HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-AUG-05 2ARH COMPND HYPOTHETICAL PROTEIN AQ_1966; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; SOURCE 3 ORGANISM_TAXID: 63363; SOURCE 4 GENE: AQ_1966; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.QIU,Y.KIM,X.YANG,F.COLLART,A.JOACHIMIAK,A.KOSSIAKOFF,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 144 8 HET MSE B 1 8 HET MSE B 144 8 HET MSE C 144 8 HET SO4 A 202 5 HET CA A 203 1 HET SE C 202 1 HET SE C 203 1 SITE 1 AC1 8 PHE A 32 LYS A 33 GLU A 34 PHE A 53 SITE 1 AC2 3 LYS A 3 GLU A 6 HIS A 93 SITE 1 AC3 4 GLU A 182 TYR C 4 PHE C 36 SE C 203 SITE 1 AC4 3 GLU A 182 TYR C 4 SE C 202 mASP~A -1 20.47 44.69 67.52 20.48 44.16 66.67 21.75 45.27 69.57 22.24 44.14 69.71 20.47 45.48 68.79 19.27 45.17 69.71 2 0 7.94-999 ?-999 ?-999 ? CA CA A 203 mALA~A 0 22.25 46.40 70.08 21.80 47.22 69.74 23.08 45.66 72.30 24.04 45.19 72.90 23.32 46.47 71.02 23.59 47.94 71.35 2 0 8.41-999 ?-999 ?-999 ? CA CA A 203 mMETA 1 21.83 45.50 72.72 21.16 45.94 72.13 21.45 43.22 73.80 21.95 42.52 74.67 21.49 44.74 73.94 20.18 45.24 74.55 2 0 9.41-999 ?-999 ?-999 ? CA CA A 203 mVAL~A 2 20.85 42.72 72.73 20.35 43.39 72.18 22.39 40.86 72.42 22.77 40.05 73.23 20.92 41.29 72.40 20.26 40.96 71.01 3 0 6.92-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 3 23.20 41.44 71.54 22.70 42.03 70.90 25.29 41.30 72.89 26.01 40.35 73.25 24.65 41.27 71.50 25.28 42.35 70.59 2 0 -4.78-999 ?-999 ?-999 ? CA CA A 203s mTYR~A 4 25.06 42.39 73.64 24.53 43.09 73.18 25.29 41.28 75.88 26.19 40.78 76.55 25.55 42.52 75.01 24.91 43.76 75.68 3 0 8.50-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 5 24.05 40.79 75.83 23.47 41.26 75.16 24.13 38.38 76.22 24.43 37.54 77.06 23.55 39.70 76.64 22.00 39.66 76.57 2 0 9.53-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 6 24.31 38.20 74.91 23.87 38.92 74.37 26.54 37.05 74.77 27.11 35.99 75.01 25.06 37.07 74.33 24.97 37.12 72.81 2 0 -7.39-999 ?-999 ?-999 ? CA CA A 203s mLEU~A 7 27.15 38.22 74.89 26.57 39.01 74.69 28.76 37.87 76.72 29.63 37.05 77.00 28.56 38.32 75.29 29.09 39.74 75.11 3 0 8.85-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 8 27.95 38.40 77.63 27.32 39.08 77.24 27.73 36.57 79.28 28.42 35.95 80.08 27.98 38.03 79.05 26.91 38.79 79.84 3 0 12.23-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 9 26.71 36.04 78.62 26.24 36.68 78.00 27.48 33.70 78.50 27.83 32.90 79.34 26.31 34.66 78.80 25.07 34.32 77.94 2 0 12.47-999 ?-999 ?-999 ? CA CA A 203 mTHR~A 10 28.09 33.81 77.33 27.77 34.55 76.74 30.47 33.18 77.73 31.25 32.28 78.02 29.16 32.87 77.00 29.32 32.58 75.45 2 0 12.33-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 11 30.71 34.45 78.06 30.00 35.08 77.76 31.87 34.49 80.31 32.89 34.25 80.94 31.92 34.83 78.80 32.21 36.32 78.59 3 0 14.16-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 12 30.66 34.54 80.86 29.95 34.84 80.22 30.21 32.69 82.45 30.65 32.15 83.46 30.39 34.20 82.26 29.17 34.96 82.78 2 0 16.72-999 ?-999 ?-999 ? CA CA A 203 mASN~A 13 29.59 32.01 81.49 29.06 32.57 80.85 31.18 30.12 81.33 31.58 29.16 81.99 29.71 30.54 81.42 28.91 29.91 80.28 2 0 17.25-999 ?-999 ?-999 ? CA CA A 203 mGLY~A 14 31.96 30.82 80.51 31.48 31.54 80.01 33.69 29.83 79.07 32.92 28.98 78.64 33.38 30.57 80.36-999.99-999.99-999.99 1 0 17.78-999 ?-999 ?-999 ? CA CA A 203 mILE.A 15 34.81 30.17 78.43 35.29 30.96 78.80 36.36 28.45 77.69 37.41 28.89 78.15 35.26 29.40 77.25 35.72 30.29 76.06 3 0 17.34-999 ?-999 ?-999 ? CA CA A 203 mASN.A 16 36.08 27.16 77.56 35.17 26.98 77.18 38.15 25.95 76.97 37.95 25.95 75.76 37.01 26.10 77.95 36.26 24.77 78.05 2 0 20.72-999 ?-999 ?-999 ? CA CA A 203 mSER.A 17 39.37 25.85 77.50 39.41 25.98 78.49 41.45 24.67 77.47 41.21 24.44 78.65 40.52 25.56 76.67 41.23 26.84 76.29 2 0 22.69-999 ?-999 ?-999 ? CA CA A 203 mGLU.A 18 42.51 24.17 76.84 42.62 24.44 75.88 44.32 24.14 78.40 45.00 23.66 79.30 43.41 23.28 77.55 44.23 22.44 76.57 2 0 26.41-999 ?-999 ?-999 ? CA CA A 203 mGLU.A 19 44.31 25.42 78.10 43.73 25.68 77.33 44.33 26.82 80.08 44.92 27.39 81.00 45.11 26.35 78.84 45.59 27.49 77.93 2 0 26.47-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 20 43.02 26.53 80.13 42.70 25.98 79.36 40.83 27.60 80.77 40.58 27.79 79.58 42.16 26.99 81.22-999.99-999.99-999.99 1 0 25.26-999 ?-999 ?-999 ? CA CA A 203 mGLU.A 21 39.98 27.87 81.74 40.29 27.66 82.66 38.85 29.96 81.31 39.49 30.58 82.17 38.68 28.45 81.42 37.62 28.02 82.44 2 0 22.43-999 ?-999 ?-999 ? CA CA A 203 mILE^A 22 38.40 30.54 80.20 38.07 29.88 79.52 37.06 32.56 80.47 36.00 32.21 79.92 38.40 32.00 80.00 38.61 32.42 78.51 3 0 19.84-999 ?-999 ?-999 ? CA CA A 203 mARG^A 23 37.13 33.40 81.50 38.07 33.57 81.80 36.01 35.57 82.18 37.07 36.19 82.24 35.96 34.03 82.14 35.79 33.50 83.59 2 0 19.21-999 ?-999 ?-999 ? CA CA A 203 mLEU^A 24 34.83 36.15 82.19 34.07 35.51 82.10 34.69 37.81 83.81 33.87 37.24 84.52 34.65 37.58 82.33 33.24 37.98 81.82 3 0 17.99-999 ?-999 ?-999 ? CA CA A 203 mVAL^A 25 35.63 38.62 84.29 36.22 39.05 83.61 35.42 40.25 86.21 35.27 40.47 87.43 35.73 38.83 85.73 37.03 38.26 86.33 3 0 21.39-999 ?-999 ?-999 ? CA CA A 203 mARG^A 26 35.26 41.17 85.25 35.33 40.81 84.32 34.52 43.29 84.27 35.04 43.06 83.19 34.99 42.57 85.51 36.24 43.29 86.05 2 0 18.78-999 ?-999 ?-999 ? O2 SO4 A 202 mLYS^A 27 33.57 44.21 84.47 33.31 44.27 85.43 32.97 46.51 83.92 32.53 46.80 85.06 32.96 45.06 83.45 31.48 44.70 83.27 2 0 15.08-999 ?-999 ?-999 ? O2 SO4 A 202 mSER^A 28 33.44 47.42 83.07 33.96 47.05 82.30 32.77 49.58 82.03 33.34 49.40 80.94 33.20 48.83 83.29 34.39 49.49 83.97 2 0 13.18-999 ?-999 ?-999 ? O2 SO4 A 202 mGLN^A 29 31.72 50.39 82.19 31.26 50.26 83.07 32.44 52.23 80.69 33.17 52.82 81.49 31.27 51.38 81.20 30.21 52.32 81.83 2 0 9.79-999 ?-999 ?-999 ? O2 SO4 A 202 mGLY.A 30 32.62 52.28 79.37 32.08 51.62 78.86 32.96 54.64 78.54 31.92 55.00 79.07 33.53 53.25 78.75-999.99-999.99-999.99 1 0 8.60-999 ?-999 ?-999 ? O2 SO4 A 202 mARG.A 31 33.64 55.44 77.74 34.47 55.03 77.35 31.87 56.91 76.66 31.13 57.88 76.84 33.17 56.81 77.48 34.27 57.68 76.85 2 0 7.71-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE.A 32 31.59 55.95 75.79 32.27 55.22 75.73 29.45 54.95 75.57 29.90 54.11 76.33 30.37 55.99 74.99 30.66 55.83 73.48 3 0 -3.97-999 ?-999 ?-999 ? O1 SO4 A 202s mLYS.A 33 28.16 55.06 75.29 27.95 55.72 74.57 27.24 52.76 75.70 26.98 51.94 76.59 27.16 54.25 75.98 25.76 54.77 75.69 2 0 -3.59-999 ?-999 ?-999 ? O2 SO4 A 202s mGLU.A 34 27.60 52.41 74.47 27.82 53.19 73.88 29.07 50.39 74.15 29.34 49.32 73.56 27.66 50.99 74.05 27.10 50.80 72.63 2 0 -3.36-999 ?-999 ?-999 ? O2 SO4 A 202s mGLU^A 35 29.93 51.12 74.88 29.53 51.94 75.28 31.63 50.29 76.50 31.28 50.93 77.47 31.33 50.77 75.07 32.21 51.95 74.69 2 0 5.47-999 ?-999 ?-999 ? O2 SO4 A 202 mPHE^A 36 32.28 49.14 76.58 32.48 48.73 75.69 34.08 47.96 77.82 34.58 47.56 76.78 32.65 48.52 77.84 31.67 47.40 78.16 3 0 9.10-999 ?-999 ?-999 ? O2 SO4 A 202 mASN^A 37 34.75 47.93 78.97 34.36 48.52 79.69 35.52 45.77 79.77 34.85 45.77 80.79 35.94 47.10 79.14 37.00 47.82 79.99 2 0 12.61-999 ?-999 ?-999 ? O2 SO4 A 202 mPHE^A 38 35.89 44.65 79.16 36.38 44.80 78.31 36.93 42.73 80.07 37.75 42.44 79.19 35.58 43.33 79.70 34.87 42.49 78.64 3 0 15.07-999 ?-999 ?-999 ? O2 SO4 A 202 mASP^A 39 37.19 42.65 81.36 36.47 43.03 81.95 38.19 40.59 81.93 37.19 40.12 82.46 38.39 42.08 81.89 38.69 42.60 83.30 2 0 18.54-999 ?-999 ?-999 ? O2 SO4 A 202 mLEU^A 40 39.15 39.86 81.37 39.93 40.39 81.03 40.21 37.77 82.03 41.37 38.17 81.93 39.07 38.42 81.27 39.13 37.99 79.79 3 0 19.90-999 ?-999 ?-999 ? CA CA A 203 mSER^A 41 39.88 36.72 82.75 38.89 36.58 82.84 41.01 34.52 82.63 40.06 34.04 82.01 40.90 35.87 83.35 40.61 35.67 84.85 2 0 22.88-999 ?-999 ?-999 ? CA CA A 203 mLEU^A 42 42.21 33.95 82.67 42.92 34.55 83.05 42.79 31.75 83.44 43.74 32.02 84.17 42.48 32.58 82.19 43.64 32.58 81.21 3 0 23.93-999 ?-999 ?-999 ? CA CA A 203 mGLY.A 43 41.96 30.75 83.70 41.35 30.50 82.95 41.72 31.22 85.99 40.66 31.84 86.04 41.97 30.11 84.99-999.99-999.99-999.99 1 0 25.76-999 ?-999 ?-999 ? SE SE C 202 mSER.A 44 42.76 31.51 86.76 43.61 31.09 86.44 43.58 33.55 87.76 43.52 34.49 88.54 42.68 32.33 87.94 43.10 31.48 89.15 2 0 24.15-999 ?-999 ?-999 ? SE SE C 202 mLYS^A 45 44.37 33.54 86.69 44.32 32.69 86.17 44.51 35.70 85.38 43.71 35.32 84.52 45.22 34.67 86.33 46.52 34.17 85.69 2 0 20.64-999 ?-999 ?-999 ? SE SE C 202 mPRO^A 46 44.80 37.00 85.54 45.38 37.24 86.32 44.75 37.60 83.16 45.94 37.29 83.00 44.24 37.97 84.56 44.83 39.32 85.02 3 0 20.15-999 ?-999 ?-999 ? SE SE C 202 mLEU^A 47 43.87 37.56 82.17 42.93 37.81 82.42 44.52 38.47 80.00 45.64 38.78 79.61 44.30 37.19 80.81 43.28 36.28 80.11 3 0 20.79-999 ?-999 ?-999 ? SE SE C 202 mLEU^A 48 43.43 39.22 79.81 42.62 38.88 80.29 42.11 41.20 79.15 41.19 40.79 79.87 43.41 40.40 78.98 43.63 40.04 77.51 3 0 21.16-999 ?-999 ?-999 ? SE SE C 202 mTHR^A 49 42.08 42.34 78.47 42.94 42.55 78.01 40.36 43.21 76.94 41.10 43.33 75.96 40.92 43.20 78.38 41.28 44.62 78.85 2 0 18.02-999 ?-999 ?-999 ? O2 SO4 A 202 mLEU^A 50 39.04 42.99 76.86 38.65 42.64 77.71 37.56 44.59 75.81 36.70 44.74 76.69 38.23 43.24 75.68 37.10 42.22 75.66 3 0 15.34-999 ?-999 ?-999 ? O2 SO4 A 202 mLYS^A 51 37.94 45.58 74.97 38.80 45.43 74.48 36.06 46.49 73.75 36.38 46.29 72.56 37.12 46.76 74.83 37.94 48.00 74.50 2 0 12.06-999 ?-999 ?-999 ? O2 SO4 A 202 mVAL^A 52 34.79 46.43 74.16 34.67 46.66 75.13 32.92 47.31 72.91 32.67 48.16 73.78 33.71 46.07 73.26 32.75 44.97 73.86 3 0 9.92-999 ?-999 ?-999 ? O2 SO4 A 202 mPHE^A 53 32.58 47.46 71.63 32.99 46.81 71.00 30.56 47.86 70.58 30.73 47.20 69.57 31.68 48.53 71.24 32.27 49.58 70.33 3 0 -6.81-999 ?-999 ?-999 ? O2 SO4 A 202s mLEU.A 54 29.39 48.00 71.19 29.37 48.73 71.87 27.57 47.52 69.57 26.82 46.71 69.06 28.25 47.14 70.86 27.21 47.12 72.01 3 0 7.00-999 ?-999 ?-999 ? O2 SO4 A 202 mGLY.A 55 27.80 48.74 69.08 28.46 49.27 69.62 26.08 50.34 68.22 25.50 50.31 69.32 27.12 49.27 67.87-999.99-999.99-999.99 1 0 6.57-999 ?-999 ?-999 ? O2 SO4 A 202 mARG.A 56 25.91 51.32 67.32 26.60 51.31 66.61 24.53 52.51 65.90 24.94 53.49 65.25 24.83 52.31 67.37 25.26 53.62 68.05 2 0 -5.07-999 ?-999 ?-999 ? O4 SO4 A 202s mLYS.A 57 23.88 51.52 65.33 23.51 50.85 65.96 22.65 52.46 63.52 21.81 52.77 64.37 23.75 51.45 63.89 23.38 50.01 63.50 2 0 8.72-999 ?-999 ?-999 ? O4 SO4 A 202 mPRO.A 58 22.70 53.04 62.29 21.89 53.60 62.15 24.96 53.82 61.46 25.88 53.79 60.65 23.73 52.94 61.24 23.02 53.53 60.04 3 0 10.56-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR.A 59 24.96 54.62 62.54 24.19 54.49 63.17 27.37 54.94 63.09 28.39 55.30 62.44 26.00 55.58 62.79 25.55 56.53 63.89 3 0 8.08-999 ?-999 ?-999 ? O3 SO4 A 202 mTRP.A 60 27.40 53.99 64.03 26.52 53.83 64.47 28.40 51.74 64.41 27.51 51.25 65.07 28.64 53.27 64.38 29.23 53.77 65.71 3 0 6.80-999 ?-999 ?-999 ? O3 SO4 A 202 mGLN.A 61 29.23 51.02 63.65 29.85 51.59 63.11 29.91 49.02 64.82 30.81 49.69 65.36 29.23 49.56 63.59 30.01 49.11 62.34 2 0 9.44-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO.A 62 29.49 47.81 65.28 28.71 47.41 64.81 31.69 46.90 66.14 32.11 46.67 64.99 30.22 47.18 66.42 29.44 45.88 66.67 3 0 9.39-999 ?-999 ?-999 ? O2 SO4 A 202 mTRP^A 63 32.51 46.95 67.18 32.07 47.29 68.02 34.39 46.01 68.46 33.80 46.33 69.50 33.91 46.54 67.09 34.80 47.68 66.53 3 0 11.04-999 ?-999 ?-999 ? O2 SO4 A 202 mVAL^A 64 35.43 45.17 68.45 35.75 44.93 67.53 37.54 44.86 69.57 38.14 44.67 68.51 36.04 44.66 69.69 35.64 43.19 70.00 3 0 12.60-999 ?-999 ?-999 ? CA CA A 203 mGLU^A 65 38.13 45.34 70.65 37.50 45.53 71.40 40.13 44.61 71.75 39.78 44.69 72.92 39.55 45.57 70.73 39.80 46.99 71.20 2 0 14.59-999 ?-999 ?-999 ? O2 SO4 A 202 mVAL^A 66 41.01 43.71 71.33 41.13 43.65 70.34 43.13 43.38 72.58 43.99 43.39 71.70 41.73 42.88 72.32 41.59 41.29 72.13 3 0 17.85-999 ?-999 ?-999 ? O2 SO4 A 202 mPHE^A 67 43.34 43.81 73.82 42.57 43.67 74.43 44.88 44.05 75.68 44.06 43.40 76.37 44.57 44.45 74.23 44.40 45.97 74.10 3 0 19.42-999 ?-999 ?-999 ? O2 SO4 A 202 mGLY.A 68 46.07 44.42 76.14 46.67 44.77 75.42 46.66 42.87 77.98 46.27 42.44 79.09 46.45 44.31 77.57-999.99-999.99-999.99 1 0 18.38-999 ?-999 ?-999 ? SE SE C 202 mVAL.A 69 47.28 42.12 77.08 47.49 42.57 76.22 48.59 40.68 78.57 49.60 41.38 78.58 47.61 40.73 77.39 48.12 40.00 76.16 3 0 17.83-999 ?-999 ?