3.18 78.75 16.84 -2.20 79.41 16.48 -3.07 77.71 17.96 -3.59 78.34 19.28 2 0 21.15-999 ?-999 ?-999 ? O1 EDO B 203 mASP~A 17 -4.39 78.90 16.31 -5.08 78.25 16.65 -4.37 81.29 15.89 -3.88 82.17 15.17 -4.68 79.91 15.31 -6.16 79.83 14.90 2 0 24.48-999 ?-999 ?-999 ? O1 EDO B 203 mGLU~A 18 -4.66 81.48 17.18 -5.07 80.69 17.62 -2.89 83.05 17.85 -2.46 84.12 17.43 -4.38 82.76 17.87 -4.88 82.76 19.32 2 0 23.25-999 ?-999 ?-999 ? O1 EDO B 203 mASP~A 19 -2.10 82.08 18.31 -2.59 81.27 18.63 -0.03 82.37 16.96 0.97 83.08 16.78 -0.65 82.22 18.35 -0.02 81.03 19.06 2 0 20.32-999 ?-999 ?-999 ? O1 EDO B 203 mALA~A 20 -0.62 81.69 15.97 -1.34 81.07 16.28 -0.44 83.31 14.15 0.40 83.89 13.47 -0.23 81.85 14.57 -1.00 80.90 13.69 2 0 22.84-999 ?-999 ?-999 ? O1 EDO B 203 mGLY~A 21 -1.59 83.89 14.55 -2.22 83.28 15.03 -0.85 86.20 14.97 -0.29 87.13 14.35 -1.85 85.30 14.27-999.99-999.99-999.99 1 0 25.14-999 ?-999 ?-999 ? O1 EDO B 203 mTHR~A 22 -0.58 85.92 16.24 -1.08 85.14 16.60 1.80 86.65 16.40 2.45 87.68 16.20 0.38 86.72 17.00 0.43 86.30 18.47 2 0 22.64-999 ?-999 ?-999 ? O1 EDO B 203 mLEU~A 23 2.22 85.42 16.06 1.57 84.69 16.24 3.66 85.96 14.12 4.69 86.60 13.85 3.53 85.21 15.46 3.75 83.69 15.27 3 0 21.68-999 ?-999 ?-999 ? O1 EDO B 203 mSER~A 24 2.61 85.88 13.30 1.83 85.38 13.67 3.00 87.97 12.02 3.72 88.47 11.15 2.65 86.49 11.96 1.33 86.28 11.21 2 0 25.43-999 ?-999 ?-999 ? O1 EDO B 203 mALA~A 25 2.51 88.67 13.05 2.03 88.11 13.72 4.11 90.57 13.38 4.45 91.75 13.20 2.67 90.13 13.16 1.77 90.70 14.27 2 0 26.32-999 ?-999 ?-999 ? O1 EDO B 203 mPHE.A 26 4.98 89.64 13.78 4.58 88.74 13.94 7.16 89.92 12.63 8.34 90.32 12.60 6.41 89.94 13.97 7.08 88.89 14.85 3 0 24.55-999 ?-999 ?-999 ? O1 EDO B 203 mPHE.A 27 6.54 89.41 11.56 5.58 89.15 11.71 6.75 90.24 9.25 5.55 90.49 9.18 7.22 89.24 10.27 7.02 87.82 9.72 3 0 26.98-999 ?-999 ?-999 ? O1 EDO B 203 mGLN^A 28 7.68 90.80 8.49 8.61 90.58 8.76 7.42 90.93 6.01 8.37 90.17 5.77 7.33 91.67 7.36 8.23 92.90 7.36 2 0 29.68-999 ?-999 ?-999 ? C2 EDO B 202 mLEU^A 29 6.44 91.14 5.14 5.68 91.70 5.48 7.43 91.45 2.91 7.30 92.69 2.86 6.53 90.58 3.78 5.15 90.36 3.14 3 0 31.67-999 ?-999 ?-999 ? C2 EDO B 202 mLYS^A 30 8.36 90.81 2.23 8.33 89.81 2.35 9.28 90.81 0.03 9.48 89.60 -0.03 9.32 91.49 1.39 10.69 91.22 1.99 2 0 31.90-999 ?-999 ?-999 ? C2 EDO B 202 mLYS^A 31 9.03 91.56 -1.06 8.76 92.51 -0.88 10.41 91.62 -3.04 10.59 92.84 -2.98 9.17 91.00 -2.40 7.96 91.29 -3.27 2 0 33.90-999 ?-999 ?-999 ? O1 GOL B 201 mVAL^A 32 11.24 90.79 -3.66 10.96 89.83 -3.67 12.66 90.61 -5.63 12.44 89.38 -5.78 12.46 91.29 -4.26 13.72 91.13 -3.34 3 0 32.98-999 ?-999 ?-999 ? O1 GOL B 201 mARG.A 33 13.06 91.42 -6.61 13.06 92.39 -6.38 14.75 90.09 -7.80 15.52 90.26 -6.85 13.45 90.89 -7.91 13.60 92.00 -8.96 2 0 -34.73-999 ?-999 ?-999 ? O1 GOL B 201s mLYS.A 34 14.99 89.23 -8.78 14.25 89.13 -9.44 17.43 89.45 -8.89 17.33 90.58 -9.37 16.25 88.50 -8.86 16.27 87.56 -10.07 2 0 33.01-999 ?-999 ?-999 ? C1 GOL B 201 mLYS.A 35 18.56 88.97 -8.38 18.46 88.03 -8.04 19.82 91.00 -7.47 20.55 91.94 -7.78 19.82 89.71 -8.30 20.38 89.94 -9.71 2 0 31.39-999 ?-999 ?-999 ? O1 GOL B 201 mGLU.A 36 18.98 91.04 -6.44 18.41 90.22 -6.36 19.69 91.78 -4.28 19.52 90.68 -3.74 18.90 92.16 -5.50 17.45 92.44 -5.08 2 0 30.71-999 ?-999 ?-999 ? O1 GOL B 201 mTHR^A 37 20.58 92.68 -3.85 20.63 93.51 -4.40 20.64 92.86 -1.39 20.18 94.01 -1.30 21.39 92.41 -2.65 22.79 93.09 -2.78 2 0 27.66-999 ?-999 ?-999 ? O1 GOL B 201 mLEU^A 38 20.51 91.96 -0.43 20.96 91.09 -0.66 20.74 92.47 1.99 20.35 93.09 2.98 19.79 92.20 0.83 18.90 90.99 1.18 3 0 25.93-999 ?-999 ?-999 ? O1 GOL B 201 mLEU^A 39 21.97 91.98 1.88 22.13 91.45 1.04 24.31 92.24 2.19 24.49 91.51 1.20 22.97 92.21 2.91 22.99 91.06 3.95 3 0 23.12-999 ?-999 ?-999 ? O1 GOL B 201 mLYS.A 40 25.22 93.09 2.66 24.86 93.67 3.40 27.61 92.90 3.25 27.40 93.25 4.39 26.61 93.18 2.16 26.94 94.55 1.52 2 0 22.94-999 ?-999 ?-999 ? O1 GOL B 201 mTHR.A 41 28.72 92.27 2.91 28.73 91.88 1.99 30.06 93.57 4.47 30.13 94.58 3.73 29.82 92.19 3.86 31.11 91.67 3.18 2 0 20.39-999 ?-999 ?-999 ? O1 GOL B 201 mGLY.A 42 30.18 93.61 5.79 30.03 92.73 6.25 29.28 95.63 6.97 29.41 96.51 7.82 30.50 94.87 6.49-999.99-999.99-999.99 1 0 20.89-999 ?-999 ?-999 ? O1 GOL B 201 mGLU.A 43 28.10 95.32 6.41 28.15 94.67 5.66 26.35 95.20 8.12 26.46 93.99 8.23 26.85 95.91 6.89 25.76 95.85 5.82 2 0 22.33-999 ?-999 ?-999 ? O1 GOL B 201 mILE.A 44 25.78 95.97 9.06 25.69 96.94 8.86 24.15 94.37 9.99 23.14 94.79 9.41 25.32 95.32 10.30 24.96 96.34 11.41 3 0 20.96-999 ?-999 ?-999 ? O1 GOL B 201 mCYH.A 45 24.29 93.10 10.35 25.13 92.88 10.85 22.16 92.11 11.09 22.44 91.83 12.28 23.27 92.12 10.03 23.89 90.72 9.89 2 0 19.31-999 ?-999 ?-999 ? O1 GOL B 201 mARG.A 46 20.94 92.45 10.67 20.90 92.64 9.69 18.73 91.47 11.26 17.84 91.26 12.08 19.78 92.51 11.58 19.05 93.87 11.46 2 0 21.02-999 ?-999 ?-999 ? C1 EDO B 202 mILE^A 47 18.74 90.90 10.04 19.60 90.95 9.54 17.73 88.76 9.24 18.73 88.39 8.68 17.53 90.26 9.55 16.97 90.97 8.29 3 0 21.71-999 ?-999 ?-999 ? C2 EDO B 202 mASN^A 48 16.73 87.98 9.62 16.03 88.47 10.15 15.47 86.45 8.33 14.39 87.03 8.60 16.64 86.57 9.31 16.35 85.78 10.59 2 0 20.12-999 ?-999 ?-999 ? C2 EDO B 202 mTYR^A 49 15.69 85.72 7.22 16.59 85.30 7.19 14.11 84.13 6.04 14.86 83.13 6.06 14.69 85.55 6.16 15.27 85.88 4.78 3 0 22.90-999 ?-999 ?-999 ? C2 EDO B 202 mPHE^A 50 12.79 84.06 5.86 12.31 84.93 5.97 11.73 82.98 4.07 11.10 84.02 3.71 12.12 82.81 5.53 10.84 82.64 6.38 3 0 23.94-999 ?-999 ?-999 ? C2 EDO B 202 mVAL^A 51 12.10 82.00 3.23 12.59 81.25 3.67 10.38 81.45 1.54 10.18 80.25 1.64 11.78 82.06 1.80 12.86 81.33 0.99 3 0 26.54-999 ?