HEADER DNA BINDING PROTEIN 28-OCT-08 3F1Z COMPND PUTATIVE NUCLEIC ACID-BINDING LIPOPROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAE MGH SOURCE 3 78578; SOURCE 4 ORGANISM_TAXID: 272620; SOURCE 5 GENE: KPN78578_35060, KPN_03535, YP_001337197.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 45 8 HET MSE A 98 8 HET MSE B 45 8 HET MSE B 98 8 HET MSE C 45 8 HET MSE C 98 8 HET MSE D 45 8 HET MSE D 98 8 HET MSE E 45 8 HET MSE E 98 8 HET MSE F 45 8 HET MSE F 98 8 HET MSE G 45 8 HET MSE G 98 8 HET MSE H 45 8 HET MSE H 98 8 HET MSE I 45 8 HET MSE I 98 8 HET MSE J 45 8 HET MSE J 98 8 HET PEG F 1 7 HET PEG J 2 7 SITE 1 AC1 1 LYS F 71 SITE 1 AC2 1 GLN J 46 mGLN.A 36 22.82 77.05 35.60 23.70 76.73 35.23 20.77 78.39 35.10 21.40 79.22 34.42 21.51 77.52 36.13 21.69 78.31 37.44 2 0 31.36-999 ?-999 ?-999 ? O1 PEG F 1 mPRO.A 37 19.43 78.23 34.99 19.00 77.54 35.58 18.51 80.50 34.51 18.16 80.72 35.69 18.71 79.06 34.02 17.36 78.33 33.86 3 0 33.86-999 ?-999 ?-999 ? O1 PEG F 1 mGLY~A 38 18.74 81.46 33.60 19.04 81.11 32.71 17.13 83.35 33.73 16.27 82.58 33.31 18.58 82.90 33.86-999.99-999.99-999.99 1 0 32.82-999 ?-999 ?-999 ? O1 PEG F 1 mASP~A 39 16.86 84.61 34.05 17.68 85.14 34.27 14.59 84.89 32.86 13.45 84.44 33.02 15.49 85.15 34.07 15.51 86.65 34.40 2 0 34.24-999 ?-999 ?-999 ? O1 PEG F 1 mASP~A 40 15.05 85.17 31.65 15.99 85.53 31.62 13.94 83.46 30.21 12.87 83.10 29.73 14.19 84.95 30.48 14.66 85.75 29.23 2 0 37.68-999 ?-999 ?-999 ? O1 PEG F 1 mALA~A 41 14.91 82.59 30.52 15.76 83.01 30.84 13.64 80.67 31.38 12.84 79.80 31.09 14.71 81.14 30.38 16.01 80.38 30.61 2 0 38.28-999 ?-999 ?-999 ? O1 PEG F 1 mVAL~A 42 13.65 81.28 32.56 14.37 81.97 32.64 11.28 81.41 33.26 10.33 80.63 33.43 12.70 80.97 33.63 13.13 81.64 34.94 3 0 37.52-999 ?-999 ?-999 ? O1 PEG F 1 mALA~A 43 11.13 82.63 32.76 11.97 83.17 32.70 9.25 82.23 31.22 8.05 82.08 31.07 9.81 83.11 32.34 9.87 84.55 31.89 2 0 39.92-999 ?-999 ?-999 ? O1 PEG F 1 mSER~A 44 10.14 81.65 30.43 11.09 81.87 30.65 9.27 79.35 29.71 8.69 78.67 28.88 9.75 80.77 29.33 10.90 80.72 28.30 2 0 42.46-999 ?-999 ?-999 ? O1 PEG F 1 mMETA 45 9.54 78.89 30.93 10.04 79.56 31.49 7.68 77.46 31.85 7.13 78.40 32.38 9.15 77.56 31.40 10.04 77.15 32.59 2 0 41.37-999 ?-999 ?-999 ? O1 PEG J 2 mGLN.A 46 7.08 76.29 31.68 7.66 75.62 31.21 5.77 75.87 33.66 6.73 75.36 34.22 5.72 76.01 32.13 5.19 74.71 31.48 2 0 43.32-999 ?-999 ?-999 ? O1 PEG J 2 mTHR^A 47 4.76 76.35 34.36 4.06 76.80 33.80 3.87 74.96 36.16 2.77 74.79 35.73 4.66 76.21 35.80 3.93 77.38 36.41 2 0 43.96-999 ?-999 ?-999 ? O1 PEG F 1 mTYR^A 48 4.45 74.06 36.95 5.40 74.28 37.20 3.10 73.15 38.74 3.60 73.96 39.54 3.75 72.87 37.41 4.74 71.75 37.74 3 0 44.53-999 ?-999 ?-999 ? O1 PEG J 2 mSER^A 49 1.99 72.47 39.01 1.55 72.00 38.25 2.32 71.31 41.06 2.96 70.46 40.40 1.53 72.46 40.38 0.06 72.18 40.45 2 0 45.98-999 ?-999 ?-999 ? O1 PEG F 1 mVAL~A 50 2.29 71.24 42.37 1.78 71.96 42.83 2.37 68.80 42.60 3.09 67.86 42.35 2.98 70.15 43.03 2.96 70.33 44.55 3 0 44.91-999 ?-999 ?-999 ? O1 PEG F 1 mALA~A 51 1.05 68.74 42.48 0.57 69.58 42.71 0.87 67.12 40.66 1.11 65.95 40.40 0.38 67.50 42.03 -1.14 67.64 42.01 2 0 46.78-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~A 52 0.99 68.11 39.78 0.78 69.02 40.13 2.80 67.23 38.33 3.03 66.23 37.71 1.40 67.79 38.41 1.23 68.98 37.47 2 0 44.79-999 ?-999 ?-999 ? O1 PEG J 2 mPHE~A 53 3.74 67.87 38.99 3.43 68.68 39.50 5.26 66.04 39.64 6.07 65.23 39.20 5.09 67.41 38.96 6.01 68.44 39.59 3 0 41.58-999 ?-999 ?-999 ? O1 PEG J 2 mLEU~A 54 4.53 65.80 40.71 3.91 66.54 40.98 3.87 63.37 40.78 4.13 62.20 41.09 4.65 64.52 41.42 4.29 64.66 42.90 3 0 41.90-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~A 55 2.98 63.65 39.88 2.91 64.62 39.65 2.99 61.40 38.71 2.73 60.26 39.04 2.17 62.57 39.29 1.19 63.14 38.25 2 0 42.83-999 ?-999 ?-999 ? O1 PEG J 2 mPRO~A 56 3.99 61.69 37.89 4.13 62.66 37.70 5.57 59.82 38.41 5.74 58.64 38.25 4.82 60.60 37.34 5.82 61.34 36.43 3 0 39.32-999 ?-999 ?-999 ? O1 PEG J 2 mPHE~A 57 6.03 60.50 39.47 5.85 61.48 39.43 5.78 58.92 41.35 6.19 57.89 41.94 6.73 59.83 40.57 7.42 60.86 41.51 3 0 38.56-999 ?-999 ?-999 ? O1 PEG J 2 mTHR~A 58 4.52 59.29 41.37 4.34 60.14 40.88 3.32 57.17 41.28 3.15 56.11 41.88 3.50 58.49 42.05 2.18 59.33 42.19 2 0 41.82-999 ?-999 ?-999 ? O1 PEG J 2 mLEU~A 59 3.40 57.22 39.96 3.56 58.14 39.61 4.54 55.10 39.15 4.44 53.88 39.21 3.28 56.03 39.11 3.01 56.46 37.68 3 0 40.63-999 ?-999 ?-999 ? O1 PEG J 2 mASN~A 60 5.71 55.71 39.07 5.65 56.71 39.04 8.12 55.99 39.19 8.53 56.61 38.23 6.96 54.99 39.04 7.07 54.21 37.74 2 0 37.10-999 ?-999 ?-999 ? O1 PEG J 2 mPRO~A 61 8.64 56.15 40.41 8.21 55.59 41.12 11.01 56.69 40.00 11.80 57.56 39.72 9.72 57.07 40.67 9.91 57.01 42.19 3 0 35.47-999 ?-999 ?-999 ? O1 PEG J 2 mALA~A 62 11.27 55.41 39.81 10.59 54.77 40.16 12.42 55.62 37.69 13.30 56.38 37.30 12.48 55.03 39.12 12.63 53.52 39.11 2 0 32.10-999 ?-999 ?-999 ? O1 PEG J 2 mLYS~A 63 11.33 55.35 36.97 10.69 54.73 37.44 11.10 57.43 35.62 11.78 58.03 34.79 11.08 55.89 35.64 9.71 55.38 35.17 2 0 32.15-999 ?-999 ?-999 ? O1 PEG J 2 mALA~A 64 10.39 58.05 36.53 9.95 57.44 37.19 11.62 60.15 36.84 11.98 61.15 36.23 10.28 59.51 36.56 9.26 59.97 37.60 2 0 33.80-999 ?-999 ?-999 ? O1 PEG J 2 mSER~A 65 12.36 59.58 37.77 11.96 58.77 38.19 14.57 60.02 36.91 15.37 60.89 36.64 13.65 60.09 38.12 14.22 59.28 39.25 2 0 31.49-999 ?-999 ?-999 ? O1 PEG J 2 mSER~A 66 14.45 58.96 36.17 13.76 58.30 36.49 14.89 59.79 33.85 15.77 60.36 33.19 15.28 58.81 35.00 15.19 57.36 34.58 2 0 28.54-999 ?-999 ?-999 ? O1 PEG J 2 mASP~A 67 13.58 60.00 33.64 12.97 59.50 34.25 13.46 62.34 32.91 13.74 63.09 32.01 13.10 60.89 32.60 11.58 60.78 32.40 2 0 30.37-999 ?-999 ?-999 ? O1 PEG J 2 mTYR~A 68 13.41 62.72 34.18 13.16 61.99 34.81 15.17 64.39 34.98 15.50 65.55 35.27 13.71 64.10 34.62 12.85 64.47 35.84 3 0 31.44-999 ?-999 ?-999 ? O1 PEG J 2 mLEU~A 69 16.03 63.37 35.00 15.64 62.51 34.67 18.17 64.68 34.83 18.35 64.71 33.65 17.42 63.52 35.48 18.23 62.23 35.26 3 0 28.32-999 ?-999 ?-999 ? O1 PEG J 2 mGLY.A 70 18.62 65.64 35.62 18.46 65.48 36.59 18.40 67.95 34.61 18.90 69.00 34.26 19.31 66.80 35.07-999.99-999.99-999.99 1 0 28.15-999 ?-999 ?-999 ? O1 PEG J 2 mLYS.A 71 17.08 67.78 34.61 16.77 66.91 34.99 15.74 69.77 35.18 15.75 69.47 36.38 16.19 68.80 34.10 14.97 68.15 33.47 2 0 31.35-999 ?-999 ?-999 ? O1 PEG J 2 mTRP^A 72 15.32 70.94 34.74 15.33 71.04 33.75 13.38 72.06 35.57 12.84 71.99 34.50 14.88 71.97 35.65 15.49 73.30 35.25 3 0 34.58-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^A 73 12.72 72.20 36.71 13.28 72.19 37.54 10.94 73.58 37.57 11.67 73.92 38.49 11.30 72.36 36.73 10.59 71.09 37.22 3 0 37.91-999 ?-999 ?-999 ? O1 PEG J 2 mLYS^A 74 9.84 74.24 37.22 9.38 73.83 36.43 8.00 75.01 38.56 7.00 74.71 37.87 9.32 75.42 37.91 9.15 76.57 36.90 2 0 39.57-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 75 8.00 74.91 39.89 8.84 75.24 40.31 6.26 75.42 41.55 6.99 76.11 42.26 6.83 74.36 40.63 7.24 73.12 41.46 3 0 40.74-999 ?-999 ?-999 ? O1 PEG F 1 mARG^A 76 4.93 75.55 41.53 4.48 74.91 40.91 3.46 75.79 43.43 2.95 74.70 43.20 4.20 76.53 42.33 3.24 77.26 41.43 2 0 41.41-999 ?-999 ?-999 ? O1 PEG F 1 mGLY^A 77 3.40 76.37 44.62 3.79 77.29 44.64 2.83 76.54 47.05 3.23 77.68 47.02 2.80 75.69 45.79-999.99-999.99-999.99 1 0 41.83-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 78 2.38 75.98 48.16 2.05 75.04 48.05 3.47 76.13 50.26 3.56 74.92 50.48 2.36 76.68 49.41 1.00 76.55 50.17 3 0 41.00-999 ?-999 ?-999 ? O1 PEG F 1 mILE^A 79 4.31 77.03 50.76 4.11 77.98 50.51 4.84 76.33 52.96 4.08 77.12 53.52 5.41 76.68 51.59 6.42 77.83 51.70 3 0 37.85-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 80 5.19 75.15 53.46 5.79 74.62 52.87 5.87 74.47 55.77 5.61 74.22 56.95 4.73 74.69 54.76 3.89 73.39 54.66 3 0 38.94-999 ?-999 ?-999 ? O1 PEG F 1 mASP^A 81 7.11 74.53 55.32 7.22 74.63 54.33 9.46 74.99 55.61 9.72 74.74 54.44 8.21 74.44 56.25 8.43 73.02 56.73 2 0 35.89-999 ?-999 ?-999 ? O1 PEG F 1 mILE^A 82 10.23 75.73 56.40 9.83 75.85 57.32 12.40 76.01 57.23 12.01 76.29 58.37 11.50 76.31 56.03 11.41 77.82 55.89 3 0 32.12-999 ?