-999 ? SE SE C 202 mASN~A 70 48.23 39.93 79.60 47.30 39.57 79.54 50.53 39.26 80.21 50.67 38.21 79.59 49.13 39.67 80.71 48.55 38.56 81.56 2 0 15.57-999 ?-999 ?-999 ? SE SE C 202 mPRO~A 71 51.56 40.11 80.48 51.33 40.91 81.04 53.48 38.52 80.44 54.30 37.94 79.74 52.90 39.84 79.97 53.73 41.01 80.54 3 0 12.46-999 ?-999 ?-999 ? SE SE C 202 mASN~A 72 53.05 38.01 81.59 52.40 38.58 82.10 52.65 35.52 81.49 52.87 34.35 81.84 53.51 36.72 82.02 53.89 36.75 83.54 2 0 12.89-999 ?-999 ?-999 ? SE SE C 202 mLEU~A 73 51.71 35.83 80.58 51.60 36.81 80.43 51.08 34.82 78.37 50.37 34.07 77.70 50.93 34.80 79.89 49.45 34.85 80.24 3 0 16.56-999 ?-999 ?-999 ? SE SE C 202 mARG~A 74 52.00 35.61 77.83 52.59 36.06 78.50 52.53 34.50 75.58 51.93 34.18 74.54 52.14 35.79 76.38 53.13 36.94 76.08 2 0 16.60-999 ?-999 ?-999 ? SE SE C 202 mASN~A 75 53.56 33.81 76.08 53.99 34.23 76.87 53.00 31.42 75.79 53.10 30.35 75.22 54.01 32.55 75.52 55.40 32.20 76.04 2 0 17.91-999 ?-999 ?-999 ? SE SE C 202 mVAL~A 76 52.00 31.67 76.62 52.03 32.58 77.04 49.78 30.92 75.96 49.21 29.97 75.41 50.95 30.67 76.89 50.50 30.68 78.41 3 0 20.28-999 ?-999 ?-999 ? SE SE C 202 mPHE~A 77 49.43 32.20 75.76 50.08 32.85 76.15 48.32 32.53 73.51 47.51 31.86 72.86 48.21 32.58 75.04 47.65 33.93 75.55 3 0 21.68-999 ?-999 ?-999 ? SE SE C 202 mPHE~A 78 49.31 33.22 72.95 49.91 33.67 73.61 49.80 31.93 70.90 50.76 31.28 71.31 49.47 33.30 71.49 50.52 34.35 71.11 3 0 22.36-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 79 48.97 31.49 69.97 48.26 32.15 69.74 48.29 29.06 70.03 48.24 27.96 69.52 49.06 30.17 69.33-999.99-999.99-999.99 1 0 25.60-999 ?-999 ?-999 ? SE SE C 202 mSER~A 80 47.70 29.34 71.19 47.80 30.29 71.48 45.58 28.03 71.40 45.06 28.77 70.60 46.98 28.33 71.96 46.84 28.82 73.39 2 0 24.96-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 81 44.97 26.93 71.85 45.57 26.30 72.33 42.66 27.83 72.29 41.52 28.11 71.85 43.53 26.70 71.64 43.16 25.34 72.24 2 0 22.76-999 ?-999 ?-999 ? CA CA A 203 mALA~A 82 43.18 28.45 73.34 44.09 28.13 73.60 42.31 30.74 73.15 41.22 31.28 72.98 42.48 29.51 74.05 43.22 29.88 75.34 2 0 21.09-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 83 43.41 31.15 72.55 44.23 30.63 72.80 42.45 32.05 70.44 41.67 32.94 70.10 43.41 32.26 71.63 44.83 32.53 71.18 2 0 20.15-999 ?-999 ?-999 ? CA CA A 203 mARG~A 84 42.52 30.87 69.83 43.27 30.31 70.18 40.07 30.42 69.13 39.20 30.84 68.38 41.60 30.43 68.75 42.05 29.01 68.36 2 0 18.82-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 85 39.76 29.91 70.31 40.54 29.59 70.86 37.92 31.23 71.09 36.81 31.59 70.70 38.41 29.82 70.77 38.31 28.85 71.96 2 0 16.72-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 86 38.75 32.05 71.72 39.60 31.62 72.03 38.01 34.23 70.60 36.92 34.79 70.52 38.39 33.47 71.91 39.44 34.23 72.75 3 0 15.29-999 ?-999 ?-999 ? CA CA A 203 mTYR~A 87 38.90 34.23 69.59 39.72 33.70 69.80 37.43 34.46 67.56 36.69 35.26 66.96 38.68 34.95 68.31 39.90 34.87 67.37 3 0 14.36-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 88 37.26 33.15 67.62 37.99 32.68 68.10 34.81 32.94 67.64 33.90 33.26 66.87 36.15 32.43 67.07 36.38 30.97 67.41 2 0 13.02-999 ?-999 ?-999 ? CA CA A 203 mPHE~A 89 34.71 33.02 68.97 35.46 32.56 69.44 33.45 35.15 69.22 32.39 35.56 68.83 33.61 33.70 69.68 33.85 33.58 71.21 3 0 10.49-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 90 34.52 35.94 69.27 35.32 35.49 69.67 33.98 37.48 67.32 33.12 38.29 67.07 34.50 37.33 68.78 35.88 38.00 68.97 3 0 9.81-999 ?-999 ?-999 ? CA CA A 203 mSER~A 91 34.46 36.64 66.41 35.12 35.98 66.78 32.56 36.38 64.77 32.02 36.73 63.72 34.04 36.68 65.00 34.93 35.75 64.15 2 0 9.65-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 92 31.90 35.76 65.73 32.47 35.44 66.48 29.62 36.81 66.03 28.40 36.81 65.88 30.45 35.58 65.66 30.03 34.42 66.54 2 0 6.71-999 ?-999 ?-999 ? CA CA A 203 mHIS.A 93 30.31 37.84 66.55 31.30 37.73 66.53 30.22 40.34 66.61 29.62 41.35 66.83 29.66 39.01 67.09 29.68 38.96 68.62 3 0 -4.67-999 ?-999 ?-999 ? CA CA A 203s mPHE.A 94 31.40 40.37 66.00 31.83 39.48 65.89 32.51 41.63 64.13 33.33 40.79 63.84 31.95 41.66 65.55 33.04 42.16 66.51 3 0 7.60-999 ?-999 ?-999 ? CA CA A 203 mGLY.A 95 32.03 42.53 63.28 31.31 43.11 63.66 33.91 43.28 61.83 34.59 43.18 60.81 32.53 42.65 61.90-999.99-999.99-999.99 1 0 9.88-999 ?-999 ?-999 ? CA CA A 203 mARG^A 96 34.33 43.92 62.90 33.69 43.92 63.67 36.32 44.23 64.22 35.71 44.24 65.29 35.63 44.58 62.93 35.46 46.08 62.77 2 0 12.70-999 ?-999 ?-999 ? CA CA A 203 mILE^A 97 37.60 43.88 64.10 37.95 43.89 63.17 39.77 44.22 65.29 40.32 44.52 64.25 38.40 43.51 65.26 38.52 41.93 65.40 3 0 14.24-999 ?-999 ?-999 ? CA CA A 203 mPHE^A 98 40.25 44.53 66.50 39.60 44.39 67.25 42.27 44.09 67.71 41.69 43.74 68.78 41.60 45.04 66.73 41.62 46.42 67.38 3 0 17.45-999 ?-999 ?-999 ? O2 SO4 A 202 mVAL^A 99 43.47 43.63 67.35 43.79 43.88 66.44 45.61 43.40 68.45 46.36 43.60 67.49 44.22 42.81 68.27 44.25 41.27 67.89 3 0 19.61-999 ?-999 ?-999 ? CA CA A 203 mGLU^A 100 45.91 43.72 69.69 45.15 43.63 70.34 48.29 43.03 69.88 48.17 41.99 70.53 47.27 44.16 70.04 47.28 44.72 71.45 2 0 21.90-999 ?-999 ?-999 ? SE SE C 202 mTYR.A 101 49.28 43.23 69.00 49.31 44.15 68.60 51.61 42.32 69.39 52.52 41.49 69.15 50.24 42.17 68.68 50.43 42.00 67.15 3 0 21.00-999 ?-999 ?-999 ? SE SE C 202 mPHE.A 102 51.76 43.35 70.22 50.90 43.82 70.43 53.76 42.59 71.49 54.97 42.37 71.29 53.04 43.75 70.79 52.88 44.96 71.74 3 0 17.52-999 ?-999 ?-999 ? SE SE C 202 mGLU.A 103 53.01 41.81 72.25 52.04 42.05 72.24 53.64 39.39 72.32 53.95 38.40 72.95 53.56 40.72 73.03 52.65 40.48 74.19 2 0 15.88-999 ?-999 ?-999 ? SE SE C 202 mASP~A 104 53.30 39.39 71.04 53.05 40.30 70.71 54.52 38.35 69.33 54.49 39.08 68.33 53.30 38.21 70.19 52.03 38.24 69.32 2 0 18.95-999 ?-999 ?-999 ? SE SE C 202 mLYS~A 105 55.60 37.68 69.71 55.45 37.05 70.48 56.96 37.30 67.63 57.67 37.85 66.79 56.88 37.88 69.02 58.10 37.50 69.87 2 0 18.46-999 ?-999 ?-999 ? SE SE C 202 mGLU~A 106 56.28 36.19 67.38 55.84 35.79 68.19 55.58 36.67 65.05 56.27 37.07 64.09 56.19 35.62 66.04 55.43 34.29 66.03 2 0 22.13-999 ?-999 ?-999 ? SE SE C 202 mTHR~A 107 54.34 37.15 65.34 53.93 36.74 66.15 54.49 39.44 64.39 54.65 39.98 63.28 53.68 38.17 64.53 52.28 38.59 65.08 2 0 23.49-999 ?-999 ?-999 ? SE SE C 202 mTHR~A 108 55.00 39.94 65.51 54.68 39.47 66.33 57.11 40.81 64.53 57.38 41.63 63.67 55.94 41.05 65.51 56.45 41.30 66.94 2 0 21.10-999 ?-999 ?-999 ? SE SE C 202 mTYR~A 109 57.74 39.64 64.65 57.38 39.03 65.35 58.48 39.22 62.31 59.20 39.72 61.44 58.86 39.29 63.81 59.50 37.99 64.29 3 0 22.27-999 ?-999 ?-999 ? SE SE C 202 mGLU~A 110 57.35 38.57 62.01 56.87 38.21 62.81 56.54 39.74 59.98 57.02 40.00 58.87 56.87 38.41 60.65 55.65 37.49 60.65 2 0 25.91-999 ?-999 ?-999 ? SE SE C 202 mLEU~A 111 55.73 40.58 60.65 55.38 40.18 61.49 56.58 42.82 59.85 56.59 43.52 58.80 55.38 41.94 60.18 54.49 42.68 61.20 3 0 26.16-999 ?-999 ?-999 ? SE SE C 202 mGLN~A 112 57.57 42.80 60.74 57.36 42.28 61.57 59.60 43.00 59.28 60.33 43.78 58.67 58.85 43.47 60.52 59.75 43.25 61.72 2 0 24.89-999 ?-999 ?-999 ? SE SE C 202 mLYS~A 113 59.45 41.72 58.91 58.87 41.18 59.52 59.19 41.32 56.49 59.45 40.70 55.42 60.10 41.17 57.71 60.49 39.71 57.92 2 0 27.67-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 114 58.11 42.09 56.66 57.96 42.40 57.60 56.26 41.37 55.13 55.77 41.42 53.99 57.23 42.43 55.56-999.99-999.99-999.99 1 0 30.11-999 ?-999 ?-999 ? SE SE C 202 mVAL.A 115 55.93 40.41 56.00 56.45 40.35 56.85 53.52 40.38 55.63 53.38 41.29 56.48 54.81 39.53 55.60 54.66 38.15 56.35 3 0 30.99-999 ?-999 ?-999 ? SE SE C 202 mPRO~A 116 52.61 40.10 54.66 52.89 39.44 53.96 50.60 40.46 55.99 50.62 39.30 56.47 51.31 40.76 54.67 50.60 40.11 53.48 3 0 29.22-999 ?-999 ?-999 ? CA CA A 203 mPRO~A 117 49.99 41.49 56.61 50.08 42.37 56.13 48.32 40.07 57.96 48.27 39.39 59.00 49.27 41.28 57.90 48.51 42.62 58.12 3 0 26.10-999 ?-999 ?-999 ? CA CA A 203 mALA~A 118 47.59 39.79 56.88 47.72 40.44 56.13 47.33 37.25 56.84 46.65 36.26 57.07 46.68 38.64 56.81 45.78 38.76 55.60 2 0 24.07-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 119 48.62 37.17 56.53 49.03 38.05 56.30 50.40 35.86 57.62 51.19 34.91 57.69 49.36 35.91 56.52 50.04 35.66 55.18 3 0 26.82-999 ?-999 ?-999 ? CA CA A 203 mSER~A 120 50.42 36.87 58.49 49.93 37.69 58.22 50.41 35.71 60.69 49.27 35.27 60.44 51.13 36.72 59.75 51.38 38.06 60.43 2 0 27.30-999 ?-999 ?-999 ? CA CA A 203 mARG~A 121 51.10 35.31 61.77 51.99 35.74 61.89 49.16 34.79 63.21 48.20 34.01 63.21 50.52 34.33 62.66 51.47 33.99 63.80 2 0 26.38-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 122 49.09 36.03 63.69 49.93 36.57 63.59 46.80 36.77 63.26 45.69 36.31 63.40 47.87 36.55 64.32 48.16 37.89 64.99 3 0 23.21-999 ?-999 ?-999 ? CA CA A 203 mGLY~A 123 47.18 37.48 62.19 48.16 37.69 62.16 45.72 36.75 60.36 44.58 36.77 59.91 46.26 37.92 61.15-999.99-999.99-999.99 1 0 22.17-999 ?-999 ?-999 ? CA CA A 203 mPHE~A 124 46.54 35.73 60.19 47.46 35.85 60.55 44.93 33.84 60.26 43.99 33.34 59.68 46.06 34.54 59.51 47.21 33.55 59.31 3 0 22.92-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 125 45.09 33.78 61.56 46.00 34.05 61.86 42.75 34.18 62.35 41.66 33.62 62.47 44.06 33.37 62.48 44.62 33.53 63.86 2 0 20.48-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 126 42.83 35.48 62.10 43.76 35.84 62.09 41.06 36.03 60.43 39.87 35.87 60.26 41.61 36.26 61.84 41.82 37.74 62.16 3 0 17.71-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 127 41.94 36.00 59.43 42.86 36.31 59.69 40.76 34.30 58.00 39.82 34.26 57.21 41.63 35.57 58.09 42.91 35.34 57.30 3 0 19.33-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 128 41.09 33.27 58.77 41.86 33.44 59.39 38.92 32.13 59.15 38.08 31.31 58.84 40.37 32.00 58.69 41.08 30.97 59.54 2 0 18.99-999 ?-999 ?-999 ? CA CA A 203 mLEU.A 129 38.64 33.20 59.88 39.42 33.83 59.95 36.52 34.44 59.71 35.52 34.93 60.19 37.37 33.46 60.54 37.66 34.06 61.91 3 0 15.18-999 ?-999 ?-999 ? CA CA A 203 mGLY.A 130 36.90 34.76 58.48 37.75 34.33 58.16 36.62 37.12 57.56 36.18 37.84 56.68 36.09 35.70 57.70-999.99-999.99-999.99 1 0 15.04-999 ?-999 ?-999 ? CA CA A 203 mTYR.A 131 37.59 37.53 58.38 37.90 36.84 59.04 39.03 38.97 57.06 39.84 38.08 56.84 38.13 38.89 58.28 38.86 39.30 59.57 3 0 15.90-999 ?-999 ?-999 ? CA CA A 203 mTHR.A 132 38.84 40.01 56.24 38.24 40.71 56.62 40.19 41.46 54.70 41.17 41.51 53.97 39.46 40.11 54.92 38.47 39.76 53.76 2 0 19.03-999 ?-999 ?-999 ? CA CA A 203 mTYR^A 133 39.76 42.54 55.35 38.95 42.42 55.93 41.35 43.93 56.34 40.88 43.74 57.42 40.47 43.81 55.17 39.54 45.04 55.10 3 0 20.17-999 ?-999 ?-999 ? CA CA A 203 mPHE^A 134 42.64 44.20 56.12 42.84 44.42 55.16 44.48 45.44 57.21 44.90 45.92 56.19 43.64 44.19 57.19 44.60 42.97 57.08 3 0 21.78-999 ?-999 ?-999 ? CA CA A 203 mARG^A 135 44.77 45.92 58.40 44.33 45.47 59.17 46.66 46.64 59.69 46.27 46.04 60.68 45.67 46.99 58.54 44.81 48.24 58.74 2 0 23.39-999 ?-999 ?-999 ? O3 SO4 A 202 mASP^A 136 47.94 46.95 59.51 48.07 47.36 58.60 49.38 48.14 61.05 50.01 48.96 60.37 49.04 46.76 60.47 50.29 46.20 59.70 2 0 25.32-999 ?-999 ?-999 ? O3 SO4 A 202 mTRP.A 137 48.98 48.41 62.29 48.42 47.73 62.75 50.70 49.44 63.56 50.88 48.45 64.26 49.39 49.64 62.87 48.36 50.19 63.84 3 0 23.88-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE.A 138 51.63 50.38 63.38 51.34 51.13 62.79 53.45 51.60 64.54 54.48 52.10 64.09 52.94 50.26 64.03 53.99 49.52 63.15 3 0 24.03-999 ?-999 ?-999 ? SE SE C 202 mILE.A 139 52.70 52.17 65.48 51.95 51.59 65.81 53.81 53.46 67.19 53.49 52.72 68.11 52.95 53.52 65.96 51.63 54.28 66.28 3 0 23.40-999 ?-999 ?-999 ? SE SE C 202 mPRO.A 140 54.89 54.24 67.24 55.02 54.91 66.50 55.16 54.31 69.76 54.56 55.36 70.00 55.80 54.02 68.38 56.98 54.94 68.08 3 0 20.50-999 ?-999 ?-999 ? SE SE C 202 mGLU.A 141 55.32 53.35 70.67 55.84 52.57 70.31 55.29 54.58 72.87 54.67 54.92 73.92 54.81 53.38 72.02 55.17 52.05 72.68 2 0 17.79-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 142 56.38 55.23 72.43 56.76 54.85 71.59 56.21 57.65 72.70 56.28 58.70 73.34 56.95 56.40 73.13-999.99-999.99-999.99 1 0 17.87-999 ?-999 ?-999 ? SE SE C 202 mLEU.A 143 55.50 57.51 71.58 55.61 56.63 71.14 53.23 58.41 71.67 52.68 59.33 72.26 54.63 58.56 71.07 54.62 58.50 69.53 3 0 21.51-999 ?-999 ?-999 ? SE SE C 202 mMETA 144 52.69 57.21 71.57 53.30 56.53 71.16 51.30 55.41 72.34 51.59 54.58 71.47 51.34 56.91 72.00 50.39 57.25 70.85 2 0 21.50-999 ?