HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-DEC-08 3FLJ COMPND UNCHARACTERIZED PROTEIN CONSERVED IN BACTERIA WITH COMPND 3 CYSTATIN-LIKE FOLD; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; SOURCE 3 ORGANISM_TAXID: 246200; SOURCE 4 GENE: SPO3393, YP_168589.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 8 8 HET MSE A 31 13 HET MSE A 65 8 HET MSE A 105 8 HET MSE A 118 8 HET MSE A 123 13 HET UNL A 137 4 SITE 1 AC1 3 VAL A 12 PHE A 59 ASP A 88 mLEU.A -4 66.49 50.63 10.46 65.65 50.64 10.99 67.70 49.41 8.70 66.72 49.30 7.94 67.76 50.62 9.67 68.97 50.63 10.62 3 0 27.14-999 ?-999 ?-999 ? O1 UNL A 137 mTYR.A -3 68.68 48.48 8.74 69.37 48.66 9.44 67.56 46.34 8.01 67.20 45.67 7.04 68.73 47.32 7.83 70.06 46.54 7.95 3 0 24.34-999 ?-999 ?-999 ? O1 UNL A 137 mPHE.A -2 66.96 46.30 9.21 67.34 46.97 9.85 64.44 45.94 9.60 63.54 45.29 10.15 65.87 45.36 9.55 66.24 44.67 10.88 3 0 21.64-999 ?-999 ?-999 ? O1 UNL A 137 mGLN.A -1 64.23 47.12 8.98 65.05 47.49 8.55 61.81 46.88 8.39 60.74 46.76 8.97 62.91 47.79 8.95 62.97 49.12 8.16 2 0 23.82-999 ?-999 ?-999 ? O1 UNL A 137 mGLY.A 0 62.12 46.19 7.29 63.03 46.39 6.93 60.96 43.88 7.34 60.14 43.10 6.85 61.20 45.23 6.66-999.99-999.99-999.99 1 0 21.63-999 ?-999 ?-999 ? O1 UNL A 137 mMETA 1 61.67 43.59 8.44 62.30 44.32 8.70 60.35 42.37 10.14 60.31 43.25 10.99 61.54 42.33 9.17 62.81 42.08 10.01 2 0 18.36-999 ?-999 ?-999 ? O1 UNL A 137 mHIS~A 2 59.46 41.38 10.06 59.61 40.76 9.30 58.94 40.67 12.35 59.71 39.71 12.28 58.35 41.26 11.03 57.22 40.36 10.50 3 0 17.63-999 ?-999 ?-999 ? O1 UNL A 137 mPRO~A 3 58.61 41.23 13.54 57.98 42.00 13.47 58.97 39.25 15.14 59.87 38.64 15.71 59.13 40.74 14.84 58.33 41.54 15.86 3 0 17.39-999 ?-999 ?-999 ? O1 UNL A 137 mTHR~A 4 57.80 38.69 14.80 57.14 39.36 14.45 58.49 36.38 14.12 58.90 35.32 14.59 57.53 37.25 14.93 56.08 36.90 14.53 2 0 14.54-999 ?-999 ?-999 ? O1 UNL A 137 mILE~A 5 58.84 36.85 12.92 58.39 37.72 12.69 61.20 36.21 12.65 61.90 35.19 12.63 59.79 36.16 12.03 59.75 36.72 10.58 3 0 12.38-999 ?-999 ?-999 ? O1 UNL A 137 mALA~A 6 61.60 37.36 13.20 60.95 38.11 13.07 62.95 36.55 15.14 63.94 35.81 15.30 62.89 37.50 13.92 63.13 38.96 14.36 2 0 13.76-999 ?-999 ?-999 ? O1 UNL A 137 mARG~A 7 61.88 36.56 15.95 61.17 37.20 15.66 61.79 34.20 16.82 62.43 33.40 17.51 61.76 35.70 17.16 60.50 36.04 17.99 2 0 13.17-999 ?-999 ?-999 ? O1 UNL A 137 mMETA 8 61.09 33.83 15.76 60.62 34.60 15.32 62.37 31.82 14.93 62.57 30.64 15.20 61.00 32.45 15.27 60.09 32.44 14.03 2 0 9.49-999 ?-999 ?-999 ? O1 UNL A 137 mGLN~A 9 63.28 32.61 14.34 62.96 33.55 14.20 65.42 31.63 15.13 65.91 30.50 15.11 64.62 32.13 13.94 65.42 33.22 13.23 2 0 8.90-999 ?-999 ?-999 ? O1 UNL A 137 mGLU~A 10 65.50 32.47 16.15 65.06 33.35 15.98 65.57 30.97 18.24 66.32 30.31 18.96 66.19 32.12 17.41 66.47 33.39 18.26 2 0 10.83-999 ?-999 ?