-999 ?-999 ? O1 PEG F 1 mARG^A 83 13.61 75.52 57.00 13.90 75.50 56.05 15.87 75.15 57.74 16.25 74.74 56.66 14.41 75.08 58.10 14.04 73.63 58.23 2 0 30.24-999 ?-999 ?-999 ? O1 PEG F 1 mARG^A 84 16.68 75.69 58.64 16.22 76.07 59.44 18.65 74.46 59.10 18.20 74.06 60.20 18.10 75.73 58.45 18.68 76.96 59.10 2 0 26.76-999 ?-999 ?-999 ? O2 PEG F 1 mLYS^A 85 19.61 73.82 58.42 19.91 74.28 57.58 21.68 72.52 58.85 22.31 73.14 58.00 20.15 72.57 58.86 19.56 71.42 58.02 2 0 26.83-999 ?-999 ?-999 ? O2 PEG F 1 mSER^A 86 22.23 71.80 59.84 21.57 71.42 60.48 24.13 70.70 58.88 23.60 69.58 58.67 23.65 71.59 59.98 23.98 70.86 61.31 2 0 24.86-999 ?-999 ?-999 ? O2 PEG F 1 mGLY.A 87 25.16 71.17 58.19 25.48 72.07 58.47 27.01 69.67 57.56 27.54 69.85 58.66 25.75 70.38 57.13-999.99-999.99-999.99 1 0 24.46-999 ?-999 ?-999 ? O2 PEG F 1 mILE.A 88 27.50 68.86 56.64 26.93 68.81 55.81 29.90 69.05 56.34 29.77 69.84 55.39 28.74 68.14 56.82 28.75 66.83 55.95 3 0 24.62-999 ?-999 ?-999 ? O2 PEG F 1 mALA.A 89 31.03 68.91 56.98 30.98 68.27 57.74 32.05 71.20 56.57 32.21 71.83 55.50 32.24 69.66 56.59 32.79 69.14 55.23 2 0 21.70-999 ?-999 ?-999 ? O2 PEG F 1 mGLY.A 90 31.72 71.73 57.76 31.57 71.04 58.46 30.35 73.87 57.43 30.02 75.00 57.74 31.57 73.18 58.03-999.99-999.99-999.99 1 0 18.74-999 ?-999 ?-999 ? O2 PEG F 1 mSER.A 91 29.62 73.15 56.60 29.91 72.20 56.49 27.17 73.75 56.69 27.02 73.10 57.72 28.50 73.75 55.91 28.26 72.98 54.60 2 0 20.33-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^A 92 26.23 74.52 56.15 26.55 75.14 55.43 24.07 74.64 55.29 24.61 75.03 54.24 24.85 74.47 56.57 24.51 75.53 57.62 3 0 22.20-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^A 93 22.80 74.31 55.36 22.49 74.01 56.27 20.51 74.54 54.69 20.28 74.59 55.86 21.94 74.39 54.19 22.14 73.15 53.33 3 0 24.88-999 ?-999 ?-999 ? O2 PEG F 1 mPHE^A 94 19.54 74.66 53.77 19.84 74.60 52.82 17.30 73.89 53.38 17.56 73.65 52.22 18.16 74.85 54.14 17.71 76.22 53.71 3 0 27.51-999 ?-999 ?-999 ? O1 PEG F 1 mILE^A 95 16.26 73.36 54.02 16.26 73.56 55.00 13.94 73.42 53.38 13.52 73.94 54.44 15.23 72.56 53.37 14.95 71.25 54.12 3 0 31.29-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 96 13.33 73.56 52.20 13.83 73.12 51.46 11.07 73.21 51.51 11.36 72.47 50.57 12.06 74.26 52.01 12.19 75.38 51.01 3 0 33.10-999 ?-999 ?-999 ? O1 PEG F 1 mTHR^A 97 9.94 73.08 52.21 9.84 73.73 52.96 7.70 72.76 51.38 7.24 73.74 51.98 8.94 72.06 51.90 8.56 71.24 53.14 2 0 36.87-999 ?-999 ?-999 ? O1 PEG F 1 mMETA 98 7.10 72.18 50.34 7.49 71.29 50.10 4.87 71.82 49.46 5.12 70.65 49.15 6.00 72.80 49.62 6.52 73.20 48.23 2 0 39.38-999 ?-999 ?-999 ? O1 PEG F 1 mARG^A 99 3.63 72.27 49.68 3.57 73.20 50.04 1.70 71.94 48.20 1.83 73.12 47.85 2.47 71.41 49.41 1.52 71.36 50.60 2 0 43.12-999 ?-999 ?-999 ? O1 PEG F 1 mASP.A 100 0.87 71.10 47.59 0.87 70.16 47.95 -0.88 72.72 46.92 -1.50 72.69 47.98 0.03 71.54 46.49 -0.85 70.42 45.99 2 0 45.78-999 ?-999 ?-999 ? O1 PEG F 1 mGLU.A 101 -0.95 73.73 46.08 -0.40 73.61 45.26 -3.25 74.61 46.57 -3.93 75.33 47.30 -1.77 74.90 46.37 -1.66 75.89 45.21 2 0 46.05-999 ?-999 ?-999 ? O1 PEG F 1 mGLN.A 102 -3.78 73.59 45.91 -3.15 73.10 45.32 -5.35 71.91 46.78 -6.38 71.29 46.66 -5.19 73.27 46.08 -5.88 73.25 44.69 2 0 49.79-999 ?-999 ?-999 ? O1 PEG F 1 mASN.A 103 -4.33 71.44 47.50 -3.55 72.07 47.56 -4.77 68.98 47.16 -5.40 68.00 47.53 -4.37 70.12 48.15 -5.25 70.16 49.41 2 0 49.90-999 ?-999 ?-999 ? O1 PEG F 1 mLYS.A 104 -4.34 69.11 45.91 -3.76 69.90 45.75 -3.89 66.82 45.11 -4.14 65.82 44.47 -4.72 68.14 44.90 -4.56 68.78 43.51 2 0 51.78-999 ?-999 ?-999 ? O1 PEG F 1 mTHR.A 105 -2.88 66.86 45.98 -2.66 67.79 46.27 -1.74 66.01 47.88 -1.61 67.18 48.21 -2.15 65.67 46.46 -0.87 65.31 45.67 2 0 50.18-999 ?-999 ?-999 ? O1 PEG J 2 mASP.A 106 -1.55 65.00 48.72 -1.74 64.10 48.33 0.43 65.11 50.22 1.01 65.37 51.26 -1.09 65.24 50.10 -1.83 64.34 51.12 2 0 49.13-999 ?-999 ?-999 ? O1 PEG F 1 mLYS.A 107 1.09 64.75 49.12 0.52 64.59 48.32 3.19 65.97 49.06 2.72 66.87 48.38 2.51 64.61 49.12 2.95 63.74 47.94 2 0 46.72-999 ?-999 ?-999 ? O1 PEG F 1 mARG.A 108 4.31 66.10 49.75 4.60 65.29 50.26 6.28 67.28 48.88 6.87 66.20 48.66 5.04 67.35 49.75 5.44 67.78 51.16 2 0 43.01-999 ?-999 ?-999 ? O1 PEG F 1 mLEU^A 109 6.70 68.43 48.38 6.13 69.22 48.60 8.91 69.31 48.40 8.53 70.32 49.02 7.90 68.51 47.57 7.57 69.22 46.28 3 0 40.54-999 ?-999 ?-999 ? O1 PEG F 1 mTHR^A 110 10.17 68.88 48.44 10.36 68.04 47.92 12.24 70.11 48.22 12.45 69.51 47.16 11.18 69.61 49.19 11.90 68.73 50.21 2 0 36.97-999 ?-999 ?-999 ? O1 PEG F 1 mPHE^A 111 12.90 71.20 48.62 12.59 71.56 49.50 15.13 72.00 48.81 14.97 72.36 49.96 13.94 71.83 47.88 13.51 73.22 47.46 3 0 33.87-999 ?-999 ?-999 ? O1 PEG F 1 mASN^A 112 16.32 71.85 48.30 16.32 71.67 47.31 18.32 73.12 48.66 18.90 73.09 47.56 17.52 71.93 49.12 18.33 70.65 48.96 2 0 30.82-999 ?-999 ?-999 ? O1 PEG F 1 mPHE^A 113 18.36 74.15 49.51 17.86 74.00 50.36 20.41 75.44 49.92 20.44 75.39 51.15 19.09 75.39 49.20 18.32 76.62 49.67 3 0 27.50-999 ?-999 ?-999 ? O1 PEG F 1 mGLY^A 114 21.51 75.57 49.17 21.32 75.55 48.18 22.95 77.08 50.47 22.11 77.98 50.29 22.85 75.74 49.75-999.99-999.99-999.99 1 0 24.42-999 ?-999 ?-999 ? O1 PEG F 1 mSER.A 115 24.00 77.22 51.27 24.64 76.45 51.25 24.34 79.66 51.31 24.02 80.74 51.81 24.20 78.39 52.09 25.42 78.20 53.03 2 0 21.09-999 ?-999 ?-999 ? O1 PEG F 1 mHIS.A 116 24.80 79.53 50.07 25.00 78.59 49.81 23.66 81.28 48.72 23.66 82.33 48.10 24.99 80.69 49.21 25.86 80.32 48.00 3 0 20.10-999 ?-999 ?-999 ? O1 PEG F 1 mASN~A 117 22.54 80.62 49.00 22.65 79.78 49.53 20.37 81.41 49.72 19.16 81.19 49.67 21.28 81.14 48.54 20.63 80.21 47.48 2 0 22.98-999 ?-999 ?-999 ? O1 PEG F 1 mSER~A 118 20.95 81.93 50.80 21.93 82.11 50.73 19.25 83.40 51.74 18.19 83.48 52.36 20.17 82.20 51.97 21.05 82.32 53.23 2 0 22.36-999 ?-999 ?-999 ? O1 PEG F 1 mALA~A 119 19.62 84.32 50.87 20.53 84.18 50.48 17.36 84.95 50.02 16.30 85.46 50.41 18.73 85.45 50.54 19.35 86.36 49.51 2 0 22.90-999 ?-999 ?-999 ? O1 PEG F 1 mASP~A 120 17.37 83.95 49.15 18.26 83.57 48.91 15.28 82.86 49.72 14.06 83.09 49.81 16.11 83.49 48.62 16.28 82.45 47.53 2 0 26.45-999 ?-999 ?-999 ? O1 PEG F 1 mVAL~A 121 15.95 82.06 50.57 16.94 82.01 50.40 14.66 82.30 52.63 13.55 82.08 53.09 15.28 81.33 51.63 16.21 80.35 52.35 3 0 27.11-999 ?-999 ?-999 ? O1 PEG F 1 mGLU~A 122 15.37 83.37 52.93 16.24 83.44 52.44 13.76 85.24 53.41 13.20 86.02 54.19 14.91 84.36 53.89 16.08 85.20 54.35 2 0 26.05-999 ?-999 ?-999 ? O1 PEG F 1 mALA.A 123 13.39 85.11 52.14 13.91 84.43 51.63 11.04 85.10 51.46 10.00 85.60 51.10 12.31 85.93 51.58 12.71 86.47 50.17 2 0 28.56-999 ?-999 ?-999 ? O1 PEG F 1 mLEU.A 124 11.14 83.81 51.69 12.06 83.47 51.85 9.22 83.11 53.01 9.73 83.72 53.97 9.94 82.98 51.68 10.33 81.54 51.50 3 0 31.50-999 ?-999 ?-999 ? O1 PEG F 1 mSER.A 125 8.02 82.56 53.06 7.73 82.13 52.20 6.27 81.35 54.37 5.63 80.97 53.41 7.20 82.58 54.27 6.42 83.88 54.29 2 0 33.86-999 ?-999 ?-999 ? O1 PEG F 1 mASN.A 126 6.25 80.68 55.52 6.88 81.03 56.22 3.93 79.99 55.58 3.54 80.99 56.16 5.38 79.53 55.73 5.57 78.91 57.11 2 0 36.42-999 ?-999 ?-999 ? O1 PEG F 1 mGLY.A 127 3.14 79.26 54.79 3.57 78.45 54.40 1.59 80.52 53.31 0.46 80.80 52.93 1.77 79.66 54.57-999.99-999.99-999.99 1 0 39.86-999 ?-999 ?-999 ? O1 PEG F 1 mSER.A 128 2.70 80.93 52.67 3.55 80.62 53.08 2.92 80.93 50.21 3.75 80.01 50.22 2.64 81.75 51.45 3.67 82.88 51.50 2 0 38.79-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 129 2.20 81.26 49.15 1.54 82.00 49.30 3.72 81.06 47.32 4.09 82.20 47.49 2.38 80.60 47.88 1.22 80.95 46.89 3 0 40.05-999 ?-999 ?-999 ? O1 PEG F 1 mALA^A 130 4.48 80.16 46.72 4.12 79.23 46.76 5.92 79.70 44.83 5.27 78.67 44.69 5.73 80.55 46.08 6.92 80.37 46.99 2 0 37.47-999 ?-999 ?-999 ? O1 PEG F 1 mTHR^A 131 6.84 80.13 43.97 7.26 80.99 44.24 8.70 79.34 42.81 9.38 80.36 42.94 7.21 79.43 42.78 6.78 80.17 41.51 2 0 37.65-999 ?-999 ?-999 ? O1 PEG F 1 mILE^A 132 9.20 78.13 42.66 8.52 77.42 42.49 11.06 76.94 41.60 10.39 75.97 41.25 10.62 77.85 42.75 10.91 77.15 44.08 3 0 35.36-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 133 12.17 77.31 40.97 12.55 78.18 41.29 13.84 75.67 40.61 14.57 76.17 41.46 12.79 76.52 39.92 13.50 77.38 38.90 3 0 35.47-999 ?