-999 ?-999 ? SE SE C 202 mGLU.A 145 51.01 55.08 73.60 51.04 55.86 74.24 49.50 53.18 73.10 48.66 53.96 72.64 50.66 53.71 74.00 50.31 53.63 75.51 2 0 19.04-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 146 49.51 51.87 72.81 50.31 51.39 73.15 48.44 51.31 70.55 47.40 51.28 69.96 48.44 51.21 72.07-999.99-999.99-999.99 1 0 20.73-999 ?-999 ?-999 ? SE SE C 202 mGLY.A 147 49.58 51.41 69.90 50.40 51.35 70.48 50.24 50.43 67.68 50.57 50.60 66.50 49.62 51.57 68.46-999.99-999.99-999.99 1 0 22.39-999 ?-999 ?-999 ? O2 SO4 A 202 mHIS.A 148 50.38 49.27 68.31 50.17 49.33 69.28 49.66 47.05 67.59 49.60 46.09 68.35 50.80 48.04 67.64 52.07 47.45 68.26 3 0 21.63-999 ?-999 ?-999 ? SE SE C 202 mLYS^A 149 48.76 47.31 66.66 49.01 48.06 66.05 47.35 46.12 65.13 47.78 46.83 64.21 47.51 46.57 66.54 46.37 47.46 66.89 2 0 21.93-999 ?-999 ?-999 ? O2 SO4 A 202 mILE^A 150 46.79 44.92 64.97 46.83 44.33 65.78 44.69 44.95 63.78 44.03 44.80 64.81 46.17 44.53 63.70 46.38 43.05 63.38 3 0 22.14-999 ?-999 ?-999 ? CA CA A 203 mGLN^A 151 44.22 45.57 62.69 44.92 45.72 61.99 42.29 45.21 61.35 42.89 45.19 60.29 42.85 45.99 62.53 42.80 47.51 62.28 2 0 19.70-999 ?-999 ?-999 ? CA CA A 203 mALA^A 152 41.16 44.55 61.54 40.73 44.71 62.43 39.13 43.75 60.44 38.47 43.91 61.45 40.64 43.66 60.51 41.10 42.18 60.73 2 0 17.62-999 ?-999 ?-999 ? CA CA A 203 mGLU^A 153 38.61 43.64 59.23 39.27 43.46 58.51 36.63 42.69 58.09 37.31 42.23 57.17 37.17 43.79 59.01 36.78 45.27 58.63 2 0 15.42-999 ?-999 ?-999 ? CA CA A 203 mLYS.A 154 35.43 42.22 58.41 35.10 42.53 59.30 34.26 42.10 56.24 33.92 43.30 56.28 34.66 41.33 57.54 33.41 40.85 58.31 2 0 13.87-999 ?-999 ?-999 ? CA CA A 203 mPRO.A 155 34.26 41.42 55.08 34.56 40.47 55.10 32.27 42.26 53.83 31.55 41.37 54.33 33.82 42.15 53.89 34.33 41.27 52.75 3 0 16.28-999 ?-999 ?-999 ? CA CA A 203 mLYS.A 156 31.78 43.32 53.16 32.49 43.94 52.83 29.64 42.56 52.01 28.48 42.21 52.23 30.32 43.56 52.94 30.07 44.96 52.37 2 0 15.88-999 ?-999 ?-999 ? CA CA A 203 mTHR~A 157 30.35 42.15 50.95 31.28 42.53 50.92 30.86 40.13 49.58 32.05 40.29 49.83 29.83 41.21 49.94 29.39 41.92 48.63 2 0 18.08-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 158 30.38 39.05 48.96 29.38 39.07 48.83 32.19 38.35 47.43 33.28 37.77 47.36 31.19 37.94 48.51 30.31 36.79 48.03 2 0 19.76-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 159 31.82 39.34 46.60 30.92 39.73 46.80 33.80 40.69 45.94 34.91 40.53 45.45 32.65 39.80 45.49 31.83 40.52 44.40 2 0 23.07-999 ?-999 ?-999 ? CA CA A 203 mALA~A 160 33.52 41.65 46.83 32.54 41.80 46.97 35.54 41.42 48.20 36.76 41.59 48.10 34.58 42.39 47.53 34.01 43.38 48.54 2 0 22.16-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 161 34.98 40.40 48.86 33.98 40.43 48.90 36.68 38.63 48.44 37.88 38.47 48.68 35.76 39.34 49.47 34.88 38.32 50.19 2 0 20.78-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 162 36.13 38.22 47.30 35.14 38.32 47.26 38.10 38.60 45.72 39.18 38.12 45.42 36.97 37.67 46.22 36.11 37.12 45.07 2 0 24.23-999 ?-999 ?-999 ? CA CA A 203 mARG~A 163 37.86 39.91 45.70 36.96 40.15 46.08 39.96 41.24 46.11 41.11 41.45 45.67 38.79 40.91 45.18 38.04 42.19 44.89 2 0 26.08-999 ?-999 ?-999 ? CA CA A 203 mHIS~A 164 39.68 41.32 47.41 38.71 41.25 47.64 41.65 40.23 48.48 42.85 40.34 48.72 40.75 41.49 48.37 40.19 42.00 49.69 3 0 24.70-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 165 41.07 39.06 48.26 40.08 39.09 48.12 42.83 37.72 47.02 43.97 37.30 47.21 41.86 37.84 48.23 40.98 36.61 48.44 3 0 25.45-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 166 42.39 38.09 45.81 41.40 38.23 45.77 44.47 39.19 45.00 45.62 38.94 44.66 43.30 38.27 44.67 42.60 38.89 43.47 2 0 29.08-999 ?-999 ?-999 ? CA CA A 203 mASN~A 167 44.15 40.27 45.69 43.18 40.39 45.86 46.16 40.61 47.16 47.33 40.96 47.13 45.17 41.17 46.13 44.53 42.43 46.67 2 0 29.27-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 168 45.67 39.78 48.08 44.68 39.65 48.02 47.50 38.22 48.40 48.63 38.07 48.88 46.49 39.13 49.08 45.61 38.35 50.08 3 0 28.14-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 169 47.07 37.65 47.28 46.12 37.88 47.06 49.08 37.47 45.76 50.23 37.06 45.91 47.87 36.76 46.44 46.97 36.08 45.41 2 0 31.02-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 170 48.81 38.55 45.06 47.83 38.69 44.88 50.82 39.76 45.76 52.01 39.53 45.64 49.84 39.44 44.59 49.19 40.69 44.00 2 0 33.62-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 171 50.31 40.25 46.89 49.32 40.39 46.88 52.03 39.38 48.52 53.20 39.55 48.82 51.18 40.54 48.03 50.35 41.11 49.19 2 0 32.50-999 ?-999 ?-999 ? CA CA A 203 mPHE~A 172 51.40 38.20 48.62 50.42 38.27 48.44 53.16 36.58 47.99 54.25 36.28 48.41 52.04 36.95 48.97 51.00 35.83 48.97 3 0 32.72-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 173 52.87 36.60 46.70 51.92 36.84 46.50 55.00 37.33 45.58 56.18 37.00 45.37 53.88 36.28 45.67 53.20 35.93 44.33 2 0 36.16-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 174 54.62 38.58 45.82 53.63 38.69 45.86 56.47 39.48 47.19 57.66 39.83 47.13 55.55 39.69 45.99 54.75 40.98 46.16 2 0 37.23-999 ?-999 ?-999 ? CA CA A 203 mPHE~A 175 55.93 38.96 48.30 54.97 38.70 48.21 57.69 37.62 49.41 58.83 37.69 49.85 56.70 38.79 49.53 55.80 38.61 50.78 3 0 36.32-999 ?-999 ?-999 ? CA CA A 203 mILE~A 176 57.19 36.55 48.82 56.25 36.71 48.51 59.03 35.37 47.62 59.89 34.50 47.65 57.85 35.29 48.61 56.76 34.26 48.17 3 0 37.94-999 ?-999 ?-999 ? SE SE C 202 mGLY~A 177 59.07 36.40 46.78 58.24 36.95 46.76 61.02 37.93 46.39 61.62 38.64 45.55 60.24 36.69 45.95-999.99-999.99-999.99 1 0 39.94-999 ?-999 ?-999 ? SE SE C 202 mLYS.A 178 61.03 38.19 47.69 60.56 37.52 48.26 62.21 39.02 49.58 62.56 39.89 50.40 61.68 39.38 48.22 60.67 40.55 48.29 2 0 37.17-999 ?-999 ?-999 ? SE SE C 202 mCYH.A 179 62.24 37.72 49.84 62.03 37.12 49.07 63.65 36.17 51.06 63.65 35.38 50.11 62.58 37.26 51.16 61.31 36.76 51.87 2 0 34.62-999 ?-999 ?-999 ? SE SE C 202 mGLU.A 180 64.61 36.26 51.98 64.66 37.17 52.38 64.93 34.73 53.72 63.98 35.31 54.17 65.51 35.17 52.40 66.95 35.67 52.64 2 0 33.99-999 ?-999 ?-999 ? SE SE C 202 mASP~A 181 65.51 33.75 54.39 66.44 33.53 54.07 63.74 32.23 54.84 62.62 32.67 54.56 64.80 33.09 55.49 64.18 34.05 56.51 2 0 31.70-999 ?-999 ?-999 ? SE SE C 202 mGLU~A 182 64.15 31.01 54.55 65.08 30.81 54.85 62.38 29.37 54.84 61.33 28.86 54.43 63.33 30.05 53.86 64.24 29.06 53.15 2 0 34.36-999 ?-999 ?-999 ? SE SE C 202s mGLY~A 183 62.73 29.42 56.13 63.66 29.76 56.28 60.58 29.86 57.32 59.50 29.32 57.52 61.84 29.02 57.21-999.99-999.99-999.99 1 0 31.88-999 ?-999 ?-999 ? SE SE C 202 mLEU~A 184 60.72 31.19 57.19 61.67 31.48 57.09 58.70 31.86 55.95 57.47 31.81 56.04 59.59 32.13 57.18 60.09 33.59 57.14 3 0 30.70-999 ?-999 ?-999 ? SE SE C 202 mILE~A 185 59.36 31.68 54.81 60.35 31.72 54.92 57.90 30.17 53.53 56.85 30.08 52.88 58.72 31.45 53.53 59.79 31.43 52.40 3 0 34.39-999 ?-999 ?-999 ? SE SE C 202 mLYS~A 186 58.38 29.16 54.25 59.23 29.37 54.74 56.44 28.02 55.12 55.39 27.54 54.69 57.73 27.88 54.31 58.69 26.89 54.96 2 0 35.37-999 ?-999 ?-999 ? SE SE C 202 mLYS~A 187 56.54 28.71 56.25 57.48 28.98 56.45 54.28 29.90 56.44 53.11 29.53 56.47 55.40 29.04 57.12 55.96 29.75 58.36 2 0 32.86-999 ?-999 ?-999 ? SE SE C 202 mVAL~A 188 54.65 31.00 55.83 55.63 31.19 55.93 53.07 31.14 53.91 51.86 31.32 53.69 53.75 31.87 55.09 54.53 33.17 54.60 3 0 32.05-999 ?-999 ?-999 ? CA CA A 203 mLYS~A 189 53.87 30.34 53.18 54.83 30.44 53.41 52.37 28.36 52.61 51.46 28.04 51.87 53.39 29.40 52.14 54.56 28.62 51.55 2 0 33.61-999 ?-999 ?-999 ? CA CA A 203 mGLU~A 190 52.55 27.80 53.80 53.42 28.05 54.24 50.23 27.58 54.63 49.17 27.01 54.38 51.55 26.90 54.38 52.04 26.34 55.74 2 0 31.95-999 ?-999 ?-999 ? CA CA A 203 mARG~A 191 50.31 28.80 55.15 51.25 29.10 55.27 48.40 30.04 54.25 47.17 30.05 54.26 49.17 29.64 55.51 49.62 30.82 56.42 2 0 28.50-999 ?-999 ?-999 ? CA CA A 203 mTYR~A 192 49.13 30.26 53.16 50.12 30.14 53.29 47.94 29.46 51.08 46.88 29.62 50.45 48.57 30.64 51.88 49.60 31.38 51.02 3 0 29.40-999 ?-999 ?-999 ? CA CA A 203 mASN~A 193 48.61 28.31 51.08 49.51 28.37 51.51 46.76 26.66 51.17 45.83 26.19 50.53 48.05 27.09 50.49 49.09 25.93 50.47 2 0 30.95-999 ?-999 ?-999 ? CA CA A 203 mPHE~A 194 46.72 26.84 52.48 47.58 27.17 52.88 44.36 27.40 52.68 43.30 26.86 52.33 45.53 26.58 53.24 45.73 26.90 54.72 3 0 27.85-999 ?-999 ?-999 ? CA CA A 203 mLEU~A 195 44.57 28.71 52.59 45.48 28.98 52.91 42.91 29.23 50.76 42.18 29.98 50.19 43.59 29.67 52.08 44.22 31.07 51.99 3 0 25.80-999 ?-999 ?-999 ? CA CA A 203 mGLU.A 196 43.11 27.99 50.35 43.76 27.50 50.92 42.05 25.93 49.48 42.79 24.97 49.26 42.44 27.40 49.16 43.38 27.54 47.95 2 0 27.74-999 ?-999 ?-999 ? CA CA A 203 mMETB 1 45.59 83.96 82.23 45.85 83.60 81.33 43.99 85.43 83.55 42.99 85.15 84.22 45.20 84.49 83.57 46.40 85.13 84.29 2 0 35.29-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL.B 2 44.10 86.53 82.81 45.04 86.72 82.51 41.86 86.51 81.86 40.69 86.61 82.23 42.95 87.39 82.47 43.35 88.51 81.46 3 0 36.31-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS.B 3 42.26 85.63 80.94 43.22 85.72 80.69 40.92 83.59 81.43 39.72 83.31 81.53 41.39 84.61 80.37 42.08 83.94 79.19 2 0 32.71-999 ?-999 ?-999 ? O1 SO4 A 202 mTYR.B 4 41.84 83.08 82.24 42.77 83.41 82.08 40.30 82.57 84.14 39.29 81.86 84.28 41.47 82.10 83.28 42.67 81.74 84.17 3 0 31.43-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 5 40.44 83.78 84.69 41.28 84.24 84.41 38.11 84.65 85.03 37.11 84.47 85.72 39.49 84.37 85.62 40.09 85.65 86.24 2 0 33.33-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 6 38.06 85.06 83.76 38.95 85.25 83.34 36.08 83.90 82.62 34.86 83.88 82.42 36.76 85.21 83.08 36.83 86.22 81.93 2 0 32.25-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU.B 7 36.84 82.81 82.46 37.82 82.98 82.51 35.57 81.01 83.51 34.43 80.57 83.49 36.24 81.49 82.23 37.27 80.46 81.71 3 0 28.49-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU.B 8 36.29 81.10 84.63 37.24 81.36 84.46 34.53 81.71 86.35 33.56 81.20 86.89 35.73 80.83 85.97 36.81 80.98 87.05 3 0 29.21-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS.B 9 34.59 83.01 86.10 35.42 83.31 85.64 32.19 83.53 85.77 31.14 83.39 86.42 33.49 83.88 86.49 33.88 85.37 86.35 2 0 31.51-999 ?-999 ?-999 ? O1 SO4 A 202 mTHR.B 10 32.24 83.37 84.46 33.15 83.55 84.07 30.52 81.61 84.11 29.30 81.42 84.24 31.08 82.97 83.67 31.46 82.88 82.18 2 0 29.13-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU.B 11 31.43 80.67 84.35 32.37 81.01 84.35 30.58 79.06 86.00 29.64 78.28 86.21 31.08 79.28 84.59 32.28 78.38 84.31 3 0 26.19-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 12 31.23 79.72 86.96 32.01 80.26 86.63 29.49 80.41 88.53 28.64 79.99 89.31 30.81 79.67 88.36 31.90 80.19 89.30 2 0 28.35-999 ?-999 ?-999 ? O1 SO4 A 202 mASN.B 13 29.31 81.49 87.77 30.13 81.82 87.31 26.90 81.16 87.13 25.78 81.17 87.63 27.98 82.11 87.65 28.04 83.35 86.76 2 0 29.82-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 14 27.26 80.34 86.13 28.22 80.45 85.87 25.92 79.96 84.15 25.78 81.17 84.03 26.35 79.39 85.48-999.99-999.99-999.99 1 0 26.38-999 ?-999 ?-999 ? O1 SO4 A 202 mILE^B 15 25.73 79.11 83.15 26.01 78.17 83.36 23.75 79.05 81.74 23.47 77.86 81.82 25.16 79.54 81.87 25.97 79.06 80.62 3 0 25.06-999 ?-999 ?-999 ? O1 SO4 A 202 mASN^B 16 22.85 79.99 81.51 23.23 80.90 81.36 20.96 79.14 80.13 21.22 79.74 79.08 21.44 79.68 81.50 20.66 80.92 81.93 2 0 25.61-999 ?-999 ?-999 ? O1 SO4 A 202 mSER^B 17 20.25 78.01 80.16 20.22 77.56 81.05 18.22 76.92 79.34 17.95 76.65 80.51 19.57 77.50 78.98 20.41 76.40 78.29 2 0 23.35-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 18 17.38 76.71 78.32 17.71 77.05 77.44 16.23 74.55 78.77 15.24 73.89 79.05 16.10 76.05 78.48 15.20 76.32 77.27 2 0 23.32-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 19 17.45 74.02 78.72 18.16 74.66 78.45 18.17 72.41 80.46 18.30 71.27 80.92 17.71 72.61 79.03 18.74 72.01 78.06 2 0 19.82-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY^B 20 18.40 73.52 81.17 18.15 74.36 80.69 20.13 74.44 82.63 20.63 74.99 81.64 18.96 73.48 82.51-999.99-999.99-999.99 1 0 21.33-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU^B 21 20.57 74.68 83.84 20.09 74.21 84.58 22.93 74.74 83.86 23.00 73.60 84.35 21.68 75.58 84.03 21.58 76.21 85.44 2 0 22.97-999 ?-999 ?