-999 ? O3 UNL A 137 mVAL~A 11 64.26 30.69 18.07 63.86 31.24 17.34 63.25 28.34 18.18 63.36 27.30 18.84 63.50 29.70 18.87 62.14 30.34 19.32 3 0 9.12-999 ?-999 ?-999 ? O3 UNL A 137 mVAL~A 12 62.84 28.36 16.90 62.76 29.29 16.54 63.77 26.20 15.96 63.63 24.96 16.04 62.54 27.12 16.11 61.89 27.46 14.71 3 0 -5.29-999 ?-999 ?-999 ? O3 UNL A 137s mALA~A 13 64.95 26.82 15.74 64.85 27.81 15.64 66.49 25.23 16.92 66.63 24.00 16.79 66.25 26.12 15.68 67.41 27.14 15.54 2 0 5.76-999 ?-999 ?-999 ? O3 UNL A 137 mLYS.A 14 66.42 25.87 18.10 66.25 26.85 17.99 65.54 24.12 19.75 65.82 23.26 20.59 66.59 25.20 19.42 66.56 26.22 20.58 2 0 8.31-999 ?-999 ?-999 ? O3 UNL A 137 mGLY.A 15 64.36 24.18 19.12 64.30 24.92 18.44 62.71 23.35 20.83 62.29 22.33 21.39 63.25 23.25 19.40-999.99-999.99-999.99 1 0 6.93-999 ?-999 ?-999 ? O3 UNL A 137 mASP~A 16 62.74 24.57 21.41 63.13 25.28 20.84 60.73 25.02 22.61 60.30 26.07 22.12 62.24 24.81 22.78 62.92 26.02 23.45 2 0 10.38-999 ?-999 ?-999 ? O3 UNL A 137 mGLU~A 17 59.96 24.01 23.02 60.49 23.27 23.44 57.77 25.15 23.53 56.87 25.72 22.91 58.50 23.98 22.88 57.99 22.65 23.44 2 0 11.09-999 ?-999 ?-999 ? O3 UNL A 137 mSER~A 18 58.16 25.49 24.76 58.88 24.90 25.11 57.75 27.95 24.78 56.82 28.75 24.74 57.58 26.61 25.51 58.16 26.70 26.94 2 0 14.25-999 ?-999 ?-999 ? O3 UNL A 137 mLEU~A 19 58.93 28.17 24.18 59.58 27.43 24.30 58.49 29.44 22.05 58.13 30.53 21.58 59.20 29.40 23.41 60.71 29.65 23.27 3 0 12.91-999 ?-999 ?-999 ? O3 UNL A 137 mILE~A 20 58.27 28.28 21.43 58.67 27.50 21.91 56.04 28.53 20.35 55.51 29.27 19.52 57.53 28.17 20.16 57.68 26.74 19.51 3 0 10.10-999 ?-999 ?-999 ? O2 UNL A 137 mHIS~A 21 55.42 28.03 21.44 56.05 27.47 21.99 53.50 29.68 21.59 52.47 29.91 20.94 53.99 28.26 21.80 53.70 27.99 23.30 3 0 12.97-999 ?-999 ?-999 ? O2 UNL A 137 mALA~A 22 54.26 30.64 22.15 55.07 30.27 22.60 53.81 32.74 20.72 53.14 33.76 20.57 53.91 32.08 22.11 54.86 32.89 23.02 2 0 15.13-999 ?-999 ?-999 ? O2 UNL A 137 mLEU.A 23 54.48 32.15 19.73 55.00 31.35 20.02 53.31 32.07 17.48 53.09 32.58 16.37 54.45 32.64 18.34 55.79 32.34 17.66 3 0 13.06-999 ?-999 ?-999 ? O2 UNL A 137 mLEU^A 24 52.56 31.09 18.00 52.76 30.90 18.96 50.15 30.87 17.48 49.80 31.14 18.63 51.55 30.37 17.22 51.60 28.87 17.57 3 0 12.84-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 25 49.33 30.97 16.43 49.77 30.79 15.55 47.22 30.14 17.32 47.68 28.97 17.22 47.91 31.31 16.58 47.25 31.56 15.22 2 0 15.94-999 ?-999 ?-999 ? O2 UNL A 137 mGLU^A 26 46.16 30.45 18.06 45.94 31.43 18.05 45.01 28.22 17.97 45.14 27.07 18.41 45.38 29.44 18.83 44.10 30.07 19.45 2 0 18.01-999 ?-999 ?-999 ? O2 UNL A 137 mASP^A 27 44.59 28.49 16.72 44.59 29.47 16.54 45.19 27.33 14.57 44.81 27.08 13.42 44.16 27.50 15.72 42.76 27.88 15.19 2 0 17.61-999 ?-999 ?