-999 ?-999 ? C1 GOL B 201 mVAL^A 52 9.42 82.30 1.21 9.70 83.26 1.25 8.13 81.25 -0.59 7.63 80.13 -0.88 8.08 81.82 0.83 7.04 82.94 0.95 3 0 29.73-999 ?-999 ?-999 ? C2 EDO B 202 mLYS^A 53 8.76 82.03 -1.48 9.09 82.90 -1.11 10.27 82.14 -3.34 10.64 83.25 -3.01 8.92 81.63 -2.88 7.80 82.26 -3.75 2 0 31.46-999 ?-999 ?-999 ? C1 GOL B 201 mGLY.A 54 11.00 81.32 -4.10 10.63 80.40 -4.18 13.46 81.10 -4.17 13.45 79.91 -3.75 12.22 81.77 -4.74-999.99-999.99-999.99 1 0 30.34-999 ?-999 ?-999 ? C1 GOL B 201 mCYH^A 55 14.53 81.88 -4.15 14.39 82.83 -4.42 16.72 82.49 -3.44 16.82 83.48 -4.17 15.80 81.35 -3.76 16.35 80.45 -4.88 2 0 27.21-999 ?-999 ?-999 ? C1 GOL B 201 mLEU^A 56 17.37 82.37 -2.28 17.09 81.57 -1.74 19.75 82.64 -1.91 19.81 81.43 -1.70 18.40 83.35 -1.87 18.12 83.79 -0.43 3 0 24.70-999 ?-999 ?-999 ? C1 GOL B 201 mARG^A 57 20.85 83.37 -2.09 20.69 84.32 -2.36 22.99 83.58 -0.90 22.83 84.80 -0.79 22.17 82.77 -1.88 22.94 82.61 -3.18 2 0 22.54-999 ?-999 ?-999 ? C1 GOL B 201 mLEU^A 58 23.86 82.88 -0.18 23.79 81.89 -0.32 26.19 83.40 0.04 26.59 82.31 -0.41 24.82 83.49 0.71 24.87 82.68 2.01 3 0 19.47-999 ?-999 ?-999 ? C1 GOL B 201 mPHE^A 59 26.91 84.51 -0.04 26.48 85.34 0.33 29.20 85.44 -0.02 28.81 86.34 0.72 28.25 84.44 -0.63 28.17 84.59 -2.17 3 0 19.88-999 ?-999 ?-999 ? O1 GOL B 201 mPHE^A 60 30.50 85.29 -0.31 30.75 84.45 -0.80 32.32 86.61 -1.10 32.36 85.83 -2.03 31.43 86.32 0.10 32.29 85.90 1.32 3 0 19.49-999 ?-999 ?-999 ? O1 GOL B 201 mILE^A 61 33.04 87.70 -1.05 32.95 88.24 -0.21 35.32 87.86 -1.68 35.71 88.44 -0.65 33.90 88.05 -2.16 33.67 89.51 -2.62 3 0 22.26-999 ?-999 ?-999 ? O1 GOL B 201 mASP.A 62 36.08 87.02 -2.37 35.64 86.61 -3.17 38.42 87.87 -2.32 37.99 88.87 -2.89 37.47 86.73 -1.94 37.93 85.33 -2.39 2 0 21.87-999 ?-999 ?-999 ? O1 GOL B 201 mGLU.A 63 39.70 87.77 -1.97 39.97 86.88 -1.58 40.99 89.14 -3.63 41.68 90.10 -3.94 40.60 88.92 -2.15 41.82 88.84 -1.21 2 0 23.87-999 ?-999 ?-999 ? O1 GOL B 201 mLYS.A 64 40.49 88.28 -4.52 40.00 87.52 -4.09 39.35 88.98 -6.60 39.28 89.18 -7.82 40.65 88.44 -5.97 41.02 87.10 -6.61 2 0 26.88-999 ?-999 ?-999 ? O1 GOL B 201 mGLY.A 65 38.35 89.20 -5.75 38.54 88.92 -4.81 36.10 88.79 -6.70 35.06 89.17 -7.27 37.08 89.80 -6.16-999.99-999.99-999.99 1 0 26.88-999 ?-999 ?-999 ? O1 GOL B 201 mILE.A 66 36.43 87.50 -6.51 37.30 87.35 -6.03 34.52 86.10 -5.93 34.85 85.91 -4.75 35.59 86.41 -6.98 36.42 85.11 -7.31 3 0 26.03-999 ?-999 ?-999 ? O1 GOL B 201 mGLU^A 67 33.26 86.05 -6.35 33.15 86.28 -7.31 32.19 84.21 -5.22 32.29 83.43 -6.18 32.15 85.70 -5.46 30.81 86.08 -6.09 2 0 24.25-999 ?-999 ?-999 ? O1 GOL B 201 mGLN^A 68 32.17 83.80 -3.95 32.12 84.54 -3.28 30.91 82.11 -2.89 30.65 82.67 -1.80 32.22 82.38 -3.59 33.42 82.11 -2.67 2 0 21.35-999 ?-999 ?-999 ? C1 GOL B 201 mTHR^A 69 30.06 81.30 -3.51 30.41 80.89 -4.36 28.84 79.92 -1.96 29.43 78.89 -2.27 28.72 81.07 -2.94 27.65 80.83 -4.06 2 0 20.77-999 ?-999 ?-999 ? C1 GOL B 201 mTHR^A 70 28.32 80.11 -0.75 27.82 80.97 -0.64 27.22 78.39 0.64 27.27 77.27 1.16 28.50 79.11 0.29 29.18 79.71 1.55 2 0 17.31-999 ?-999 ?-999 ? C1 GOL B 201 mGLN^A 71 26.08 78.96 0.30 26.18 79.81 -0.22 23.71 78.93 -0.17 23.80 80.06 -0.63 24.81 78.36 0.69 24.53 78.77 2.15 2 0 18.11-999 ?-999 ?-999 ? C1 GOL B 201 mPHE^A 72 22.68 78.12 -0.41 22.84 77.16 -0.17 20.32 78.33 0.06 20.44 77.44 0.95 21.42 78.60 -0.97 21.08 77.88 -2.28 3 0 21.24-999 ?-999 ?-999 ? C1 GOL B 201 mALA^A 73 19.24 79.08 -0.04 19.35 79.85 -0.67 16.85 78.79 -0.25 16.61 79.82 -0.91 18.02 78.77 0.72 17.81 79.80 1.82 2 0 22.01-999 ?-999 ?-999 ? C1 GOL B 201 mILE^A 74 16.17 77.66 -0.41 16.51 76.87 0.08 13.69 77.82 -0.47 13.74 78.06 0.74 14.98 77.68 -1.27 14.95 76.45 -2.24 3 0 25.41-999 ?-999 ?-999 ? C1 GOL B 201 mGLU.A 75 12.54 77.70 -1.14 12.65 77.50 -2.12 11.16 77.00 0.83 11.63 75.87 0.85 11.24 77.85 -0.44 10.01 77.56 -1.32 2 0 27.66-999 ?-999 ?-999 ? C1 GOL B 201 mASN.A 76 10.58 77.59 1.87 10.31 78.54 1.70 11.64 76.75 3.97 11.66 75.99 4.92 10.36 76.92 3.15 9.62 75.58 2.97 2 0 25.93-999 ?-999 ?-999 ? C2 EDO B 202 mTRP.A 77 12.68 77.50 3.63 12.59 78.03 2.78 14.31 78.92 4.80 13.67 79.89 4.36 13.83 77.50 4.49 14.91 76.57 3.98 3 0 22.66-999 ?-999 ?-999 ? C1 GOL B 201 mTRP^A 78 15.33 79.00 5.64 15.79 78.12 5.77 17.14 80.66 5.86 17.96 79.76 5.55 15.73 80.27 6.31 15.73 80.04 7.84 3 0 20.51-999 ?-999 ?-999 ? C1 GOL B 201 mLEU^A 79 17.46 81.95 5.90 16.71 82.59 6.08 19.11 83.67 6.39 18.28 84.59 6.41 18.82 82.36 5.69 19.12 82.47 4.20 3 0 18.99-999 ?-999 ?-999 ? C1 GOL B 201 mSER.A 80 20.31 83.74 6.95 20.79 82.87 7.03 22.39 84.71 7.41 22.84 83.58 7.11 20.88 84.97 7.40 20.41 85.25 8.84 2 0 17.52-999 ?-999 ?-999 ? O1 GOL B 201 mASP~A 81 23.13 85.72 7.80 22.66 86.60 7.76 24.44 85.30 9.74 24.40 86.28 10.49 24.54 85.52 8.23 25.33 86.82 7.91 2 0 14.98-999 ?-999 ?-999 ? O1 GOL B 201 mTYR~A 82 24.40 84.04 10.18 24.68 83.34 9.53 24.93 84.26 12.62 24.52 84.63 13.70 23.95 83.78 11.53 23.52 82.30 11.74 3 0 12.65-999 ?-999 ?-999 ? O1 GOL B 201 mMETA 83 26.22 84.24 12.35 26.49 83.87 11.46 26.86 86.28 13.52 26.76 86.79 14.65 27.12 84.75 13.36 28.55 84.52 12.92 2 0 10.43-999 ?-999 ?-999 ? O1 GOL B 201 mALA~A 84 26.77 86.99 12.39 26.86 86.45 11.56 25.20 88.85 13.06 25.09 89.81 13.84 26.56 88.47 12.46 26.73 89.09 11.08 2 0 13.93-999 ?-999 ?-999 ? O1 GOL B 201 mPHE~A 85 24.19 88.06 12.71 24.45 87.39 12.01 22.83 87.97 14.77 22.33 88.83 15.50 22.84 88.15 13.24 21.98 87.04 12.55 3 0 15.57-999 ?-999 ?-999 ? O1 GOL B 201 mGLN~A 86 23.42 86.90 15.27 23.88 86.33 14.58 24.24 87.57 17.51 23.95 87.83 18.69 23.39 86.61 16.71 23.80 85.17 16.99 2 0 12.45-999 ?