-999 ? O1 SO4 A 202 mILE^B 22 23.90 75.29 83.12 23.62 76.14 82.68 26.19 75.25 84.02 26.46 76.43 84.05 25.23 74.69 82.99 25.86 74.75 81.52 3 0 21.13-999 ?-999 ?-999 ? O1 SO4 A 202 mARG^B 23 26.70 74.37 84.88 26.48 73.42 84.68 28.88 74.11 86.01 29.05 73.05 85.43 27.51 74.79 86.02 26.77 74.48 87.33 2 0 22.75-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 24 29.86 74.75 86.65 29.61 75.67 86.97 31.02 73.18 88.01 30.65 73.57 89.11 31.16 74.17 86.86 32.17 75.25 87.26 3 0 23.12-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL^B 25 31.30 71.90 87.76 31.56 71.70 86.82 32.51 70.91 89.62 32.48 70.90 90.84 31.22 70.90 88.83 30.83 69.48 88.31 3 0 22.07-999 ?-999 ?-999 ? O1 SO4 A 202 mARG^B 26 33.63 70.96 88.89 33.43 71.02 87.91 36.03 71.33 88.34 35.85 71.01 87.18 35.00 70.94 89.42 35.36 69.57 90.01 2 0 23.54-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS^B 27 37.08 72.04 88.75 37.02 72.30 89.71 39.42 71.56 88.26 39.50 71.02 89.38 38.22 72.43 87.90 38.57 73.91 88.08 2 0 24.78-999 ?-999 ?-999 ? O1 SO4 A 202 mSER^B 28 40.36 71.42 87.33 40.27 72.05 86.55 42.68 70.81 86.70 42.61 71.27 85.57 41.42 70.41 87.46 40.89 69.08 86.92 2 0 24.93-999 ?-999 ?-999 ? O1 SO4 A 202 mGLN^B 29 43.85 70.61 87.31 43.77 70.25 88.24 45.49 69.89 85.60 45.44 68.68 85.85 45.12 70.91 86.65 46.23 71.00 87.69 2 0 27.09-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 30 45.87 70.37 84.42 45.84 71.37 84.35 47.79 69.19 83.28 48.57 69.69 84.10 46.29 69.48 83.33-999.99-999.99-999.99 1 0 25.64-999 ?-999 ?-999 ? O1 SO4 A 202 mARG.B 31 48.17 68.36 82.32 47.38 67.89 81.93 50.46 69.35 81.97 51.55 69.28 82.54 49.54 68.12 81.86 49.46 67.64 80.39 2 0 27.03-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE.B 32 50.01 70.48 81.42 49.03 70.46 81.19 50.41 72.89 81.91 49.23 73.05 82.25 50.87 71.63 81.19 50.95 71.98 79.69 3 0 29.61-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS.B 33 51.39 73.76 82.16 52.27 73.31 82.28 49.98 75.68 81.48 49.94 75.50 80.25 51.21 75.21 82.25 52.40 75.87 81.55 2 0 32.17-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU.B 34 49.01 76.30 82.14 49.13 76.33 83.13 46.79 75.84 80.95 45.88 76.19 80.20 47.87 76.86 81.40 48.35 77.68 80.18 2 0 30.57-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU^B 35 46.90 74.60 81.40 47.65 74.45 82.04 45.13 72.99 82.10 45.66 72.49 83.09 45.97 73.56 80.97 46.70 72.46 80.20 2 0 26.95-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE^B 36 43.82 73.04 81.91 43.58 73.33 80.98 41.67 71.89 82.34 41.26 72.10 81.18 42.82 72.71 82.91 42.22 73.99 83.51 3 0 24.96-999 ?-999 ?-999 ? O1 SO4 A 202 mASN^B 37 41.16 70.97 83.15 41.73 70.75 83.94 38.76 71.05 83.70 38.89 71.25 84.91 39.87 70.36 82.90 39.92 68.86 83.20 2 0 21.59-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE^B 38 37.69 71.46 83.01 37.81 71.41 82.02 35.36 70.92 83.44 34.89 70.74 82.32 36.47 71.93 83.67 36.06 73.30 83.15 3 0 21.28-999 ?-999 ?-999 ? O1 SO4 A 202 mASP^B 39 34.95 70.23 84.51 35.48 70.42 85.34 32.54 70.04 84.57 32.33 70.75 85.52 33.85 69.28 84.47 33.95 68.30 85.64 2 0 18.75-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 40 31.66 69.88 83.58 31.92 69.18 82.91 29.21 69.87 83.80 29.17 68.67 83.60 30.43 70.67 83.51 30.25 71.36 82.14 3 0 18.26-999 ?-999 ?-999 ? O1 SO4 A 202 mSER^B 41 28.18 70.60 84.18 28.34 71.58 84.08 25.83 70.71 83.85 25.96 71.86 83.40 26.95 70.09 84.67 26.79 70.59 86.11 2 0 18.19-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 42 24.74 69.96 83.68 24.85 69.00 83.96 22.44 70.02 84.09 22.28 68.82 84.30 23.51 70.50 83.14 23.26 69.97 81.72 3 0 17.92-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 43 21.75 70.99 84.69 22.03 71.92 84.44 20.92 69.54 86.57 20.08 68.62 86.62 20.69 70.73 85.63-999.99-999.99-999.99 1 0 20.31-999 ?-999 ?-999 ? O1 SO4 A 202 mSER.B 44 22.02 69.56 87.30 22.58 70.37 87.15 22.80 67.12 87.63 23.31 66.28 88.37 22.34 68.45 88.25 21.23 68.19 89.29 2 0 20.17-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS^B 45 22.60 66.93 86.32 21.94 67.57 85.92 24.73 66.27 85.08 24.94 67.43 84.72 23.30 65.85 85.55 22.46 65.45 84.32 2 0 16.33-999 ?-999 ?-999 ? O1 SO4 A 202 mPRO^B 46 25.72 65.34 85.10 25.52 64.50 85.61 26.81 65.79 82.88 26.08 65.04 82.25 27.00 65.62 84.39 27.87 64.39 84.69 3 0 14.85-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 47 27.47 66.79 82.30 28.12 67.24 82.90 28.40 66.75 80.00 28.20 66.07 79.00 27.24 67.17 80.90 27.03 68.69 80.75 3 0 13.57-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 48 29.59 67.23 80.35 29.62 67.67 81.25 31.95 67.70 80.15 31.83 68.29 81.20 30.73 67.11 79.48 30.47 67.80 78.12 3 0 13.27-999 ?-999 ?-999 ? O1 SO4 A 202 mTHR^B 49 33.13 67.53 79.54 33.08 66.94 78.74 34.87 69.20 79.03 34.75 69.02 77.82 34.37 68.16 80.02 35.46 67.10 80.21 2 0 15.74-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU^B 50 35.45 70.27 79.55 35.31 70.37 80.53 37.69 71.09 79.07 38.06 71.38 80.21 36.22 71.21 78.72 35.79 72.67 78.99 3 0 18.55-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS^B 51 38.50 70.64 78.11 38.04 70.24 77.32 40.40 72.08 77.66 40.21 72.37 76.47 39.96 70.74 78.23 40.72 69.57 77.60 2 0 20.19-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL^B 52 40.95 72.91 78.55 41.12 72.50 79.44 42.78 74.54 78.26 43.48 74.13 79.19 41.26 74.30 78.24 40.46 75.24 79.21 3 0 23.65-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE^B 53 43.30 75.14 77.20 42.68 75.21 76.42 44.62 77.17 76.99 44.17 77.65 75.96 44.66 75.66 77.21 45.54 74.94 76.18 3 0 26.63-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU.B 54 45.10 77.89 78.00 45.54 77.33 78.70 45.94 80.11 77.14 45.72 81.30 76.85 44.99 79.35 78.08 45.23 79.81 79.53 3 0 29.77-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 55 46.98 79.42 76.68 46.99 78.46 76.97 49.31 80.29 76.60 49.28 80.65 77.78 48.01 80.02 75.84-999.99-999.99-999.99 1 0 31.90-999 ?-999 ?-999 ? O1 SO4 A 202 mARG.B 56 50.43 80.03 75.94 50.30 79.37 75.20 52.19 81.27 74.93 52.95 80.68 74.17 51.74 80.64 76.24 52.76 79.61 76.75 2 0 34.94-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS.B 57 51.69 82.48 74.68 51.46 82.99 75.50 52.46 82.62 72.17 52.23 81.57 71.54 51.52 83.01 73.32 51.15 84.48 73.30 2 0 36.33-999 ?-999 ?-999 ? O1 SO4 A 202 mPRO.B 58 53.49 83.44 71.86 53.88 84.06 72.55 54.03 81.81 70.14 53.60 81.39 69.08 53.91 83.30 70.47 55.26 84.06 70.41 3 0 38.24-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR.B 59 54.55 81.06 71.11 54.77 81.61 71.92 53.50 78.75 70.91 53.41 77.94 69.98 54.78 79.61 71.08 55.49 79.23 72.39 3 0 36.30-999 ?-999 ?-999 ? O3 SO4 A 202 mTRP.B 60 52.52 78.93 71.80 52.71 79.67 72.45 50.06 79.01 71.95 49.85 79.69 72.95 51.30 78.14 71.82 51.33 77.09 72.94 3 0 32.76-999 ?-999 ?-999 ? O1 SO4 A 202 mGLN.B 61 49.23 78.96 70.92 49.57 78.40 70.16 46.92 78.92 71.75 47.08 77.73 72.01 47.97 79.66 70.90 47.52 79.84 69.44 2 0 31.53-999 ?-999 ?-999 ? O1 SO4 A 202 mPRO.B 62 45.90 79.64 72.24 45.90 80.61 72.00 43.89 78.12 72.26 43.67 78.36 71.06 44.86 79.00 73.06 44.12 80.18 73.69 3 0 28.96-999 ?-999 ?-999 ? O1 SO4 A 202 mTRP^B 63 43.35 77.11 72.94 43.66 77.07 73.89 41.53 75.56 73.43 41.90 75.55 74.60 42.41 76.16 72.36 43.13 75.04 71.55 3 0 25.22-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL^B 64 40.35 75.12 73.02 40.12 75.37 72.08 39.11 73.06 73.19 38.85 73.03 71.99 39.46 74.33 73.86 38.01 74.90 74.14 3 0 22.02-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU^B 65 38.99 72.05 74.03 39.28 72.23 74.97 37.18 70.44 74.39 37.17 70.44 75.63 38.47 70.79 73.62 39.54 69.72 73.79 2 0 18.57-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL^B 66 36.11 70.16 73.63 36.28 70.24 72.65 34.67 68.26 74.00 34.69 67.78 72.87 34.82 69.76 74.21 33.63 70.49 73.53 3 0 15.71-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE^B 67 34.57 67.51 75.09 34.53 68.02 75.95 33.84 65.48 76.25 33.43 66.22 77.17 34.54 66.07 75.00 35.97 65.52 74.80 3 0 12.59-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 68 33.67 64.16 76.23 33.95 63.72 75.37 31.68 63.70 77.46 31.20 63.83 78.58 33.13 63.40 77.32-999.99-999.99-999.99 1 0 10.44-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL.B 69 30.95 63.84 76.34 31.46 63.71 75.49 28.72 62.97 76.96 28.92 61.81 76.56 29.52 64.16 76.42 28.88 64.70 75.09 3 0 9.06-999 ?-999 ?-999 ? O1 SO4 A 202 mASN~B 70 27.83 63.26 77.90 27.68 64.24 78.05 26.13 61.63 77.68 25.23 62.32 77.25 27.13 62.25 78.65 26.49 62.88 79.88 2 0 8.34-999 ?-999 ?-999 ? O1 SO4 A 202 mPRO~B 71 26.31 60.32 77.31 27.04 59.81 77.77 23.98 59.85 76.72 23.11 60.03 75.86 25.43 59.76 76.28 25.88 58.30 76.18 3 0 5.14-999 ?-999 ?-999 ? O1 SO4 A 202 mASN~B 72 23.70 59.78 78.02 24.49 59.64 78.62 21.62 61.22 78.07 20.38 61.32 78.06 22.28 59.90 78.47 22.11 59.66 79.99 2 0 8.17-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU~B 73 22.47 62.21 77.73 23.43 61.92 77.68 22.32 64.04 76.01 22.10 65.21 75.69 22.04 63.57 77.45 22.71 64.54 78.45 3 0 9.97-999 ?-999 ?-999 ? O1 SO4 A 202 mARG~B 74 22.84 63.15 75.17 22.99 62.24 75.57 21.94 64.07 73.04 22.09 65.01 72.25 23.15 63.49 73.78 23.71 62.29 73.03 2 0 -8.28-999 ?-999 ?-999 ? O1 SO4 A 202s mASN~B 75 20.75 63.56 73.32 20.71 62.87 74.06 19.00 65.28 73.15 18.37 66.04 72.44 19.61 64.00 72.57 18.63 62.84 72.24 2 0 10.74-999 ?-999 ?-999 ? O1 SO4 A 202 mVAL~B 76 19.25 65.54 74.44 19.63 64.76 74.93 20.00 67.91 74.56 19.62 69.05 74.29 18.99 66.85 75.07 19.04 66.75 76.68 3 0 13.49-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE~B 77 21.27 67.54 74.44 21.43 66.55 74.51 22.56 68.95 72.79 22.53 70.16 72.51 22.33 68.51 74.23 23.61 68.11 74.96 3 0 13.23-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE~B 78 22.74 68.00 71.87 22.65 67.07 72.22 21.91 69.04 69.72 20.79 68.55 69.73 23.06 68.36 70.46 23.62 67.14 69.70 3 0 13.00-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 79 22.20 70.17 69.09 23.17 70.40 69.10 20.36 71.86 69.39 19.32 72.37 69.01 21.19 71.00 68.43-999.99-999.99-999.99 1 0 16.51-999 ?-999 ?-999 ? O1 SO4 A 202 mSER~B 80 20.82 71.99 70.65 21.70 71.55 70.81 20.60 74.16 71.84 21.66 74.50 71.31 20.08 72.72 71.70 20.17 71.98 73.06 2 0 17.94-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU~B 81 19.83 74.99 72.55 18.93 74.60 72.77 21.40 76.31 74.00 22.29 77.16 74.00 20.25 76.34 72.96 19.05 77.15 73.43 2 0 21.23-999 ?-999 ?-999 ? O1 SO4 A 202 mALA~B 82 21.36 75.29 74.87 20.51 74.76 74.85 23.82 74.86 75.02 24.77 75.54 75.38 22.46 74.99 75.77 22.15 73.76 76.57 2 0 19.53-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU~B 83 23.87 74.03 73.98 23.03 73.49 73.87 25.43 75.19 72.36 26.60 75.52 72.33 25.03 73.91 73.08 24.78 72.82 72.04 2 0 17.81-999 ?-999 ?-999 ? O1 SO4 A 202 mARG~B 84 24.46 75.91 71.77 23.59 75.43 71.73 25.32 78.24 72.24 26.25 78.96 71.88 24.69 77.28 71.25 23.37 77.95 70.84 2 0 21.26-999 ?-999 ?-999 ? O1 SO4 A 202 mLYS~B 85 24.76 78.32 73.45 23.98 77.70 73.56 26.69 78.82 74.85 27.61 79.64 74.84 25.27 79.23 74.50 24.35 79.28 75.74 2 0 23.14-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU~B 86 26.89 77.52 75.09 26.05 76.97 75.13 29.26 77.41 74.22 30.34 77.94 74.56 28.23 76.99 75.29 28.20 75.46 75.48 3 0 20.95-999 ?-999 ?-999 ? O1 SO4 A 202 mTYR~B 87 28.95 77.18 72.94 28.04 76.81 72.80 30.17 78.97 71.66 31.27 79.35 71.28 29.92 77.48 71.86 29.49 76.87 70.53 3 0 21.50-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU~B 88 29.13 79.78 71.92 28.30 79.25 72.10 30.10 81.74 73.03 31.00 82.54 72.78 29.14 81.23 71.95 27.73 81.70 72.32 2 0 25.14-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE~B 89 29.89 81.26 74.25 29.06 80.70 74.35 32.23 81.21 74.94 33.08 82.09 75.00 30.77 81.53 75.35 30.28 80.77 76.59 3 0 25.72-999 ?-999 ?-999 ? O1 SO4 A 202 mLEU~B 90 32.50 80.00 74.48 31.70 79.41 74.39 34.44 80.36 72.93 35.64 80.63 72.81 33.88 79.58 74.15 33.94 78.08 73.91 3 0 24.40-999 ?-999 ?-999 ? O1 SO4 A 202 mSER~B 91 33.53 80.72 72.04 32.61 80.39 72.24 34.55 82.86 71.26 35.37 83.36 70.49 33.85 81.53 70.89 32.56 81.82 70.14 2 0 26.31-999 ?-999 ?-999 ? O1 SO4 A 202 mGLU~B 92 34.21 83.42 72.42 33.58 82.88 72.97 36.08 84.64 73.57 36.66 85.65 73.93 34.74 84.72 72.82 33.68 85.58 73.56 2 0 29.55-999 ?-999 ?-999 ? O1 SO4 A 202 mHIS.B 93 36.58 83.43 73.79 36.01 82.68 73.44 38.81 82.31 73.75 39.96 82.17 74.20 37.83 83.23 74.50 37.56 82.67 75.89 3 0 29.16-999 ?-999 ?