-999 ? O2 UNL A 137 mVAL^A 28 46.49 27.47 14.90 46.64 27.68 15.87 47.51 25.95 13.20 47.16 24.96 13.83 47.59 27.32 13.92 49.01 27.47 14.57 3 0 14.01-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 29 47.79 25.96 11.90 47.98 26.88 11.56 49.26 24.50 10.69 49.93 25.38 10.14 47.81 24.77 11.05 46.98 25.02 9.80 2 0 13.13-999 ?-999 ?-999 ? O4 UNL A 137 mPHE^A 30 49.77 23.32 11.06 49.12 22.76 11.59 51.03 21.72 9.72 50.36 20.73 10.00 51.13 22.87 10.73 51.92 22.45 11.96 3 0 9.79-999 ?-999 ?-999 ? O2 UNL A 137 mMETA 31 51.70 21.88 8.57 52.20 22.74 8.55 53.17 20.40 7.30 54.01 21.13 6.76 51.72 20.90 7.47 51.23 21.54 6.16 2 0 10.04-999 ?-999 ?-999 ? O4 UNL A 137 mPRO^A 32 53.47 19.14 7.74 52.71 18.60 8.08 55.33 18.26 6.27 54.50 18.07 5.40 54.85 18.67 7.67 54.81 17.44 8.59 3 0 8.35-999 ?-999 ?-999 ? O4 UNL A 137 mPRO^A 33 56.65 18.08 6.07 57.24 18.26 6.86 56.91 16.15 4.46 57.01 15.72 3.30 57.12 17.65 4.74 58.61 17.97 4.80 3 0 9.14-999 ?-999 ?-999 ? O4 UNL A 137 mTHR^A 34 56.61 15.38 5.51 56.50 15.91 6.35 55.08 13.53 4.91 54.99 13.11 3.76 56.45 13.94 5.46 56.69 13.36 6.87 2 0 11.85-999 ?-999 ?-999 ? O4 UNL A 137 mTYR^A 35 54.01 13.72 5.69 54.23 14.17 6.56 51.84 14.51 4.78 52.07 15.63 5.21 52.64 13.33 5.30 51.90 12.76 6.51 3 0 14.24-999 ?-999 ?-999 ? O4 UNL A 137 mTYR^A 36 50.87 14.25 3.88 50.83 13.29 3.62 48.75 15.40 4.33 47.61 15.06 4.02 49.94 15.29 3.36 49.48 14.96 1.93 3 0 15.53-999 ?-999 ?-999 ? O4 UNL A 137 mLYS^A 37 49.07 15.90 5.53 50.03 16.18 5.59 48.38 17.41 7.31 49.32 18.13 6.95 48.14 16.05 6.64 48.35 14.90 7.64 2 0 15.36-999 ?-999 ?-999 ? O4 UNL A 137 mTHR^A 38 47.52 17.74 8.28 46.83 17.03 8.46 47.38 18.74 10.50 46.42 18.05 10.89 47.58 18.99 9.02 46.46 19.97 8.52 2 0 14.20-999 ?-999 ?-999 ? O4 UNL A 137 mTRP^A 39 48.30 19.27 11.32 49.09 19.63 10.83 47.59 20.70 13.08 48.14 21.71 12.62 48.17 19.31 12.77 49.52 19.21 13.48 3 0 13.25-999 ?-999 ?-999 ? O2 UNL A 137 mTHR^A 40 46.50 20.75 13.86 46.20 19.86 14.18 45.81 22.23 15.72 45.50 21.31 16.48 45.81 22.00 14.21 44.37 22.01 13.65 2 0 15.22-999 ?-999 ?-999 ? O2 UNL A 137 mGLY^A 41 46.17 23.44 16.14 46.43 24.05 15.39 47.58 24.16 18.06 48.50 23.41 17.77 46.18 23.85 17.56-999.99-999.99-999.99 1 0 15.67-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 42 47.71 25.24 18.84 46.83 25.71 18.98 49.69 24.62 20.25 50.90 24.43 20.13 48.98 25.71 19.43 48.71 26.93 20.35 2 0 14.20-999 ?-999 ?-999 ? O2 UNL A 137 mASP^A 43 48.93 23.93 21.11 47.96 24.20 21.10 50.09 21.69 21.19 51.28 21.40 21.35 49.49 22.88 21.98 48.50 22.41 23.06 2 0 15.09-999 ?-999 ?-999 ? O2 UNL A 137 mPRO^A 44 49.28 21.01 20.34 48.32 21.27 20.32 50.97 20.38 18.53 51.97 19.65 18.37 49.88 19.94 19.53 48.67 19.31 18.82 3 0 13.66-999 ?-999 ?-999 ? O2 UNL A 137 mVAL^A 45 50.81 21.55 17.90 49.98 22.03 18.16 53.15 22.35 17.58 54.19 21.98 17.02 51.80 22.04 16.92 51.26 23.23 16.08 3 0 10.33-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 46 53.13 23.00 18.74 52.21 23.25 19.04 55.12 22.02 19.87 56.35 21.97 19.77 54.36 23.31 19.50 54.05 24.16 20.75 2 0 9.88-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 47 54.38 20.99 20.29 53.40 21.22 20.37 55.56 18.99 19.39 56.65 18.44 19.50 54.92 19.65 20.60 53.85 18.74 21.21 2 0 10.99-999 ?