HEADER UNKNOWN FUNCTION 21-JUL-06 2HSB COMPND HYPOTHETICAL UPF0332 PROTEIN AF0298; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: NP_069135.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 24 13 HET MSE A 38 8 HET MSE A 45 8 HET SO4 A 126 5 HET SO4 A 127 5 HET SO4 A 128 5 HET PG4 A 129 13 HET PG4 A 130 9 HET PG4 A 131 7 HET PG4 A 132 13 HET PG4 A 133 7 SITE 1 AC1 5 TYR A 36 HIS A 56 ARG A 87 TYR A 92 SITE 1 AC2 4 SER A 53 LYS A 54 THR A 55 GLY A 58 SITE 1 AC3 5 ARG A 9 GLU A 12 ARG A 57 GLY A 58 SITE 1 AC4 8 GLY A 0 GLU A 5 TYR A 61 TRP A 64 SITE 1 AC5 5 GLU A 111 ILE A 112 GLN A 115 ASN A 119 SITE 1 AC6 7 GLU A 23 ASP A 75 LYS A 79 LEU A 107 SITE 1 AC7 8 ARG A 82 ASP A 101 ILE A 104 LYS A 105 SITE 1 AC8 7 ASP A 75 SER A 78 LYS A 79 ARG A 82 mGLY.A 0 52.50 16.18 34.46 51.96 16.00 33.64 52.66 17.52 36.54 51.55 17.95 36.27 53.31 16.44 35.68-999.99-999.99-999.99 1 0 -3.41-999 ?-999 ?-999 ? C6 PG4 A 129s mMETA 1 53.38 17.94 37.58 54.23 17.44 37.70 53.61 20.36 38.04 53.69 21.29 38.84 52.95 19.03 38.45 53.30 18.71 39.91 2 0 4.48-999 ?-999 ?-999 ? C6 PG4 A 129 mASP~A 2 54.07 20.45 36.79 54.00 19.61 36.26 53.51 22.72 35.97 52.36 22.34 35.75 54.62 21.70 36.28 55.42 21.46 35.02 2 0 7.69-999 ?-999 ?-999 ? C8 PG4 A 129 mGLU~A 3 53.90 23.99 35.91 54.90 24.11 35.97 52.17 25.01 34.46 50.99 25.34 34.44 52.97 25.10 35.75 53.71 26.44 35.82 2 0 9.79-999 ?-999 ?-999 ? O1 PG4 A 129 mLEU~A 4 52.80 24.57 33.37 53.75 24.30 33.50 50.92 23.55 32.16 49.80 23.89 31.77 52.10 24.51 32.08 53.05 24.11 30.96 3 0 8.23-999 ?-999 ?-999 ? O1 PG4 A 129 mGLU~A 5 51.17 22.37 32.70 52.11 22.24 33.01 49.04 21.84 33.74 47.87 21.75 33.42 50.14 21.36 32.81 50.74 20.04 33.31 2 0 -5.39-999 ?-999 ?-999 ? O1 PG4 A 129s mLEU~A 6 49.42 22.37 34.90 50.41 22.48 35.00 47.54 23.91 35.47 46.36 23.97 35.83 48.44 22.75 35.91 49.14 23.06 37.22 3 0 7.26-999 ?-999 ?-999 ? C4 PG4 A 129 mARG~A 7 48.12 24.85 34.71 49.11 24.73 34.60 46.30 25.46 33.12 45.17 25.93 33.13 47.36 25.95 34.11 48.28 26.87 33.32 2 0 10.08-999 ?-999 ?-999 ? O4 SO4 A 128 mILE~A 8 46.69 24.55 32.24 47.65 24.28 32.30 44.68 23.22 32.00 43.49 23.37 31.71 45.75 24.02 31.27 46.46 23.17 30.21 3 0 7.41-999 ?-999 ?-999 ? O4 SO4 A 128 mARG~A 9 45.08 22.42 32.97 46.07 22.38 33.12 43.12 22.60 34.47 41.91 22.38 34.46 44.10 21.65 33.74 44.81 20.73 34.74 2 0 -4.80-999 ?-999 ?-999 ? O4 SO4 A 128s mLYS~A 10 43.65 23.65 35.07 44.65 23.67 35.02 41.81 25.29 34.73 40.63 25.39 35.03 42.80 24.67 35.73 43.67 25.75 36.33 2 0 7.85-999 ?-999 ?-999 ? O4 SO4 A 128 mALA~A 11 42.28 25.65 33.53 43.26 25.48 33.42 40.29 25.27 32.11 39.11 25.68 32.05 41.42 26.23 32.49 42.26 26.64 31.26 2 0 8.44-999 ?