-999 ? O1 SO4 A 202 mPHE.B 94 38.37 81.69 72.64 37.43 81.92 72.40 39.13 80.91 70.32 38.05 81.03 69.73 39.21 80.77 71.87 38.95 79.32 72.29 3 0 27.45-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 95 40.30 80.87 69.69 41.09 80.77 70.29 40.52 79.60 67.60 40.34 79.46 66.38 40.42 80.96 68.24-999.99-999.99-999.99 1 0 28.55-999 ?-999 ?-999 ? O1 SO4 A 202 mARG^B 96 40.77 78.59 68.42 40.92 78.88 69.37 39.89 76.38 68.87 39.87 76.50 70.09 40.84 77.19 68.00 42.28 76.70 68.10 2 0 25.52-999 ?-999 ?-999 ? O3 SO4 A 202 mILE^B 97 39.04 75.56 68.25 39.07 75.64 67.25 38.27 73.20 68.47 38.50 73.02 67.25 38.17 74.64 69.03 36.69 75.16 69.08 3 0 21.88-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE^B 98 38.17 72.21 69.36 38.26 72.54 70.30 36.67 70.40 69.69 36.49 70.60 70.93 37.95 70.80 69.02 39.06 69.87 69.56 3 0 18.51-999 ?-999 ?-999 ? O3 SO4 A 202 mVAL^B 99 35.74 69.84 68.92 35.90 69.87 67.93 34.53 67.76 69.11 34.57 67.45 67.93 34.59 69.22 69.53 33.27 69.97 69.18 3 0 15.41-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU^B 100 34.39 66.88 70.10 34.51 67.26 71.02 32.67 65.29 69.32 31.71 65.75 69.95 34.11 65.49 69.85 34.39 64.67 71.11 2 0 11.91-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR.B 101 32.52 64.64 68.15 33.36 64.29 67.75 30.55 63.10 67.65 29.48 62.89 67.11 31.18 64.50 67.56 31.14 64.97 66.09 3 0 10.14-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE.B 102 31.22 62.19 68.35 31.97 62.56 68.89 29.47 60.55 68.83 28.75 59.73 68.28 30.90 60.79 68.36 31.92 60.03 69.24 3 0 -6.62-999 ?-999 ?-999 ? O3 SO4 A 202s mGLU.B 103 29.06 61.31 69.84 29.74 61.96 70.16 26.65 61.88 69.58 25.48 61.62 69.79 27.71 61.17 70.40 27.67 61.66 71.86 2 0 -5.61-999 ?-999 ?-999 ? O1 SO4 A 202s mASP~B 104 27.07 62.74 68.64 28.07 62.81 68.60 25.91 62.76 66.43 26.79 62.70 65.53 26.17 63.51 67.76 26.83 64.86 67.50 2 0 8.62-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 105 24.71 62.17 66.32 24.04 62.47 67.01 24.22 61.84 63.91 24.62 61.29 62.88 24.42 61.18 65.27 23.20 60.31 65.61 2 0 8.47-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 106 23.56 62.99 63.93 23.21 63.21 64.84 24.66 64.30 62.11 24.87 64.07 60.91 23.35 63.85 62.76 22.40 65.06 63.08 2 0 12.27-999 ?-999 ?-999 ? O3 SO4 A 202 mTHR~B 107 25.54 64.93 62.87 25.20 65.16 63.78 27.68 64.00 61.89 28.34 64.02 60.83 26.89 65.24 62.37 27.74 65.97 63.43 2 0 12.82-999 ?-999 ?-999 ? O3 SO4 A 202 mTHR~B 108 27.63 62.94 62.68 27.12 63.10 63.53 27.82 61.18 60.97 28.63 61.05 60.05 28.26 61.66 62.35 28.00 60.63 63.48 2 0 10.38-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR~B 109 26.52 60.94 60.84 26.01 61.05 61.70 26.29 61.45 58.38 26.55 60.94 57.30 25.90 60.57 59.60 24.39 60.62 59.83 3 0 12.32-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 110 26.25 62.78 58.56 26.01 63.05 59.49 27.98 63.69 57.06 28.23 63.69 55.84 26.54 63.74 57.50 26.23 65.14 57.99 2 0 15.58-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 111 28.92 63.63 58.01 28.56 63.76 58.94 30.58 62.09 56.98 31.26 62.07 55.99 30.33 63.41 57.72 31.24 63.48 58.98 3 0 15.43-999 ?-999 ?-999 ? O3 SO4 A 202 mGLN~B 112 30.05 60.99 57.49 29.62 61.15 58.38 29.62 59.73 55.33 30.20 59.14 54.44 30.10 59.67 56.81 29.24 58.70 57.61 2 0 14.71-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 113 28.56 60.49 55.11 28.13 60.82 55.95 28.86 61.76 52.91 28.54 61.93 51.76 28.05 60.81 53.78 26.64 61.35 53.93 2 0 17.73-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.B 114 29.89 62.42 53.43 30.02 62.27 54.41 30.47 64.77 52.70 31.06 65.55 51.95 30.74 63.28 52.59-999.99-999.99-999.99 1 0 19.94-999 ?-999 ?-999 ? O3 SO4 A 202 mVAL.B 115 29.58 65.17 53.60 29.15 64.42 54.11 30.53 67.29 54.29 31.25 66.79 55.14 29.24 66.56 53.84 28.04 66.71 54.88 3 0 20.22-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO~B 116 30.82 68.49 53.71 30.24 68.78 52.95 31.82 69.49 55.77 30.71 69.78 56.23 31.98 69.24 54.27 31.99 70.54 53.49 3 0 21.84-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO~B 117 32.90 69.32 56.54 33.71 68.98 56.06 32.18 70.90 58.39 31.42 70.88 59.34 32.88 69.61 57.99 34.35 69.64 58.36 3 0 19.69-999 ?-999 ?-999 ? O3 SO4 A 202 mALA~B 118 32.42 72.02 57.70 33.02 71.89 56.91 30.35 73.34 57.85 29.67 74.17 58.44 31.85 73.30 58.07 32.52 74.43 57.29 2 0 22.21-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 119 29.85 72.46 56.98 30.53 71.84 56.59 27.66 71.28 57.29 26.49 71.07 56.97 28.43 72.42 56.63 28.28 72.36 55.11 3 0 22.00-999 ?-999 ?-999 ? O3 SO4 A 202 mSER~B 120 28.33 70.54 58.19 29.29 70.80 58.27 26.99 70.19 60.08 27.31 71.34 60.30 27.72 69.47 58.99 28.81 68.53 59.54 2 0 18.21-999 ?-999 ?-999 ? O3 SO4 A 202 mARG~B 121 26.00 69.58 60.73 25.81 68.66 60.40 26.17 71.02 62.84 25.96 72.19 63.11 25.26 70.25 61.84 24.38 69.21 62.64 2 0 17.34-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 122 27.16 70.32 63.39 27.20 69.37 63.08 29.08 71.85 63.76 29.25 72.92 64.28 28.10 70.88 64.35 28.84 69.76 65.11 3 0 16.62-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY~B 123 29.76 71.47 62.68 29.61 70.52 62.44 29.99 73.73 61.61 30.60 74.78 61.82 30.62 72.38 61.94-999.99-999.99-999.99 1 0 19.23-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE~B 124 28.76 73.68 61.09 28.43 72.75 60.93 27.70 75.81 61.99 27.71 77.04 61.82 27.95 74.86 60.79 26.62 74.45 60.13 3 0 21.72-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 125 27.46 75.25 63.17 27.31 74.26 63.12 28.67 76.79 64.73 28.61 77.89 65.23 27.40 76.03 64.42 27.12 75.12 65.61 2 0 21.43-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 126 29.81 76.17 64.49 29.67 75.21 64.22 31.35 77.86 63.52 31.91 78.91 63.78 31.13 76.81 64.61 32.25 75.74 64.59 3 0 22.40-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 127 30.89 77.57 62.32 30.49 76.65 62.25 30.24 79.81 61.49 30.73 80.91 61.17 30.98 78.51 61.19 30.41 77.86 59.92 3 0 25.09-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 128 29.07 79.70 62.10 28.80 78.76 62.32 29.01 81.79 63.40 28.82 83.01 63.39 28.27 80.88 62.43 26.91 80.49 62.97 2 0 26.67-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 129 29.88 81.18 64.20 29.97 80.20 64.05 32.02 82.40 64.75 32.82 82.82 65.57 30.64 81.92 65.21 30.77 81.06 66.44 3 0 27.09-999 ?-999 ?-999 ? O1 SO4 A 202 mGLY.B 130 32.31 82.31 63.46 31.62 81.85 62.91 34.70 81.89 62.67 35.70 82.29 62.07 33.56 82.85 62.93-999.99-999.99-999.99 1 0 29.02-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR.B 131 34.58 80.63 63.10 33.75 80.45 63.63 35.44 79.21 61.36 34.32 78.88 60.97 35.61 79.60 62.81 35.42 78.38 63.70 3 0 26.56-999 ?-999 ?-999 ? O3 SO4 A 202 mTHR.B 132 36.51 79.28 60.56 37.38 79.42 61.03 37.28 78.10 58.51 37.06 77.64 57.36 36.38 79.17 59.09 36.65 80.52 58.30 2 0 27.76-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR^B 133 38.30 77.72 59.26 38.44 78.30 60.07 38.68 75.30 59.67 38.58 75.35 60.89 39.14 76.56 58.92 40.65 76.82 59.18 3 0 26.72-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE^B 134 38.42 74.20 58.94 38.62 74.33 57.97 38.74 71.67 59.19 39.17 71.43 58.08 37.90 72.94 59.49 36.45 72.73 59.04 3 0 23.12-999 ?-999 ?-999 ? O3 SO4 A 202 mARG^B 135 39.02 70.87 60.21 38.84 71.25 61.12 38.66 68.49 60.68 38.26 68.64 61.83 39.54 69.56 59.97 41.01 69.45 60.40 2 0 21.31-999 ?-999 ?-999 ? O3 SO4 A 202 mASP^B 136 38.34 67.43 59.94 38.66 67.49 59.00 38.60 65.21 60.82 39.33 64.73 59.97 37.58 66.31 60.46 36.56 65.84 59.41 2 0 17.90-999 ?-999 ?-999 ? O3 SO4 A 202 mTRP^B 137 38.66 64.88 62.09 38.15 65.46 62.71 38.49 62.56 62.68 37.44 62.63 63.35 39.43 63.75 62.52 40.07 64.03 63.85 3 0 16.56-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE^B 138 38.88 61.46 62.06 39.71 61.55 61.52 39.11 59.13 62.35 39.40 58.40 61.42 38.13 60.25 62.15 37.15 60.03 60.96 3 0 14.35-999 ?-999 ?-999 ? O3 SO4 A 202 mILE.B 139 39.66 59.01 63.55 39.42 59.72 64.21 39.83 56.75 64.58 38.98 57.00 65.40 40.55 57.90 63.82 42.06 58.28 64.31 3 0 14.84-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO.B 140 40.12 55.49 64.24 40.84 55.34 63.57 39.53 54.44 66.42 40.67 54.50 66.90 39.34 54.45 64.89 39.86 53.15 64.24 3 0 13.13-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU.B 141 38.42 54.45 67.18 37.57 54.67 66.71 38.90 52.67 68.46 38.55 52.03 67.46 38.52 54.16 68.61 37.18 54.29 69.33 2 0 11.19-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.B 142 39.64 52.06 69.32 39.84 52.51 70.19 41.55 50.85 68.66 42.29 50.07 69.25 40.07 50.75 68.82-999.99-999.99-999.99 1 0 13.26-999 ?-999 ?-999 ? O2 SO4 A 202 mLEU.B 143 41.99 51.83 67.88 41.26 52.27 67.35 43.76 53.25 68.93 44.75 53.03 69.71 43.37 52.25 67.81 43.70 52.80 66.41 3 0 16.36-999 ?-999 ?-999 ? O3 SO4 A 202 mMETB 144 42.96 54.31 69.04 42.16 54.29 68.43 41.87 56.03 70.23 41.16 56.46 69.32 43.21 55.41 69.95 44.14 56.43 69.27 2 0 15.62-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU.B 145 41.50 56.06 71.51 42.16 55.64 72.13 40.28 58.17 71.75 41.35 58.77 71.79 40.24 56.65 71.94 39.97 56.30 73.40 2 0 12.73-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.B 146 39.14 58.79 71.54 38.34 58.19 71.47 39.50 60.85 70.09 39.81 62.02 70.02 39.10 60.25 71.42-999.99-999.99-999.99 1 0 12.44-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.B 147 39.46 60.08 69.01 39.18 59.13 69.19 38.70 60.90 66.67 38.98 60.89 65.49 39.80 60.63 67.69-999.99-999.99-999.99 1 0 13.54-999 ?-999 ?-999 ? O3 SO4 A 202 mHIS^B 148 37.46 61.12 67.13 37.39 60.91 68.11 35.92 63.03 66.70 34.92 63.24 67.42 36.32 61.62 66.30 35.12 60.66 66.32 3 0 11.50-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS^B 149 36.71 63.98 66.23 37.39 63.63 65.59 36.56 66.28 65.35 37.22 66.01 64.35 36.63 65.39 66.60 37.86 65.78 67.42 2 0 13.97-999 ?-999 ?-999 ? O3 SO4 A 202 mILE^B 150 35.78 67.35 65.43 35.06 67.30 66.12 36.99 69.50 65.18 36.81 69.90 66.33 36.01 68.49 64.53 34.67 69.20 64.12 3 0 16.63-999 ?-999 ?-999 ? O3 SO4 A 202 mGLN^B 151 38.03 69.89 64.44 38.15 69.37 63.59 38.51 72.19 63.97 38.33 72.07 62.75 38.90 70.98 64.82 40.35 70.54 64.56 2 0 20.01-999 ?-999 ?-999 ? O3 SO4 A 202 mALA^B 152 38.31 73.34 64.62 38.45 73.29 65.61 38.72 75.75 64.38 39.03 75.88 65.60 37.90 74.55 63.90 36.40 74.82 64.07 2 0 22.67-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU^B 153 39.01 76.64 63.45 38.63 76.43 62.55 39.34 79.07 63.03 38.87 79.00 61.88 39.82 77.82 63.72 41.27 77.57 63.31 2 0 26.35-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS.B 154 39.51 80.21 63.74 39.81 80.07 64.68 40.37 81.92 62.18 41.52 81.52 62.35 39.26 81.55 63.16 39.11 82.63 64.25 2 0 29.48-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO.B 155 40.01 82.67 61.11 39.04 82.89 61.05 42.01 84.11 60.75 41.60 85.00 61.49 41.05 83.11 60.14 40.23 83.76 59.03 3 0 32.44-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS.B 156 43.30 83.93 60.46 43.47 83.15 59.86 44.24 86.19 60.35 44.53 87.20 60.99 44.36 84.81 60.97 45.74 84.23 60.62 2 0 35.10-999 ?-999 ?-999 ? O3 SO4 A 202 mTHR~B 157 43.82 86.21 59.08 43.45 85.33 58.78 42.58 87.48 57.40 41.81 86.53 57.39 43.89 87.40 58.22 45.17 87.34 57.27 2 0 37.90-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 158 42.34 88.59 56.71 42.94 89.36 56.92 41.60 87.79 54.50 40.74 87.46 53.69 41.24 88.63 55.73 40.87 90.07 55.33 2 0 38.80-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 159 42.89 87.45 54.38 43.47 87.78 55.12 43.16 85.17 53.47 42.74 84.48 52.53 43.39 86.66 53.26 44.89 86.91 53.03 2 0 39.01-999 ?-999 ?-999 ? O3 SO4 A 202 mALA~B 160 43.47 84.68 54.67 43.86 85.35 55.31 41.75 83.03 54.98 41.30 82.01 54.46 43.26 83.29 55.00 43.86 82.96 56.35 2 0 35.52-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 161 40.97 83.98 55.51 41.47 84.77 55.86 38.86 83.69 54.18 37.92 82.91 54.02 39.51 83.88 55.55 38.90 85.12 56.20 2 0 34.27-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 162 39.35 84.45 53.21 40.05 85.09 53.53 39.29 82.99 51.20 38.51 82.40 50.45 38.93 84.36 51.82 39.61 85.49 51.03 2 0 36.27-999 ?-999 ?-999 ? O3 SO4 A 202 mARG~B 163 40.49 82.51 51.52 41.05 83.11 52.09 40.14 80.04 51.69 39.75 79.13 50.97 40.95 81.21 51.08 42.44 81.07 51.38 2 0 34.96-999 ?-999 ?