-999 ?-999 ? O1 PEG F 1 mGLY^A 134 13.93 74.40 40.25 13.29 74.11 39.54 15.27 72.45 39.88 14.55 72.25 38.88 14.91 73.52 40.85-999.99-999.99-999.99 1 0 34.90-999 ?-999 ?-999 ? O1 PEG F 1 mGLN^A 135 16.37 71.72 40.17 16.78 71.96 41.05 16.72 69.30 39.87 16.94 69.08 41.05 16.90 70.69 39.29 18.36 70.94 39.02 2 0 33.68-999 ?-999 ?-999 ? O1 PEG J 2 mVAL.A 136 16.32 68.35 39.02 16.16 68.67 38.08 17.46 66.22 39.37 18.11 66.16 38.32 16.15 66.96 39.46 15.12 66.19 38.61 3 0 32.43-999 ?-999 ?-999 ? O1 PEG J 2 mHIS.A 137 17.89 65.74 40.52 17.32 66.02 41.30 18.51 63.51 40.92 17.29 63.35 41.04 19.07 64.89 40.66 19.94 65.39 41.81 3 0 29.88-999 ?-999 ?-999 ? O1 PEG J 2 mGLN.A 138 19.37 62.51 40.99 20.33 62.78 40.93 18.08 60.99 42.46 18.45 61.51 43.51 18.89 61.14 41.16 20.06 60.13 41.09 2 0 28.91-999 ?-999 ?-999 ? O1 PEG J 2 mVAL.A 139 16.93 60.31 42.37 16.72 60.01 41.44 16.31 58.62 44.04 15.97 57.65 43.37 16.07 60.04 43.51 14.62 60.20 43.10 3 0 32.13-999 ?-999 ?-999 ? O1 PEG J 2 mGLN.A 140 16.94 58.50 45.20 17.22 59.38 45.58 16.69 57.24 47.30 16.71 58.25 47.92 17.18 57.21 45.87 18.68 56.83 45.90 2 0 32.14-999 ?-999 ?-999 ? O1 PEG J 2 mASP.A 141 16.31 56.09 47.83 16.33 55.32 47.19 14.74 56.92 49.45 14.58 57.50 50.50 15.89 55.98 49.22 17.04 56.28 50.15 2 0 35.16-999 ?-999 ?-999 ? O1 PEG J 2 mSER.A 142 13.93 57.03 48.42 14.12 56.43 47.65 12.01 57.77 47.19 12.45 57.08 46.26 12.85 57.96 48.45 13.42 59.38 48.51 2 0 37.18-999 ?-999 ?-999 ? O1 PEG J 2 mTHR.A 143 10.78 58.29 47.23 10.55 58.73 48.10 9.60 59.65 45.56 9.07 59.83 44.48 9.87 58.24 46.08 8.56 57.57 46.43 2 0 38.19-999 ?-999 ?-999 ? O1 PEG J 2 mILE.A 144 10.00 60.65 46.34 10.42 60.35 47.19 11.18 62.71 45.85 12.06 62.50 46.68 9.82 62.05 45.95 8.91 62.79 46.96 3 0 38.95-999 ?-999 ?-999 ? O1 PEG J 2 mPRO.A 145 11.39 63.45 44.78 10.64 63.47 44.12 12.78 65.35 45.57 11.79 65.97 45.90 12.65 64.15 44.66 12.63 64.67 43.21 3 0 36.61-999 ?-999 ?-999 ? O1 PEG J 2 mTHR^A 146 14.00 65.62 45.99 14.65 64.89 45.80 15.06 67.65 45.57 16.11 67.24 45.07 14.35 66.86 46.67 15.27 66.63 47.88 2 0 37.06-999 ?-999 ?-999 ? O1 PEG F 1 mLEU^A 147 14.42 68.73 45.14 13.56 68.92 45.61 16.21 70.31 44.59 16.23 70.79 45.73 14.96 69.56 44.08 13.89 70.51 43.53 3 0 35.75-999 ?-999 ?-999 ? O1 PEG F 1 mGLN^A 148 17.23 70.34 43.74 17.00 69.94 42.85 18.78 72.20 43.29 18.10 72.47 42.32 18.54 70.89 44.04 19.60 69.86 43.58 2 0 32.53-999 ?-999 ?-999 ? O1 PEG F 1 mASN^A 149 19.80 72.95 43.74 20.27 72.54 44.52 19.04 75.20 42.83 18.94 75.76 41.78 20.20 74.27 43.13 21.02 74.05 41.88 2 0 29.78-999 ?-999 ?-999 ? O1 PEG F 1 mPRO^A 150 18.14 75.35 43.79 18.35 74.97 44.69 17.06 77.53 43.38 18.00 78.11 43.91 16.94 76.07 43.47 15.99 75.71 44.63 3 0 30.91-999 ?-999 ?-999 ? O1 PEG F 1 mLYS^A 151 16.04 78.13 42.78 15.33 77.50 42.47 14.53 80.04 42.81 13.61 79.54 42.14 15.98 79.59 42.60 16.48 79.96 41.20 2 0 30.45-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 152 14.31 80.93 43.77 15.11 81.22 44.29 12.63 82.43 42.91 13.35 83.39 42.72 12.97 81.42 44.00 12.78 82.03 45.39 3 0 31.60-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^A 153 11.53 82.19 42.20 11.03 81.38 42.49 10.23 84.15 41.61 10.53 85.32 41.40 11.11 83.04 41.09 10.32 82.23 40.05 3 0 34.01-999 ?-999 ?-999 ? O1 PEG F 1 mLYS^A 154 9.15 83.77 42.29 9.03 82.78 42.29 7.44 84.02 44.09 7.68 82.84 44.43 8.24 84.71 42.96 7.26 85.38 41.97 2 0 35.29-999 ?-999 ?-999 ? O1 PEG F 1 mGLN.B 36 26.10 90.24 79.21 27.05 90.35 78.91 24.10 91.45 80.08 24.87 92.32 80.49 24.68 90.08 79.67 24.62 89.08 80.84 2 0 24.31-999 ?-999 ?-999 ? O4 PEG F 1 mPRO.B 37 22.76 91.67 79.94 22.22 90.92 79.56 21.86 93.05 81.86 21.46 92.04 82.46 22.21 92.97 80.36 20.96 93.13 79.47 3 0 26.67-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~B 38 22.02 94.25 82.44 22.33 94.95 81.80 20.32 94.84 84.20 19.48 95.00 83.29 21.77 94.51 83.87-999.99-999.99-999.99 1 0 29.56-999 ?-999 ?-999 ? O4 PEG F 1 mASP~B 39 20.03 94.97 85.50 20.82 94.85 86.09 18.02 96.49 85.35 16.82 96.48 85.07 18.67 95.26 86.01 18.70 95.50 87.53 2 0 33.32-999 ?-999 ?-999 ? O4 PEG F 1 mASP~B 40 18.82 97.54 85.13 19.77 97.39 85.40 17.77 98.53 83.16 16.59 98.75 82.91 18.33 98.79 84.54 19.44 99.86 84.43 2 0 33.24-999 ?-999 ?-999 ? O4 PEG F 1 mALA~B 41 18.64 98.04 82.28 19.56 97.88 82.66 17.16 96.72 80.79 16.27 96.84 79.93 18.29 97.76 80.88 19.53 97.30 80.09 2 0 30.75-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~B 42 17.20 95.70 81.65 17.99 95.71 82.27 14.79 95.32 81.94 13.82 95.04 81.23 16.15 94.68 81.67 16.42 93.57 82.71 3 0 32.37-999 ?-999 ?-999 ? O4 PEG F 1 mALA~B 43 14.73 96.17 82.96 15.61 96.30 83.42 12.85 97.67 82.22 11.63 97.70 82.10 13.49 96.84 83.35 13.75 97.73 84.57 2 0 35.79-999 ?-999 ?-999 ? O4 PEG F 1 mSER~B 44 13.68 98.31 81.40 14.65 98.17 81.59 12.93 98.37 79.01 12.49 98.90 77.99 13.17 99.16 80.31 14.19 100.25 80.02 2 0 34.89-999 ?-999 ?-999 ? O4 PEG F 1 mMETB 45 13.24 97.09 79.06 13.59 96.80 79.95 11.60 95.85 77.85 10.92 95.72 78.88 13.10 96.21 77.93 13.95 94.97 78.28 2 0 33.19-999 ?-999 ?-999 ? C4 PEG F 1 mGLN.B 46 11.06 95.71 76.65 11.71 95.90 75.91 9.50 93.82 76.71 10.41 93.05 76.41 9.64 95.32 76.46 9.12 95.65 75.04 2 0 35.42-999 ?-999 ?-999 ? C4 PEG F 1 mTHR^B 47 8.36 93.42 77.25 7.71 94.16 77.41 7.27 91.41 76.50 6.19 91.88 76.21 8.08 92.04 77.58 7.21 91.95 78.85 2 0 37.03-999 ?-999 ?-999 ? C4 PEG F 1 mTYR^B 48 7.80 90.37 75.88 8.73 90.14 76.17 6.33 88.49 75.52 6.75 87.97 76.54 7.08 89.64 74.87 8.06 88.89 73.96 3 0 36.85-999 ?-999 ?-999 ? C4 PEG F 1 mSER^B 49 5.25 88.05 74.89 4.90 88.66 74.18 5.33 85.76 74.31 6.06 86.14 73.36 4.63 86.79 75.25 3.14 86.80 74.98 2 0 39.46-999 ?-999 ?-999 ? C4 PEG F 1 mVAL~B 50 5.09 84.49 74.54 4.46 84.31 75.30 5.15 83.50 72.32 5.90 83.45 71.36 5.69 83.44 73.74 5.49 82.04 74.41 3 0 38.45-999 ?-999 ?-999 ? C4 PEG F 1 mALA~B 51 3.85 83.67 72.17 3.33 83.76 73.02 3.85 84.87 70.04 4.15 84.72 68.86 3.27 83.72 70.83 1.75 83.81 70.89 2 0 39.59-999 ?-999 ?-999 ? O1 PEG F 1 mGLN~B 52 4.02 86.03 70.68 3.73 86.01 71.64 6.06 86.99 69.63 6.48 87.43 68.58 4.59 87.20 70.01 4.47 88.46 70.86 2 0 37.52-999 ?-999 ?-999 ? O1 PEG F 1 mPHE~B 53 6.85 86.32 70.47 6.39 85.98 71.30 8.46 85.04 69.11 9.37 85.10 68.29 8.27 86.11 70.16 9.10 85.81 71.42 3 0 34.33-999 ?-999 ?-999 ? O1 PEG F 1 mLEU~B 54 7.55 84.07 69.10 6.83 84.17 69.79 7.03 83.21 66.80 7.34 82.47 65.87 7.65 82.97 68.15 7.11 81.66 68.76 3 0 34.87-999 ?-999 ?-999 ? O1 PEG F 1 mGLN~B 55 6.17 84.23 66.66 6.02 84.77 67.49 6.54 84.56 64.24 6.42 83.84 63.28 5.51 84.50 65.38 4.58 85.74 65.41 2 0 35.79-999 ?-999 ?-999 ? O1 PEG F 1 mPRO~B 56 7.55 85.40 64.35 7.59 85.95 65.19 9.17 84.11 62.92 9.43 83.85 61.75 8.50 85.46 63.25 9.54 86.50 63.72 3 0 32.30-999 ?-999 ?-999 ? O1 PEG F 1 mPHE~B 57 9.46 83.29 63.93 9.25 83.65 64.84 9.05 81.01 63.05 9.44 80.14 62.27 10.04 81.97 63.71 10.58 81.38 65.02 3 0 31.80-999 ?-999 ?-999 ? O1 PEG F 1 mTHR~B 58 7.78 81.19 63.36 7.60 81.91 64.03 6.68 80.74 61.26 6.45 79.86 60.43 6.74 80.41 62.75 5.41 80.67 63.46 2 0 35.20-999 ?-999 ?-999 ? O1 PEG F 1 mLEU~B 59 6.91 82.00 60.93 7.13 82.59 61.70 8.10 82.00 58.74 7.99 81.47 57.64 6.86 82.44 59.55 6.67 83.96 59.52 3 0 34.14-999 ?-999 ?-999 ? O1 PEG F 1 mASN~B 60 9.29 82.22 59.30 9.24 82.64 60.21 11.63 81.90 59.67 12.10 82.97 60.05 10.53 81.89 58.63 10.84 82.87 57.50 2 0 30.76-999 ?-999 ?-999 ? O1 PEG F 1 mPRO~B 61 12.00 80.72 60.19 11.53 79.92 59.82 14.39 80.99 60.69 15.23 81.32 61.48 13.01 80.65 61.22 12.91 79.21 61.72 3 0 29.10-999 ?-999 ?-999 ? O1 PEG F 1 mALA~B 62 14.61 80.93 59.38 13.83 80.60 58.84 16.01 82.86 58.93 17.00 83.38 59.43 15.90 81.34 58.83 16.04 80.88 57.39 2 0 25.96-999 ?-999 ?-999 ? O1 PEG F 1 mLYS~B 63 14.97 83.58 58.47 14.22 83.05 58.08 14.98 85.50 60.01 15.73 86.40 60.35 14.96 85.01 58.57 13.75 85.62 57.87 2 0 25.61-999 ?-999 ?-999 ? O1 PEG F 1 mALA~B 64 14.13 84.91 60.85 13.59 84.17 60.44 15.31 85.15 62.96 15.76 86.04 63.67 14.00 85.34 62.22 12.84 84.62 62.95 2 0 26.86-999 ?