-999 ?-999 ? C1 EDO B 202 mLYS~A 87 25.32 88.06 16.90 25.43 87.76 15.96 25.91 90.43 17.36 26.51 91.31 18.01 26.25 88.98 17.62 27.71 88.69 17.28 2 0 13.30-999 ?-999 ?-999 ? C1 EDO B 202 mGLN~A 88 24.96 90.67 16.44 24.62 89.84 16.00 25.63 92.88 15.63 25.90 93.99 16.13 24.47 92.03 16.11 23.75 92.69 17.29 2 0 16.93-999 ?-999 ?-999 ? C1 EDO B 202 mGLN.A 89 26.33 92.37 14.65 25.97 91.53 14.25 27.68 93.03 12.69 26.83 92.41 12.01 27.54 93.04 14.22 28.75 92.41 14.93 2 0 17.12-999 ?-999 ?-999 ? O1 GOL B 201 mPRO.A 90 28.71 93.72 12.15 29.28 94.23 12.79 29.00 92.25 10.09 29.63 91.35 10.67 28.93 93.68 10.70 30.26 94.45 10.53 3 0 18.27-999 ?-999 ?-999 ? O1 GOL B 201 mALA.A 91 28.33 92.10 8.96 27.86 92.94 8.68 29.61 90.37 7.59 30.44 91.18 7.13 28.27 90.83 8.20 27.21 90.94 7.11 2 0 17.09-999 ?-999 ?-999 ? O1 GOL B 201 mASP.A 92 29.83 89.06 7.61 29.22 88.54 8.21 30.36 88.24 5.39 31.14 88.28 4.45 30.87 88.46 6.82 31.31 87.15 7.39 2 0 15.54-999 ?-999 ?-999 ? O1 GOL B 201 mPHE.A 93 29.06 88.01 5.25 28.52 88.16 6.07 27.56 88.56 3.29 26.94 89.41 3.94 28.51 87.56 3.96 27.71 86.26 4.14 3 0 17.48-999 ?-999 ?-999 ? O1 GOL B 201 mTYR^A 94 27.44 88.39 1.97 28.15 87.82 1.56 25.17 88.04 1.15 25.38 86.82 1.14 26.33 89.00 1.21 26.77 89.23 -0.25 3 0 21.04-999 ?-999 ?-999 ? O1 GOL B 201 mILE^A 95 23.96 88.57 1.11 23.92 89.55 1.30 22.17 88.42 -0.44 22.01 89.66 -0.46 22.79 87.76 0.79 21.75 87.75 1.92 3 0 22.11-999 ?-999 ?-999 ? O1 GOL B 201 mGLN^A 96 21.85 87.62 -1.45 22.03 86.65 -1.29 20.24 87.17 -3.26 20.44 85.95 -3.16 21.29 88.16 -2.69 22.43 88.42 -3.66 2 0 25.64-999 ?-999 ?-999 ? O1 GOL B 201 mSER^A 97 19.16 87.71 -3.81 19.11 88.71 -3.75 18.67 86.28 -5.74 19.36 86.96 -6.53 18.13 86.87 -4.45 16.86 87.66 -4.74 2 0 28.04-999 ?-999 ?-999 ? C1 GOL B 201 mVAL.A 98 18.39 85.00 -5.96 17.86 84.58 -5.23 17.69 84.36 -8.18 17.89 84.47 -9.40 18.84 84.32 -7.17 19.28 82.86 -6.86 3 0 28.96-999 ?-999 ?-999 ? C1 GOL B 201 mGLU.A 99 16.48 84.24 -7.64 16.51 84.09 -6.66 14.42 85.48 -7.84 14.80 86.09 -6.83 15.24 84.34 -8.42 14.44 83.02 -8.28 2 0 31.84-999 ?-999 ?-999 ? C1 GOL B 201 mASN.A 100 13.31 85.79 -8.49 13.22 85.38 -9.40 11.88 85.97 -6.59 11.63 84.76 -6.61 12.33 86.68 -7.86 11.13 86.91 -8.76 2 0 33.79-999 ?-999 ?-999 ? C1 GOL B 201 mCYH^A 101 11.80 86.70 -5.48 11.98 87.68 -5.61 10.29 86.75 -3.50 10.15 87.97 -3.57 11.46 86.07 -4.18 12.64 86.23 -3.21 2 0 31.60-999 ?-999 ?-999 ? C1 GOL B 201 mGLU^A 102 9.50 85.95 -2.77 9.56 84.98 -3.00 9.25 86.02 -0.41 9.51 84.82 -0.21 8.63 86.47 -1.74 7.23 85.90 -1.88 2 0 32.24-999 ?-999 ?-999 ? C1 GOL B 201 mLEU^A 103 9.59 86.97 0.45 9.37 87.90 0.14 9.44 87.12 2.92 8.61 88.05 2.82 10.25 86.65 1.73 11.62 87.35 1.81 3 0 29.07-999 ?-999 ?-999 ? C2 EDO B 202 mLEU^A 104 9.70 86.51 4.07 10.26 85.69 3.97 10.42 87.27 6.20 11.29 86.40 6.31 9.20 87.01 5.35 8.28 85.98 6.00 3 0 27.41-999 ?-999 ?-999 ? C2 EDO B 202 mSER^A 105 10.54 88.47 6.73 9.75 89.06 6.60 11.41 89.17 8.90 10.29 89.60 9.26 11.74 88.86 7.45 12.41 90.13 6.80 2 0 25.31-999 ?-999 ?-999 ? C2 EDO B 202 mILE^A 106 12.39 88.94 9.74 13.18 88.50 9.32 13.65 89.78 11.65 14.67 89.26 11.17 12.28 89.31 11.17 11.75 88.12 12.03 3 0 23.16-999 ?-999 ?-999 ? C2 EDO B 202 mTHR^A 107 13.70 90.77 12.54 12.80 91.15 12.78 15.43 90.36 14.25 14.62 89.60 14.82 15.00 91.23 13.07 14.96 92.71 13.52 2 0 21.66-999 ?-999 ?-999 ? C1 EDO B 202 mTYR~A 108 16.72 90.43 14.60 17.29 91.00 14.02 16.42 90.04 17.05 16.00 89.14 17.81 17.20 89.68 15.76 18.72 89.88 15.97 3 0 18.09-999 ?-999 ?-999 ? C1 EDO B 202 mTHR~A 109 16.24 91.35 17.27 16.65 91.94 16.57 14.08 91.26 18.48 13.62 90.76 19.51 15.50 91.84 18.45 15.49 93.40 18.44 2 0 19.73-999 ?-999 ?-999 ? C1 EDO B 202 mGLU~A 110 13.41 91.32 17.33 13.93 91.73 16.58 11.94 89.34 17.41 11.03 88.86 18.08 12.04 90.83 17.20 11.47 91.18 15.82 2 0 21.72-999 ?-999 ?-999 ? C1 EDO B 202 mGLN~A 111 12.88 88.61 16.81 13.54 89.13 16.27 13.12 86.72 18.45 12.48 85.78 18.88 12.92 87.16 16.96 13.98 86.54 16.05 2 0 19.01-999 ?-999 ?-999 ? C1 EDO B 202 mGLU~A 112 13.98 87.42 19.20 14.47 88.13 18.70 12.89 87.42 21.43 12.46 86.58 22.25 14.17 87.12 20.64 15.40 87.85 21.21 2 0 17.03-999 ?-999 ?-999 ? C1 EDO B 202 mASN~A 113 12.23 88.54 21.14 12.72 89.13 20.49 9.90 87.75 21.38 9.12 87.30 22.25 10.91 88.86 21.72 10.39 90.20 21.20 2 0 17.64-999 ?-999 ?-999 ? O1 EDO B 203 mLEU~A 114 9.92 87.31 20.13 10.62 87.74 19.56 9.20 84.96 20.41 8.20 84.31 20.77 9.01 86.28 19.65 9.17 86.04 18.13 3 0 17.45-999 ?-999 ?-999 ? O1 EDO B 203 mPHE~A 115 10.47 84.57 20.64 11.17 85.15 20.23 10.19 83.43 22.86 9.77 82.41 23.40 10.75 83.35 21.45 12.25 83.08 21.55 3 0 14.07-999 ?-999 ?-999 ? O1 EDO B 203 mGLU~A 116 10.17 84.64 23.42 10.58 85.34 22.84 8.08 84.81 24.74 7.46 84.29 25.66 9.60 84.94 24.75 9.97 86.38 25.16 2 0 12.84-999 ?-999 ?-999 ? O1 EDO B 203 mARG~A 117 7.48 85.36 23.69 8.12 85.69 22.99 5.43 84.12 23.18 4.34 83.76 23.65 6.04 85.47 23.56 5.71 86.55 22.50 2 0 14.96-999 ?-999 ?-999 ? O1 EDO B 203 mILE~A 118 6.14 83.36 22.33 7.04 83.72 22.09 6.70 81.05 21.99 7.41 80.74 21.03 5.61 82.11 21.83 5.11 82.19 20.34 3 0 14.38-999 ?-999 ?-999 ? O1 EDO B 203 mPRO.A 119 6.87 80.54 23.22 6.19 80.86 23.87 7.89 78.29 22.81 8.90 77.60 22.72 7.95 79.61 23.56 7.74 79.36 25.07 3 0 10.97-999 ?-999 ?-999 ? O1 EDO B 203 mALA~A 120 6.70 77.92 22.31 5.95 78.54 22.52 7.50 76.76 20.28 7.91 75.73 19.72 6.57 76.69 21.52 5.13 76.51 21.08 2 0 12.57-999 ?-999 ?-999 ? O1 EDO B 203 mLEU~A 121 7.85 77.99 19.87 7.48 78.73 20.42 10.15 77.79 18.96 10.90 77.56 18.01 8.70 78.19 18.70 8.65 79.65 18.32 3 0 14.82-999 ?