-999 ? O3 SO4 A 202 mHIS~B 164 39.91 80.08 53.01 40.38 80.81 53.49 37.63 79.06 52.99 37.11 77.98 52.80 39.02 79.12 53.66 38.83 79.43 55.17 3 0 31.26-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 165 37.04 80.19 52.63 37.59 81.01 52.80 35.62 79.74 50.60 34.57 79.21 50.17 35.70 80.20 52.04 35.04 81.57 52.14 3 0 31.97-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 166 36.72 79.98 49.87 37.41 80.50 50.36 36.99 78.01 48.50 36.36 77.36 47.69 36.90 79.53 48.48 38.16 80.18 47.85 2 0 34.00-999 ?-999 ?-999 ? O3 SO4 A 202 mASN~B 167 37.78 77.45 49.42 38.29 78.09 49.99 36.48 75.37 49.92 36.10 74.32 49.38 37.85 75.99 49.56 38.91 75.59 50.56 2 0 31.15-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 168 35.74 76.04 50.81 36.18 76.86 51.18 33.43 75.59 50.05 32.67 74.62 49.91 34.41 75.61 51.21 33.88 76.44 52.38 3 0 28.79-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 169 33.47 76.62 49.21 34.05 77.38 49.51 33.03 75.40 47.06 32.11 74.74 46.59 32.71 76.63 47.96 32.86 77.99 47.21 2 0 31.44-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 170 34.31 75.09 46.86 34.94 75.75 47.28 34.21 72.59 46.66 33.58 71.80 45.94 34.73 73.90 46.10 36.27 73.81 46.01 2 0 31.52-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 171 34.51 72.37 47.95 35.13 73.05 48.33 32.49 71.06 48.63 32.02 69.95 48.49 33.99 71.23 48.72 34.36 71.36 50.19 2 0 27.75-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE~B 172 31.73 72.15 48.70 32.26 72.98 48.87 29.87 71.69 47.12 28.97 70.85 46.96 30.28 72.13 48.55 29.70 73.52 48.92 3 0 27.81-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 173 30.57 72.22 46.11 31.26 72.88 46.40 30.60 70.40 44.47 29.88 69.77 43.70 30.33 71.87 44.72 31.18 72.72 43.78 2 0 30.82-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 174 31.61 69.86 45.14 32.11 70.50 45.71 30.90 67.53 45.68 30.58 66.48 45.13 31.94 68.43 45.03 33.32 68.15 45.64 2 0 29.06-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE~B 175 30.44 67.91 46.88 30.93 68.68 47.28 28.01 67.14 46.70 27.46 66.05 46.54 29.31 67.25 47.55 29.03 67.89 48.90 3 0 26.01-999 ?-999 ?-999 ? O3 SO4 A 202 mILE~B 176 27.51 68.26 46.17 27.94 69.09 46.53 27.04 67.47 44.08 28.18 67.70 43.72 26.43 68.26 45.17 26.25 69.68 44.55 3 0 28.55-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY~B 177 26.38 66.51 43.50 25.44 66.34 43.77 27.65 64.44 42.94 27.51 63.48 42.18 27.22 65.81 42.49-999.99-999.99-999.99 1 0 30.04-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 178 28.14 64.36 44.17 28.35 65.24 44.58 27.05 62.64 45.58 26.69 61.47 45.62 28.35 63.07 44.84 29.50 63.21 45.85 2 0 26.95-999 ?-999 ?-999 ? O3 SO4 A 202 mCYH~B 179 26.35 63.62 46.17 26.70 64.54 46.02 24.00 62.63 46.18 23.65 63.05 45.07 25.16 63.32 46.96 24.67 64.57 47.66 2 0 25.11-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU.B 180 23.42 61.59 46.79 23.79 61.43 47.70 20.99 60.98 46.88 19.98 60.40 46.47 22.35 60.76 46.23 22.72 59.27 46.38 2 0 25.57-999 ?-999 ?-999 ? O3 SO4 A 202 mASP~B 181 20.93 61.82 47.88 21.77 62.34 48.04 19.30 63.39 48.71 20.02 64.20 49.31 19.70 61.95 48.66 19.94 61.40 50.07 2 0 24.29-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 182 18.18 63.74 48.07 17.67 62.97 47.67 17.51 65.87 49.31 17.75 67.08 49.42 17.76 65.13 47.97 16.59 65.28 47.01 2 0 26.57-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY~B 183 17.08 65.13 50.33 16.92 64.17 50.14 18.14 66.24 52.28 18.09 67.21 53.02 16.87 65.74 51.62-999.99-999.99-999.99 1 0 24.16-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 184 19.26 65.56 52.05 19.13 64.79 51.44 21.14 67.12 51.89 21.76 68.02 52.47 20.57 65.91 52.64 21.56 64.71 52.49 3 0 21.99-999 ?-999 ?-999 ? O3 SO4 A 202 mILE~B 185 20.91 67.10 50.59 20.46 66.25 50.29 20.56 69.50 50.04 21.19 70.54 50.13 21.27 68.17 49.67 21.07 67.66 48.18 3 0 25.34-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 186 19.27 69.44 50.30 18.88 68.52 50.23 19.02 71.28 51.96 19.12 72.48 52.05 18.51 70.65 50.65 17.00 70.37 50.72 2 0 26.71-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 187 19.34 70.44 52.94 19.21 69.48 52.70 21.19 71.51 54.19 21.42 72.50 54.85 19.82 70.85 54.24 19.88 69.64 55.17 2 0 23.80-999 ?-999 ?-999 ? O3 SO4 A 202 mVAL~B 188 22.11 70.91 53.43 21.81 70.02 53.09 23.22 72.78 52.31 23.92 73.75 52.59 23.41 71.47 53.12 24.33 70.36 52.43 3 0 24.10-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~B 189 22.28 72.81 51.34 21.77 71.96 51.23 21.73 75.18 51.49 22.29 76.28 51.39 22.05 74.03 50.52 20.90 73.94 49.49 2 0 27.93-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 190 20.84 74.90 52.42 20.57 73.94 52.47 21.32 76.43 54.35 21.25 77.55 54.74 20.31 75.92 53.30 18.94 75.45 53.85 2 0 27.78-999 ?-999 ?-999 ? O3 SO4 A 202 mARG~B 191 22.27 75.59 54.75 22.13 74.65 54.45 24.39 76.91 54.75 24.90 77.93 55.23 23.42 76.03 55.56 24.14 74.82 56.24 2 0 25.83-999 ?-999 ?-999 ? O3 SO4 A 202 mTYR~B 192 24.65 76.47 53.52 24.22 75.61 53.27 24.90 78.57 52.21 25.64 79.55 52.08 25.49 77.20 52.62 25.84 76.34 51.40 3 0 28.30-999 ?-999 ?-999 ? O3 SO4 A 202 mASN~B 193 23.58 78.61 52.03 23.13 77.72 52.12 22.98 80.84 52.86 23.13 82.02 52.59 22.85 79.84 51.73 21.36 79.59 51.51 2 0 31.20-999 ?-999 ?-999 ? O3 SO4 A 202 mPHE~B 194 22.91 80.36 54.11 22.67 79.39 54.18 24.50 81.90 55.14 24.55 83.13 55.09 23.15 81.21 55.28 23.09 80.46 56.61 3 0 30.28-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU~B 195 25.57 81.10 55.10 25.35 80.12 55.18 27.03 82.72 53.88 27.66 83.74 54.11 26.92 81.61 54.93 27.91 80.46 54.67 3 0 30.48-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU~B 196 26.37 82.55 52.74 25.82 81.72 52.70 25.88 84.90 51.96 25.70 85.71 51.05 26.45 83.51 51.65 25.78 82.96 50.38 2 0 33.87-999 ?-999 ?-999 ? O3 SO4 A 202 mHIS.B 197 25.59 85.16 53.24 25.58 84.34 53.82 26.23 86.90 54.97 26.86 87.99 55.00 25.31 86.51 53.77 23.84 86.66 54.15 3 0 35.37-999 ?-999 ?-999 ? O3 SO4 A 202 mVAL.C 2 70.13 42.31 79.21 70.87 41.67 79.01 69.07 43.80 80.96 69.09 43.02 81.94 69.01 43.27 79.50 67.63 42.63 79.19 3 0 6.79-999 ?-999 ?-999 ? SE SE C 203 mLYS.C 3 69.10 45.13 81.10 68.77 45.65 80.32 68.98 47.04 82.87 69.51 48.14 82.67 69.61 45.74 82.35 71.13 45.94 82.27 2 0 5.26-999 ?-999 ?-999 ? SE SE C 203 mTYR.C 4 67.86 46.91 83.58 67.22 46.20 83.30 68.50 47.10 85.77 68.87 45.92 85.58 67.68 47.81 84.70 66.20 48.11 85.01 3 0 4.39-999 ?-999 ?-999 ? SE SE C 203s mGLU~C 5 68.88 47.81 86.83 68.35 48.64 86.97 71.11 48.29 87.37 71.59 49.02 88.24 69.97 47.36 87.69 70.40 45.92 87.40 2 0 5.92-999 ?-999 ?-999 ? SE SE C 203 mGLU~C 6 71.53 48.28 86.11 71.13 47.55 85.54 71.90 50.65 85.54 72.57 51.64 85.85 72.50 49.24 85.61 73.05 48.83 84.26 2 0 8.60-999 ?-999 ?-999 ? SE SE C 203 mLEU~C 7 70.63 50.72 85.14 70.24 49.85 84.85 69.51 52.41 86.54 69.57 53.60 86.88 69.89 51.97 85.13 68.62 51.83 84.28 3 0 9.05-999 ?-999 ?-999 ? SE SE C 203 mLEU~C 8 69.14 51.42 87.35 69.15 50.52 86.91 69.88 52.04 89.67 69.69 52.91 90.54 68.73 51.63 88.74 68.05 50.39 89.30 3 0 8.91-999 ?-999 ?-999 ? SE SE C 203 mLYS~C 9 71.04 51.40 89.49 71.02 50.71 88.77 72.62 53.15 90.16 72.92 53.81 91.17 72.23 51.69 90.29 73.39 50.77 89.90 2 0 11.23-999 ?-999 ?-999 ? SE SE C 203 mTHR~C 10 72.60 53.67 88.93 72.31 53.02 88.23 71.93 56.08 89.19 72.28 57.22 89.52 72.96 55.07 88.65 73.11 55.30 87.12 2 0 13.66-999 ?-999 ?-999 ? SE SE C 203 mLEU~C 11 70.67 55.66 89.31 70.55 54.67 89.29 69.30 57.06 90.88 69.09 58.25 91.13 69.58 56.63 89.44 68.30 56.12 88.74 3 0 13.86-999 ?-999 ?-999 ? SE SE C 203 mGLU~C 12 69.26 56.10 91.81 69.24 55.17 91.45 70.71 56.34 93.68 71.40 55.37 93.36 69.26 56.44 93.23 68.26 55.58 94.04 2 0 15.16-999 ?-999 ?-999 ? SE SE C 203 mASN.C 13 71.15 57.33 94.46 70.45 57.70 95.06 72.62 58.53 93.07 73.00 57.96 92.04 72.55 57.82 94.42 73.65 56.75 94.73 2 0 17.90-999 ?-999 ?-999 ? SE SE C 203 mGLY.C 14 72.16 59.77 93.10 72.23 60.21 94.00 72.56 60.90 90.86 73.62 60.31 90.65 71.61 60.44 91.93-999.99-999.99-999.99 1 0 18.69-999 ?-999 ?-999 ? SE SE C 203 mILE.C 15 72.16 61.96 90.17 71.29 62.34 90.46 73.34 63.93 89.37 72.50 64.83 89.43 72.96 62.50 89.08 72.31 62.32 87.64 3 0 20.25-999 ?-999 ?-999 ? SE SE C 203 mASN.C 16 74.64 64.06 89.60 75.06 63.17 89.78 74.72 66.62 89.36 73.81 66.98 90.11 75.44 65.29 89.62 76.60 65.11 88.61 2 0 23.83-999 ?-999 ?-999 ? SE SE C 203 mSER.C 17 75.17 67.35 88.33 75.96 66.93 87.89 74.63 69.83 88.86 74.39 69.72 90.06 74.58 68.63 87.89 73.15 68.42 87.39 2 0 26.35-999 ?-999 ?-999 ? SE SE C 203 mGLU.C 18 74.88 71.00 88.26 75.05 70.89 87.28 73.55 72.89 89.30 73.46 73.86 90.06 74.93 72.30 88.92 75.77 73.27 88.05 2 0 30.02-999 ?-999 ?-999 ? SE SE C 203 mGLU.C 19 72.48 72.31 88.79 72.66 71.50 88.23 70.42 72.18 90.21 69.27 72.51 90.52 71.15 72.87 89.05 70.29 72.87 87.78 2 0 29.62-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 20 71.11 71.25 90.85 72.06 71.17 90.54 70.81 69.02 91.52 71.15 68.74 90.37 70.54 70.44 91.90-999.99-999.99-999.99 1 0 27.71-999 ?-999 ?-999 ? SE SE C 203 mGLU.C 21 70.66 68.11 92.46 70.46 68.47 93.37 69.52 66.17 91.46 68.42 66.71 91.67 70.78 66.70 92.15 71.08 65.88 93.41 2 0 24.27-999 ?-999 ?-999 ? SE SE C 203 mILE^C 22 69.71 65.13 90.64 70.67 64.90 90.49 68.53 63.06 90.75 69.52 62.37 90.88 68.61 64.40 90.04 68.83 64.22 88.50 3 0 21.12-999 ?-999 ?-999 ? SE SE C 202 mARG^C 23 67.34 62.70 91.23 66.61 63.37 91.08 65.84 60.74 91.59 64.88 61.40 91.17 67.17 61.42 91.92 67.29 61.58 93.45 2 0 18.60-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 24 65.80 59.44 91.81 66.70 59.05 92.04 63.59 59.00 92.85 63.98 59.53 93.89 64.60 58.63 91.74 65.00 57.16 91.86 3 0 15.62-999 ?-999 ?-999 ? SE SE C 202 mVAL^C 25 62.31 58.74 92.60 62.14 58.39 91.67 60.36 57.69 93.59 60.47 56.89 94.51 61.24 58.96 93.57 60.42 60.28 93.32 3 0 16.85-999 ?-999 ?-999 ? SE SE C 202 mARG^C 26 59.52 57.51 92.57 59.45 58.29 91.95 59.38 55.32 91.31 60.36 55.67 90.66 58.78 56.24 92.40 57.31 56.53 92.10 2 0 14.51-999 ?-999 ?-999 ? SE SE C 202 mLYS^C 27 58.75 54.16 91.11 57.94 54.05 91.69 58.13 52.03 90.03 57.79 51.40 91.03 59.18 53.15 90.14 60.55 52.59 90.55 2 0 10.78-999 ?-999 ?-999 ? SE SE C 202 mSER.C 28 57.61 51.79 88.82 58.03 52.33 88.09 56.77 49.83 87.44 57.87 49.80 86.88 56.52 50.82 88.61 55.17 51.54 88.46 2 0 9.86-999 ?-999 ?-999 ? SE SE C 202 mGLN.C 29 55.76 49.01 87.11 54.95 49.14 87.68 54.79 48.39 84.98 53.60 48.43 85.29 55.83 48.03 86.02 55.57 46.61 86.57 2 0 8.25-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 30 55.24 48.65 83.74 56.21 48.43 83.61 53.44 48.20 82.06 53.20 47.14 82.62 54.39 49.21 82.69-999.99-999.99-999.99 1 0 10.26-999 ?-999 ?-999 ? SE SE C 202 mARG.C 31 52.91 48.54 80.89 53.22 49.43 80.55 52.58 46.35 79.76 51.90 45.32 79.76 51.97 47.68 80.16 51.42 48.38 78.90 2 0 12.66-999 ?-999 ?-999 ? SE SE C 202 mPHE.C 32 53.87 46.38 79.41 54.28 47.28 79.52 55.76 44.85 79.84 56.29 45.73 80.53 54.60 45.20 78.92 55.08 45.42 77.47 3 0 10.59-999 ?-999 ?-999 ? SE SE C 202 mLYS.C 33 56.12 43.57 79.86 55.64 43.04 79.16 58.40 43.80 80.97 58.97 43.83 82.07 57.11 42.99 80.79 57.44 41.55 80.36 2 0 7.62-999 ?-999 ?-999 ? SE SE C 202 mGLU.C 34 58.83 44.46 79.89 58.24 44.37 79.09 59.89 46.77 80.02 60.84 47.53 79.79 60.07 45.25 79.90 60.97 44.88 78.69 2 0 6.04-999 ?-999 ?-999 ? SE SE C 202 mGLU^C 35 58.70 47.22 80.42 58.06 46.49 80.67 58.25 49.09 81.91 57.69 48.36 82.73 58.38 48.65 80.46 57.08 48.95 79.70 2 0 7.78-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 36 58.76 50.28 82.22 59.12 50.79 81.44 58.67 52.32 83.60 59.08 52.96 82.64 58.77 50.80 83.60 60.07 50.41 84.32 3 0 -7.77-999 ?-999 ?-999 ? SE SE C 202s mASN^C 37 58.11 52.89 84.67 57.68 52.26 85.31 59.04 54.82 86.00 58.84 54.43 87.15 58.15 54.35 84.85 56.76 54.95 84.96 2 0 11.01-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 38 60.05 55.64 85.68 60.10 55.84 84.70 60.61 57.64 86.92 60.80 58.49 86.05 60.97 56.18 86.67 62.44 56.11 86.18 3 0 11.91-999 ?-999 ?-999 ? SE SE C 202 mASP^C 39 60.10 57.92 88.12 59.91 57.12 88.69 61.08 59.93 89.13 61.80 59.31 89.91 59.84 59.29 88.54 58.67 59.34 89.50 2 0 15.49-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 40 61.35 61.17 88.74 60.61 61.62 88.24 62.42 63.15 89.67 61.35 63.74 89.52 62.62 61.79 89.03 63.49 61.94 87.76 3 0 17.67-999 ?-999 ?-999 ? SE SE C 202 mSER^C 41 63.45 63.63 90.37 64.24 63.02 90.41 64.65 65.78 90.78 65.73 65.23 90.58 63.39 64.94 91.02 63.09 64.79 92.52 2 0 21.21-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 42 64.48 67.11 90.75 63.51 67.37 90.73 65.52 68.79 92.10 64.71 69.72 92.31 65.58 68.08 90.75 65.38 69.12 89.64 3 0 24.28-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 43 66.36 68.35 93.04 67.08 67.74 92.70 65.07 67.92 95.04 65.05 66.70 94.87 66.20 68.75 94.44-999.99-999.99-999.99 1 0 26.09-999 ?