-999 ?-999 ? O1 PEG F 1 mSER~B 65 15.92 84.00 62.76 15.45 83.37 62.15 18.21 84.75 63.00 19.00 85.22 63.81 17.19 83.72 63.40 17.73 82.36 63.04 2 0 24.58-999 ?-999 ?-999 ? O1 PEG F 1 mSER~B 66 18.19 85.10 61.74 17.50 84.66 61.17 18.84 87.47 61.78 19.76 88.18 62.16 19.13 86.06 61.25 19.16 86.00 59.74 2 0 21.63-999 ?-999 ?-999 ? O1 PEG F 1 mASP~B 67 17.58 87.87 61.81 16.92 87.20 61.46 17.49 89.36 63.81 17.83 90.45 64.22 17.19 89.18 62.32 15.70 89.41 62.16 2 0 23.13-999 ?-999 ?-999 ? O1 PEG F 1 mTYR~B 68 17.33 88.29 64.59 17.06 87.48 64.08 18.87 87.88 66.54 19.12 87.86 67.75 17.51 88.31 66.04 16.48 87.36 66.71 3 0 24.00-999 ?-999 ?-999 ? O1 PEG F 1 mLEU~B 69 19.75 87.48 65.62 19.47 87.63 64.67 21.80 87.76 67.04 22.08 88.93 66.76 21.02 86.88 66.04 21.89 86.55 64.83 3 0 21.09-999 ?-999 ?-999 ? O1 PEG F 1 mGLY.B 70 22.13 87.18 68.20 21.83 86.23 68.28 22.08 88.87 70.08 22.60 89.42 71.03 22.87 87.86 69.25-999.99-999.99-999.99 1 0 20.30-999 ?-999 ?-999 ? C4 PEG F 1 mLYS.B 71 20.81 89.11 69.71 20.51 88.58 68.93 19.30 89.43 71.61 19.13 88.24 71.69 19.95 90.06 70.39 18.91 90.64 69.43 2 0 23.23-999 ?-999 ?-999 ? C4 PEG F 1 mTRP^B 72 18.95 90.26 72.59 19.13 91.23 72.38 16.90 90.10 73.81 16.50 91.13 73.24 18.38 89.80 73.84 19.01 90.55 75.01 3 0 26.14-999 ?-999 ?-999 ? C4 PEG F 1 mVAL^B 73 16.10 89.21 74.43 16.59 88.45 74.85 14.15 88.93 75.86 14.75 88.10 76.52 14.66 89.35 74.49 13.94 88.53 73.40 3 0 29.76-999 ?-999 ?-999 ? C4 PEG F 1 mLYS^B 74 13.06 89.54 76.29 12.69 90.21 75.64 11.13 88.63 77.32 10.21 89.27 76.79 12.48 89.27 77.57 12.31 90.58 78.34 2 0 33.12-999 ?-999 ?-999 ? C4 PEG F 1 mVAL^B 75 11.01 87.37 77.67 11.80 86.96 78.12 9.08 86.21 78.66 9.69 85.65 79.55 9.79 86.67 77.41 10.05 85.45 76.56 3 0 35.62-999 ?-999 ?-999 ? C4 PEG F 1 mARG^B 76 7.77 86.41 78.69 7.41 86.87 77.88 6.09 84.79 79.42 5.52 84.77 78.34 6.95 85.99 79.82 6.07 87.18 80.25 2 0 39.30-999 ?-999 ?-999 ? C4 PEG F 1 mGLY^B 77 5.96 83.81 80.30 6.49 83.93 81.14 4.93 81.73 81.19 5.30 82.08 82.29 5.11 82.66 80.01-999.99-999.99-999.99 1 0 41.53-999 ?-999 ?-999 ? C4 PEG F 1 mVAL^B 78 4.37 80.54 80.95 4.13 80.40 79.99 5.12 78.42 81.86 5.16 77.74 80.82 4.13 79.55 82.00 2.70 79.01 81.92 3 0 43.98-999 ?-999 ?-999 ? C4 PEG F 1 mILE^B 79 5.95 78.23 82.89 5.82 78.85 83.67 6.23 75.87 82.86 5.32 75.68 83.66 6.96 77.20 82.85 7.93 77.32 84.03 3 0 42.71-999 ?-999 ?-999 ? C4 PEG F 1 mVAL^B 80 6.55 74.99 81.93 7.27 75.31 81.31 6.89 72.56 82.11 6.47 71.45 82.29 5.91 73.68 81.84 5.23 73.40 80.47 3 0 44.31-999 ?-999 ?-999 ? C4 PEG F 1 mASP^B 81 8.18 72.84 82.13 8.39 73.80 81.93 10.54 72.42 82.80 11.01 73.37 82.18 9.18 71.81 82.42 9.35 70.87 81.22 2 0 42.81-999 ?-999 ?-999 ? C4 PEG F 1 mILE^B 82 11.15 71.81 83.82 10.60 71.06 84.18 13.21 70.85 84.52 12.70 69.90 85.07 12.45 72.16 84.38 12.30 72.76 85.76 3 0 41.18-999 ?-999 ?-999 ? O4 PEG F 1 mARG^B 83 14.45 70.81 84.08 14.84 71.69 83.82 16.66 69.72 83.94 17.19 70.46 83.10 15.16 69.54 84.00 14.66 68.94 82.71 2 0 40.39-999 ?-999 ?-999 ? O4 PEG F 1 mARG^B 84 17.35 69.05 84.86 16.78 68.56 85.51 19.24 67.97 83.90 18.67 66.89 83.90 18.81 69.05 84.88 19.28 68.75 86.28 2 0 38.81-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^B 85 20.24 68.28 83.08 20.64 69.17 83.27 22.24 67.23 82.06 22.97 68.15 82.44 20.71 67.41 82.00 20.32 68.07 80.66 2 0 37.09-999 ?-999 ?-999 ? O4 PEG F 1 mSER^B 86 22.71 66.04 81.70 22.00 65.37 81.47 24.77 66.45 80.48 24.25 66.40 79.39 24.15 65.74 81.64 24.41 64.26 81.38 2 0 36.16-999 ?-999 ?-999 ? O4 PEG F 1 mGLY.B 87 25.93 67.05 80.71 26.29 66.94 81.64 27.81 67.09 79.14 28.21 66.06 79.67 26.60 67.81 79.65-999.99-999.99-999.99 1 0 32.49-999 ?-999 ?-999 ? O4 PEG F 1 mILE.B 88 28.40 67.65 78.10 27.94 68.47 77.75 30.77 67.60 78.41 30.65 68.62 79.09 29.60 67.10 77.54 29.85 67.59 76.10 3 0 30.61-999 ?-999 ?-999 ? O4 PEG F 1 mALA.B 89 31.88 66.88 78.39 31.79 66.04 77.86 32.90 67.82 80.53 33.16 69.01 80.83 33.10 67.32 79.08 33.84 68.39 78.22 2 0 29.98-999 ?-999 ?-999 ? O4 PEG F 1 mGLY.B 90 32.43 66.89 81.39 32.18 66.04 80.93 31.22 68.02 83.34 31.05 68.16 84.55 32.30 67.08 82.84-999.99-999.99-999.99 1 0 32.59-999 ?-999 ?-999 ? O4 PEG F 1 mSER.B 91 30.46 68.62 82.44 30.62 68.32 81.49 28.05 69.12 82.90 27.73 68.03 82.49 29.49 69.62 82.79 29.50 70.70 81.70 2 0 31.77-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^B 92 27.19 69.95 83.46 27.62 70.76 83.87 25.09 71.05 83.15 25.75 72.09 83.21 25.74 69.71 83.47 25.25 69.12 84.80 3 0 33.80-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^B 93 23.84 71.02 82.71 23.46 70.11 82.62 21.65 71.98 82.66 21.30 70.88 83.07 23.12 72.25 82.41 23.37 72.70 80.98 3 0 33.04-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^B 94 20.80 72.98 82.41 21.23 73.80 82.05 18.57 73.39 81.44 18.93 74.40 80.85 19.37 72.86 82.65 18.92 73.68 83.86 3 0 35.15-999 ?-999 ?-999 ? O4 PEG F 1 mILE^B 95 17.48 72.69 81.11 17.37 71.85 81.63 15.25 73.47 80.80 14.76 72.72 81.65 16.53 73.11 80.09 16.18 71.98 79.11 3 0 35.62-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^B 96 14.71 74.62 80.44 15.25 75.10 79.75 12.58 75.50 79.84 12.98 76.28 78.95 13.47 75.15 81.01 13.73 76.40 81.82 3 0 37.42-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^B 97 11.37 74.94 79.84 11.17 74.42 80.67 9.27 75.89 79.20 8.75 75.69 80.30 10.44 75.06 78.74 9.98 73.68 78.36 2 0 38.73-999 ?-999 ?-999 ? C4 PEG F 1 mMETB 98 8.81 76.76 78.31 9.25 76.69 77.41 6.71 77.78 77.54 7.04 77.78 76.37 7.78 77.74 78.62 8.48 79.09 78.72 2 0 39.89-999 ?-999 ?-999 ? C4 PEG F 1 mARG^B 99 5.43 77.82 77.93 5.29 77.76 78.92 3.75 79.33 77.05 3.98 80.07 78.01 4.34 77.95 76.98 3.23 76.92 77.22 2 0 42.14-999 ?-999 ?-999 ? C4 PEG F 1 mASP.B 100 2.94 79.65 76.04 2.84 78.95 75.33 1.27 80.98 77.11 0.45 80.08 77.24 2.28 80.93 75.99 1.56 81.14 74.66 2 0 42.85-999 ?-999 ?-999 ? C4 PEG F 1 mGLU.B 101 1.30 82.08 77.86 1.98 82.75 77.56 -1.04 82.11 78.62 -1.83 81.56 79.37 0.44 82.27 79.02 0.74 83.65 79.68 2 0 45.34-999 ?-999 ?-999 ? C4 PEG F 1 mGLN.B 102 -1.40 82.51 77.41 -0.66 82.89 76.85 -3.02 81.21 76.02 -4.08 81.12 75.43 -2.77 82.37 76.98 -3.23 83.69 76.36 2 0 47.55-999 ?-999 ?-999 ? C4 PEG F 1 mASN.B 103 -2.06 80.30 75.85 -1.26 80.44 76.44 -2.45 79.73 73.46 -3.07 79.07 72.65 -2.20 79.21 74.88 -3.31 78.22 75.30 2 0 47.04-999 ?-999 ?-999 ? O1 PEG F 1 mLYS.B 104 -1.93 80.92 73.16 -1.36 81.30 73.88 -1.38 80.87 70.78 -1.69 81.00 69.62 -2.17 81.59 71.88 -1.77 83.08 72.01 2 0 45.40-999 ?-999 ?-999 ? O1 PEG F 1 mTHR.B 105 -0.32 80.15 71.15 -0.09 80.26 72.11 0.63 77.98 70.97 0.63 77.99 72.20 0.44 79.29 70.22 1.86 79.83 69.83 2 0 43.08-999 ?-999 ?-999 ? O1 PEG F 1 mASP.B 106 0.79 76.87 70.27 0.72 76.97 69.27 2.54 75.25 71.04 2.93 74.29 71.66 1.03 75.60 70.99 0.15 74.44 70.47 2 0 43.90-999 ?-999 ?-999 ? O2 PEG F 1 mLYS.B 107 3.35 76.09 70.40 2.87 76.84 69.95 5.38 76.38 71.69 4.93 77.36 72.25 4.78 75.92 70.37 5.39 76.72 69.21 2 0 40.22-999 ?-999 ?-999 ? O2 PEG F 1 mARG.B 108 6.36 75.62 72.16 6.60 74.84 71.57 8.40 76.54 73.18 9.10 76.18 72.26 7.04 75.89 73.41 7.23 74.61 74.22 2 0 39.16-999 ?-999 ?-999 ? O2 PEG F 1 mLEU^B 109 8.77 77.47 74.05 8.07 77.64 74.74 10.94 77.54 75.03 10.51 77.29 76.15 10.05 78.19 74.01 9.84 79.67 74.37 3 0 36.01-999 ?-999 ?-999 ? C4 PEG F 1 mTHR^B 110 12.20 77.27 74.71 12.48 77.52 73.78 14.23 77.58 75.99 14.57 78.45 75.20 13.06 76.65 75.69 13.55 75.24 75.31 2 0 34.67-999 ?-999 ?-999 ? C4 PEG F 1 mPHE^B 111 14.81 77.39 77.16 14.39 76.66 77.70 17.01 77.18 78.14 16.70 76.20 78.83 15.96 78.16 77.64 15.55 79.03 78.84 3 0 32.63-999 ?-999 ?-999 ? C4 PEG F 1 mASN^B 112 18.26 77.48 77.84 18.36 78.31 77.29 20.17 77.42 79.34 20.86 78.38 79.03 19.37 76.67 78.28 20.25 76.35 77.07 2 0 30.97-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^B 113 20.10 76.96 80.59 19.49 76.18 80.69 22.11 76.74 82.04 22.00 75.54 82.30 20.87 77.57 81.70 20.06 77.63 82.98 3 0 31.39-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^B 114 23.27 77.39 82.07 23.22 78.34 81.78 24.46 76.44 84.00 23.59 76.94 84.75 24.49 76.75 82.49-999.99-999.99-999.99 1 0 29.96-999 ?