-999 ?-999 ? O1 EDO B 203 mGLU~A 122 10.54 77.65 20.23 9.85 77.85 20.92 12.13 75.86 19.86 13.20 75.61 19.32 11.90 77.21 20.50 12.14 77.09 22.01 2 0 12.56-999 ?-999 ?-999 ? O1 EDO B 203 mARG~A 123 11.11 75.00 19.92 10.28 75.32 20.37 11.38 73.75 17.80 12.17 73.03 17.17 11.28 73.67 19.33 10.14 72.74 19.77 2 0 13.68-999 ?-999 ?-999 ? O1 EDO B 203 mTYR~A 124 10.55 74.59 17.20 9.89 75.06 17.80 12.08 75.17 15.32 12.65 74.57 14.41 10.64 74.76 15.76 9.62 75.80 15.30 3 0 17.19-999 ?-999 ?-999 ? O1 EDO B 203 mPHE~A 125 12.63 76.21 15.94 12.06 76.64 16.64 15.10 75.69 16.01 16.14 75.58 15.35 13.99 76.65 15.58 14.23 78.08 16.02 3 0 15.18-999 ?-999 ?-999 ? C2 EDO B 202 mARG~A 126 14.87 74.94 17.08 14.03 75.17 17.58 15.93 72.94 16.25 17.04 72.58 15.80 15.82 73.86 17.45 15.31 73.04 18.67 2 0 12.89-999 ?-999 ?-999 ? C2 EDO B 202 mLEU~A 127 14.78 72.59 15.68 13.96 73.01 16.06 15.38 72.28 13.32 16.16 71.65 12.60 14.81 71.64 14.59 13.42 71.04 14.34 3 0 15.58-999 ?-999 ?-999 ? O2 EDO B 202 mVAL~A 128 14.98 73.53 13.06 14.29 73.89 13.69 17.06 74.37 12.01 17.80 74.05 11.03 15.53 74.27 11.92 14.87 75.67 11.77 3 0 16.12-999 ?-999 ?-999 ? C2 EDO B 202 mTYR~A 129 17.57 74.78 13.16 16.91 74.96 13.90 19.79 73.59 13.30 20.93 73.50 12.80 19.03 74.93 13.26 19.41 75.83 14.41 3 0 12.65-999 ?-999 ?-999 ? C2 EDO B 202 mGLN~A 130 19.19 72.57 13.90 18.32 72.81 14.34 19.97 70.74 12.50 21.05 70.24 12.13 19.78 71.25 13.92 18.86 70.31 14.69 2 0 12.55-999 ?-999 ?-999 ? O2 EDO B 202 mLYS~A 131 18.91 70.88 11.71 18.11 71.32 12.12 19.93 71.26 9.51 20.63 70.76 8.62 18.94 70.40 10.33 17.52 70.44 9.75 2 0 15.92-999 ?-999 ?-999 ? O2 GOL B 201 mSER~A 132 19.94 72.57 9.77 19.28 72.86 10.46 22.34 73.12 9.37 23.19 73.11 8.46 20.87 73.48 9.05 20.58 74.96 9.41 2 0 14.40-999 ?-999 ?-999 ? C1 GOL B 201 mPHE~A 133 22.62 72.81 10.63 21.84 72.87 11.26 24.34 71.09 10.43 25.48 70.97 9.92 23.94 72.42 11.06 23.95 72.31 12.57 3 0 11.01-999 ?-999 ?-999 ? O2 GOL B 201 mALA~A 134 23.42 70.12 10.42 22.55 70.37 10.84 24.08 68.99 8.38 25.07 68.42 7.90 23.71 68.80 9.83 22.51 67.86 9.94 2 0 12.79-999 ?-999 ?-999 ? O2 GOL B 201 mALA~A 135 23.25 69.76 7.67 22.47 70.12 8.18 24.86 70.75 6.04 25.60 70.43 5.07 23.50 70.05 6.25 22.31 70.88 5.63 2 0 14.98-999 ?-999 ?-999 ? O2 GOL B 201 mALA~A 136 25.20 71.69 6.94 24.53 71.85 7.66 27.67 71.42 7.04 28.68 71.51 6.33 26.47 72.39 6.84 26.52 73.58 7.82 2 0 12.25-999 ?-999 ?-999 ? C1 GOL B 201 mGLN~A 137 27.58 70.50 7.99 26.75 70.56 8.55 28.84 68.71 6.88 29.96 68.55 6.38 28.62 69.49 8.16 28.27 68.50 9.27 2 0 10.96-999 ?-999 ?-999 ? O2 GOL B 201 mLEU~A 138 27.74 68.25 6.31 26.90 68.48 6.80 28.35 68.24 3.89 29.17 67.71 3.12 27.80 67.46 5.07 26.42 66.91 4.74 3 0 14.66-999 ?-999 ?-999 ? O2 GOL B 201 mARG~A 139 27.92 69.50 3.73 27.21 69.77 4.38 29.95 70.45 2.78 30.64 70.48 1.76 28.44 70.38 2.68 27.87 71.80 2.79 2 0 15.69-999 ?-999 ?-999 ? C1 GOL B 201 mSER~A 140 30.47 70.49 4.00 29.81 70.41 4.75 32.63 69.44 3.55 33.65 69.57 2.87 31.91 70.64 4.17 32.27 70.78 5.65 2 0 13.61-999 ?-999 ?-999 ? O2 GOL B 201 mLYS~A 141 32.09 68.26 3.78 31.29 68.27 4.37 32.45 67.07 1.66 33.42 66.85 0.90 32.65 67.07 3.19 32.02 65.84 3.82 2 0 15.63-999 ?-999 ?-999 ? O2 GOL B 201 mPHE~A 142 31.22 67.31 1.20 30.55 67.55 1.90 31.63 68.26 -1.08 32.00 67.97 -2.22 30.92 67.21 -0.23 29.41 67.25 -0.49 3 0 18.86-999 ?-999 ?-999 ? O2 GOL B 201 mGLN~A 143 31.83 69.46 -0.54 31.43 69.56 0.37 34.02 70.11 -1.48 34.56 70.39 -2.53 32.57 70.52 -1.24 32.59 71.86 -0.48 2 0 18.73-999 ?-999 ?-999 ? C1 GOL B 201 mHIS~A 144 34.64 69.47 -0.49 34.08 69.34 0.33 36.19 67.98 -1.76 37.16 68.03 -2.51 36.03 69.00 -0.63 36.57 68.43 0.69 3 0 18.89-999 ?-999 ?-999 ? O2 GOL B 201 mMETA 145 35.21 67.09 -1.88 34.39 67.31 -1.35 34.66 66.00 -4.08 35.22 65.56 -5.09 35.33 65.90 -2.71 34.79 64.69 -1.94 2 0 21.68-999 ?-999 ?-999 ? O2 GOL B 201 mTYR~A 146 33.46 66.58 -4.12 33.22 67.08 -3.29 32.12 67.83 -5.83 32.90 68.79 -5.89 32.58 66.48 -5.30 31.38 65.57 -4.97 3 0 23.80-999 ?-999 ?-999 ? O2 GOL B 201 mSER.B -2 25.40 65.72 42.60 25.08 66.02 43.49 27.26 64.58 41.31 27.58 63.84 42.26 25.88 65.27 41.26 25.91 66.48 40.33 2 0 17.22-999 ?-999 ?-999 ? O2 EDO B 203 mASN~B -1 28.02 64.81 40.23 27.48 65.18 39.48 30.00 65.69 39.18 29.20 66.42 38.60 29.47 64.57 40.09 29.75 63.20 39.47 2 0 19.76-999 ?-999 ?-999 ? O2 EDO B 202 mALA~B 0 31.32 65.83 39.04 31.85 65.13 39.51 31.37 67.05 36.80 31.08 68.15 36.31 31.90 66.93 38.24 33.44 66.83 38.23 2 0 17.48-999 ?-999 ?-999 ? O2 EDO B 202 mMETB 1 31.28 65.91 36.12 31.51 65.09 36.64 29.42 66.33 34.55 29.13 67.22 33.73 30.88 65.91 34.71 31.13 64.57 34.02 2 0 14.87-999 ?-999 ?-999 ? O2 EDO B 202 mHIS~B 2 28.51 65.71 35.32 28.86 64.98 35.90 26.92 67.57 35.70 26.16 68.31 35.10 27.10 66.13 35.26 26.18 65.22 36.05 3 0 14.76-999 ?-999 ?-999 ? O2 EDO B 202 mTHR~B 3 27.66 67.97 36.71 28.20 67.25 37.15 28.00 70.32 35.97 27.37 71.38 35.81 27.66 69.38 37.12 28.64 69.55 38.32 2 0 14.84-999 ?-999 ?-999 ? O2 EDO B 202 mALA~B 4 29.00 69.94 35.18 29.41 69.07 35.43 28.29 71.00 33.07 28.07 72.12 32.58 29.43 70.79 34.05 30.64 70.17 33.31 2 0 11.65-999 ?-999 ?-999 ? O2 EDO B 202 mLEU~B 5 27.57 69.92 32.79 27.84 69.09 33.28 25.31 70.82 32.38 24.73 71.65 31.67 26.46 69.98 31.83 26.02 68.55 31.46 3 0 9.82-999 ?-999 ?-999 ? O2 EDO B 202 mILE~B 6 24.95 70.58 33.65 25.50 69.89 34.12 24.13 72.81 34.32 23.24 73.61 34.00 23.85 71.29 34.29 23.54 70.70 35.73 3 0 10.84-999 ?-999 ?