-999 ?-999 ? O4 SO4 A 128 mGLU~A 12 40.63 23.99 31.93 41.61 23.82 32.07 38.62 22.74 32.66 37.43 22.64 32.35 39.67 22.93 31.58 40.40 21.60 31.35 2 0 -5.57-999 ?-999 ?-999 ? O4 SO4 A 128s mLYS~A 13 39.05 22.67 33.91 40.04 22.68 33.98 37.18 23.81 35.13 35.99 23.69 35.37 38.12 22.60 35.06 38.91 22.49 36.37 2 0 6.75-999 ?-999 ?-999 ? O4 SO4 A 128 mLEU~A 14 37.73 25.00 34.93 38.72 24.99 34.75 35.85 26.18 33.88 34.73 26.61 34.13 36.92 26.21 34.99 37.78 27.47 34.94 3 0 10.15-999 ?-999 ?-999 ? O4 SO4 A 128 mVAL~A 15 36.19 25.69 32.69 37.14 25.40 32.63 34.06 24.70 32.03 32.92 25.06 31.86 35.20 25.61 31.59 35.80 25.08 30.25 3 0 10.16-999 ?-999 ?-999 ? O3 PG4 A 130 mGLN~A 16 34.36 23.56 32.64 35.34 23.38 32.72 32.49 23.34 34.26 31.26 23.24 34.26 33.31 22.68 33.14 33.88 21.33 33.60 2 0 9.84-999 ?-999 ?-999 ? O4 SO4 A 128 mASP~A 17 33.16 24.02 35.19 34.15 23.98 35.11 31.47 25.78 35.65 30.34 25.92 36.13 32.45 24.75 36.25 33.42 25.48 37.20 2 0 12.38-999 ?-999 ?-999 ? O4 SO4 A 128 mALA~A 18 31.92 26.53 34.64 32.86 26.33 34.37 29.88 26.94 33.32 28.80 27.52 33.36 31.10 27.55 33.99 31.92 28.31 32.94 2 0 14.08-999 ?-999 ?-999 ? O3 PG4 A 130 mLYS~A 19 30.07 25.79 32.68 31.02 25.48 32.65 27.88 24.75 33.14 26.69 24.96 32.91 28.95 25.07 32.08 29.43 23.80 31.39 2 0 12.12-999 ?-999 ?-999 ? O1 PG4 A 133 mLYS~A 20 28.32 24.29 34.31 29.31 24.19 34.36 26.71 25.21 35.99 25.53 25.14 36.37 27.40 23.98 35.41 28.13 23.22 36.52 2 0 14.72-999 ?-999 ?-999 ? O1 PG4 A 133 mGLU~A 21 27.45 26.31 36.13 28.42 26.18 35.95 25.77 27.98 35.51 24.67 28.38 35.89 26.84 27.58 36.53 27.91 28.67 36.69 2 0 15.44-999 ?-999 ?-999 ? O1 PG4 A 133 mPHE~A 22 26.09 27.87 34.23 27.02 27.54 34.05 23.80 27.41 33.37 22.71 27.97 33.33 25.11 28.20 33.19 25.67 27.99 31.78 3 0 11.89-999 ?-999 ?-999 ? O1 PG4 A 133 mGLU~A 23 23.92 26.11 33.59 24.86 25.79 33.67 21.89 25.59 34.93 20.67 25.45 34.89 22.74 25.25 33.71 23.16 23.79 33.74 2 0 -12.21-999 ?-999 ?-999 ? O1 PG4 A 133s mMETA 24 22.52 26.06 36.00 23.52 26.11 35.89 21.21 27.88 37.06 20.52 28.37 37.94 21.83 26.48 37.22 22.82 26.44 38.40 2 0 15.70-999 ?-999 ?-999 ? O1 PG4 A 133 mGLY~A 25 21.46 28.53 35.93 22.01 28.02 35.27 21.79 30.99 36.34 21.33 32.12 36.45 20.96 29.88 35.70-999.99-999.99-999.99 1 0 14.16-999 ?-999 ?-999 ? O5 PG4 A 132 mLEU~A 26 23.02 30.68 36.75 23.26 29.72 36.60 24.74 32.32 36.24 25.91 32.00 36.04 23.92 31.67 37.35 24.83 31.01 38.39 3 0 15.94-999 ?-999 ?-999 ? O5 PG4 A 132 mTYR~A 27 24.11 33.24 35.52 23.22 33.52 35.89 25.89 34.68 34.52 26.89 34.61 33.79 24.69 33.77 34.29 23.61 34.45 33.43 3 0 13.06-999 ?-999 ?