-999 ?-999 ? O4 PEG F 1 mSER.B 115 25.42 75.63 84.43 26.08 75.32 83.74 25.72 76.41 86.74 25.30 76.38 87.92 25.50 75.22 85.80 26.58 74.14 86.00 2 0 32.40-999 ?-999 ?-999 ? O4 PEG F 1 mHIS.B 116 26.34 77.46 86.22 26.59 77.35 85.26 25.37 79.46 87.40 25.45 80.31 88.25 26.63 78.67 87.01 27.63 79.57 86.27 3 0 31.23-999 ?-999 ?-999 ? O4 PEG F 1 mASN~B 117 24.23 79.16 86.80 24.28 78.41 86.14 21.93 78.92 87.58 20.77 79.05 87.22 23.01 79.88 87.10 22.52 80.69 85.86 2 0 32.82-999 ?-999 ?-999 ? O4 PEG F 1 mSER~B 118 22.32 77.97 88.40 23.29 77.96 88.61 20.47 77.65 90.01 19.34 77.18 90.22 21.36 77.01 88.95 22.07 75.80 89.54 2 0 36.15-999 ?-999 ?-999 ? O4 PEG F 1 mALA~B 119 20.97 78.68 90.69 21.93 78.90 90.48 18.85 79.87 90.94 17.76 79.65 91.46 20.14 79.41 91.65 20.87 80.58 92.24 2 0 38.05-999 ?-999 ?-999 ? O4 PEG F 1 mASP~B 120 18.96 80.48 89.75 19.90 80.59 89.42 16.82 79.77 88.70 15.62 79.88 88.90 17.76 80.94 89.03 18.09 81.62 87.69 2 0 37.16-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~B 121 17.36 78.67 88.22 18.36 78.70 88.13 15.83 76.94 89.06 14.65 76.62 88.97 16.56 77.51 87.85 17.40 76.43 87.18 3 0 38.21-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~B 122 16.51 76.86 90.19 17.45 77.20 90.14 14.74 77.14 91.97 13.98 76.65 92.78 15.89 76.31 91.39 16.95 76.05 92.47 2 0 41.45-999 ?-999 ?-999 ? O4 PEG F 1 mALA~B 123 14.61 78.40 91.57 15.26 78.70 90.87 12.32 79.22 91.25 11.27 79.75 91.66 13.57 79.24 92.12 14.08 80.66 92.31 2 0 42.56-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~B 124 12.43 78.60 90.07 13.35 78.24 89.89 10.43 77.32 89.54 10.79 76.51 90.40 11.35 78.46 89.14 11.90 78.17 87.75 3 0 42.38-999 ?-999 ?-999 ? O4 PEG F 1 mSER.B 125 9.25 77.23 88.90 9.09 77.91 88.18 7.36 75.75 88.14 6.71 76.57 87.50 8.29 76.19 89.27 7.44 76.70 90.43 2 0 45.41-999 ?-999 ?-999 ? O4 PEG F 1 mASN.B 126 7.27 74.45 87.91 7.86 73.88 88.47 4.92 74.41 87.14 4.37 74.23 88.23 6.34 73.96 86.89 6.40 72.44 86.77 2 0 46.33-999 ?-999 ?-999 ? O4 PEG F 1 mGLY.B 127 4.33 74.99 86.10 4.90 75.02 85.28 2.98 77.01 86.53 1.96 77.65 86.35 2.99 75.53 86.15-999.99-999.99-999.99 1 0 48.09-999 ?-999 ?-999 ? O4 PEG F 1 mSER.B 128 4.09 77.56 87.03 4.88 76.96 87.10 4.61 79.89 86.38 5.46 79.53 85.56 4.09 78.94 87.44 4.89 79.11 88.72 2 0 46.87-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^B 129 4.07 81.11 86.41 3.40 81.24 87.14 5.81 82.69 85.79 6.22 82.80 86.94 4.42 82.16 85.48 3.34 83.31 85.49 3 0 44.87-999 ?-999 ?-999 ? O4 PEG F 1 mALA^B 130 6.55 83.00 84.73 6.12 82.85 83.84 8.22 84.42 83.70 7.68 84.24 82.63 7.87 83.53 84.90 8.84 82.40 85.04 2 0 41.44-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^B 131 9.13 85.37 83.93 9.41 85.43 84.89 11.17 85.99 82.90 11.82 86.07 83.94 9.67 86.25 82.92 9.40 87.75 83.25 2 0 38.49-999 ?-999 ?-999 ? O4 PEG F 1 mILE^B 132 11.72 85.67 81.73 11.06 85.65 80.97 13.72 86.12 80.37 13.10 86.22 79.32 13.13 85.35 81.57 13.36 83.84 81.34 3 0 35.00-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^B 133 14.90 86.71 80.57 15.21 86.66 81.52 16.64 86.35 78.98 17.20 85.58 79.74 15.66 87.38 79.53 16.44 88.58 80.07 3 0 31.52-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^B 134 16.81 86.31 77.67 16.28 86.99 77.18 18.23 85.85 75.72 17.67 86.77 75.14 17.70 85.33 77.04-999.99-999.99-999.99 1 0 28.83-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^B 135 19.30 85.23 75.24 19.64 84.47 75.79 19.67 84.67 72.87 19.80 83.45 73.08 19.92 85.67 73.99 21.41 85.83 74.19 2 0 25.35-999 ?-999 ?-999 ? C4 PEG F 1 mVAL.B 136 19.33 85.18 71.68 19.25 86.17 71.64 20.42 83.99 69.89 21.15 84.88 69.50 19.10 84.31 70.54 18.21 85.00 69.48 3 0 24.90-999 ?-999 ?-999 ? C4 PEG F 1 mHIS.B 137 20.74 82.70 69.81 20.11 82.10 70.30 21.35 81.57 67.81 20.13 81.41 67.67 21.91 82.23 69.07 22.71 81.24 69.88 3 0 22.57-999 ?-999 ?-999 ? C4 PEG F 1 mGLN.B 138 22.24 81.19 66.90 23.19 81.31 67.17 20.90 79.47 65.78 21.21 78.55 66.52 21.84 80.66 65.61 23.07 80.23 64.83 2 0 21.99-999 ?-999 ?-999 ? O2 PEG F 1 mVAL.B 139 19.77 79.51 65.10 19.64 80.33 64.55 19.08 77.46 63.97 18.99 77.89 62.83 18.82 78.41 65.16 17.41 78.96 65.11 3 0 25.44-999 ?-999 ?-999 ? O2 PEG F 1 mGLN.B 140 19.45 76.22 64.26 19.55 76.06 65.24 19.09 73.89 63.69 18.92 73.64 64.87 19.70 75.19 63.26 21.19 74.93 63.02 2 0 25.91-999 ?-999 ?-999 ? O2 PEG F 1 mASP.B 141 18.75 73.06 62.71 18.94 73.41 61.80 16.93 71.86 63.87 16.60 70.96 64.59 18.15 71.75 62.98 19.20 70.82 63.59 2 0 29.10-999 ?-999 ?-999 ? O2 PEG F 1 mSER.B 142 16.27 73.00 63.78 16.68 73.65 63.14 14.45 74.55 63.97 15.08 75.25 63.16 15.06 73.28 64.53 15.36 73.43 66.02 2 0 30.99-999 ?-999 ?-999 ? O2 PEG F 1 mTHR.B 143 13.23 74.84 64.39 12.85 74.18 65.03 12.29 76.96 65.10 11.96 78.10 64.87 12.52 76.00 63.95 11.17 75.60 63.29 2 0 31.86-999 ?-999 ?-999 ? O2 PEG F 1 mILE.B 144 12.49 76.53 66.33 12.84 75.59 66.36 13.55 77.56 68.26 14.27 76.63 68.55 12.24 77.33 67.53 11.28 76.60 68.50 3 0 32.27-999 ?-999 ?-999 ? O2 PEG F 1 mPRO.B 145 13.86 78.79 68.58 13.21 79.51 68.33 15.13 78.50 70.69 14.07 78.49 71.34 15.12 79.00 69.26 15.24 80.51 69.29 3 0 29.61-999 ?-999 ?-999 ? O2 PEG F 1 mTHR^B 146 16.29 78.05 71.15 17.00 77.95 70.45 17.35 78.92 72.98 18.51 79.02 72.57 16.51 77.72 72.54 17.30 76.43 72.75 2 0 30.13-999 ?-999 ?-999 ? O2 PEG F 1 mLEU^B 147 16.77 79.81 73.78 15.83 79.60 74.07 18.66 80.68 75.11 18.55 79.79 75.97 17.48 81.00 74.19 16.51 81.96 74.85 3 0 28.77-999 ?-999 ?-999 ? C4 PEG F 1 mGLN^B 148 19.78 81.38 74.96 19.71 82.09 74.25 21.35 82.19 76.82 20.74 83.26 76.83 21.00 81.12 75.74 22.19 80.97 74.79 2 0 26.63-999 ?-999 ?-999 ? O4 PEG F 1 mASN^B 149 22.33 81.89 77.69 22.74 81.00 77.51 21.58 83.52 79.40 21.58 84.72 79.48 22.76 82.75 78.80 23.92 83.68 78.38 2 0 26.41-999 ?-999 ?-999 ? O4 PEG F 1 mPRO^B 150 20.58 82.78 79.89 20.72 81.79 79.87 19.39 83.88 81.82 20.16 83.37 82.63 19.37 83.42 80.39 18.31 82.33 80.22 3 0 29.72-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^B 151 18.53 84.84 82.11 17.96 85.14 81.34 16.95 85.56 83.80 16.18 86.13 83.03 18.43 85.39 83.46 19.19 86.72 83.53 2 0 31.93-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^B 152 16.57 85.02 84.95 17.29 84.53 85.44 15.02 86.53 86.00 15.82 86.96 86.81 15.20 85.13 85.43 14.90 84.09 86.51 3 0 35.66-999 ?-999 ?-999 ? O4 PEG F 1 mVAL.B 153 14.00 87.23 85.52 13.47 86.77 84.80 12.80 88.36 87.21 11.63 88.02 87.05 13.69 88.56 86.01 12.95 89.39 84.97 3 0 36.81-999 ?-999 ?-999 ? O4 PEG F 1 mLYS.B 154 13.38 88.51 88.39 14.35 88.75 88.31 12.33 89.72 90.22 11.18 89.94 90.64 12.69 88.34 89.68 13.60 87.66 90.73 2 0 39.97-999 ?-999 ?-999 ? O4 PEG F 1 mGLN.C 36 24.98 54.66 105.08 25.75 55.28 105.00 23.34 53.75 106.65 24.18 53.67 107.55 23.82 53.72 105.19 24.26 52.32 104.69 2 0 59.24-999 ?-999 ?-999 ? O4 PEG F 1 mPRO.C 37 22.02 53.99 106.91 21.47 54.18 106.10 20.98 52.57 108.76 20.43 51.76 107.97 21.47 53.96 108.27 20.29 54.94 108.17 3 0 62.08-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~C 38 21.17 52.33 110.07 21.59 53.09 110.55 19.31 50.88 110.90 18.53 51.82 110.79 20.80 51.07 110.72-999.99-999.99-999.99 1 0 65.82-999 ?-999 ?-999 ? O4 PEG F 1 mASP~C 39 18.91 49.65 111.22 19.66 49.01 111.34 16.72 50.12 112.41 15.52 50.36 112.22 17.49 49.30 111.37 17.34 47.79 111.64 2 0 68.49-999 ?-999 ?-999 ? O4 PEG F 1 mASP~C 40 17.38 50.56 113.49 18.33 50.24 113.55 16.39 52.78 113.83 15.24 53.20 113.86 16.72 51.44 114.49 17.58 51.67 115.76 2 0 69.78-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 41 17.38 53.44 113.25 18.27 52.99 113.30 16.04 54.63 111.54 15.24 55.55 111.41 17.16 54.73 112.59 18.44 55.23 111.96 2 0 66.38-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~C 42 15.97 53.52 110.82 16.69 52.85 111.04 13.56 53.13 110.39 12.61 53.75 109.95 14.95 53.30 109.79 15.26 52.05 108.92 3 0 66.00-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 43 13.45 52.26 111.39 14.31 51.80 111.64 11.55 53.34 112.54 10.35 53.55 112.41 12.17 52.02 112.05 12.33 51.04 113.20 2 0 69.50-999 ?-999 ?