-999 ?-999 ? SE SE C 202 mSER.C 44 64.14 68.58 95.71 64.31 69.57 95.79 61.75 67.95 95.35 60.80 67.15 95.50 62.96 67.90 96.28 62.61 68.47 97.66 2 0 25.89-999 ?-999 ?-999 ? SE SE C 202 mLYS^C 45 61.78 68.88 94.39 62.57 69.50 94.45 60.82 67.77 92.43 61.91 67.41 91.97 60.75 68.98 93.36 60.92 70.26 92.53 2 0 25.89-999 ?-999 ?-999 ? SE SE C 202 mPRO^C 46 59.67 67.12 92.19 58.98 67.24 92.89 59.91 67.04 89.68 59.63 68.24 89.50 59.48 66.30 90.97 57.97 66.04 90.98 3 0 22.83-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 47 60.61 66.32 88.80 60.71 65.36 89.05 60.40 66.55 86.29 60.12 67.41 85.45 61.17 66.92 87.58 62.62 66.47 87.42 3 0 22.56-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 48 60.01 65.28 86.17 59.73 64.82 87.01 59.80 63.18 85.09 60.14 62.65 86.16 60.02 64.65 84.89 61.44 64.85 84.39 3 0 20.31-999 ?-999 ?-999 ? SE SE C 202 mTHR^C 49 59.29 62.51 84.06 59.04 63.07 83.27 59.86 60.42 82.94 59.88 60.95 81.84 59.13 61.07 84.12 57.63 60.63 84.22 2 0 16.99-999 ?-999 ?-999 ? SE SE C 202 mLEU^C 50 60.51 59.30 83.23 60.55 59.10 84.21 60.23 57.22 82.06 59.95 56.50 83.01 61.11 58.44 82.24 62.51 57.98 82.69 3 0 14.26-999 ?-999 ?-999 ? SE SE C 202 mLYS^C 51 59.79 56.97 80.84 59.89 57.72 80.18 60.31 54.99 79.77 60.68 55.44 78.68 59.20 55.69 80.52 57.94 55.84 79.66 2 0 12.62-999 ?-999 ?-999 ? SE SE C 202 mVAL^C 52 60.83 53.93 80.36 60.42 53.71 81.25 61.31 51.87 79.19 60.39 51.33 79.79 61.90 53.14 79.76 63.09 52.83 80.77 3 0 10.10-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 53 61.81 51.41 78.04 62.38 52.06 77.53 62.79 49.28 77.38 63.63 49.65 76.57 61.50 50.06 77.58 60.58 50.03 76.33 3 0 9.36-999 ?-999 ?-999 ? SE SE C 202 mLEU.C 54 62.94 48.19 78.11 62.09 47.84 78.49 64.82 46.78 77.15 66.03 46.46 77.10 64.29 47.59 78.31 64.35 46.79 79.61 3 0 7.38-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 55 63.91 46.47 76.22 62.99 46.79 76.45 63.74 44.31 75.07 63.61 43.74 76.16 64.21 45.74 75.00-999.99-999.99-999.99 1 0 10.09-999 ?-999 ?-999 ? SE SE C 202 mARG.C 56 63.47 43.73 73.90 63.49 44.37 73.14 63.76 41.97 72.33 63.01 41.76 71.37 63.18 42.31 73.72 61.65 42.10 73.81 2 0 11.49-999 ?-999 ?-999 ? SE SE C 202 mLYS.C 57 65.10 41.87 72.25 65.48 41.34 73.01 65.86 42.00 69.72 66.22 42.76 68.77 65.90 42.50 71.16 67.36 42.72 71.57 2 0 14.23-999 ?-999 ?-999 ? SE SE C 202 mPRO.C 58 65.49 40.73 69.50 65.41 40.05 70.23 63.94 41.39 67.67 63.87 41.98 66.59 65.24 40.60 68.06 65.12 39.09 67.84 3 0 17.51-999 ?-999 ?-999 ? SE SE C 202 mTYR.C 59 62.97 41.44 68.58 63.25 41.13 69.49 61.45 43.39 68.52 60.98 44.12 67.64 61.63 41.92 68.26 60.61 41.12 69.05 3 0 17.02-999 ?-999 ?-999 ? SE SE C 202 mTRP.C 60 61.83 43.85 69.71 62.22 43.17 70.33 62.97 45.78 70.64 63.55 45.16 71.51 61.68 45.24 70.06 60.49 45.46 71.02 3 0 15.02-999 ?-999 ?-999 ? SE SE C 202 mGLN.C 61 63.40 46.95 70.16 62.81 47.31 69.44 64.33 48.60 71.81 63.26 49.19 71.92 64.59 47.64 70.61 65.20 48.43 69.44 2 0 14.74-999 ?-999 ?-999 ? SE SE C 202 mPRO.C 62 65.34 48.78 72.69 66.19 48.28 72.50 64.87 51.10 73.46 65.43 51.59 72.49 65.12 49.66 73.84 66.44 49.53 74.65 3 0 12.38-999 ?-999 ?-999 ? SE SE C 202 mTRP^C 63 64.03 51.77 74.23 63.59 51.22 74.93 63.41 53.72 75.41 62.95 52.99 76.28 63.77 53.20 74.05 62.63 53.49 73.02 3 0 13.91-999 ?-999 ?-999 ? SE SE C 202 mVAL^C 64 63.63 55.01 75.57 64.07 55.45 74.79 62.46 56.90 76.29 62.76 57.48 75.25 63.27 55.72 76.76 64.56 56.20 77.54 3 0 13.82-999 ?-999 ?-999 ? SE SE C 202 mGLU^C 65 61.44 57.27 77.06 61.25 56.65 77.82 60.81 59.43 77.96 60.75 58.99 79.12 60.67 58.49 76.78 59.21 58.16 76.50 2 0 16.33-999 ?-999 ?-999 ? SE SE C 202 mVAL^C 66 61.00 60.71 77.64 60.97 60.88 76.66 60.00 62.65 78.50 59.81 63.30 77.48 61.22 61.76 78.62 62.51 62.59 78.27 3 0 18.41-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 67 59.15 62.63 79.53 59.45 62.06 80.29 57.54 63.97 80.89 58.37 63.94 81.79 57.88 63.38 79.52 56.71 62.53 78.93 3 0 20.28-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 68 56.33 64.52 81.02 55.87 64.63 80.14 56.62 65.81 83.16 56.76 65.59 84.39 55.73 64.92 82.32-999.99-999.99-999.99 1 0 21.83-999 ?-999 ?-999 ? SE SE C 202 mVAL.C 69 57.20 66.80 82.48 56.93 66.82 81.52 57.41 68.92 83.70 56.70 69.68 83.03 58.14 67.77 83.04 59.13 68.33 81.94 3 0 23.80-999 ?-999 ?-999 ? SE SE C 202 mASN.C 70 57.62 69.05 85.01 58.19 68.32 85.39 57.34 71.55 85.24 58.49 71.96 85.11 57.09 70.15 85.83 57.70 70.08 87.23 2 0 26.30-999 ?-999 ?-999 ? SE SE C 202 mPRO.C 71 56.26 72.30 84.89 55.40 71.82 85.07 57.00 74.74 85.14 57.31 75.83 84.64 56.31 73.66 84.30 54.82 74.01 84.11 3 0 29.88-999 ?-999 ?-999 ? SE SE C 202 mASN.C 72 57.24 74.48 86.42 56.90 73.60 86.75 59.48 75.38 87.03 60.21 76.27 87.45 57.96 75.46 87.21 57.51 75.44 88.68 2 0 31.39-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 73 59.94 74.33 86.34 59.22 73.70 86.02 61.81 74.41 84.63 63.01 74.50 84.38 61.37 74.14 86.09 61.83 72.75 86.58 3 0 29.61-999 ?-999 ?-999 ? SE SE C 202 mARG~C 74 60.85 74.59 83.70 59.92 74.56 84.08 62.39 75.65 82.04 63.40 75.16 81.51 61.14 74.80 82.26 60.01 75.49 81.49 2 0 30.38-999 ?-999 ?-999 ? SE SE C 202 mASN~C 75 62.31 76.93 82.43 61.46 77.16 82.91 64.72 77.54 82.85 65.78 78.00 82.43 63.39 77.88 82.15 62.95 79.32 82.43 2 0 33.39-999 ?-999 ?-999 ? SE SE C 202 mVAL~C 76 64.65 76.70 83.89 63.72 76.42 84.13 66.50 75.01 83.96 67.72 74.94 83.83 65.85 76.25 84.61 65.56 76.00 86.13 3 0 31.75-999 ?-999 ?-999 ? SE SE C 202 mPHE~C 77 65.65 74.05 83.56 64.69 74.31 83.67 66.41 72.75 81.50 67.41 72.19 81.08 66.09 72.75 83.00 65.05 71.67 83.31 3 0 28.36-999 ?-999 ?-999 ? SE SE C 202 mPHE~C 78 65.55 73.35 80.70 64.74 73.73 81.14 66.86 74.52 79.06 66.58 75.71 79.28 65.83 73.43 79.28 64.56 73.68 78.44 3 0 29.49-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 79 68.04 74.09 78.64 68.08 73.11 78.45 70.30 74.54 79.39 71.46 74.78 79.09 69.18 74.98 78.47-999.99-999.99-999.99 1 0 31.62-999 ?-999 ?-999 ? SE SE C 202 mSER~C 80 69.94 73.87 80.48 68.97 73.59 80.48 71.84 72.41 81.35 71.79 71.73 80.34 70.86 73.56 81.59 70.08 73.32 82.89 2 0 30.13-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 81 72.72 72.21 82.32 72.68 72.90 83.04 73.09 69.84 83.04 73.63 68.75 82.92 73.66 71.10 82.35 75.01 71.54 82.95 2 0 28.45-999 ?-999 ?-999 ? SE SE C 203 mALA~C 82 71.99 70.01 83.78 71.76 70.97 83.95 70.47 68.17 83.14 70.25 66.95 83.18 71.21 68.88 84.29 70.24 69.33 85.37 2 0 25.55-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 83 70.08 68.95 82.12 70.25 69.92 82.25 70.48 67.50 80.20 70.17 66.33 79.86 69.46 68.38 80.92 68.92 69.48 79.98 2 0 24.90-999 ?-999 ?-999 ? SE SE C 202 mARG~C 84 71.69 68.04 80.01 71.77 68.96 80.39 73.28 66.11 80.01 73.65 65.13 79.35 72.78 67.37 79.30 73.95 68.31 79.07 2 0 25.21-999 ?-999 ?-999 ? SE SE C 203 mLYS~C 85 73.27 66.16 81.34 72.89 67.01 81.71 72.80 63.92 82.13 73.21 62.75 82.06 73.77 65.07 82.17 74.01 65.53 83.63 2 0 22.84-999 ?-999 ?-999 ? SE SE C 203 mLEU~C 86 71.50 64.25 82.15 71.34 65.22 82.31 70.46 62.61 80.53 70.44 61.40 80.43 70.43 63.24 81.93 69.04 63.79 82.28 3 0 20.17-999 ?-999 ?-999 ? SE SE C 203 mTYR~C 87 70.53 63.43 79.47 70.52 64.40 79.71 71.82 62.03 77.93 71.73 60.84 77.56 70.60 62.90 78.10 70.62 64.02 77.04 3 0 20.88-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 88 72.96 62.62 78.26 72.84 63.59 78.50 74.13 60.57 78.88 74.55 59.61 78.26 74.25 61.96 78.29 75.15 62.79 79.17 2 0 21.17-999 ?-999 ?-999 ? SE SE C 203 mPHE~C 89 73.53 60.47 80.06 73.26 61.37 80.42 72.32 58.24 80.02 72.55 57.03 79.99 73.28 59.21 80.76 72.80 59.51 82.21 3 0 17.65-999 ?-999 ?-999 ? SE SE C 203 mLEU~C 90 71.24 58.77 79.46 71.12 59.75 79.62 70.96 57.47 77.37 70.70 56.33 76.92 70.32 57.95 78.66 69.04 58.71 78.35 3 0 16.21-999 ?-999 ?-999 ? SE SE C 203 mSER~C 91 71.80 58.33 76.78 71.88 59.20 77.26 73.46 56.84 75.68 73.84 56.21 74.70 72.53 58.03 75.53 73.27 59.24 75.00 2 0 18.50-999 ?-999 ?-999 ? SE SE C 203 mGLU~C 92 73.82 56.51 76.91 73.47 57.13 77.62 73.88 54.01 77.20 74.50 52.95 77.11 74.64 55.33 77.18 75.44 55.51 78.48 2 0 16.64-999 ?-999 ?-999 ? SE SE C 203 mHIS.C 93 72.55 54.08 77.30 72.19 55.01 77.23 70.57 52.66 76.49 70.01 51.54 76.43 71.70 52.88 77.50 71.20 52.84 78.95 3 0 13.35-999 ?-999 ?-999 ? SE SE C 203 mPHE.C 94 70.29 53.68 75.69 70.90 54.47 75.80 69.52 54.17 73.33 69.84 55.35 73.16 69.17 53.66 74.72 67.97 54.45 75.28 3 0 14.84-999 ?-999 ?-999 ? SE SE C 203 mGLY.C 95 69.43 53.30 72.33 69.26 52.36 72.62 68.43 54.48 70.32 68.49 54.94 69.17 69.59 53.70 70.93-999.99-999.99-999.99 1 0 17.88-999 ?-999 ?-999 ? SE SE C 203 mARG^C 96 67.35 54.63 71.08 67.40 54.16 71.96 65.64 56.20 71.84 65.40 55.63 72.91 66.19 55.41 70.64 65.13 54.47 70.07 2 0 18.19-999 ?-999 ?-999 ? SE SE C 202 mILE^C 97 65.46 57.51 71.64 65.70 57.79 70.71 63.79 59.29 72.16 63.77 59.73 71.00 64.96 58.43 72.66 66.09 59.37 73.14 3 0 18.59-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 98 62.83 59.53 73.06 62.93 58.99 73.89 61.80 61.60 73.91 61.87 61.30 75.10 61.73 60.49 72.85 60.37 59.82 73.03 3 0 20.05-999 ?-999 ?-999 ? SE SE C 202 mVAL^C 99 61.72 62.85 73.50 61.75 62.97 72.50 60.44 64.88 74.03 60.37 65.38 72.90 61.62 63.96 74.43 63.00 64.74 74.58 3 0 22.10-999 ?-999 ?-999 ? SE SE C 202 mGLU^C 100 59.53 65.10 74.98 59.65 64.56 75.81 59.02 67.46 74.89 59.63 67.83 75.89 58.45 66.06 74.81 57.40 65.82 75.90 2 0 24.22-999 ?-999 ?-999 ? SE SE C 202 mTYR.C 101 58.82 68.25 73.85 58.19 67.87 73.17 58.49 70.71 74.03 58.82 71.88 73.84 59.46 69.55 73.73 60.06 69.69 72.31 3 0 27.63-999 ?-999 ?-999 ? SE SE C 202 mPHE.C 102 57.30 70.38 74.50 57.21 69.41 74.73 56.59 72.52 75.60 56.36 73.71 75.29 56.23 71.35 74.64 54.94 70.65 75.11 3 0 29.53-999 ?-999 ?-999 ? SE SE C 202 mGLU.C 103 57.15 72.16 76.76 57.23 71.17 76.87 58.85 73.87 77.35 59.19 74.89 77.96 57.60 73.11 77.77 57.83 72.42 79.11 2 0 29.95-999 ?-999 ?-999 ? SE SE C 202 mASP~C 104 59.53 73.39 76.30 59.10 72.58 75.90 60.41 74.99 74.71 60.19 74.65 73.55 60.76 73.99 75.79 61.72 72.89 75.30 2 0 30.88-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 105 60.37 76.25 75.11 60.70 76.37 76.05 60.79 77.66 73.08 60.36 78.33 72.13 59.89 77.35 74.28 59.70 78.60 75.16 2 0 34.61-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 106 62.04 77.21 73.12 62.28 76.68 73.93 62.85 76.43 70.94 62.64 76.77 69.77 62.97 77.49 72.01 64.42 77.64 72.49 2 0 35.35-999 ?-999 ?-999 ? SE SE C 202 mTHR~C 107 62.97 75.16 71.35 63.24 75.07 72.31 61.40 74.14 69.71 61.38 74.01 68.46 62.73 74.00 70.48 62.78 72.69 71.29 2 0 32.78-999 ?-999 ?-999 ? SE SE C 202 mTHR~C 108 60.34 74.42 70.46 60.54 74.40 71.44 59.03 75.80 68.83 58.58 75.56 67.70 59.01 74.73 69.93 58.07 75.17 71.08 2 0 33.94-999 ?-999 ?-999 ? SE SE C 202 mTYR~C 109 59.57 76.97 69.15 59.97 77.00 70.07 60.37 77.84 66.97 60.00 78.32 65.89 59.56 78.11 68.24 60.10 79.35 68.94 3 0 37.63-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 110 61.48 77.12 67.11 61.67 76.85 68.06 61.67 75.69 65.08 61.57 75.89 63.87 62.34 76.75 65.98 63.67 76.21 66.48 2 0 37.35-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 111 61.21 74.58 65.67 61.43 74.52 66.65 59.34 74.17 64.06 59.24 73.87 62.85 60.45 73.56 64.93 59.89 72.47 65.86 3 0 35.33-999 ?-999 ?-999 ? SE SE C 202 mGLN~C 112 58.56 75.05 64.68 58.78 75.14 65.65 57.97 76.72 62.90 57.22 77.02 61.98 57.48 75.81 64.04 56.78 76.64 65.10 2 0 36.71-999 ?-999 ?-999 ? O3 SO4 A 202 mLYS~C 113 59.22 77.15 62.97 59.69 76.89 63.81 60.33 77.10 60.70 60.77 77.64 59.68 59.85 77.95 61.89 61.02 78.78 62.44 2 0 40.24-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.C 114 60.28 75.78 60.83 59.93 75.44 61.71 62.15 74.47 59.92 62.78 74.02 58.96 60.71 74.92 59.74-999.99-999.99-999.99 1 0 39.52-999 ?-999 ?-999 ? SE SE C 202 mVAL.C 115 62.67 74.62 61.14 62.09 75.12 61.78 63.87 72.55 61.56 62.88 72.01 62.08 63.97 74.09 61.49 64.51 74.70 62.83 3 0 37.70-999 ?-999 ?-999 ? SE SE C 202 mPRO~C 116 64.90 71.85 61.03 65.57 72.40 60.54 65.25 70.00 62.62 66.04 70.61 63.30 65.03 70.40 61.16 66.31 70.09 60.36 3 0 35.16-999 ?-999 ?