-999 ?-999 ? O2 UNL A 137 mVAL^A 48 54.88 19.05 18.24 53.99 19.51 18.32 56.68 19.22 16.59 57.68 18.57 16.30 55.40 18.49 16.99 54.34 18.49 15.83 3 0 8.71-999 ?-999 ?-999 ? O2 UNL A 137 mLEU^A 49 56.66 20.56 16.61 55.78 20.94 16.89 59.03 21.13 17.20 60.18 21.14 16.73 57.84 21.38 16.26 57.49 22.87 16.19 3 0 5.48-999 ?-999 ?-999 ? O2 UNL A 137 mGLY^A 50 58.75 20.93 18.49 57.78 21.06 18.71 60.47 19.25 19.09 61.70 19.19 19.13 59.76 20.54 19.49-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? O3 UNL A 137 mHIS^A 51 59.69 18.24 18.66 58.71 18.44 18.71 61.05 17.11 16.88 62.08 16.47 16.75 60.25 16.96 18.17 59.17 15.88 18.00 3 0 8.71-999 ?-999 ?-999 ? O3 UNL A 137 mVAL^A 52 60.57 17.93 15.94 59.69 18.34 16.18 62.68 18.79 14.97 63.69 18.33 14.43 61.31 18.18 14.67 60.52 19.06 13.65 3 0 5.60-999 ?-999 ?-999 ? O3 UNL A 137 mGLY^A 53 62.70 19.80 15.85 61.79 20.07 16.16 64.94 19.52 16.96 66.14 19.68 16.77 63.93 20.47 16.31-999.99-999.99-999.99 1 0 4.94-999 ?-999 ?-999 ? O3 UNL A 137 mGLN^A 54 64.42 18.55 17.71 63.43 18.61 17.80 65.85 16.54 17.31 67.01 16.16 17.48 65.21 17.49 18.34 64.35 16.67 19.31 2 0 8.65-999 ?-999 ?-999 ? O3 UNL A 137 mVAL^A 55 65.07 16.14 16.29 64.14 16.51 16.33 66.68 15.93 14.42 67.72 15.30 14.19 65.55 15.26 15.21 64.40 14.81 14.25 3 0 8.99-999 ?-999 ?-999 ? O3 UNL A 137 mPHE^A 56 66.48 17.19 14.02 65.60 17.57 14.30 68.76 18.24 14.05 68.71 18.46 15.25 67.49 17.92 13.26 66.96 19.26 12.68 3 0 7.40-999 ?-999 ?-999 ? O3 UNL A 137 mSER^A 57 69.89 18.23 13.34 69.75 17.92 12.40 71.82 19.59 12.85 71.42 19.61 11.68 71.19 18.64 13.86 72.09 17.42 14.10 2 0 10.02-999 ?-999 ?-999 ? O3 UNL A 137 mGLU^A 58 72.79 20.38 13.32 72.99 20.23 14.29 72.50 22.32 11.79 72.68 22.66 10.63 73.50 21.37 12.51 74.43 20.67 11.49 2 0 11.26-999 ?-999 ?-999 ? O3 UNL A 137 mPHE^A 59 71.44 22.72 12.50 71.45 22.42 13.46 70.77 24.97 11.83 71.30 25.53 12.79 70.37 23.50 11.91 69.07 23.36 12.71 3 0 -8.01-999 ?-999 ?-999 ? O3 UNL A 137s mARG^A 60 70.49 25.58 10.68 70.19 24.96 9.95 69.79 27.51 9.34 69.68 26.81 8.32 70.61 27.03 10.52 72.07 27.54 10.39 2 0 8.87-999 ?-999 ?-999 ? O1 UNL A 137 mTYR^A 61 69.22 28.71 9.48 69.31 29.10 10.40 69.62 29.94 7.45 70.71 30.28 7.92 68.54 29.37 8.37 67.56 30.44 8.86 3 0 8.62-999 ?-999 ?-999 ? O1 UNL A 137 mARG^A 62 69.32 29.96 6.15 68.43 29.56 5.95 69.66 31.83 4.60 70.37 32.82 4.58 70.21 30.51 5.11 70.38 29.51 3.97 2 0 11.80-999 ?-999 ?-999 ? O1 UNL A 137 mARG^A 63 68.38 31.82 4.18 67.94 30.92 4.26 66.32 33.21 4.27 65.59 32.24 4.44 67.71 33.01 3.66 67.62 32.97 2.14 2 0 12.78-999 ?-999 ?-999 ? O1 UNL A 137 mILE^A 64 66.00 34.46 4.62 66.75 35.10 4.45 64.12 35.76 4.08 64.60 36.87 3.87 64.71 34.88 5.18 64.86 35.68 6.52 3 0 12.52-999 ?