-999 ? O4 PEG F 1 mSER~C 44 12.39 54.24 113.04 13.35 53.95 113.06 11.98 56.61 112.47 12.32 57.75 112.78 11.95 55.53 113.53 12.83 55.99 114.71 2 0 68.79-999 ?-999 ?-999 ? O4 PEG F 1 mMETC 45 11.69 56.29 111.22 11.57 55.32 111.05 10.10 57.56 109.85 9.25 56.69 110.12 11.59 57.36 110.19 12.38 57.05 108.92 2 0 65.58-999 ?-999 ?-999 ? O4 PEG F 1 mGLN.C 46 9.79 58.73 109.29 10.56 59.37 109.20 8.28 58.28 107.54 9.20 58.25 106.75 8.43 59.03 108.84 8.16 60.55 108.60 2 0 65.33-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^C 47 7.13 57.65 107.33 6.50 57.66 108.11 6.19 58.03 105.15 5.26 58.70 105.54 6.84 57.00 106.07 5.87 55.82 106.22 2 0 65.29-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^C 48 6.73 58.17 103.96 7.57 57.65 103.84 5.26 58.13 102.01 5.56 56.94 101.81 6.14 59.01 102.91 7.20 59.53 101.93 3 0 62.59-999 ?-999 ?-999 ? O4 PEG F 1 mSER^C 49 4.20 58.69 101.44 3.95 59.59 101.81 4.27 58.44 99.10 5.03 59.40 99.15 3.49 57.99 100.36 2.05 58.42 100.25 2 0 63.11-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~C 50 4.09 57.74 97.99 3.49 56.95 98.08 4.34 59.54 96.30 5.18 60.33 95.93 4.74 58.13 96.77 4.43 57.11 95.67 3 0 60.18-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 51 3.05 59.85 96.29 2.44 59.10 96.55 3.33 62.27 96.80 3.83 63.27 96.31 2.62 61.20 95.92 1.08 61.32 96.03 2 0 59.47-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~C 52 3.37 62.03 98.10 2.92 61.18 98.38 5.48 63.22 98.67 5.89 64.36 98.67 4.04 62.97 99.01 3.94 62.49 100.46 2 0 59.50-999 ?-999 ?-999 ? O4 PEG F 1 mPHE~C 53 6.22 62.17 98.35 5.71 61.30 98.32 7.95 62.90 96.73 8.88 63.67 96.60 7.64 62.29 98.08 8.34 60.93 98.20 3 0 57.00-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~C 54 7.17 62.53 95.72 6.46 61.87 95.96 6.84 64.47 94.19 7.32 65.14 93.29 7.35 63.05 94.39 6.70 62.12 93.34 3 0 54.59-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~C 55 5.91 64.96 94.99 5.64 64.34 95.73 6.47 67.37 94.50 6.47 67.99 93.47 5.36 66.32 94.74 4.33 66.75 95.82 2 0 54.54-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~C 56 7.44 67.53 95.40 7.38 66.94 96.21 9.26 68.35 93.79 9.64 69.32 93.15 8.51 68.54 95.12 9.47 68.43 96.31 3 0 51.71-999 ?-999 ?-999 ? O4 PEG F 1 mPHE~C 57 9.44 67.11 93.35 9.12 66.41 93.99 9.15 67.20 90.89 9.62 67.53 89.81 10.06 66.84 92.05 10.47 65.39 91.97 3 0 49.60-999 ?-999 ?-999 ? O4 PEG F 1 mTHR~C 58 7.85 67.14 91.12 7.61 66.80 92.03 6.90 69.08 89.96 6.71 69.57 88.86 6.88 67.55 90.13 5.46 67.06 90.54 2 0 50.33-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~C 59 7.14 69.82 91.06 7.23 69.28 91.89 8.55 71.77 90.35 8.52 72.55 89.42 7.24 71.29 91.01 7.11 71.89 92.41 3 0 48.95-999 ?-999 ?-999 ? O4 PEG F 1 mASN~C 60 9.69 71.29 90.85 9.56 70.66 91.61 12.01 70.55 90.64 12.55 70.50 91.73 11.01 71.66 90.32 11.47 73.00 90.93 2 0 45.76-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~C 61 12.24 69.64 89.70 11.77 69.76 88.82 14.57 68.96 90.31 15.26 68.24 91.01 13.15 68.54 90.02 13.08 67.64 88.80 3 0 45.59-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 62 14.99 70.11 89.80 14.34 70.59 89.20 16.42 70.98 91.59 17.40 70.65 92.26 16.32 70.62 90.11 16.63 71.80 89.29 2 0 42.68-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~C 63 15.40 71.67 92.10 14.64 71.83 91.46 15.26 70.99 94.42 15.98 70.89 95.39 15.41 72.15 93.47 14.32 73.18 93.72 2 0 44.77-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 64 14.31 70.11 94.12 13.78 70.33 93.30 15.31 68.05 95.01 15.64 67.55 96.07 14.07 68.94 94.93 12.86 68.16 94.41 2 0 47.96-999 ?-999 ?-999 ? O4 PEG F 1 mSER~C 65 15.99 67.87 93.88 15.62 68.36 93.09 18.24 67.58 94.77 18.83 66.86 95.59 17.17 67.02 93.82 17.70 66.94 92.40 2 0 46.40-999 ?-999 ?-999 ? O4 PEG F 1 mSER~C 66 18.43 68.88 94.66 17.91 69.32 93.93 18.93 69.53 97.04 19.74 69.21 97.91 19.35 69.58 95.53 19.50 71.00 95.02 2 0 45.20-999 ?-999 ?-999 ? O4 PEG F 1 mASP~C 67 17.66 69.82 97.35 17.10 70.08 96.56 17.30 68.34 99.35 17.48 68.20 100.54 17.18 69.76 98.74 15.69 70.17 98.86 2 0 48.58-999 ?-999 ?-999 ? O4 PEG F 1 mTYR~C 68 17.14 67.30 98.53 16.99 67.53 97.56 18.49 65.22 98.82 18.64 64.11 99.30 17.17 65.95 99.02 16.07 65.11 98.37 3 0 50.54-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~C 69 19.44 65.85 98.14 19.22 66.79 97.90 21.36 64.54 98.99 21.51 65.19 100.00 20.69 65.18 97.77 21.64 66.18 97.09 3 0 48.38-999 ?-999 ?-999 ? O4 PEG F 1 mGLY.C 70 21.70 63.26 98.90 21.47 62.83 98.03 21.47 62.08 101.12 21.93 61.25 101.92 22.36 62.58 99.98-999.99-999.99-999.99 1 0 50.71-999 ?-999 ?-999 ? O4 PEG F 1 mLYS.C 71 20.22 62.54 101.19 19.97 63.16 100.44 18.55 60.87 102.02 18.38 60.47 100.87 19.31 62.17 102.27 18.31 63.27 102.51 2 0 53.85-999 ?-999 ?-999 ? O4 PEG F 1 mTRP^C 72 18.11 60.23 103.10 18.33 60.69 103.96 15.86 59.21 103.20 15.45 60.04 104.01 17.36 58.97 103.03 17.84 57.98 104.11 3 0 56.99-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 73 15.06 58.49 102.44 15.52 57.88 101.79 12.98 57.23 102.67 13.46 56.30 102.04 13.61 58.61 102.58 12.98 59.42 101.42 3 0 58.61-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^C 74 11.93 57.09 103.46 11.69 57.93 103.95 9.86 56.05 102.91 9.09 56.94 103.30 11.21 55.83 103.59 11.07 55.47 105.07 2 0 62.01-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 75 9.59 55.26 101.88 10.27 54.55 101.70 7.60 54.14 101.03 8.15 53.05 100.87 8.40 55.44 101.08 8.77 55.83 99.63 3 0 62.10-999 ?-999 ?-999 ? O4 PEG F 1 mARG^C 76 6.28 54.29 101.14 5.99 55.24 101.25 4.52 53.24 99.83 4.15 54.31 99.39 5.34 53.19 101.11 4.43 53.31 102.31 2 0 65.10-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^C 77 4.24 52.07 99.26 4.59 51.28 99.77 3.29 50.56 97.50 3.77 49.60 98.11 3.48 51.97 98.01-999.99-999.99-999.99 1 0 65.15-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 78 2.56 50.42 96.40 2.20 51.27 96.03 3.38 48.87 94.75 3.71 49.74 93.93 2.32 49.11 95.80 0.91 48.98 95.19 3 0 66.44-999 ?-999 ?-999 ? O4 PEG F 1 mILE^C 79 3.99 47.71 94.84 3.69 47.13 95.59 4.28 46.88 92.64 3.37 46.02 92.69 5.01 47.32 93.91 5.86 46.20 94.47 3 0 65.11-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 80 4.65 47.51 91.53 5.35 48.20 91.68 5.07 46.53 89.28 4.65 45.93 88.30 4.07 47.22 90.21 3.54 48.51 89.52 3 0 63.85-999 ?-999 ?-999 ? O2 PEG F 1 mASP^C 81 6.37 46.62 89.56 6.60 47.18 90.36 8.65 45.57 89.47 9.22 46.37 90.21 7.35 45.92 88.73 7.65 46.78 87.50 2 0 62.17-999 ?-999 ?-999 ? O2 PEG F 1 mILE^C 82 9.10 44.33 89.29 8.49 43.76 88.74 11.11 43.28 88.68 10.53 42.50 87.91 10.36 43.87 89.86 10.16 42.79 90.85 3 0 62.61-999 ?-999 ?-999 ? O2 PEG F 1 mARG^C 83 12.40 43.57 88.56 12.82 44.06 89.32 14.59 43.16 87.56 15.14 44.05 88.17 13.09 43.18 87.36 12.74 44.27 86.38 2 0 60.63-999 ?-999 ?-999 ? O2 PEG F 1 mARG^C 84 15.21 42.10 87.05 14.61 41.42 86.64 17.20 42.54 85.79 16.70 42.26 84.71 16.64 41.96 87.10 16.99 40.50 87.24 2 0 59.91-999 ?-999 ?-999 ? O2 PEG F 1 mLYS^C 85 18.26 43.33 85.90 18.62 43.41 86.83 20.33 43.74 84.62 21.01 43.63 85.64 18.82 44.03 84.74 18.56 45.54 84.93 2 0 56.31-999 ?-999 ?-999 ? O2 PEG F 1 mSER^C 86 20.82 43.58 83.38 20.11 43.59 82.67 22.99 44.69 83.40 22.58 45.77 83.02 22.25 43.41 83.10 22.52 43.13 81.63 2 0 54.83-999 ?-999 ?-999 ? O2 PEG F 1 mGLY.C 87 24.14 44.54 84.04 24.37 43.59 84.24 26.23 45.73 83.61 26.53 44.85 82.82 24.98 45.66 84.43-999.99-999.99-999.99 1 0 52.66-999 ?-999 ?-999 ? O2 PEG F 1 mILE.C 88 26.96 46.83 83.80 26.56 47.48 84.44 29.29 46.34 83.94 29.14 46.16 85.16 28.22 47.03 83.11 28.58 48.54 83.00 3 0 49.98-999 ?-999 ?-999 ? O2 PEG F 1 mALA.C 89 30.37 45.96 83.29 30.32 46.12 82.30 31.15 44.10 84.81 31.44 44.05 86.01 31.51 45.35 83.97 32.24 46.42 84.84 2 0 51.08-999 ?-999 ?-999 ? O2 PEG F 1 mGLY.C 90 30.51 43.12 84.15 30.27 43.37 83.21 29.11 41.76 85.85 28.75 40.71 86.36 30.19 41.80 84.76-999.99-999.99-999.99 1 0 54.77-999 ?-999 ?-999 ? O2 PEG F 1 mSER.C 91 28.55 42.92 86.18 28.86 43.70 85.64 26.13 42.84 86.80 25.84 42.70 85.60 27.58 43.01 87.26 27.73 44.38 87.93 2 0 55.52-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^C 92 25.22 42.83 87.77 25.61 42.82 88.70 23.10 43.58 88.64 23.68 43.79 89.69 23.80 42.82 87.51 23.28 41.39 87.32 3 0 56.85-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^C 93 21.90 44.06 88.40 21.54 43.86 87.49 19.67 44.68 89.27 19.19 44.10 88.31 21.18 44.81 89.43 21.61 46.29 89.38 3 0 57.08-999 ?