-999 ? C6 PG4 A 132 mGLU~A 28 25.83 35.52 35.56 24.96 35.53 36.05 28.16 35.49 36.36 29.32 35.77 36.00 26.99 36.34 35.91 26.63 37.33 37.03 2 0 14.45-999 ?-999 ?-999 ? O2 SO4 A 126 mARG~A 29 27.88 34.48 37.17 26.91 34.36 37.37 29.62 32.86 36.56 30.84 32.75 36.51 28.96 33.63 37.72 28.45 32.63 38.77 2 0 13.32-999 ?-999 ?-999 ? O3 SO4 A 126 mCYH~A 30 28.81 32.36 35.63 27.84 32.47 35.84 30.29 32.59 33.65 31.38 32.11 33.28 29.28 31.72 34.41 28.10 31.39 33.47 2 0 13.28-999 ?-999 ?-999 ? C6 PG4 A 132 mCYH~A 31 29.94 33.85 33.41 29.04 34.11 33.76 32.17 34.96 33.38 33.22 34.95 32.74 30.83 34.77 32.68 30.16 36.13 32.48 2 0 12.33-999 ?-999 ?-999 ? C6 PG4 A 132 mSER~A 32 32.12 35.16 34.69 31.19 35.17 35.06 34.22 34.10 35.40 35.42 34.19 35.08 33.34 35.35 35.48 32.99 35.74 36.92 2 0 9.47-999 ?-999 ?-999 ? O3 SO4 A 126 mTHR~A 33 33.63 32.92 35.60 32.66 32.99 35.81 35.00 31.36 34.15 36.16 30.89 34.04 34.38 31.64 35.53 33.47 30.49 35.94 2 0 10.97-999 ?-999 ?-999 ? O3 SO4 A 126 mALA~A 34 34.21 31.61 33.11 33.28 31.89 33.37 35.81 32.40 31.42 36.74 32.00 30.72 34.64 31.50 31.72 33.47 31.81 30.73 2 0 12.85-999 ?-999 ?-999 ? O3 SO4 A 126 mTYR~A 35 35.79 33.63 31.94 34.96 33.89 32.43 38.20 33.90 32.47 39.32 33.89 31.93 36.95 34.50 31.77 36.71 35.94 32.28 3 0 10.09-999 ?-999 ?-999 ? O3 SO4 A 126 mTYR~A 36 38.02 33.42 33.69 37.10 33.53 34.07 39.75 31.61 33.63 40.97 31.44 33.60 39.14 32.79 34.39 38.76 32.46 35.84 3 0 -8.74-999 ?-999 ?-999 ? O3 SO4 A 126s mALA~A 37 38.90 30.82 32.99 37.94 31.05 33.09 40.31 30.24 31.11 41.42 29.75 30.90 39.39 29.70 32.20 38.22 28.91 31.59 2 0 12.13-999 ?-999 ?-999 ? O4 SO4 A 128 mMETA 38 39.85 31.28 30.44 38.95 31.59 30.73 41.92 32.54 29.84 42.96 32.49 29.17 40.63 31.89 29.36 39.77 32.90 28.63 2 0 12.26-999 ?-999 ?-999 ? C3 PG4 A 130 mPHE~A 39 41.85 33.20 30.99 40.92 33.28 31.34 44.12 32.70 31.88 45.29 32.90 31.49 43.03 33.74 31.67 42.62 34.34 33.03 3 0 10.15-999 ?-999 ?-999 ? O3 SO4 A 126 mHIS~A 40 43.76 31.58 32.50 42.80 31.53 32.78 45.29 29.96 31.41 46.47 29.62 31.30 44.76 30.53 32.72 44.21 29.44 33.62 3 0 12.10-999 ?-999 ?-999 ? O3 SO4 A 126 mALA~A 41 44.41 29.83 30.41 43.47 30.09 30.63 45.83 30.32 28.46 46.86 29.90 27.90 44.83 29.34 29.10 43.59 29.12 28.17 2 0 12.29-999 ?-999 ?-999 ? O4 SO4 A 128 mALA~A 42 45.54 31.62 28.56 44.65 31.80 28.99 47.81 32.62 28.78 48.84 32.62 28.12 46.44 32.67 28.07 45.81 34.07 28.26 2 0 11.32-999 ?-999 ?-999 ? O2 SO4 A 127 mLYS~A 43 47.80 32.53 30.11 46.88 32.57 30.51 49.82 31.16 30.49 51.06 31.20 30.44 49.02 32.40 30.89 48.74 32.38 32.39 2 0 9.88-999 ?-999 ?-999 ? O2 SO4 A 127 mALA~A 44 49.12 30.06 30.17 48.13 30.15 30.26 50.51 29.09 28.38 51.66 28.69 28.20 49.80 28.84 29.71 48.80 27.70 29.57 2 0 12.83-999 ?