-999 ?-999 ? O1 UNL A 137 mMETA 65 63.09 35.28 3.38 62.77 34.40 3.72 61.01 36.25 2.46 60.31 35.37 2.94 62.49 36.00 2.24 62.71 35.17 0.97 2 0 14.80-999 ?-999 ?-999 ? O1 UNL A 137 mGLY^A 66 60.55 37.45 2.11 61.25 38.07 1.75 58.93 39.24 2.71 59.86 40.05 2.72 59.15 37.82 2.25-999.99-999.99-999.99 1 0 16.37-999 ?-999 ?-999 ? O4 UNL A 137 mGLU^A 67 57.68 39.51 3.08 57.07 38.72 3.02 55.85 40.72 4.14 55.06 39.87 3.69 57.24 40.84 3.54 57.21 41.82 2.34 2 0 18.79-999 ?-999 ?-999 ? O4 UNL A 137 mGLY^A 68 55.57 41.57 5.13 56.34 42.15 5.39 53.86 40.37 6.47 54.42 40.03 7.51 54.27 41.65 5.77-999.99-999.99-999.99 1 0 19.65-999 ?-999 ?-999 ? O4 UNL A 137 mLYS^A 69 52.89 39.66 5.89 52.57 40.06 5.04 52.80 37.14 5.76 52.53 36.07 6.29 52.35 38.42 6.46 50.82 38.51 6.50 2 0 17.44-999 ?-999 ?-999 ? O4 UNL A 137 mASP^A 70 53.56 37.25 4.66 53.82 38.20 4.47 55.47 35.96 3.84 56.17 36.87 3.40 53.96 36.12 3.81 53.50 36.41 2.38 2 0 15.65-999 ?-999 ?-999 ? O4 UNL A 137 mTRP^A 71 55.96 34.83 4.36 55.25 34.18 4.64 57.83 33.14 4.11 57.04 32.21 4.23 57.41 34.56 4.50 57.85 34.82 5.95 3 0 12.82-999 ?-999 ?-999 ? O4 UNL A 137 mALA^A 72 59.08 33.02 3.64 59.54 33.90 3.55 61.09 31.76 3.94 61.93 32.59 3.57 59.71 31.74 3.28 59.82 31.61 1.77 2 0 10.79-999 ?-999 ?-999 ? O4 UNL A 137 mLEU^A 73 61.29 30.92 4.96 60.49 30.36 5.18 63.28 29.54 5.24 62.89 28.42 5.62 62.56 30.82 5.69 62.37 30.83 7.20 3 0 8.59-999 ?-999 ?-999 ? O1 UNL A 137 mGLU^A 74 64.32 29.73 4.43 64.49 30.69 4.23 66.15 28.20 4.94 66.84 29.05 5.49 65.13 28.64 3.90 65.83 29.11 2.63 2 0 8.91-999 ?-999 ?-999 ? O1 UNL A 137 mPHE^A 75 66.26 26.89 5.16 65.62 26.34 4.62 67.98 25.11 5.55 67.57 24.53 4.55 67.22 26.31 6.11 66.51 25.92 7.41 3 0 7.31-999 ?-999 ?-999 ? O1 UNL A 137 mGLN^A 76 69.09 24.80 6.22 69.33 25.48 6.91 70.12 22.92 7.33 70.24 23.59 8.37 69.89 23.60 5.97 71.21 23.94 5.30 2 0 9.15-999 ?-999 ?-999 ? O1 UNL A 137 mCYH^A 77 70.14 21.59 7.32 70.00 21.20 6.41 70.75 19.36 8.12 71.00 19.08 6.93 70.37 20.78 8.52 69.11 20.80 9.42 2 0 9.10-999 ?-999 ?-999 ? O1 UNL A 137 mLYS^A 78 70.89 18.49 9.12 70.85 18.91 10.03 70.05 16.26 9.73 69.54 16.75 10.75 71.07 17.06 8.91 72.50 16.61 9.26 2 0 11.25-999 ?-999 ?-999 ? O3 UNL A 137 mVAL^A 79 69.72 15.07 9.22 70.08 14.93 8.30 69.92 12.90 10.01 70.15 12.19 9.01 68.92 14.06 9.92 67.63 13.68 9.18 3 0 11.56-999 ?-999 ?-999 ? O3 UNL A 137 mGLY^A 80 70.57 12.78 11.17 70.25 13.40 11.89 72.83 12.27 10.52 73.26 13.43 10.62 71.65 11.82 11.38-999.99-999.99-999.99 1 0 14.74-999 ?-999 ?-999 ? O3 UNL A 137 mGLU^A 81 73.31 11.37 9.67 72.87 10.48 9.74 73.90 12.23 7.36 74.74 12.63 6.54 74.39 11.68 8.71 75.27 10.43 8.48 2 0 17.09-999 ?-999 ?-999 ? O3 UNL A 137 mLEU^A 82 72.58 12.29 7.14 72.03 12.02 7.92 71.74 14.22 5.86 71.13 14.73 6.79 72.00 12.72 5.87 70.68 11.99 5.61 3 0 15.72-999 ?-999 ?