-999 ? O2 EDO B 203 mASN~B 7 25.36 73.18 34.71 25.94 72.41 34.98 25.66 75.23 33.35 25.18 76.38 33.24 25.81 74.58 34.74 27.31 74.64 35.15 2 0 11.47-999 ?-999 ?-999 ? O1 EDO B 202 mHIS~B 8 26.09 74.51 32.31 26.42 73.60 32.54 24.59 75.27 30.58 24.24 76.37 30.08 26.05 75.05 30.97 26.73 74.15 29.95 3 0 -7.78-999 ?-999 ?-999 ? O2 EDO B 202s mILE~B 9 23.74 74.28 30.85 24.15 73.47 31.29 21.69 75.61 31.25 20.93 76.39 30.67 22.32 74.40 30.52 21.56 73.12 30.80 3 0 8.80-999 ?-999 ?-999 ? O2 EDO B 202 mARG~B 10 22.06 75.78 32.50 22.76 75.13 32.80 21.93 78.25 32.90 21.33 79.25 33.33 21.49 76.85 33.34 21.79 76.60 34.82 2 0 8.58-999 ?-999 ?-999 ? O2 EDO B 203 mLYS~B 11 22.97 78.34 32.05 23.46 77.49 31.90 22.17 80.14 30.57 22.01 81.37 30.40 23.32 79.63 31.43 24.59 79.53 30.54 2 0 9.25-999 ?-999 ?-999 ? C1 EDO B 202 mPHE.B 12 21.37 79.21 30.04 21.47 78.30 30.44 18.97 79.33 29.29 18.09 79.95 28.67 20.43 79.54 28.96 20.79 78.73 27.71 3 0 9.29-999 ?-999 ?-999 ? C1 EDO B 202 mILE.B 13 18.70 78.44 30.23 19.50 78.02 30.65 17.20 77.93 32.08 18.20 77.76 32.77 17.32 78.12 30.58 16.79 76.83 29.89 3 0 6.27-999 ?-999 ?-999 ? O2 EDO B 203 mPHE.B 14 15.94 77.89 32.53 15.25 78.05 31.83 15.49 76.16 34.07 14.90 75.51 33.22 15.58 77.67 33.92 14.22 78.30 34.21 3 0 -4.36-999 ?-999 ?-999 ? O2 EDO B 203s mLEU.B 15 16.09 75.61 35.12 16.52 76.27 35.74 15.96 73.94 36.83 16.77 74.46 37.62 16.11 74.18 35.34 17.47 73.67 34.88 3 0 -3.48-999 ?-999 ?-999 ? O2 EDO B 203s mTHR~B 16 14.94 73.17 37.23 14.31 72.90 36.51 15.80 71.69 39.02 16.39 71.02 38.14 14.80 72.79 38.63 13.39 72.27 38.96 2 0 5.76-999 ?-999 ?-999 ? O2 EDO B 203 mASP~B 17 15.98 71.48 40.33 15.48 72.09 40.94 16.34 69.05 40.35 17.15 68.18 40.02 16.84 70.41 40.79 17.03 70.46 42.30 2 0 9.08-999 ?-999 ?-999 ? O2 EDO B 203 mGLU~B 18 15.02 68.89 40.31 14.48 69.69 40.59 14.74 67.39 38.41 15.08 66.27 38.03 14.43 67.64 39.89 12.92 67.59 40.19 2 0 8.77-999 ?-999 ?-999 ? C2 EDO B 203 mASP~B 19 14.65 68.44 37.58 14.32 69.27 38.04 16.45 67.99 35.95 16.76 67.20 35.06 15.00 68.37 36.15 14.88 69.73 35.48 2 0 -6.08-999 ?-999 ?-999 ? C2 EDO B 203s mALA~B 20 17.33 68.60 36.74 16.91 69.28 37.34 19.07 66.79 36.97 19.82 66.17 36.20 18.77 68.29 36.70 19.54 69.21 37.64 2 0 8.56-999 ?-999 ?-999 ? O2 EDO B 203 mGLY~B 21 18.44 66.20 38.00 17.92 66.83 38.58 18.02 63.90 37.09 18.72 62.97 36.65 18.53 64.75 38.24-999.99-999.99-999.99 1 0 11.47-999 ?-999 ?-999 ? C2 EDO B 203 mTHR~B 22 16.84 64.24 36.60 16.40 65.00 37.08 17.17 63.59 34.26 17.52 62.56 33.67 16.23 63.56 35.46 14.87 64.21 35.09 2 0 10.48-999 ?-999 ?-999 ? C2 EDO B 203 mLEU~B 23 17.59 64.79 33.91 17.32 65.53 34.53 19.70 64.16 32.86 20.12 63.47 31.91 18.40 64.98 32.72 18.63 66.50 32.62 3 0 10.11-999 ?-999 ?-999 ? C2 EDO B 203 mSER~B 24 20.31 64.20 34.05 19.81 64.72 34.74 21.57 62.04 34.10 22.55 61.48 33.58 21.59 63.55 34.30 22.06 63.83 35.72 2 0 13.29-999 ?-999 ?-999 ? O2 EDO B 203 mALA~B 25 20.47 61.39 34.51 19.80 61.98 34.96 20.46 59.53 32.86 20.94 58.44 32.57 20.26 59.95 34.33 18.85 59.55 34.80 2 0 15.34-999 ?-999 ?-999 ? C2 EDO B 203 mPHE~B 26 20.09 60.41 31.94 19.75 61.28 32.28 21.61 60.16 29.99 21.91 59.59 28.93 20.20 60.05 30.52 19.28 60.94 29.66 3 0 15.44-999 ?-999 ?-999 ? C2 EDO B 203 mPHE~B 27 22.46 60.93 30.66 22.11 61.30 31.52 24.86 60.32 30.80 24.90 60.22 32.06 23.81 61.19 30.12 24.19 62.65 30.30 3 0 15.60-999 ?-999 ?-999 ? O2 EDO B 202 mGLN^B 28 25.69 59.67 29.97 25.53 59.86 29.00 28.10 59.38 30.45 28.46 60.04 29.49 26.73 58.76 30.50 26.72 57.47 29.72 2 0 17.56-999 ?-999 ?-999 ? O2 EDO B 202 mLEU^B 29 28.84 59.19 31.54 28.37 58.70 32.27 31.11 58.81 30.78 31.06 57.58 30.82 30.22 59.67 31.65 30.70 59.57 33.13 3 0 17.49-999 ?-999 ?-999 ? O2 EDO B 202 mLYS^B 30 31.98 59.46 30.02 31.96 60.45 30.11 34.25 59.47 29.23 34.35 60.68 29.02 32.88 58.76 29.14 32.25 58.75 27.73 2 0 17.92-999 ?-999 ?-999 ? O2 EDO B 202 mLYS^B 31 35.29 58.74 29.63 35.06 57.82 29.96 37.44 58.59 28.47 37.45 57.37 28.43 36.66 59.29 29.57 37.42 59.08 30.88 2 0 18.09-999 ?-999 ?-999 ? O3 GOL B 201 mVAL^B 32 38.12 59.36 27.62 38.03 60.34 27.79 40.28 59.39 26.50 40.47 60.56 26.84 38.91 58.78 26.54 38.26 58.96 25.12 3 0 17.35-999 ?-999 ?-999 ? O3 GOL B 201 mARG.B 33 41.24 58.58 26.05 40.94 57.63 25.92 42.65 59.76 24.45 41.73 59.63 23.62 42.59 59.02 25.78 43.51 57.80 25.72 2 0 18.01-999 ?-999 ?-999 ? O3 GOL B 201 mLYS.B 34 43.71 60.53 24.22 44.36 60.63 24.98 43.84 60.12 21.80 44.24 58.97 22.00 43.84 61.17 22.91 45.04 62.13 22.81 2 0 15.98-999 ?-999 ?-999 ? O3 GOL B 201 mLYS.B 35 43.36 60.55 20.64 43.04 61.50 20.69 42.46 58.48 19.54 42.76 57.48 18.93 43.29 59.76 19.41 44.69 59.52 18.80 2 0 16.43-999 ?-999 ?-999 ? O3 GOL B 201 mGLU.B 36 41.41 58.53 20.36 41.32 59.39 20.87 39.33 57.69 19.52 38.74 58.77 19.59 40.49 57.42 20.47 39.97 57.26 21.91 2 0 17.49-999 ?-999 ?-999 ? O3 GOL B 201 mTHR^B 37 39.02 56.73 18.66 39.61 55.92 18.71 36.57 56.46 18.37 36.45 55.35 18.91 37.90 56.85 17.72 38.16 56.02 16.45 2 0 17.40-999 ?-999 ?-999 ? O2 GOL B 201 mLEU^B 38 35.60 57.37 18.31 35.87 58.20 17.82 33.19 56.84 17.86 32.11 56.37 18.22 34.27 57.17 18.88 33.84 58.44 19.60 3 0 16.45-999 ?-999 ?-999 ? O2 GOL B 201 mLEU^B 39 33.46 57.12 16.59 34.37 57.51 16.46 33.34 56.74 14.22 34.29 57.51 14.05 32.51 56.86 15.50 31.50 58.02 15.37 3 0 16.76-999 ?-999 ?-999 ? O2 GOL B 201 mLYS.B 40 32.97 55.78 13.36 32.19 55.24 13.66 32.67 55.78 10.98 31.49 55.46 11.16 33.67 55.57 12.10 34.19 54.13 12.04 2 0 18.73-999 ?-999 ?-999 ? O2 GOL B 201 mTHR.B 41 33.12 56.37 9.86 34.04 56.75 9.94 31.66 55.09 8.40 32.34 54.07 8.46 32.30 56.46 8.64 33.15 56.88 7.41 2 0 19.19-999 ?