-999 ?-999 ? O1 PG4 A 129 mMETA 45 49.83 29.77 27.45 48.91 30.04 27.73 51.62 30.99 26.27 52.63 30.80 25.57 50.42 30.07 26.15 49.41 30.71 25.20 2 0 13.41-999 ?-999 ?-999 ? O2 SO4 A 127 mLEU~A 46 51.53 31.99 27.15 50.65 32.04 27.62 53.84 32.21 28.02 54.99 32.44 27.63 52.65 32.92 27.37 52.20 34.13 28.20 3 0 10.36-999 ?-999 ?-999 ? O2 SO4 A 127 mLEU~A 47 53.57 31.33 28.97 52.60 31.27 29.19 55.36 29.70 28.61 56.58 29.78 28.51 54.60 30.54 29.63 53.96 29.63 30.68 3 0 12.09-999 ?-999 ?-999 ? O2 SO4 A 127 mGLY~A 48 54.60 28.92 27.84 53.62 29.03 28.01 55.97 28.70 25.78 56.87 28.09 25.19 55.14 28.00 26.84-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? O1 PG4 A 129 mTYR~A 49 55.66 29.98 25.54 54.89 30.32 26.07 57.21 31.89 25.28 57.30 33.01 24.80 56.40 30.79 24.58 55.43 31.39 23.55 3 0 14.47-999 ?-999 ?-999 ? O2 SO4 A 127 mGLY~A 50 57.79 31.54 26.43 57.49 30.66 26.78 58.41 33.83 27.44 59.29 34.65 27.70 58.78 32.39 27.10-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? O2 SO4 A 127 mARG~A 51 57.12 34.15 27.44 56.52 33.40 27.15 56.00 35.38 29.23 55.69 34.29 29.71 56.63 35.47 27.83 55.58 35.96 26.83 2 0 9.45-999 ?-999 ?-999 ? O2 SO4 A 127 mASP~A 52 55.83 36.52 29.89 56.18 37.33 29.42 54.42 37.89 31.40 54.75 38.90 30.78 55.15 36.56 31.19 56.15 36.32 32.34 2 0 6.60-999 ?-999 ?-999 ? O2 SO4 A 127 mSER~A 53 53.41 37.85 32.27 53.29 36.96 32.70 52.25 39.02 34.07 52.41 38.01 34.75 52.56 39.00 32.58 51.26 38.87 31.79 2 0 -3.08-999 ?-999 ?-999 ? O2 SO4 A 127s mLYS~A 54 51.81 40.18 34.58 51.78 40.92 33.91 50.04 41.03 36.14 49.61 41.31 37.26 51.40 40.31 35.98 52.50 41.03 36.79 2 0 -3.68-999 ?-999 ?-999 ? O3 SO4 A 127s mTHR~A 55 49.36 41.31 35.03 49.81 41.02 34.19 47.14 41.40 33.99 47.62 40.85 32.99 48.06 41.98 35.06 48.21 43.51 34.82 2 0 -4.18-999 ?-999 ?-999 ? O4 SO4 A 127s mHIS~A 56 45.83 41.53 34.18 45.58 41.92 35.06 45.11 41.85 31.84 45.16 41.26 30.77 44.87 41.12 33.15 43.44 41.41 33.60 3 0 -6.62-999 ?-999 ?-999 ? O2 SO4 A 127s mARG~A 57 45.23 43.17 31.93 45.17 43.56 32.85 46.76 43.60 30.10 46.82 43.39 28.90 45.42 43.96 30.73 45.27 45.46 31.00 2 0 -6.32-999 ?-999 ?-999 ? O4 SO4 A 127s mGLY~A 58 47.82 43.49 30.90 47.64 43.71 31.86 49.05 41.73 29.62 49.58 41.59 28.51 49.12 43.06 30.36-999.99-999.99-999.99 1 0 3.35-999 ?-999 ?-999 ? O2 SO4 A 127s mTHR~A 59 48.38 40.75 30.23 48.03 40.99 31.14 47.46 39.54 28.28 47.89 38.96 27.27 48.20 39.44 29.61 47.45 38.50 30.56 2 0 4.93-999 ?-999 ?-999 ? O2 SO4 A 127 mILE~A 60 46.37 40.30 28.27 46.15 40.73 29.15 46.38 41.09 25.91 46.33 40.64 24.75 45.56 40.45 27.06 44.26 41.26 27.34 3 0 8.09-999 ?