-999 ?-999 ? O2 PEG F 1 mPHE^C 94 18.92 45.22 90.21 19.43 45.66 90.95 16.83 46.54 90.17 17.34 47.44 90.82 17.46 45.17 90.12 16.91 44.37 91.31 3 0 58.58-999 ?-999 ?-999 ? O2 PEG F 1 mILE^C 95 15.69 46.66 89.51 15.43 45.82 89.02 13.51 47.43 90.04 12.87 46.53 89.50 14.88 47.85 89.50 14.69 48.37 88.08 3 0 57.40-999 ?-999 ?-999 ? O2 PEG F 1 mVAL^C 96 13.09 48.08 91.12 13.75 48.74 91.48 11.05 49.14 91.54 11.60 50.21 91.85 11.81 47.85 91.73 11.97 47.53 93.21 3 0 60.03-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^C 97 9.83 49.05 90.99 9.56 48.11 90.79 7.70 50.15 91.59 7.05 49.12 91.71 8.96 50.21 90.71 8.56 50.26 89.25 2 0 59.38-999 ?-999 ?-999 ? O2 PEG F 1 mMETC 98 7.34 51.31 92.15 7.89 52.07 91.80 5.32 52.58 92.75 5.75 53.67 92.33 6.27 51.47 93.15 6.95 51.89 94.47 2 0 61.29-999 ?-999 ?-999 ? O4 PEG F 1 mARG^C 99 4.02 52.29 92.86 3.81 51.35 93.13 2.43 53.80 93.94 2.60 53.17 94.99 3.00 53.28 92.61 1.86 52.72 91.74 2 0 61.89-999 ?-999 ?-999 ? O4 PEG F 1 mASP.C 100 1.74 54.94 93.90 1.70 55.36 92.99 -0.03 54.58 95.48 -0.90 54.26 94.66 1.12 55.50 95.09 0.54 56.90 94.85 2 0 63.04-999 ?-999 ?-999 ? O4 PEG F 1 mGLU.C 101 -0.03 54.21 96.75 0.71 54.62 97.29 -2.48 53.69 96.99 -3.31 52.81 96.77 -1.02 53.31 97.31 -0.77 53.22 98.81 2 0 66.79-999 ?-999 ?-999 ? O4 PEG F 1 mGLN.C 102 -2.78 54.98 96.93 -2.00 55.58 97.10 -4.21 56.21 95.33 -5.12 57.01 95.12 -4.13 55.44 96.65 -4.63 56.26 97.85 2 0 67.37-999 ?-999 ?-999 ? O4 PEG F 1 mASN.C 103 -3.26 55.93 94.43 -2.61 55.24 94.74 -3.30 58.12 93.12 -3.82 58.71 92.17 -3.18 56.58 93.12 -4.22 55.97 92.17 2 0 64.39-999 ?-999 ?-999 ? O4 PEG F 1 mLYS.C 104 -2.80 58.77 94.18 -2.38 58.19 94.88 -1.98 60.85 93.17 -2.18 62.01 92.81 -2.90 60.23 94.25 -2.63 60.76 95.67 2 0 62.89-999 ?-999 ?-999 ? O4 PEG F 1 mTHR.C 105 -0.99 60.10 92.68 -0.87 59.23 93.17 -0.11 59.31 90.57 -0.27 58.16 90.95 -0.17 60.49 91.53 1.28 60.91 91.92 2 0 59.46-999 ?-999 ?-999 ? O4 PEG F 1 mASP.C 106 0.11 59.60 89.30 0.17 60.58 89.13 1.73 58.19 88.08 2.07 57.19 87.46 0.25 58.56 88.25 -0.32 59.07 86.92 2 0 58.61-999 ?-999 ?-999 ? O2 PEG F 1 mLYS.C 107 2.61 59.00 88.66 2.20 59.77 89.15 4.52 57.63 89.45 4.00 57.39 90.53 4.03 58.77 88.56 4.77 60.05 88.90 2 0 56.07-999 ?-999 ?-999 ? O4 PEG F 1 mARG.C 108 5.54 56.93 88.99 5.90 57.23 88.10 7.45 56.18 90.26 8.23 56.89 89.63 6.07 55.82 89.73 6.30 54.64 88.83 2 0 57.02-999 ?-999 ?-999 ? O4 PEG F 1 mLEU^C 109 7.75 55.62 91.42 7.01 55.09 91.83 9.80 54.47 91.80 9.23 53.38 91.96 9.05 55.78 92.04 8.89 56.02 93.51 3 0 56.37-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^C 110 11.06 54.57 91.38 11.38 55.51 91.22 13.02 53.37 92.19 13.48 54.40 92.69 11.88 53.41 91.18 12.45 53.38 89.77 2 0 55.87-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^C 111 13.47 52.17 92.49 12.96 51.43 92.04 15.55 51.00 92.69 15.12 50.03 92.06 14.58 51.92 93.40 14.11 51.16 94.63 3 0 56.64-999 ?-999 ?-999 ? O4 PEG F 1 mASN^C 112 16.84 51.23 92.85 17.05 52.01 93.45 18.62 49.63 93.25 19.38 50.20 94.01 17.85 50.43 92.21 18.79 51.36 91.46 2 0 55.55-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^C 113 18.41 48.32 93.30 17.76 47.98 92.63 20.30 46.82 93.62 20.17 46.26 92.54 19.11 47.48 94.27 18.24 46.35 94.76 3 0 58.30-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^C 114 21.44 46.84 94.28 21.41 47.36 95.13 22.47 44.65 93.95 21.53 44.19 94.61 22.62 46.15 93.76-999.99-999.99-999.99 1 0 57.74-999 ?-999 ?-999 ? O4 PEG F 1 mSER.C 115 23.39 43.90 93.36 24.11 44.42 92.91 23.41 41.85 94.77 22.87 40.77 95.04 23.34 42.44 93.37 24.50 41.89 92.53 2 0 60.23-999 ?-999 ?-999 ? O4 PEG F 1 mHIS.C 116 24.09 42.56 95.65 24.49 43.40 95.29 22.94 42.16 97.79 22.81 41.50 98.82 24.25 42.14 97.01 25.29 43.03 97.72 3 0 62.13-999 ?-999 ?-999 ? O4 PEG F 1 mASN~C 117 21.94 42.86 97.29 22.09 43.31 96.42 19.62 42.19 97.34 18.49 42.65 97.28 20.71 42.93 98.06 20.34 44.38 98.34 2 0 63.21-999 ?-999 ?-999 ? O4 PEG F 1 mSER~C 118 19.94 41.02 96.81 20.88 40.72 96.97 17.93 39.60 96.93 16.83 39.35 96.46 18.96 40.27 96.06 19.63 39.27 95.13 2 0 64.80-999 ?-999 ?-999 ? O4 PEG F 1 mALA~C 119 18.28 39.28 98.18 19.22 39.52 98.42 16.12 39.52 99.30 14.99 39.06 99.24 17.33 38.63 99.10 17.99 38.35 100.41 2 0 68.24-999 ?-999 ?-999 ? O4 PEG F 1 mASP~C 120 16.36 40.81 99.54 17.33 41.05 99.61 14.40 41.81 98.44 13.17 41.85 98.54 15.27 41.77 99.70 15.80 43.20 99.89 2 0 67.00-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~C 121 15.02 41.85 97.26 16.02 41.82 97.29 13.41 40.67 95.84 12.26 40.77 95.44 14.25 41.92 96.04 15.12 42.16 94.79 3 0 65.37-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~C 122 13.97 39.50 96.16 14.90 39.57 96.52 12.08 38.03 96.96 11.27 37.13 96.76 13.25 38.24 95.98 14.22 37.05 96.00 2 0 68.56-999 ?-999 ?-999 ? O2 PEG F 1 mALA~C 123 11.97 38.87 97.99 12.68 39.57 98.02 9.73 39.68 98.62 8.66 39.57 99.22 10.89 38.74 98.97 11.40 39.02 100.41 2 0 70.69-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~C 124 9.94 40.60 97.67 10.87 40.61 97.32 7.80 40.75 96.38 7.95 39.57 96.04 8.86 41.49 97.21 9.44 42.64 96.38 3 0 68.74-999 ?-999 ?-999 ? O4 PEG F 1 mSER.C 125 6.72 41.44 96.03 6.68 42.39 96.34 4.82 41.84 94.51 4.26 42.73 95.13 5.68 40.80 95.25 4.85 39.96 96.23 2 0 69.81-999 ?-999 ?-999 ? O2 PEG F 1 mASN.C 126 4.72 41.76 93.17 5.24 41.01 92.76 2.48 42.64 92.89 1.96 41.54 93.13 3.91 42.72 92.40 3.95 42.46 90.89 2 0 68.01-999 ?-999 ?-999 ? O2 PEG F 1 mGLY.C 127 1.87 43.81 93.07 2.42 44.60 92.81 0.47 44.06 95.14 -0.57 44.38 95.71 0.50 43.89 93.61-999.99-999.99-999.99 1 0 69.74-999 ?-999 ?-999 ? O2 PEG F 1 mSER.C 128 1.59 43.85 95.82 2.38 43.60 95.26 2.32 45.26 97.73 3.20 45.80 97.10 1.64 43.99 97.26 2.37 42.78 97.87 2 0 70.86-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 129 1.88 45.72 98.89 1.14 45.18 99.28 3.79 46.60 100.15 3.99 45.53 100.73 2.41 46.90 99.52 1.45 47.41 100.64 3 0 69.68-999 ?-999 ?-999 ? O4 PEG F 1 mALA^C 130 4.72 47.53 100.00 4.44 48.30 99.43 6.45 48.82 101.06 5.95 49.82 100.53 6.03 47.42 100.64 7.09 46.80 99.68 2 0 67.97-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^C 131 7.37 48.87 102.02 7.64 47.97 102.37 9.41 49.91 102.28 10.02 48.93 102.72 7.93 50.08 102.52 7.59 50.26 104.02 2 0 66.40-999 ?-999 ?-999 ? O4 PEG F 1 mILE^C 132 9.99 50.83 101.52 9.37 51.55 101.22 12.08 52.09 101.46 11.54 53.16 101.13 11.42 50.75 101.16 11.61 50.43 99.68 3 0 63.41-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 133 13.23 52.02 102.13 13.45 51.09 102.43 15.14 53.24 101.34 15.72 52.24 101.00 14.07 53.17 102.42 14.83 53.04 103.76 3 0 61.44-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^C 134 15.40 54.42 100.81 14.86 55.16 101.19 17.07 55.93 99.87 16.58 56.77 100.57 16.42 54.58 99.75-999.99-999.99-999.99 1 0 57.80-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^C 135 18.18 56.13 99.20 18.47 55.34 98.66 18.77 58.12 97.93 18.80 57.49 96.86 18.90 57.42 99.26 20.38 57.19 99.57 2 0 54.64-999 ?-999 ?-999 ? O4 PEG F 1 mVAL.C 136 18.65 59.44 97.99 18.65 59.79 98.92 19.88 60.71 96.32 20.67 61.19 97.11 18.52 60.27 96.80 17.72 61.56 97.12 3 0 51.45-999 ?-999 ?-999 ? O4 PEG F 1 mHIS.C 137 20.19 60.47 95.07 19.51 59.92 94.59 20.98 61.98 93.42 19.78 62.18 93.22 21.42 60.96 94.45 22.17 59.84 93.76 3 0 48.20-999 ?-999 ?-999 ? O4 PEG F 1 mGLN.C 138 21.93 62.58 92.74 22.86 62.27 92.93 20.69 63.10 90.68 20.97 62.09 90.04 21.61 63.62 91.79 22.89 64.18 91.19 2 0 44.74-999 ?-999 ?-999 ? O4 PEG F 1 mVAL.C 139 19.57 63.80 90.46 19.43 64.58 91.08 19.03 64.22 88.15 19.03 65.45 88.17 18.65 63.44 89.42 17.21 63.78 89.82 3 0 44.84-999 ?-999 ?-999 ? O4 PEG F 1 mGLN.C 140 19.44 63.49 87.10 19.49 62.51 87.29 19.17 63.36 84.65 18.95 62.17 84.76 19.78 64.12 85.80 21.29 64.20 85.54 2 0 41.73-999 ?-999 ?-999 ? O4 PEG F 1 mASP.C 141 18.90 64.06 83.56 19.13 65.03 83.64 17.04 62.76 82.72 16.73 61.72 82.18 18.32 63.47 82.36 19.32 62.47 81.76 2 0 41.21-999 ?