-999 ?-999 ? O2 GOL B 201 mGLY.B 42 30.34 55.05 8.15 29.87 55.93 8.19 28.99 53.07 9.01 28.14 52.21 8.78 29.68 53.78 7.85-999.99-999.99-999.99 1 0 22.16-999 ?-999 ?-999 ? O2 GOL B 201 mGLU.B 43 29.39 53.43 10.23 30.16 54.07 10.21 27.50 53.74 11.79 27.48 54.99 11.64 28.79 52.96 11.49 29.79 53.22 12.63 2 0 21.76-999 ?-999 ?-999 ? O2 GOL B 201 mILE.B 44 26.45 53.06 12.25 26.58 52.07 12.31 25.55 54.75 13.74 26.05 54.37 14.81 25.22 53.76 12.63 24.08 52.80 13.10 3 0 21.70-999 ?-999 ?-999 ? O2 GOL B 201 mCYH.B 45 25.25 56.02 13.48 24.87 56.20 12.57 24.25 57.18 15.37 23.14 57.52 14.91 25.47 57.05 14.46 25.77 58.37 13.75 2 0 18.27-999 ?-999 ?-999 ? O2 GOL B 201 mARG.B 46 24.47 56.88 16.66 25.41 56.60 16.87 23.70 57.86 18.86 22.84 58.04 19.73 23.38 56.97 17.65 22.95 55.57 18.13 2 0 19.05-999 ?-999 ?-999 ? O2 GOL B 201 mILE^B 47 24.90 58.47 18.89 25.43 58.39 18.04 25.73 60.64 19.85 26.43 60.95 18.85 25.35 59.17 20.10 26.57 58.43 20.77 3 0 16.04-999 ?-999 ?-999 ? O2 EDO B 202 mASN^B 48 25.22 61.50 20.72 24.57 61.07 21.35 26.49 63.16 21.97 26.17 62.67 23.07 25.57 62.94 20.76 24.26 63.74 20.86 2 0 12.23-999 ?-999 ?-999 ? O2 EDO B 202 mTYR^B 49 27.61 63.89 21.80 27.72 64.27 20.88 28.61 65.56 23.30 28.64 66.42 22.45 28.58 64.11 22.86 30.00 63.71 22.39 3 0 10.74-999 ?-999 ?-999 ? O2 EDO B 202 mPHE^B 50 28.61 65.79 24.63 28.37 64.99 25.17 30.36 66.96 25.77 30.71 66.01 26.48 28.92 67.06 25.24 27.98 67.31 26.44 3 0 8.11-999 ?-999 ?-999 ? O2 EDO B 202 mVAL^B 51 31.17 67.94 25.43 30.74 68.65 24.87 32.73 68.65 27.19 32.64 69.90 27.31 32.56 67.94 25.84 33.47 68.56 24.75 3 0 8.96-999 ?-999 ?-999 ? O2 EDO B 202 mVAL^B 52 32.99 67.85 28.23 33.00 66.88 28.00 34.64 69.04 29.66 34.81 70.19 30.07 33.22 68.41 29.57 32.97 67.35 30.68 3 0 10.69-999 ?-999 ?-999 ? O2 EDO B 202 mLYS.B 53 35.63 68.24 29.25 35.35 67.30 29.04 37.61 68.04 27.92 37.27 66.90 27.58 37.00 68.70 29.14 37.79 68.33 30.40 2 0 11.47-999 ?-999 ?-999 ? O3 GOL B 201 mGLY.B 54 38.50 68.76 27.24 38.68 69.67 27.60 38.70 68.75 24.71 38.31 69.92 24.58 39.13 68.19 26.05-999.99-999.99-999.99 1 0 9.88-999 ?-999 ?-999 ? O3 GOL B 201 mCYH^B 55 38.81 67.90 23.70 39.00 66.96 23.97 38.39 67.12 21.49 39.18 66.14 21.49 38.66 68.34 22.34 39.91 69.07 21.81 2 0 7.41-999 ?-999 ?-999 ? O3 GOL B 201 mLEU^B 56 37.25 67.19 20.80 36.68 67.97 21.04 37.04 66.78 18.38 36.91 67.99 18.19 36.88 66.21 19.77 35.40 65.76 19.94 3 0 8.01-999 ?-999 ?-999 ? O3 GOL B 201 mARG^B 57 37.27 65.90 17.41 37.42 64.96 17.72 36.39 65.42 15.18 36.18 64.23 15.45 37.29 66.31 16.02 38.71 66.36 15.43 2 0 8.57-999 ?-999 ?-999 ? O2 GOL B 201 mLEU^B 58 35.82 66.05 14.16 35.99 67.03 14.14 35.82 65.33 11.86 36.26 66.36 11.37 35.02 65.36 13.16 33.73 66.15 12.93 3 0 9.45-999 ?-999 ?-999 ? O2 GOL B 201 mPHE^B 59 36.00 64.15 11.28 35.58 63.36 11.72 36.32 63.03 9.11 35.55 62.14 9.50 36.80 64.10 10.06 38.32 63.97 10.37 3 0 12.59-999 ?-999 ?-999 ? O2 GOL B 201 mPHE^B 60 36.78 63.10 7.86 37.31 63.93 7.66 37.82 61.76 6.13 38.79 62.51 6.28 36.52 62.02 6.90 35.35 62.38 5.98 3 0 16.01-999 ?-999 ?-999 ? O2 GOL B 201 mILE^B 61 37.86 60.65 5.39 37.01 60.13 5.43 38.74 60.56 3.18 37.70 60.16 2.65 39.05 60.26 4.61 39.34 58.73 4.72 3 0 19.45-999 ?-999 ?-999 ? O2 GOL B 201 mASP.B 62 39.62 61.30 2.53 40.47 61.50 3.02 39.82 60.73 0.14 40.31 59.69 0.53 39.31 61.76 1.17 39.88 63.17 0.96 2 0 21.07-999 ?-999 ?-999 ? O2 GOL B 201 mGLU.B 63 39.67 61.00 -1.14 39.27 61.90 -1.32 41.56 59.66 -2.24 41.95 58.62 -2.80 40.07 60.02 -2.19 39.60 60.48 -3.57 2 0 24.88-999 ?-999 ?-999 ? O2 GOL B 201 mLYS.B 64 42.39 60.50 -1.64 41.95 61.31 -1.26 44.21 59.48 -0.30 45.40 59.17 -0.10 43.81 60.24 -1.57 44.60 61.53 -1.68 2 0 25.64-999 ?-999 ?-999 ? O2 GOL B 201 mGLY.B 65 43.22 59.17 0.54 42.30 59.43 0.22 43.87 59.46 2.91 44.37 59.03 3.94 43.45 58.50 1.80-999.99-999.99-999.99 1 0 24.12-999 ?-999 ?-999 ? O2 GOL B 201 mILE.B 66 43.66 60.75 2.70 43.15 60.98 1.87 42.97 62.19 4.50 41.91 62.56 3.97 44.15 61.73 3.63 44.74 62.94 2.90 3 0 21.37-999 ?-999 ?-999 ? O2 GOL B 201 mGLU^B 67 43.19 62.18 5.81 44.06 61.78 6.09 41.99 64.20 6.55 42.94 65.01 6.54 42.22 62.72 6.76 42.68 62.47 8.20 2 0 17.84-999 ?-999 ?-999 ? O2 GOL B 201 mGLN^B 68 40.73 64.57 6.40 40.10 63.80 6.32 39.46 66.30 7.57 38.35 65.77 7.68 40.33 65.99 6.36 39.53 66.29 5.08 2 0 15.33-999 ?-999 ?-999 ? O2 GOL B 201 mTHR^B 69 39.92 67.21 8.44 40.81 67.59 8.21 38.16 68.73 9.28 38.57 69.81 8.84 39.13 67.57 9.62 40.08 67.96 10.78 2 0 11.65-999 ?-999 ?-999 ? O2 GOL B 201 mTHR^B 70 36.88 68.48 9.53 36.73 67.60 9.99 35.49 70.34 10.32 35.12 71.51 10.10 35.78 69.39 9.16 34.56 68.52 8.82 2 0 9.69-999 ?-999 ?-999 ? O2 GOL B 201 mGLN^B 71 35.67 69.86 11.55 35.90 68.89 11.63 36.01 70.11 13.94 36.27 68.89 14.00 35.52 70.75 12.67 34.04 71.10 12.89 2 0 -6.12-999 ?-999 ?-999 ? O2 GOL B 201s mPHE^B 72 36.06 70.94 14.97 35.85 71.90 14.74 35.23 70.85 17.22 34.33 71.63 16.84 36.39 70.49 16.30 37.67 71.19 16.77 3 0 -4.70-999 ?-999 ?-999 ? O3 GOL B 201s mALA^B 73 35.26 70.29 18.42 35.96 69.58 18.52 35.19 70.68 20.76 35.71 69.62 21.17 34.36 70.68 19.50 33.16 69.69 19.63 2 0 -3.41-999 ?-999 ?-999 ? O3 GOL B 201s mILE^B 74 35.33 71.86 21.39 34.90 72.63 20.91 35.08 72.00 23.86 33.88 71.80 23.68 36.05 71.98 22.65 37.01 73.20 22.64 3 0 -4.16-999 ?-999 ?-999 ? O3 GOL B 201s mGLU.B 75 35.59 72.25 25.07 36.58 72.39 25.06 33.45 73.09 26.13 33.46 74.25 25.60 34.76 72.29 26.29 35.58 72.86 27.49 2 0 7.35-999 ?-999 ?-999 ? O3 GOL B 201 mASN.B 76 32.34 72.49 26.56 32.54 71.58 26.93 30.29 73.11 25.16 29.19 73.68 25.05 30.98 73.07 26.51 30.97 74.46 27.17 2 0 -5.09-999 ?