-999 ?-999 ? O2 SO4 A 127 mTYR~A 61 47.15 42.12 26.22 47.15 42.38 27.19 49.09 41.90 24.64 49.38 41.93 23.45 47.93 42.77 25.16 48.40 44.17 25.60 3 0 8.12-999 ?-999 ?-999 ? O1 SO4 A 127s mLEU~A 62 49.72 41.11 25.50 49.41 41.23 26.45 50.20 39.07 24.17 50.83 38.69 23.17 50.76 40.16 25.08 51.44 39.51 26.29 3 0 7.61-999 ?-999 ?-999 ? O2 SO4 A 127 mILE~A 63 49.02 38.56 24.51 48.67 38.86 25.39 48.09 38.25 22.25 48.36 37.64 21.21 48.33 37.62 23.63 47.01 37.11 24.24 3 0 10.27-999 ?-999 ?-999 ? O2 SO4 A 127 mTRP~A 64 47.58 39.48 22.24 47.32 39.84 23.13 48.76 40.28 20.22 48.83 39.87 19.07 47.43 40.22 20.98 46.91 41.63 21.24 3 0 -12.27-999 ?-999 ?-999 ? O2 SO4 A 127s mGLU~A 65 49.80 40.75 20.89 49.60 40.98 21.85 51.67 39.62 19.70 52.22 39.62 18.59 51.12 40.92 20.28 52.12 41.51 21.30 2 0 11.74-999 ?-999 ?-999 ? O1 SO4 A 127 mCYH~A 66 51.49 38.52 20.43 51.01 38.67 21.29 51.01 36.35 19.20 51.25 35.15 19.03 51.99 37.22 20.00 52.46 36.42 21.20 2 0 13.24-999 ?-999 ?-999 ? O1 SO4 A 127 mARG~A 67 49.93 36.92 18.67 49.92 37.92 18.69 49.30 35.16 16.97 48.90 33.98 16.88 48.86 36.07 18.12 47.63 36.91 17.74 2 0 12.82-999 ?-999 ?-999 ? O3 PG4 A 131 mGLU~A 68 50.13 35.72 16.09 50.42 36.64 16.31 51.28 33.73 15.31 50.93 32.64 14.88 50.54 34.99 14.89 51.44 35.87 14.03 2 0 13.12-999 ?-999 ?-999 ? O3 PG4 A 131 mGLU~A 69 52.26 33.88 16.19 52.41 34.83 16.46 52.18 31.74 17.44 52.49 30.55 17.44 53.04 32.76 16.70 54.11 33.26 17.67 2 0 15.36-999 ?-999 ?-999 ? O1 PG4 A 130 mLEU~A 70 51.13 32.22 18.10 50.98 33.20 17.99 49.17 30.65 18.11 48.51 29.74 18.63 50.27 31.36 18.91 49.64 32.19 20.05 3 0 12.42-999 ?-999 ?-999 ? O1 PG4 A 130 mGLY~A 71 48.98 31.07 16.86 49.60 31.79 16.56 46.54 31.01 16.35 45.56 30.33 16.06 47.93 30.50 16.03-999.99-999.99-999.99 1 0 9.84-999 ?-999 ?-999 ? O1 PG4 A 130 mLEU~A 72 46.47 32.20 16.95 47.36 32.63 17.13 44.80 33.83 16.27 45.62 34.63 15.83 45.21 32.82 17.32 45.34 33.57 18.66 3 0 9.25-999 ?-999 ?-999 ? O1 PG4 A 131 mSER~A 73 43.53 33.82 15.89 42.99 33.05 16.24 42.74 36.12 15.82 42.68 36.12 17.06 42.99 34.85 15.03 41.67 34.39 14.42 2 0 6.10-999 ?-999 ?-999 ? O3 PG4 A 131 mASP~A 74 42.53 37.21 15.09 42.68 37.11 14.11 40.83 38.21 16.54 40.72 38.73 17.64 42.11 38.44 15.73 41.88 39.55 14.70 2 0 7.07-999 ?-999 ?-999 ? O3 PG4 A 131 mASP~A 75 39.88 37.43 16.01 40.08 37.06 15.11 38.96 36.45 18.07 38.41 36.80 19.10 38.65 37.16 16.76 37.61 36.34 15.99 2 0 5.36-999 ?-999 ?-999 ? C3 PG4 A 131s mASP~A 76 39.84 35.44 18.03 40.17 35.22 17.11 40.79 35.74 20.28 40.50 35.61 21.48 40.26 34.76 19.25 41.33 33.70 18.96 2 0 5.93-999 ?-999 ?