-999 ? O3 UNL A 137 mASP^A 83 72.15 14.89 4.78 72.61 14.31 4.10 70.53 16.63 4.15 69.91 15.82 3.44 71.95 16.33 4.60 72.92 16.89 3.54 2 0 13.96-999 ?-999 ?-999 ? O1 UNL A 137 mALA^A 84 70.03 17.80 4.56 70.64 18.31 5.16 68.70 19.81 3.95 69.46 20.52 4.62 68.71 18.29 4.15 67.63 17.92 5.18 2 0 11.04-999 ?-999 ?-999 ? O1 UNL A 137 mVAL^A 85 67.89 20.26 3.00 67.51 19.52 2.44 66.02 21.76 2.78 65.35 20.88 2.23 67.56 21.67 2.77 68.15 22.21 1.45 3 0 10.07-999 ?-999 ?-999 ? O1 UNL A 137 mGLY^A 86 65.49 22.80 3.40 66.15 23.41 3.83 63.65 24.47 3.51 64.51 25.35 3.53 64.05 23.02 3.44-999.99-999.99-999.99 1 0 7.70-999 ?-999 ?-999 ? O4 UNL A 137 mVAL^A 87 62.33 24.69 3.46 61.81 23.85 3.30 60.50 25.92 4.57 59.66 25.04 4.40 61.70 26.01 3.61 61.21 26.61 2.26 3 0 7.23-999 ?-999 ?-999 ? O4 UNL A 137 mASP^A 88 60.46 26.83 5.55 61.31 27.35 5.64 58.45 28.10 5.73 58.88 29.26 5.65 59.29 27.03 6.42 59.70 27.51 7.83 2 0 -5.42-999 ?-999 ?-999 ? O4 UNL A 137s mLEU^A 89 57.28 27.72 5.21 57.11 26.74 5.32 55.41 29.15 5.63 54.59 28.38 6.15 56.35 28.65 4.55 55.58 27.97 3.42 3 0 8.90-999 ?-999 ?-999 ? O4 UNL A 137 mILE^A 90 55.53 30.44 5.96 56.17 30.94 5.38 53.79 32.09 6.56 54.15 32.93 5.74 54.78 31.06 7.06 55.75 31.74 8.07 3 0 10.11-999 ?-999 ?-999 ? O4 UNL A 137 mTHR^A 91 52.56 32.00 7.07 52.42 31.18 7.63 51.12 33.50 8.25 50.73 32.71 9.12 51.50 32.99 6.86 50.26 32.41 6.17 2 0 13.65-999 ?-999 ?-999 ? O4 UNL A 137 mLEU^A 92 51.28 34.81 8.46 51.66 35.31 7.68 49.49 35.97 9.66 48.99 36.28 8.57 50.92 35.46 9.73 51.88 36.61 10.07 3 0 15.40-999 ?-999 ?-999 ? O4 UNL A 137 mASN^A 93 48.82 36.03 10.81 49.35 35.65 11.57 47.55 38.10 11.27 48.68 38.60 11.43 47.45 36.60 10.93 46.57 35.78 11.91 2 0 18.60-999 ?-999 ?-999 ? O4 UNL A 137 mGLU^A 94 46.40 38.79 11.40 45.58 38.24 11.27 47.08 40.55 13.06 47.67 41.61 13.19 46.40 40.24 11.71 45.00 40.88 11.60 2 0 21.99-999 ?-999 ?-999 ? O4 UNL A 137 mGLY^A 95 47.01 39.63 14.02 46.45 38.84 13.78 49.21 39.47 15.29 49.85 39.56 16.34 47.70 39.76 15.31-999.99-999.99-999.99 1 0 21.32-999 ?-999 ?-999 ? O4 UNL A 137 mGLY^A 96 49.77 39.11 14.14 49.13 39.05 13.37 51.67 37.44 14.39 52.85 37.19 14.34 51.20 38.83 13.99-999.99-999.99-999.99 1 0 18.29-999 ?-999 ?-999 ? O4 UNL A 137 mLEU^A 97 50.74 36.54 14.77 49.81 36.91 14.75 51.05 34.26 13.93 50.43 34.60 12.91 51.07 35.17 15.16 50.08 34.66 16.22 3 0 15.79-999 ?-999 ?-999 ? O2 UNL A 137 mILE^A 98 51.73 33.12 14.04 52.16 32.98 14.93 50.49 31.42 12.81 50.08 30.70 13.72 51.83 32.15 12.95 52.99 31.13 13.18 3 0 12.61-999 ?-999 ?-999 ? O4 UNL A 137 mGLN^A 99 49.82 31.63 11.66 50.30 32.24 11.03 48.69 29.73 10.55 48.01 28.75 10.84 48.52 31.03 11.35 47.64 32.01 10.57 2 0 14.39-999 ?-999 ?-999 ? O4 UNL A 137 mASP^A 100 49.55 29.75 9.53 49.94 30.66 9.38 51.40 28.41 8.67 52.10 29.40 8.45 49.89 28.57 8.70 49.38 28.72 7.28 2 0 12.14-999 ?-999 ?