-999 ? SE SE C 202 mPRO~C 117 64.56 68.95 63.09 64.01 68.48 62.39 66.02 68.42 65.13 66.21 68.79 66.30 64.61 68.53 64.52 63.92 67.16 64.53 3 0 31.51-999 ?-999 ?-999 ? SE SE C 202 mALA~C 118 66.98 67.93 64.34 66.64 67.73 63.42 69.13 69.00 64.98 70.15 69.01 65.63 68.38 67.71 64.74 69.09 66.90 63.67 2 0 31.14-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 119 68.63 70.10 64.43 67.76 69.97 63.95 68.52 72.32 65.41 68.85 73.51 65.53 69.31 71.36 64.51 69.59 71.93 63.10 3 0 34.23-999 ?-999 ?-999 ? SE SE C 202 mSER~C 120 67.49 71.81 66.06 67.27 70.86 65.84 67.56 72.47 68.31 68.36 71.55 68.45 66.75 72.59 67.03 65.30 72.08 67.20 2 0 33.43-999 ?-999 ?-999 ? SE SE C 202 mARG~C 121 67.37 73.43 69.21 66.81 74.19 68.86 67.97 72.01 71.16 69.05 71.47 71.34 67.89 73.42 70.56 67.03 74.31 71.43 2 0 32.55-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 122 66.82 71.41 71.43 66.02 71.93 71.13 67.37 68.98 71.28 68.15 68.19 71.83 66.74 70.11 72.10 65.27 69.78 72.41 3 0 28.78-999 ?-999 ?-999 ? SE SE C 202 mGLY~C 123 66.99 68.91 69.99 66.33 69.62 69.75 68.97 68.00 68.80 69.65 66.97 68.72 67.48 67.93 69.01-999.99-999.99-999.99 1 0 28.58-999 ?-999 ?-999 ? SE SE C 202 mPHE~C 124 69.50 69.21 68.73 68.81 69.94 68.73 71.73 68.81 69.83 72.77 68.22 69.64 70.96 69.43 68.67 71.27 70.92 68.58 3 0 30.69-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 125 71.17 68.94 71.03 70.37 69.53 71.04 71.70 66.79 72.04 72.50 66.11 72.65 71.68 68.29 72.20 70.84 68.68 73.40 2 0 28.20-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 126 70.80 66.25 71.22 70.20 66.92 70.78 71.70 64.40 69.91 72.34 63.37 70.03 70.72 64.82 71.00 69.28 64.43 70.65 3 0 25.68-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 127 71.81 65.21 68.86 71.12 65.94 68.85 74.28 64.92 68.37 75.07 64.19 67.80 72.83 65.05 67.83 72.75 66.20 66.82 3 0 28.35-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 128 74.61 65.60 69.46 73.85 66.15 69.83 76.28 64.18 70.64 77.45 63.79 70.67 75.95 65.55 70.07 76.04 66.51 71.25 2 0 28.40-999 ?-999 ?-999 ? SE SE C 203 mLEU.C 129 75.24 63.51 71.14 74.35 63.95 70.99 75.29 61.04 70.90 75.23 59.91 71.37 75.39 62.25 71.83 74.37 62.14 72.96 3 0 24.76-999 ?-999 ?-999 ? SE SE C 203 mGLY.C 130 75.30 61.28 69.59 75.30 62.24 69.33 73.99 59.80 68.02 73.95 58.89 67.20 75.32 60.17 68.65-999.99-999.99-999.99 1 0 25.22-999 ?-999 ?-999 ? SE SE C 203 mTYR.C 131 72.90 60.47 68.40 73.06 61.09 69.17 71.56 61.04 66.37 71.84 62.24 66.29 71.58 60.30 67.72 70.39 60.72 68.60 3 0 24.77-999 ?-999 ?-999 ? SE SE C 202 mTHR.C 132 71.18 60.31 65.32 70.73 59.45 65.55 70.09 60.74 63.15 69.89 61.56 62.24 71.41 60.76 63.97 72.60 59.91 63.39 2 0 27.72-999 ?-999 ?-999 ? SE SE C 202 mTYR^C 133 69.18 59.82 63.49 69.49 59.16 64.18 66.82 60.59 63.74 66.60 60.27 64.91 67.86 59.80 62.89 67.39 58.34 62.58 3 0 27.20-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 134 66.22 61.62 63.13 66.51 61.74 62.18 63.79 62.50 63.21 63.61 62.61 62.00 65.22 62.49 63.80 65.74 63.93 63.90 3 0 27.79-999 ?-999 ?-999 ? SE SE C 202 mARG^C 135 62.80 62.42 64.09 63.11 62.19 65.01 60.77 63.68 64.68 60.84 63.53 65.89 61.39 62.64 63.74 60.60 61.35 63.92 2 0 27.93-999 ?-999 ?-999 ? SE SE C 202 mASP^C 136 60.16 64.71 64.11 60.28 64.75 63.11 57.89 65.31 64.81 57.27 65.29 63.74 59.39 65.70 64.88 59.67 67.13 64.37 2 0 29.39-999 ?-999 ?-999 ? SE SE C 202 mTRP^C 137 57.31 64.96 65.96 57.96 64.86 66.72 55.23 66.04 66.62 55.63 66.54 67.67 55.88 64.76 66.08 55.62 63.65 67.07 3 0 28.60-999 ?-999 ?-999 ? SE SE C 202 mPHE^C 138 54.23 66.56 65.90 54.05 66.06 65.05 51.94 67.57 66.28 51.26 68.19 65.47 53.47 67.75 66.35 53.91 69.00 65.56 3 0 28.92-999 ?-999 ?-999 ? O3 SO4 A 202 mILE.C 139 51.41 66.72 67.14 52.06 66.36 67.81 49.26 67.21 68.14 49.62 67.15 69.32 49.99 66.37 67.13 49.78 64.84 67.42 3 0 25.12-999 ?-999 ?-999 ? O3 SO4 A 202 mPRO.C 140 48.19 67.93 67.71 47.99 67.81 66.73 46.99 68.04 69.82 46.50 66.92 69.72 47.38 68.81 68.57 46.12 69.05 67.75 3 0 23.91-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU.C 141 47.19 68.66 70.98 47.60 69.56 70.89 45.33 67.88 72.40 44.87 67.05 73.20 46.83 68.05 72.27 47.34 68.89 73.45 2 0 22.98-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.C 142 44.58 68.68 71.63 45.11 69.36 71.12 42.72 67.28 70.90 41.65 66.75 71.18 43.13 68.59 71.52-999.99-999.99-999.99 1 0 20.30-999 ?-999 ?-999 ? O3 SO4 A 202 mLEU.C 143 43.58 66.73 70.05 44.39 67.29 69.87 43.81 64.33 70.37 43.05 63.40 70.68 43.35 65.44 69.44 44.10 65.35 68.11 3 0 18.64-999 ?-999 ?-999 ? O3 SO4 A 202 mMETC 144 45.05 64.47 70.82 45.48 65.34 70.58 46.87 64.09 72.43 47.75 64.78 71.90 45.73 63.45 71.61 46.28 62.40 70.65 2 0 19.79-999 ?-999 ?-999 ? O3 SO4 A 202 mGLU.C 145 46.84 63.82 73.72 46.04 63.30 74.02 49.24 63.52 74.43 49.29 62.30 74.12 47.89 64.25 74.61 47.38 64.18 76.03 2 0 22.42-999 ?-999 ?-999 ? O3 SO4 A 202 mGLY.C 146 50.32 64.27 74.60 50.13 65.21 74.89 52.02 63.48 72.94 52.69 62.49 72.66 51.66 63.76 74.39-999.99-999.99-999.99 1 0 24.78-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 147 51.61 64.34 72.02 50.96 65.03 72.34 52.99 65.38 70.14 53.13 65.57 68.92 52.09 64.25 70.64-999.99-999.99-999.99 1 0 25.98-999 ?-999 ?-999 ? O3 SO4 A 202 mHIS^C 148 53.57 66.13 71.07 53.19 65.99 71.98 56.01 66.52 71.31 56.45 66.85 72.42 54.67 67.08 70.79 54.38 68.48 71.39 3 0 27.94-999 ?-999 ?-999 ? SE SE C 202 mLYS^C 149 56.63 65.67 70.49 56.14 65.49 69.64 58.83 64.78 69.65 58.40 64.46 68.54 57.92 65.08 70.82 57.78 63.82 71.70 2 0 25.46-999 ?-999 ?-999 ? SE SE C 202 mILE^C 150 60.13 64.88 69.94 60.33 65.22 70.86 61.48 63.07 69.26 61.62 62.66 70.42 61.17 64.54 68.99 62.41 65.49 69.13 3 0 25.64-999 ?-999 ?-999 ? SE SE C 202 mGLN^C 151 61.54 62.28 68.18 61.19 62.71 67.35 63.48 60.92 67.64 63.69 61.41 66.54 62.07 60.93 68.24 61.17 60.01 67.46 2 0 23.41-999 ?-999 ?-999 ? SE SE C 202 mALA^C 152 64.46 60.39 68.37 64.16 59.97 69.23 66.47 59.07 68.03 66.22 58.36 69.02 65.84 60.44 67.92 66.63 61.50 68.68 2 0 23.42-999 ?-999 ?-999 ? SE SE C 202 mGLU^C 153 67.28 58.70 67.03 67.51 59.43 66.38 69.24 57.27 66.51 69.71 57.96 65.60 67.78 57.33 66.90 67.00 56.60 65.82 2 0 22.57-999 ?-999 ?-999 ? SE SE C 202 mLYS.C 154 69.97 56.40 67.21 69.51 56.02 68.02 71.29 55.19 65.54 70.42 54.32 65.37 71.31 56.04 66.82 72.01 55.31 67.95 2 0 22.87-999 ?-999 ?-999 ? SE SE C 203 mPRO.C 155 72.25 55.44 64.63 72.80 56.26 64.84 72.75 53.17 63.82 73.49 52.86 64.72 72.50 54.63 63.45 73.78 55.25 62.85 3 0 25.34-999 ?-999 ?-999 ? SE SE C 203 mLYS.C 156 72.11 52.27 63.10 71.51 52.66 62.39 73.63 50.40 62.79 74.12 49.32 63.12 72.27 50.85 63.34 71.15 50.09 62.61 2 0 24.02-999 ?-999 ?-999 ? SE SE C 203 mTHR~C 157 74.25 51.27 61.99 73.89 52.20 62.07 76.04 52.18 60.59 75.42 53.25 60.58 75.34 50.91 61.09 74.72 50.09 59.93 2 0 27.06-999 ?-999 ?-999 ? SE SE C 203 mGLU~C 158 77.31 52.07 60.19 77.70 51.16 60.33 77.40 53.77 58.30 77.46 54.98 58.04 78.04 53.21 59.60 79.50 52.85 59.36 2 0 30.05-999 ?-999 ?-999 ? SE SE C 203 mGLU~C 159 76.78 52.89 57.52 76.86 51.94 57.84 74.71 53.94 56.56 74.32 54.84 55.78 76.05 53.27 56.32 75.87 52.05 55.42 2 0 32.24-999 ?-999 ?-999 ? SE SE C 203 mALA~C 160 73.99 53.49 57.60 74.34 52.64 58.01 73.10 55.64 58.55 72.39 56.58 58.20 72.79 54.20 58.10 72.10 53.41 59.18 2 0 30.01-999 ?-999 ?-999 ? SE SE C 203 mLYS~C 161 74.19 55.81 59.29 74.63 54.95 59.53 74.94 58.10 58.51 74.47 59.25 58.49 74.69 57.14 59.70 75.97 56.98 60.52 2 0 30.25-999 ?-999 ?-999 ? SE SE C 203 mLYS~C 162 75.69 57.60 57.54 76.05 56.69 57.73 74.69 58.88 55.66 74.61 60.07 55.34 75.96 58.32 56.32 76.71 57.39 55.35 2 0 34.02-999 ?-999 ?-999 ? SE SE C 203 mARG~C 163 73.70 58.00 55.49 73.94 57.07 55.77 71.65 59.37 55.81 71.13 60.33 55.26 72.40 58.33 54.98 71.57 57.07 54.85 2 0 34.24-999 ?-999 ?-999 ? SE SE C 202 mHIS~C 164 71.60 59.19 57.13 72.04 58.36 57.46 71.62 61.52 57.83 70.96 62.56 57.79 70.92 60.16 57.97 70.89 59.74 59.46 3 0 32.09-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 165 72.95 61.51 57.76 73.37 60.60 57.83 73.55 63.41 56.20 73.62 64.63 56.09 73.69 62.75 57.59 75.17 62.59 58.00 3 0 34.47-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 166 73.34 62.62 55.15 73.47 61.64 55.32 71.54 63.84 53.96 71.31 64.92 53.43 72.95 63.21 53.87 73.07 62.18 52.72 2 0 37.52-999 ?-999 ?-999 ? SE SE C 202 mASN~C 167 70.60 63.20 54.64 70.87 62.31 55.01 69.34 65.17 55.55 68.72 66.16 55.12 69.27 63.83 54.81 68.28 62.90 55.52 2 0 36.27-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 168 70.11 65.19 56.64 70.49 64.29 56.88 70.95 67.57 56.58 70.49 68.70 56.69 70.35 66.42 57.41 71.21 66.15 58.65 3 0 35.86-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 169 71.96 67.28 55.77 72.31 66.35 55.84 71.37 68.84 53.96 71.22 70.05 53.85 72.49 68.29 54.86 73.64 67.72 54.05 2 0 39.41-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 170 70.58 67.95 53.35 70.86 67.00 53.48 68.35 69.18 53.32 67.81 70.12 52.78 69.42 68.36 52.56 68.76 67.16 51.90 2 0 40.66-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 171 68.04 68.81 54.55 68.49 67.97 54.87 67.69 70.94 55.75 66.99 71.96 55.80 67.09 69.58 55.35 66.67 68.82 56.61 2 0 38.94-999 ?-999 ?-999 ? SE SE C 202 mPHE~C 172 69.00 70.94 56.03 69.43 70.05 56.05 69.49 73.15 55.12 69.00 74.26 55.32 69.70 72.18 56.29 71.18 71.92 56.58 3 0 40.31-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 173 69.80 72.69 53.91 70.18 71.77 53.93 68.14 73.86 52.33 67.88 74.98 51.86 69.60 73.48 52.68 70.25 72.79 51.48 2 0 43.79-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 174 67.20 72.95 52.54 67.54 72.08 52.92 65.18 74.22 53.21 64.00 74.56 53.11 65.79 73.22 52.22 64.98 71.92 52.19 2 0 43.56-999 ?-999 ?-999 ? SE SE C 202 mPHE.C 175 66.00 74.68 54.16 66.94 74.34 54.08 66.09 77.00 54.97 65.35 77.97 55.13 65.57 75.59 55.21 65.98 75.07 56.59 3 0 43.03-999 ?-999 ?-999 ? SE SE C 202 mILE.C 176 67.35 77.13 54.55 67.87 76.28 54.50 67.25 79.01 52.88 67.64 80.08 52.39 67.88 78.46 54.19 69.43 78.51 54.10 3 0 45.99-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 177 66.26 78.28 52.35 66.12 77.40 52.81 64.27 79.59 51.56 63.49 79.27 52.46 65.46 78.71 51.19-999.99-999.99-999.99 1 0 48.06-999 ?-999 ?-999 ? SE SE C 202 mGLU.C 182 64.50 84.60 57.72 64.44 84.30 56.76 66.02 85.42 59.44 66.84 85.61 58.55 64.58 85.02 59.11 64.09 83.89 60.02 2 0 48.01-999 ?-999 ?-999 ? SE SE C 202 mGLY.C 183 66.32 85.57 60.73 65.56 85.41 61.35 68.33 84.85 62.02 69.57 84.79 62.12 67.68 85.93 61.17-999.99-999.99-999.99 1 0 47.89-999 ?-999 ?-999 ? SE SE C 202 mLEU~C 184 67.49 84.01 62.64 66.54 84.29 62.55 68.54 81.76 62.42 69.06 80.73 62.87 67.91 82.81 63.38 66.72 82.21 64.17 3 0 44.13-999 ?-999 ?-999 ? SE SE C 202 mILE~C 185 68.50 82.06 61.12 67.86 82.79 60.89 70.77 81.21 60.63 71.30 80.11 60.59 69.32 81.36 60.12 69.26 82.06 58.71 3 0 44.78-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 186 71.39 82.29 61.13 70.82 83.11 61.13 72.97 81.31 62.84 74.08 80.83 63.10 72.78 82.24 61.62 73.36 83.65 61.90 2 0 45.30-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 187 71.87 81.08 63.56 71.08 81.59 63.22 71.82 78.72 64.26 72.55 77.89 64.81 71.81 80.17 64.72 70.53 80.45 65.53 2 0 41.81-999 ?-999 ?-999 ? SE SE C 202 mVAL~C 188 70.98 78.42 63.27 70.37 79.16 63.01 72.31 76.83 61.90 72.89 75.75 62.04 70.97 77.10 62.64 69.73 76.91 61.73 3 0 40.18-999 ?-999 ?-999 ? SE SE C 202 mLYS~C 189 72.80 77.85 61.17 72.18 78.63 61.13 75.26 77.46 61.40 76.10 76.62 61.03 74.10 77.83 60.47 74.40 79.19 59.82 2 0 42.68-999 ?-999 ?-999 ? SE SE C 202 mGLU~C 190 75.30 78.07 62.59 74.56 78.72 62.75 76.23 76.42 64.21 77.22 75.78 64.56 76.38 77.78 63.54 76.62 78.91 64.58 2 0 41.62-999 ?-999 ?-999 ? SE SE C 202 mARG~C 191 74.99 75.97 64.35 74.28 76.62 64.10 75.21 73.49 63.90 75.88 72.56 64.33 74.74 74.61 64.85 73.27 74.44 65.20 2 0 37.91-999 ?-999 ?-999 ? SE SE C 202 mTYR~C 192 74.87 73.60 62.62 74.30 74.40 62.42 76.83 72.54 61.41 77.35 71.48 61.10 75.29 72.64 61.60 74.61 72.97 60.27 3 0 38.44-999 ?-999 ?-999 ? SE SE C 202 mASN~C 193 77.55 73.65 61.60 77.02 74.49 61.71 79.42 72.70 62.85 79.46 73.16 64.00 79.02 73.56 61.65 79.64 74.94 61.66 2 0 40.23-999 ?-999 ?-999 ? SE SE C 203 mPHE.C 194 79.66 71.43 62.55 80.02 71.29 61.63 80.51 70.11 64.51 81.19 71.06 64.94 79.42 70.34 63.50 79.00 69.01 62.80 3 0 36.94-999 ?-999 ?-999 ? SE SE C 203