-999 ? O1 PG4 A 131 mCYH~A 77 41.56 36.74 19.83 41.72 36.75 18.85 41.01 38.61 21.31 41.01 38.98 22.48 42.11 37.71 20.78 43.25 38.53 20.17 2 0 9.58-999 ?-999 ?-999 ? O1 PG4 A 131 mSER~A 78 40.05 38.95 20.45 40.21 38.65 19.51 37.97 38.93 21.85 37.34 39.54 22.71 38.88 39.70 20.88 38.08 40.17 19.67 2 0 -9.58-999 ?-999 ?-999 ? O1 PG4 A 131s mLYS~A 79 37.92 37.60 21.71 38.40 37.25 20.90 37.70 37.05 24.10 36.90 37.24 25.02 37.20 36.75 22.67 37.40 35.26 22.36 2 0 7.89-999 ?-999 ?-999 ? O2 PG4 A 132s mLEU~A 80 39.02 37.11 24.27 39.54 36.98 23.43 39.34 38.74 26.12 39.01 38.89 27.30 39.63 37.34 25.59 41.14 37.11 25.54 3 0 11.41-999 ?-999 ?-999 ? O1 PG4 A 131 mSER~A 81 39.46 39.75 25.25 39.71 39.47 24.33 37.79 41.28 26.11 37.51 41.78 27.21 39.23 41.15 25.66 39.47 42.12 24.50 2 0 -12.06-999 ?-999 ?-999 ? O2 PG4 A 132s mARG~A 82 36.87 40.75 25.30 37.23 40.28 24.49 35.06 40.11 26.86 34.27 40.61 27.63 35.46 40.88 25.61 34.56 40.43 24.48 2 0 9.29-999 ?-999 ?-999 ? O2 PG4 A 132s mALA~A 83 35.58 38.89 27.02 36.15 38.58 26.26 35.81 38.83 29.48 35.16 38.80 30.51 35.31 38.10 28.23 35.94 36.70 28.12 2 0 10.26-999 ?-999 ?-999 ? O2 PG4 A 132 mPHE~A 84 36.95 39.51 29.39 37.43 39.42 28.51 36.49 41.43 30.86 36.14 41.63 32.03 37.44 40.29 30.52 38.83 40.84 30.28 3 0 9.62-999 ?-999 ?-999 ? O2 SO4 A 126 mASP~A 85 36.07 42.18 29.85 36.44 41.91 28.96 33.82 42.83 30.67 33.27 43.51 31.55 35.15 43.29 30.06 34.92 44.08 28.75 2 0 -10.83-999 ?-999 ?-999 ? O2 SO4 A 126s mLEU~A 86 33.33 41.67 30.24 33.88 41.23 29.54 32.25 40.53 32.17 31.32 40.57 32.99 32.09 41.13 30.77 31.56 40.05 29.84 3 0 11.84-999 ?-999 ?-999 ? O2 SO4 A 126 mARG~A 87 33.41 39.95 32.43 34.02 39.85 31.65 33.78 40.71 34.74 33.35 40.61 35.89 33.73 39.52 33.78 35.03 38.75 33.77 2 0 -8.80-999 ?-999 ?-999 ? O2 SO4 A 126s mGLU~A 88 34.29 41.85 34.26 34.62 41.82 33.32 32.95 43.49 35.48 32.69 43.83 36.65 34.35 43.05 35.10 35.13 44.18 34.44 2 0 7.27-999 ?-999 ?-999 ? O2 SO4 A 126 mGLU~A 89 32.03 43.47 34.51 32.39 43.23 33.61 29.98 42.72 35.73 29.27 43.09 36.66 30.63 43.76 34.79 29.81 43.89 33.51 2 0 10.61-999 ?-999 ?-999 ? O2 SO4 A 126 mSER~A 90 30.22 41.42 35.48 30.81 41.25 34.70 30.09 40.49 37.77 29.27 40.42 38.68 29.64 40.37 36.32 29.99 38.97 35.78 2 0 10.83-999 ?-999 ?-999 ? O2 SO4 A 126 mASP~A 91 31.39 40.70 37.99 31.92 40.84 37.15 31.90 42.10 40.04 31.70 42.13 41.26 31.95 40.72 39.34 33.39 40.17 39.33 2 0 7.94-999 ?-999 ?-999 ? O2 SO4 A 126 mTYR~A 92 32.04 43.19 39.29 32.03 43.01 38.31 31.09 45.51 39.50 30.95 46.53 40.17 32.20 44.53 39.85 33.55 45.15 39.45 3 0 -8.10-999 ?-999 ?-999 ? O2 SO4 A 126s mGLY~A 93 30.28 45.20 38.50 30.51 44.35 38.03 27.97 45.88 39.04 27.78 44.81 39.61 29.16 46.06 38.12-999.99-999.99-999.99 1 0 11.59-999 ?