-999 ? O4 UNL A 137 mPHE^A 101 51.86 27.18 8.87 51.12 26.51 8.97 53.37 25.51 8.10 52.96 24.44 8.57 53.28 26.81 8.93 53.64 26.59 10.41 3 0 8.34-999 ?-999 ?-999 ? O4 UNL A 137 mGLU^A 102 53.86 25.63 6.87 54.16 26.55 6.65 55.44 24.28 5.59 56.13 25.22 5.20 53.97 24.51 5.92 53.16 24.85 4.68 2 0 8.29-999 ?-999 ?-999 ? O4 UNL A 137 mVAL^A 103 55.91 23.03 5.74 55.22 22.36 5.99 57.53 21.85 4.28 56.88 20.82 4.11 57.33 22.69 5.54 57.92 21.98 6.76 3 0 6.14-999 ?-999 ?-999 ? O4 UNL A 137 mVAL^A 104 58.43 22.31 3.40 58.79 23.20 3.68 60.35 21.32 2.32 61.06 22.12 2.93 58.84 21.60 2.17 58.50 22.40 0.87 3 0 8.77-999 ?-999 ?-999 ? O4 UNL A 137 mMETA 105 60.81 20.18 1.81 60.12 19.65 1.32 62.76 18.96 0.77 62.01 18.54 -0.13 62.21 19.75 1.95 62.35 18.84 3.19 2 0 9.46-999 ?-999 ?-999 ? O4 UNL A 137 mARG^A 106 64.09 18.80 0.81 64.51 19.35 1.54 66.06 17.38 0.72 66.45 17.99 1.72 64.87 17.94 -0.09 65.38 18.72 -1.31 2 0 12.65-999 ?-999 ?-999 ? O4 UNL A 137 mPRO^A 107 66.63 16.22 0.32 67.44 16.04 0.87 65.25 14.24 -0.18 65.07 14.14 1.05 66.25 15.28 -0.73 67.58 14.62 -1.07 3 0 14.99-999 ?-999 ?-999 ? O4 UNL A 137 mTYR^A 108 64.63 13.48 -1.08 64.91 13.71 -2.01 64.10 11.47 0.40 63.37 11.31 1.38 63.65 12.41 -0.74 63.31 11.61 -2.02 3 0 16.15-999 ?-999 ?-999 ? O4 UNL A 137 mLYS^A 109 65.31 10.93 0.28 65.80 11.23 -0.54 65.96 10.53 2.71 65.67 9.81 3.68 65.88 9.97 1.27 67.25 9.47 0.80 2 0 17.27-999 ?-999 ?-999 ? O4 UNL A 137 mTHR^A 110 66.34 11.81 2.84 66.55 12.25 1.97 65.04 12.73 4.75 64.88 12.62 5.97 66.44 12.49 4.15 67.25 13.79 4.08 2 0 14.03-999 ?-999 ?-999 ? O4 UNL A 137 mVAL^A 111 64.07 13.08 3.90 64.38 13.22 2.96 62.13 11.88 4.87 61.43 11.86 5.87 62.66 13.23 4.33 61.75 13.84 3.23 3 0 12.28-999 ?-999 ?-999 ? O4 UNL A 137 mGLY^A 112 62.47 10.77 4.20 62.97 10.97 3.36 62.70 9.11 6.05 62.00 8.57 6.92 62.14 9.40 4.67-999.99-999.99-999.99 1 0 15.50-999 ?-999 ?-999 ? O4 UNL A 137 mALA^A 113 63.97 9.50 6.26 64.40 9.87 5.45 63.94 10.25 8.64 63.76 9.77 9.76 64.65 9.40 7.56 66.13 9.78 7.44 2 0 14.87-999 ?-999 ?-999 ? O3 UNL A 137 mLEU^A 114 63.56 11.48 8.30 63.85 11.75 7.38 61.43 11.71 9.56 61.08 11.70 10.74 62.77 12.36 9.19 62.51 13.76 8.58 3 0 11.34-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 115 60.71 11.18 8.57 61.14 11.29 7.67 59.55 9.33 9.76 58.73 9.23 10.67 59.42 10.49 8.76 58.85 9.96 7.44 2 0 13.16-999 ?-999 ?-999 ? O2 UNL A 137 mASP^A 116 60.58 8.51 9.58 61.15 8.73 8.79 61.17 7.85 11.92 60.58 7.33 12.87 60.85 7.38 10.49 61.97 6.48 9.95 2 0 15.85-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 117 62.04 8.86 12.05 62.42 9.18 11.18 61.17 10.06 14.08 61.00 9.87 15.29 62.38 9.45 13.36 63.51 10.48 13.24 2 0 13.81-999 ?-999 ?-999 ? O3 UNL A 137 mMETA 118 60.32 10.76 13.32 60.59 10.80 12.36 58.01 10.40 14.24 57.32 10.62 15.24 59.09 11.40 13.85 58.53 12.47 12.89 2 0 12.03-999 ?-999 ?