-999 ?-999 ? O1 EDO B 202s mTRP.B 77 30.91 72.53 24.13 31.84 72.23 24.35 29.85 70.90 22.64 30.21 70.04 23.46 30.29 72.36 22.81 31.28 72.74 21.69 3 0 3.84-999 ?-999 ?-999 ? O2 EDO B 202 mTRP^B 78 29.02 70.66 21.62 28.86 71.46 21.05 28.92 68.81 20.04 29.15 69.59 19.10 28.42 69.35 21.37 26.91 69.54 21.30 3 0 5.85-999 ?-999 ?-999 ? O2 EDO B 202 mLEU^B 79 29.04 67.48 19.92 28.88 66.93 20.74 28.75 65.62 18.33 28.68 64.76 19.21 29.40 66.95 18.60 30.93 66.83 18.46 3 0 7.49-999 ?-999 ?-999 ? O2 GOL B 201 mSER.B 80 28.30 65.47 17.09 28.24 66.34 16.60 28.00 64.36 14.99 28.36 65.44 14.51 27.91 64.15 16.53 26.48 63.82 16.97 2 0 10.61-999 ?-999 ?-999 ? O2 GOL B 201 mASP~B 81 27.68 63.33 14.21 27.61 62.47 14.71 25.96 63.68 12.77 25.20 62.72 12.88 27.48 63.47 12.77 27.88 62.12 12.11 2 0 12.30-999 ?-999 ?-999 ? O2 GOL B 201 mTYR~B 82 25.53 64.94 12.70 26.21 65.63 12.44 23.13 64.73 11.95 22.01 64.44 12.30 24.12 65.23 12.99 23.91 66.72 13.28 3 0 12.82-999 ?-999 ?-999 ? O2 GOL B 201 mMETB 83 23.54 64.64 10.70 24.46 64.96 10.50 22.40 62.61 10.03 21.24 62.12 10.09 22.62 64.10 9.71 23.17 64.27 8.29 2 0 15.90-999 ?-999 ?-999 ? O2 GOL B 201 mALA~B 84 23.50 61.91 10.30 24.35 62.43 10.27 22.66 60.24 11.94 21.84 59.30 12.07 23.39 60.48 10.61 24.77 59.83 10.57 2 0 17.48-999 ?-999 ?-999 ? O2 GOL B 201 mPHE~B 85 22.97 61.08 12.93 23.69 61.73 12.70 20.79 61.19 14.09 20.01 60.35 14.60 22.31 61.03 14.24 22.90 62.14 15.13 3 0 16.64-999 ?-999 ?-999 ? O2 GOL B 201 mGLN~B 86 20.33 62.24 13.40 21.02 62.82 12.96 18.15 61.47 12.43 16.96 61.22 12.66 18.89 62.46 13.33 18.53 63.90 12.99 2 0 17.95-999 ?-999 ?-999 ? O2 EDO B 202 mLYS~B 87 18.83 60.92 11.44 19.78 61.23 11.38 18.41 58.52 11.01 17.82 57.59 10.45 18.21 59.96 10.52 18.71 60.11 9.07 2 0 21.11-999 ?-999 ?-999 ? O2 GOL B 201 mGLN~B 88 19.23 58.35 12.05 19.63 59.20 12.38 20.12 56.10 11.62 19.68 54.95 11.42 19.51 57.03 12.65 18.25 56.41 13.27 2 0 21.73-999 ?-999 ?-999 ? O2 GOL B 201 mGLN.B 89 21.13 56.61 10.93 21.45 57.50 11.26 23.23 55.90 9.83 23.83 56.56 10.68 21.69 55.90 9.80 21.11 56.46 8.49 2 0 22.19-999 ?-999 ?-999 ? O2 GOL B 201 mPRO.B 90 23.89 55.12 8.92 23.31 54.58 8.30 26.02 56.52 8.72 25.51 57.38 7.97 25.36 55.12 8.89 25.69 54.20 7.72 3 0 21.61-999 ?-999 ?-999 ? O2 GOL B 201 mALA.B 91 27.12 56.71 9.43 27.44 55.87 9.88 28.56 58.31 8.26 29.07 57.44 7.56 27.83 57.99 9.54 28.83 57.94 10.72 2 0 18.12-999 ?-999 ?-999 ? O2 GOL B 201 mASP.B 92 28.61 59.60 7.93 27.97 60.17 8.43 30.92 60.36 7.48 31.90 60.40 6.73 29.53 60.10 6.91 28.96 61.39 6.30 2 0 17.36-999 ?-999 ?-999 ? O2 GOL B 201 mPHE.B 93 31.02 60.55 8.81 30.19 60.34 9.32 32.80 60.10 10.49 32.05 59.33 11.08 32.27 61.03 9.41 32.05 62.40 10.10 3 0 14.84-999 ?-999 ?-999 ? O2 GOL B 201 mTYR^B 94 34.09 60.26 10.79 34.62 60.76 10.10 34.54 60.85 13.09 34.57 62.05 12.78 34.68 59.76 12.02 36.17 59.50 11.83 3 0 14.88-999 ?-999 ?-999 ? O2 GOL B 201 mILE^B 95 34.42 60.41 14.34 34.15 59.45 14.39 35.82 60.67 16.31 35.84 59.47 16.58 34.68 61.26 15.51 33.45 61.35 16.44 3 0 12.52-999 ?-999 ?-999 ? O2 GOL B 201 mGLN^B 96 36.77 61.52 16.68 36.61 62.48 16.44 38.40 62.09 18.38 38.29 63.30 18.09 37.95 61.04 17.40 39.05 60.78 16.39 2 0 13.38-999 ?-999 ?-999 ? O3 GOL B 201 mSER^B 97 38.89 61.67 19.55 38.83 60.69 19.72 40.80 63.21 20.01 41.59 62.49 19.39 39.47 62.65 20.48 39.64 62.06 21.86 2 0 12.23-999 ?-999 ?-999 ? O3 GOL B 201 mVAL.B 98 41.03 64.49 20.31 40.29 64.92 20.82 43.19 65.23 21.14 44.40 65.11 20.98 42.25 65.20 19.93 41.92 66.65 19.41 3 0 11.37-999 ?-999 ?-999 ? O3 GOL B 201 mGLU.B 99 42.60 65.43 22.32 41.61 65.56 22.23 42.59 64.37 24.45 41.60 63.80 23.99 43.29 65.46 23.61 43.10 66.86 24.25 2 0 12.65-999 ?-999 ?-999 ? O3 GOL B 201 mASN.B 100 43.09 64.07 25.65 44.01 64.41 25.82 41.04 64.11 26.84 41.08 65.36 26.93 42.31 63.32 26.61 43.07 63.14 27.94 2 0 14.90-999 ?-999 ?-999 ? O3 GOL B 201 mCYH^B 101 39.91 63.40 26.92 40.03 62.41 26.88 37.81 63.51 28.19 37.94 62.34 28.55 38.61 64.07 27.04 37.76 63.86 25.79 2 0 13.17-999 ?-999 ?-999 ? O3 GOL B 201 mGLU^B 102 36.92 64.35 28.71 37.08 65.31 28.47 34.58 64.29 28.79 34.42 65.47 28.42 35.84 63.89 29.57 35.87 64.60 30.90 2 0 14.54-999 ?-999 ?-999 ? O3 GOL B 201 mLEU^B 103 33.73 63.31 28.53 33.98 62.43 28.93 31.31 63.06 28.45 31.40 62.15 29.30 32.53 63.54 27.71 32.62 62.73 26.42 3 0 13.13-999 ?-999 ?-999 ? O2 EDO B 202 mLEU^B 104 30.18 63.66 28.11 30.30 64.51 27.59 28.21 62.70 27.18 28.20 63.49 26.23 28.89 63.10 28.47 28.03 64.10 29.24 3 0 12.86-999 ?-999 ?-999 ? O2 EDO B 202 mSER^B 105 27.67 61.49 27.14 27.74 60.97 28.00 25.56 60.69 26.13 25.13 60.26 27.22 27.03 60.99 25.92 27.74 59.74 25.42 2 0 14.03-999 ?-999 ?-999 ? O2 EDO B 202 mILE^B 106 24.77 60.92 25.07 25.24 61.33 24.29 22.97 59.98 23.76 23.52 60.37 22.71 23.34 60.58 25.10 22.42 61.81 25.45 3 0 14.85-999 ?-999 ?-999 ? O2 EDO B 202 mTHR^B 107 22.04 59.03 23.78 21.71 58.77 24.68 20.44 59.30 21.93 19.75 60.09 22.63 21.58 58.46 22.53 21.06 56.99 22.73 2 0 17.31-999 ?-999 ?-999 ? O2 EDO B 202 mTYR~B 108 20.24 59.11 20.63 20.91 58.51 20.20 17.82 59.49 20.60 17.06 60.42 20.86 19.15 59.74 19.91 19.11 59.34 18.40 3 0 17.44-999 ?-999 ?-999 ? O2 EDO B 202 mTHR~B 109 17.52 58.24 20.92 18.25 57.57 20.74 16.06 58.57 22.86 14.99 59.11 23.22 16.24 57.91 21.49 16.09 56.38 21.57 2 0 19.61-999 ?-999 ?-999 ? C2 EDO B 203 mGLU~B 110 17.14 58.55 23.63 17.94 58.09 23.26 16.93 60.68 24.84 16.15 61.26 25.62 17.10 59.18 24.93 18.36 58.83 25.73 2 0 16.90-999 ?-999 ?