-999 ?-999 ? O2 SO4 A 126 mILE~A 94 27.17 46.93 39.19 27.42 47.73 38.64 24.70 47.26 39.46 23.66 47.12 40.09 26.03 46.87 40.11 26.28 47.69 41.38 3 0 14.70-999 ?-999 ?-999 ? O2 SO4 A 126 mTYR~A 95 24.74 47.71 38.21 25.65 47.73 37.81 23.03 47.04 36.55 21.89 46.57 36.66 23.52 48.13 37.50 23.78 49.44 36.72 3 0 17.62-999 ?-999 ?-999 ? O2 SO4 A 126 mLYS~A 96 23.88 46.63 35.61 24.80 47.01 35.70 23.45 44.27 35.07 24.31 43.87 35.86 23.47 45.71 34.56 24.41 45.79 33.35 2 0 17.59-999 ?-999 ?-999 ? O2 SO4 A 126 mGLU~A 97 22.45 43.51 34.62 21.72 44.02 34.17 22.79 41.42 33.44 22.52 41.98 32.37 22.45 42.06 34.78 21.11 41.54 35.30 2 0 17.05-999 ?-999 ?-999 ? C6 PG4 A 132 mVAL~A 98 23.40 40.24 33.51 23.50 39.90 34.45 22.79 38.53 31.92 22.26 37.78 32.74 23.86 39.52 32.34 25.17 38.79 32.63 3 0 13.38-999 ?-999 ?-999 ? C6 PG4 A 132 mSER~A 99 22.47 38.53 30.63 23.00 39.18 30.07 21.97 36.25 29.83 23.18 36.04 29.77 21.43 37.66 30.09 20.90 38.23 28.79 2 0 10.88-999 ?-999 ?-999 ? C8 PG4 A 132 mLYS~A 100 21.05 35.31 29.67 20.12 35.62 29.87 22.17 33.99 27.94 23.13 33.25 27.77 21.37 33.96 29.25 20.08 33.17 29.06 2 0 8.43-999 ?-999 ?-999 ? C8 PG4 A 132 mASP~A 101 21.75 34.86 27.03 20.99 35.42 27.37 23.78 35.42 25.72 24.62 34.90 24.97 22.32 35.01 25.68 21.49 36.05 24.90 2 0 -5.71-999 ?-999 ?-999 ? C8 PG4 A 132s mLEU~A 102 24.09 36.40 26.57 23.30 36.79 27.05 26.34 35.75 27.34 27.46 35.53 26.89 25.48 36.85 26.75 25.58 38.07 27.67 3 0 7.12-999 ?-999 ?-999 ? C6 PG4 A 132 mALA~A 103 25.81 35.07 28.35 24.86 35.30 28.57 26.93 32.93 28.15 28.05 32.40 28.19 26.59 34.08 29.07 25.84 33.58 30.30 2 0 7.86-999 ?-999 ?-999 ? C6 PG4 A 132 mILE~A 104 25.98 32.51 27.33 25.11 33.00 27.40 27.33 31.80 25.39 28.18 30.98 25.04 26.25 31.41 26.40 24.97 30.88 25.73 3 0 -5.03-999 ?-999 ?-999 ? C6 PG4 A 132s mLYS~A 105 27.31 33.06 24.95 26.55 33.60 25.30 29.72 33.46 24.64 30.66 33.01 23.99 28.33 33.57 24.03 28.11 35.05 23.68 2 0 -3.48-999 ?-999 ?-999 ? C6 PG4 A 132s mILE~A 106 29.85 33.89 25.90 29.02 34.21 26.33 31.58 32.44 26.81 32.76 32.09 26.70 31.17 33.87 26.54 31.20 34.72 27.83 3 0 6.64-999 ?-999 ?-999 ? O3 PG4 A 132 mLEU~A 107 30.64 31.60 27.17 29.72 32.00 27.24 31.53 29.51 26.19 32.53 28.77 26.25 30.96 30.21 27.43 29.72 29.50 27.92 3 0 -7.76-999 ?-999 ?-999 ? C6 PG4 A 132s mLYS~A 108 30.90 29.74 25.05 30.11 30.35 25.13 32.70 29.68 23.37 33.57 28.94 22.92 31.34 29.13 23.81 30.28 29.33 22.74 2 0 -5.96-999 ?-999 ?-999 ? C5 PG4 A 132s mASP~A 109 32.91 30.98 23.57 32.09 31.48 23.86 35.29 30.96 24.24 36.40 30.72 23.75 34.21 31.60 23.37 34.17 33.08 23.66 2 0 -6.60-999 ?