-999 ? O2 UNL A 137 mASN^A 119 57.85 9.32 13.46 58.39 9.33 12.62 57.31 7.67 15.22 56.44 7.51 16.07 56.93 8.23 13.83 56.93 7.07 12.82 2 0 15.54-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 120 58.61 7.42 15.43 59.19 7.61 14.64 58.88 7.87 17.89 58.39 7.45 18.94 59.13 6.91 16.71 60.62 6.57 16.59 2 0 17.00-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 121 59.18 9.15 17.70 59.55 9.33 16.78 57.54 10.44 19.14 57.22 10.50 20.33 58.99 10.20 18.74 59.61 11.52 18.30 2 0 14.71-999 ?-999 ?-999 ? O2 UNL A 137 mVAL^A 122 56.67 10.59 18.13 57.09 10.50 17.23 54.55 9.67 19.04 53.78 9.88 19.98 55.24 10.85 18.36 54.52 11.27 17.04 3 0 14.93-999 ?-999 ?-999 ? O2 UNL A 137 mMETA 123 54.85 8.46 18.57 55.49 8.44 17.81 54.75 7.06 20.62 53.96 6.63 21.46 54.27 7.27 19.16 54.62 6.08 18.30 2 0 18.61-999 ?-999 ?-999 ? O2 UNL A 137 mTHR^A 124 56.02 7.38 20.90 56.53 7.72 20.10 56.11 8.29 23.24 55.90 8.00 24.40 56.60 7.23 22.26 58.16 7.22 22.22 2 0 19.40-999 ?-999 ?-999 ? O2 UNL A 137 mASP^A 125 55.95 9.52 22.75 56.17 9.60 21.77 54.03 10.42 23.92 53.16 10.64 23.07 55.51 10.64 23.57 55.76 11.96 22.81 2 0 17.84-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 126 53.78 10.00 25.17 54.61 9.92 25.71 51.38 10.81 25.60 50.18 10.52 25.57 52.42 9.68 25.69 52.50 9.12 27.11 2 0 20.95-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 127 51.83 12.07 25.56 52.82 12.13 25.67 50.17 13.19 24.02 49.08 13.76 23.92 50.93 13.24 25.35 51.71 14.55 25.35 2 0 19.34-999 ?-999 ?-999 ? O2 UNL A 137 mPHE^A 128 50.76 12.53 23.02 51.66 12.16 23.24 48.86 11.50 21.67 48.23 11.51 20.64 50.12 12.37 21.72 51.13 12.06 20.60 3 0 18.03-999 ?-999 ?-999 ? O2 UNL A 137 mLEU^A 129 48.51 10.76 22.74 49.22 10.74 23.45 46.07 11.09 22.70 45.15 10.90 21.92 47.21 10.05 22.85 47.04 9.31 24.19 3 0 21.78-999 ?-999 ?-999 ? O2 UNL A 137 mLYS^A 130 46.19 12.19 23.46 46.96 12.16 24.09 45.46 14.09 22.01 44.47 14.37 21.33 45.28 13.34 23.36 45.48 14.33 24.51 2 0 21.60-999 ?-999 ?-999 ? O2 UNL A 137 mTYR^A 131 46.70 14.35 21.61 47.41 13.99 22.21 46.60 14.45 19.02 46.50 15.17 18.03 46.96 15.13 20.37 48.38 15.70 20.33 3 0 18.07-999 ?-999 ?-999 ? O2 UNL A 137 mARG^A 132 46.37 13.12 18.99 46.53 12.71 19.89 44.76 13.01 17.04 44.74 13.07 15.81 45.94 12.36 17.76 45.44 10.91 18.06 2 0 19.27-999 ?-999 ?-999 ? O2 UNL A 137 mGLU^A 133 43.78 13.44 17.85 43.95 13.24 18.81 42.86 15.45 16.61 42.05 15.84 15.77 42.57 14.16 17.39 41.65 14.47 18.58 2 0 21.05-999 ?-999 ?-999 ? O2 UNL A 137 mALA^A 134 44.00 16.10 16.90 44.51 15.67 17.64 45.01 17.10 14.78 45.25 18.10 14.08 44.45 17.31 16.20 45.48 18.05 17.05 2 0 17.89-999 ?-999 ?-999 ? O2 UNL A 137 mLEU^A 135 45.23 15.84 14.37 45.01 15.16 15.06 44.60 15.19 12.08 43.72 14.39 12.42 45.75 15.49 13.04 46.67 14.26 13.13 3 0 16.94-999 ?-999 ?-999 ? O2 UNL A 137 mSER^A 136 44.62 15.81 10.90 45.41 16.41 10.78 44.12 15.75 8.46 45.27 16.15 8.22 43.58 15.62 9.88 42.46 16.65 10.09 2 0 18.95-999 ?-999 ?-999 ? O2 UNL A 137