-999 ? C2 EDO B 203 mGLN~B 111 17.66 61.31 23.91 18.25 60.72 23.37 16.13 63.13 23.32 15.59 64.11 23.81 17.56 62.76 23.73 18.60 63.28 22.70 2 0 15.00-999 ?-999 ?-999 ? C2 EDO B 203 mGLU~B 112 15.53 62.36 22.42 16.12 61.65 22.03 13.16 62.48 23.24 12.30 63.34 23.37 14.12 62.57 22.06 13.72 61.58 20.95 2 0 15.49-999 ?-999 ?-999 ? C2 EDO B 203 mASN~B 113 13.31 61.45 24.09 13.98 60.77 23.80 12.78 62.56 26.27 11.83 63.03 26.92 12.56 61.36 25.34 12.96 60.10 26.10 2 0 14.16-999 ?-999 ?-999 ? C2 EDO B 203 mLEU~B 114 14.03 63.00 26.38 14.70 62.50 25.84 13.66 65.40 26.76 13.11 66.14 27.58 14.38 64.12 27.22 15.90 64.30 27.19 3 0 11.00-999 ?-999 ?-999 ? C2 EDO B 203 mPHE~B 115 13.64 65.66 25.44 14.17 65.02 24.88 11.43 66.74 25.36 10.81 67.76 25.68 12.89 66.81 24.92 12.97 66.86 23.39 3 0 10.48-999 ?-999 ?-999 ? C2 EDO B 203 mGLU~B 116 10.86 65.53 25.36 11.46 64.79 25.06 9.32 65.64 27.30 8.42 66.39 27.71 9.47 65.36 25.79 8.95 63.97 25.44 2 0 11.14-999 ?-999 ?-999 ? C2 EDO B 203 mARG~B 117 10.21 65.06 28.09 10.91 64.56 27.59 10.47 66.57 30.06 9.80 67.04 30.97 10.17 65.16 29.56 11.18 64.20 30.18 2 0 9.01-999 ?-999 ?-999 ? C2 EDO B 203 mILE~B 118 11.47 67.23 29.47 11.92 66.75 28.72 11.83 69.47 28.71 12.87 69.67 28.09 11.85 68.56 29.93 13.23 68.57 30.60 3 0 5.65-999 ?-999 ?-999 ? C2 EDO B 203 mPRO.B 119 10.64 69.98 28.33 9.88 69.79 28.95 11.30 72.07 27.13 11.64 72.59 26.07 10.52 70.75 27.10 9.02 71.01 26.98 3 0 6.87-999 ?-999 ?-999 ? C2 EDO B 203 mALA~B 120 11.62 72.59 28.32 11.20 72.15 29.11 13.86 73.53 27.62 14.50 74.50 27.17 12.55 73.75 28.37 12.86 74.12 29.85 2 0 -4.85-999 ?-999 ?-999 ? O1 EDO B 203s mLEU~B 121 14.29 72.28 27.51 13.69 71.61 27.94 15.52 72.29 25.31 16.57 72.44 24.70 15.55 71.94 26.80 15.96 70.47 26.96 3 0 7.02-999 ?-999 ?-999 ? O2 EDO B 203 mGLU~B 122 14.33 72.45 24.73 13.56 72.24 25.33 14.92 74.23 23.16 15.64 74.40 22.19 14.19 72.90 23.34 12.72 73.05 22.94 2 0 9.92-999 ?-999 ?-999 ? O2 EDO B 203 mARG~B 123 14.73 75.17 24.09 14.09 74.93 24.82 16.99 76.28 24.13 17.76 76.95 23.41 15.44 76.46 24.00 14.94 77.41 25.10 2 0 9.72-999 ?-999 ?-999 ? O2 EDO B 203 mTYR~B 124 17.43 75.41 25.06 16.72 74.98 25.62 19.46 74.65 23.88 20.48 75.19 23.37 18.88 75.15 25.21 19.16 74.14 26.33 3 0 8.68-999 ?-999 ?-999 ? O2 EDO B 202 mPHE~B 125 18.86 73.59 23.32 18.08 73.21 23.82 19.13 73.99 20.84 19.94 73.99 19.93 19.38 73.08 22.07 18.93 71.63 21.81 3 0 8.23-999 ?-999 ?-999 ? O2 EDO B 202 mARG~B 126 18.07 74.80 20.85 17.43 74.64 21.61 19.14 76.75 19.85 19.76 77.05 18.79 17.90 75.83 19.81 16.60 76.67 20.06 2 0 9.93-999 ?-999 ?-999 ? C2 EDO B 202 mLEU~B 127 19.55 77.18 21.06 18.99 76.88 21.83 22.05 77.30 20.80 22.87 77.89 20.09 20.75 78.01 21.19 20.85 78.61 22.60 3 0 7.09-999 ?-999 ?-999 ? C2 EDO B 202 mVAL~B 128 22.23 76.04 21.23 21.50 75.68 21.80 23.52 75.11 19.34 24.58 75.38 18.75 23.41 75.28 20.86 23.39 73.87 21.55 3 0 4.46-999 ?-999 ?-999 ? C2 EDO B 202 mTYR~B 129 22.42 74.72 18.70 21.61 74.58 19.28 22.53 75.81 16.46 23.20 75.84 15.42 22.44 74.51 17.26 21.28 73.62 16.78 3 0 7.51-999 ?-999 ?-999 ? C2 EDO B 202 mGLN~B 130 21.93 76.88 16.95 21.40 76.72 17.79 23.55 78.61 16.29 24.07 79.03 15.25 22.07 78.18 16.30 21.24 79.20 17.06 2 0 8.58-999 ?-999 ?-999 ? C2 EDO B 202 mLYS~B 131 24.20 78.49 17.44 23.65 78.14 18.20 26.48 77.93 16.75 27.45 78.37 16.10 25.60 78.86 17.56 25.99 78.85 19.05 2 0 6.10-999 ?-999 ?-999 ? C2 EDO B 202 mSER~B 132 26.17 76.63 16.78 25.38 76.40 17.35 26.87 75.90 14.50 27.87 75.88 13.76 26.97 75.65 15.99 26.50 74.22 16.32 2 0 5.91-999 ?-999 ?-999 ? C1 GOL B 201 mPHE~B 133 25.64 76.17 14.04 24.91 76.12 14.71 26.12 77.82 12.23 26.74 77.86 11.17 25.44 76.50 12.63 23.94 76.50 12.34 3 0 8.47-999 ?-999 ?-999 ? C1 GOL B 201 mALA~B 134 26.02 78.87 13.06 25.42 78.69 13.85 28.22 79.88 12.61 28.80 80.37 11.63 26.72 80.15 12.83 26.49 81.13 14.01 2 0 8.30-999 ?-999 ?-999 ? O1 GOL B 201 mALA~B 135 28.81 79.05 13.50 28.19 78.71 14.21 30.53 77.93 12.13 31.57 78.20 11.47 30.23 78.68 13.42 30.65 77.85 14.65 2 0 -5.00-999 ?-999 ?-999 ? O1 GOL B 201s mALA~B 136 29.66 76.98 11.77 28.92 76.84 12.42 29.77 77.13 9.24 30.53 76.93 8.27 29.83 76.24 10.50 28.77 75.05 10.42 2 0 6.93-999 ?-999 ?-999 ? C1 GOL B 201 mGLN~B 137 28.85 78.09 9.23 28.23 78.09 10.01 30.12 79.79 7.95 30.66 79.85 6.85 28.78 79.05 8.14 27.68 80.06 8.44 2 0 10.02-999 ?-999 ?-999 ? C1 GOL B 201 mLEU~B 138 30.67 80.30 9.05 30.11 80.20 9.86 33.09 80.00 8.58 33.96 80.37 7.78 31.99 80.95 9.05 32.33 81.42 10.47 3 0 9.08-999 ?-999 ?-999 ? O1 GOL B 201 mARG~B 139 33.03 78.76 9.03 32.28 78.57 9.66 34.05 77.60 7.07 35.14 77.46 6.44 34.06 77.80 8.60 33.92 76.46 9.34 2 0 -8.45-999 ?-999 ?-999 ? C1 GOL B 201s mSER~B 140 32.86 77.66 6.47 32.10 77.82 7.10 33.41 78.63 4.28 34.04 78.39 3.23 32.70 77.50 5.02 31.22 77.43 4.61 2 0 11.82-999 ?-999 ?-999 ? C1 GOL B 201 mLYS~B 141 33.33 79.85 4.82 32.78 79.89 5.66 35.47 80.74 4.20 36.17 81.05 3.24 33.98 81.00 4.22 33.71 82.29 5.03 2 0 13.58-999 ?-999 ?-999 ? C1 GOL B 201 mPHE~B 142 35.97 80.16 5.27 35.32 79.94 5.99 37.84 78.65 4.53 38.92 78.63 3.90 37.41 79.92 5.31 37.91 80.06 6.75 3 0 12.96-999 ?-999 ?-999 ? O1 GOL B 201 mGLN~B 143 36.97 77.65 4.52 36.22 77.80 5.17 36.98 76.79 2.15 37.62 76.12 1.34 37.06 76.46 3.67 36.01 75.41 4.13 2 0 13.74-999 ?-999 ?-999 ? C1 GOL B 201 mHIS~B 144 36.19 77.82 1.77 35.64 78.17 2.52 37.32 79.33 0.07 37.47 79.80 -1.08 36.16 78.36 0.38 34.85 79.09 0.08 3 0 16.87-999 ?-999 ?-999 ? C1 GOL B 201 mMETB 145 38.13 79.65 1.08 37.84 79.32 1.97 40.58 79.54 0.82 41.46 79.71 -0.03 39.35 80.44 0.85 39.53 81.54 1.90 2 0 17.78-999 ?-999 ?-999 ? C1 GOL B 201