-999 ?-999 ? O3 PG4 A 132s mALA~A 110 34.99 30.70 25.52 34.06 30.97 25.78 36.32 28.65 25.91 37.49 28.25 25.93 35.96 30.05 26.42 35.42 29.98 27.89 2 0 8.21-999 ?-999 ?-999 ? C3 PG4 A 130 mGLU~A 111 35.32 27.89 25.48 34.41 28.30 25.53 36.53 26.61 23.78 37.43 25.80 23.68 35.58 26.55 24.96 34.31 25.88 24.46 2 0 5.02-999 ?-999 ?-999 ? C3 PG4 A 130s mILE~A 112 36.31 27.56 22.87 35.54 28.15 23.09 38.54 28.19 22.03 39.54 27.64 21.56 37.14 27.70 21.66 36.49 28.68 20.65 3 0 -3.60-999 ?-999 ?-999 ? C3 PG4 A 130s mPHE~A 113 38.60 29.20 22.90 37.71 29.51 23.24 40.72 28.79 24.07 41.92 28.65 23.78 39.86 29.80 23.31 39.63 31.07 24.14 3 0 6.92-999 ?-999 ?-999 ? C3 PG4 A 130 mVAL~A 114 40.12 28.04 24.99 39.14 28.19 25.09 41.42 25.92 24.85 42.55 25.45 24.99 40.90 27.06 25.75 40.13 26.52 26.92 3 0 7.24-999 ?-999 ?-999 ? C3 PG4 A 130 mGLN~A 115 40.60 25.46 23.91 39.68 25.87 23.93 42.22 24.96 22.14 43.22 24.25 21.96 41.06 24.44 22.96 39.92 24.00 22.03 2 0 -5.02-999 ?-999 ?-999 ? C3 PG4 A 130s mLYS~A 116 42.12 26.18 21.64 41.26 26.65 21.83 44.49 26.91 21.67 45.59 26.75 21.13 43.22 26.75 20.87 42.81 28.07 20.21 2 0 5.47-999 ?-999 ?-999 ? C1 PG4 A 130 mALA~A 117 44.36 27.19 22.96 43.41 27.32 23.26 46.16 25.93 24.00 47.38 25.81 23.93 45.51 27.30 23.84 45.07 27.86 25.20 2 0 9.09-999 ?-999 ?-999 ? C1 PG4 A 130 mLYS~A 118 45.34 24.91 24.19 44.37 25.17 24.25 46.60 23.14 23.04 47.69 22.54 23.10 45.83 23.54 24.31 44.67 22.60 24.57 2 0 9.25-999 ?-999 ?-999 ? C1 PG4 A 130 mASN~A 119 46.05 23.49 21.89 45.16 23.94 21.97 48.13 23.88 20.61 49.14 23.23 20.31 46.74 23.22 20.63 45.90 23.70 19.44 2 0 -8.13-999 ?-999 ?-999 ? C1 PG4 A 130s mALA~A 120 48.18 25.16 20.98 47.31 25.53 21.31 50.51 25.42 21.80 51.68 25.51 21.44 49.40 25.95 20.91 49.12 27.41 21.28 2 0 10.64-999 ?-999 ?-999 ? O1 PG4 A 130 mVAL~A 121 50.16 24.89 22.97 49.17 24.84 23.11 51.30 22.91 23.94 51.87 22.34 24.87 51.17 24.43 23.93 50.87 24.93 25.35 3 0 11.23-999 ?-999 ?-999 ? O1 PG4 A 129 mASN~A 122 50.76 22.27 22.90 50.31 22.88 22.25 50.22 20.06 23.90 50.79 19.07 24.33 50.82 20.83 22.73 52.27 20.36 22.49 2 0 10.05-999 ?-999 ?-999 ? O1 PG4 A 129 mLYS~A 123 49.08 20.53 24.41 48.76 21.38 24.00 47.04 19.33 25.01 46.17 19.03 25.82 48.39 19.84 25.49 48.24 20.76 26.70 2 0 -7.75-999 ?-999 ?-999 ? C1 PG4 A 129s mASN~A 124 46.85 19.23 23.70 47.60 19.54 23.12 45.69 17.14 23.14 44.93 16.50 22.42 45.60 18.67 23.20 45.21 19.28 21.83 2 0 8.01-999 ?-999 ?-999 ? O2 SO4 A 128 mARG~A 125 46.54 16.59 24.01 46.80 17.24 24.73 46.14 14.25 24.71 45.74 14.55 25.82 47.04 15.23 23.97 48.41 15.15 24.68 2 0 -8.15-999 ?-999 ?-999 ? O1 SO4 A 128s