-999 ?-999 ? O4 PEG F 1 mSER.C 142 16.30 63.37 83.63 16.64 64.27 83.91 14.53 63.73 85.19 15.19 64.64 85.62 15.11 62.78 84.19 15.47 61.51 84.95 2 0 44.44-999 ?-999 ?-999 ? O4 PEG F 1 mTHR.C 143 13.30 63.51 85.60 12.86 62.71 85.19 12.22 63.63 87.81 11.72 64.24 88.74 12.67 64.38 86.57 11.45 65.06 85.98 2 0 46.19-999 ?-999 ?-999 ? O4 PEG F 1 mILE.C 144 12.41 62.33 87.85 12.87 61.96 87.05 13.17 60.80 89.49 13.91 60.24 88.71 11.95 61.55 88.99 10.82 60.58 88.56 3 0 49.54-999 ?-999 ?-999 ? O4 PEG F 1 mPRO.C 145 13.41 60.81 90.79 12.76 61.29 91.39 14.48 58.61 91.23 13.38 58.09 91.35 14.62 60.11 91.21 14.82 60.59 92.65 3 0 50.08-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^C 146 15.60 57.92 91.04 16.37 58.50 90.78 16.48 56.37 92.49 17.64 56.81 92.53 15.67 56.47 91.21 16.43 55.78 90.08 2 0 51.85-999 ?-999 ?-999 ? O4 PEG F 1 mLEU^C 147 15.83 55.88 93.55 14.90 55.57 93.38 17.59 54.77 94.82 17.48 53.76 94.14 16.48 55.81 94.84 15.47 55.53 95.94 3 0 53.96-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^C 148 18.67 55.04 95.55 18.61 55.90 96.07 20.13 53.49 96.93 19.67 53.95 97.96 19.83 54.14 95.57 21.08 54.91 95.11 2 0 54.01-999 ?-999 ?-999 ? O4 PEG F 1 mASN^C 149 20.96 52.45 96.90 21.28 52.23 95.97 20.19 51.46 99.01 20.25 51.73 100.17 21.37 51.68 98.08 22.57 52.31 98.82 2 0 56.64-999 ?-999 ?-999 ? O4 PEG F 1 mPRO^C 150 19.09 50.89 98.48 19.16 50.62 97.52 17.83 49.47 100.15 18.64 48.57 100.02 17.90 50.70 99.30 16.78 50.65 98.27 3 0 59.41-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^C 151 16.82 49.42 101.00 16.21 50.22 100.94 15.11 48.20 102.15 14.45 49.21 102.42 16.63 48.32 101.92 17.41 48.62 103.22 2 0 63.15-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 152 14.57 46.99 102.02 15.21 46.27 101.75 12.87 46.78 103.76 13.49 46.03 104.50 13.14 46.77 102.25 12.64 45.42 101.64 3 0 65.87-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^C 153 11.97 47.64 104.22 11.56 48.23 103.53 10.56 46.63 105.81 9.48 46.75 105.25 11.63 47.68 105.64 11.11 49.01 106.08 3 0 68.03-999 ?-999 ?-999 ? O4 PEG F 1 mLYS.C 154 10.89 45.60 106.59 11.78 45.69 107.03 9.95 44.08 108.23 9.75 42.90 108.54 10.01 44.45 106.76 10.53 43.28 105.91 2 0 71.52-999 ?-999 ?-999 ? O4 PEG F 1 mPRO.D 37 18.01 15.89 79.46 18.77 16.51 79.25 16.60 13.95 78.64 16.33 14.34 77.49 16.89 14.99 79.76 15.72 15.98 79.89 3 0 69.02-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~D 38 16.65 12.65 78.95 16.91 12.48 79.90 14.85 11.53 77.62 14.07 12.30 78.18 16.34 11.58 77.97-999.99-999.99-999.99 1 0 69.74-999 ?-999 ?-999 ? C2 PEG J 2 mASP~D 39 14.43 10.65 76.71 15.16 10.07 76.34 12.07 10.09 77.46 10.93 10.56 77.55 13.00 10.57 76.33 12.80 9.73 75.05 2 0 70.46-999 ?-999 ?-999 ? C2 PEG J 2 mASP~D 40 12.55 9.17 78.30 13.48 8.86 78.07 11.56 9.74 80.51 10.43 9.94 80.96 11.79 8.67 79.45 12.46 7.45 80.11 2 0 74.26-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 41 12.63 10.40 80.94 13.49 10.11 80.52 11.61 12.64 81.45 10.91 13.24 82.26 12.52 11.47 81.94 13.91 11.97 82.36 2 0 74.22-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 42 11.61 12.93 80.15 12.25 12.37 79.62 9.28 13.57 79.59 8.42 14.39 79.89 10.76 13.97 79.56 11.17 14.30 78.06 3 0 71.90-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 43 9.02 12.31 79.26 9.83 11.78 79.00 7.02 11.86 80.66 5.83 12.08 80.77 7.66 11.76 79.27 7.66 10.31 78.78 2 0 74.26-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 44 7.82 11.75 81.72 8.79 11.64 81.50 7.19 13.16 83.73 6.62 13.30 84.79 7.29 11.79 83.08 8.01 10.77 83.98 2 0 77.15-999 ?-999 ?-999 ? C2 PEG J 2 mMETD 45 7.70 14.21 83.10 8.16 14.00 82.23 6.16 16.11 83.45 5.47 15.69 82.53 7.56 15.55 83.70 8.71 16.52 83.38 2 0 75.66-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~D 46 5.72 17.00 84.33 6.36 17.21 85.07 4.39 18.59 83.06 5.44 19.09 82.64 4.39 17.59 84.22 3.98 18.27 85.53 2 0 76.64-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^D 47 3.20 18.84 82.55 2.46 18.35 83.00 2.37 20.99 82.00 1.26 20.95 82.53 2.99 19.75 81.44 2.04 19.13 80.45 2 0 74.38-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^D 48 3.10 22.10 81.95 4.02 22.02 81.57 1.76 23.91 81.32 2.02 23.60 80.17 2.54 23.32 82.45 3.61 24.33 82.78 3 0 73.95-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 49 0.82 24.78 81.64 0.55 24.79 82.61 1.15 26.86 80.66 2.02 26.98 81.56 0.24 25.63 80.62 -1.17 26.03 80.97 2 0 73.05-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 50 1.00 27.76 79.69 0.31 27.54 79.01 1.41 29.84 80.88 2.27 30.43 81.51 1.79 28.97 79.68 1.65 29.73 78.32 3 0 70.34-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 51 0.13 29.89 81.23 -0.46 29.31 80.66 0.25 30.27 83.66 0.65 31.10 84.48 -0.33 30.73 82.35 -1.85 30.73 82.43 2 0 73.08-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~D 52 0.30 28.95 83.83 -0.05 28.42 83.06 2.28 28.59 85.18 2.75 29.01 86.20 0.81 28.35 85.05 0.59 26.83 85.09 2 0 75.19-999 ?-999 ?-999 ? C2 PEG J 2 mPHE~D 53 3.03 28.33 84.13 2.55 27.99 83.33 4.80 30.02 84.49 5.66 30.29 85.29 4.46 28.56 84.20 5.15 28.06 82.93 3 0 72.49-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~D 54 4.14 30.97 83.83 3.43 30.63 83.22 3.87 33.03 85.30 4.19 34.18 85.62 4.47 32.38 84.04 4.07 33.17 82.80 3 0 71.26-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~D 55 2.99 32.31 85.98 2.79 31.41 85.59 3.43 33.32 88.20 3.40 34.48 88.58 2.37 32.83 87.20 1.43 31.77 87.80 2 0 73.79-999 ?-999 ?-999 ? O2 PEG F 1 mPRO~D 56 4.40 32.49 88.57 4.39 31.56 88.19 6.26 34.19 88.94 6.85 34.94 89.70 5.39 33.04 89.51 6.24 31.82 89.92 3 0 73.00-999 ?-999 ?-999 ? O2 PEG F 1 mPHE~D 57 6.36 34.34 87.63 5.87 33.66 87.08 6.36 36.76 87.17 6.93 37.84 87.23 7.15 35.45 87.10 7.61 35.17 85.67 3 0 69.30-999 ?-999 ?-999 ? O2 PEG F 1 mTHR~D 58 5.04 36.65 87.12 4.70 35.71 87.01 4.29 38.41 88.60 4.26 39.63 88.77 4.17 37.80 87.20 2.70 37.38 86.94 2 0 69.09-999 ?-999 ?-999 ? O2 PEG F 1 mLEU~D 59 4.41 37.53 89.59 4.39 36.58 89.29 5.94 38.50 91.25 6.09 39.60 91.82 4.55 37.93 90.98 4.26 36.75 91.91 3 0 70.39-999 ?-999 ?-999 ? O2 PEG F 1 mASN~D 60 6.95 37.74 90.87 6.69 36.87 90.44 9.30 37.41 90.13 9.70 36.27 90.38 8.32 38.14 91.07 8.72 37.95 92.53 2 0 68.38-999 ?-999 ?-999 ? O2 PEG F 1 mPRO~D 61 9.69 38.09 89.04 9.31 39.00 88.94 12.02 37.18 88.67 12.64 36.23 88.25 10.63 37.47 88.09 10.74 38.47 86.95 3 0 66.48-999 ?-999 ?-999 ? O2 PEG F 1 mALA~D 62 12.51 37.99 89.61 11.92 38.77 89.82 13.71 36.41 91.07 14.50 35.51 90.89 13.81 37.71 90.25 14.25 38.86 91.12 2 0 65.87-999 ?-999 ?-999 ? O2 PEG F 1 mLYS~D 63 12.71 36.31 91.94 12.12 37.12 91.99 12.24 33.88 91.82 12.90 32.83 91.96 12.51 35.10 92.73 11.36 35.34 93.74 2 0 69.61-999 ?-999 ?-999 ? O2 PEG F 1 mALA~D 64 11.32 34.01 90.87 10.91 34.92 90.80 12.21 32.39 89.20 12.47 31.17 89.13 10.99 32.88 90.01 9.81 33.22 89.09 2 0 70.76-999 ?-999 ?-999 ? O2 PEG F 1 mSER~D 65 12.96 33.33 88.63 12.64 34.26 88.79 15.15 32.22 88.69 15.72 31.24 88.24 14.15 33.01 87.85 14.83 34.29 87.34 2 0 68.44-999 ?-999 ?-999 ? O2 PEG F 1 mSER~D 66 15.36 32.66 89.91 14.86 33.49 90.14 15.76 30.58 91.27 16.55 29.66 91.41 16.27 31.97 90.82 16.56 32.85 92.01 2 0 69.78-999 ?-999 ?-999 ? O2 PEG F 1 mASP~D 67 14.45 30.44 91.50 13.92 31.28 91.40 13.95 28.15 90.71 14.05 26.97 90.95 13.89 29.14 91.88 12.42 29.25 92.36 2 0 73.44-999 ?-999 ?-999 ? O2 PEG F 1 mTYR~D 68 13.89 28.62 89.47 13.82 29.62 89.43 15.28 27.66 87.60 15.43 26.91 86.62 13.92 27.75 88.29 12.88 28.23 87.23 3 0 71.74-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~D 69 16.28 28.39 88.08 16.06 28.89 88.92 18.13 27.04 87.18 18.21 26.25 88.10 17.58 28.44 87.41 18.60 29.31 88.17 3 0 69.36-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~D 70 18.45 26.75 85.92 18.30 27.50 85.29 17.95 24.35 85.41 18.30 23.23 85.06 18.98 25.47 85.51-999.99-999.99-999.99 1 0 68.26-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~D 71 16.68 24.61 85.72 16.49 25.56 85.98 15.06 23.47 84.30 15.12 24.42 83.53 15.70 23.54 85.68 14.63 23.69 86.76 2 0 70.33-999 ?-999 ?-999 ? C2 PEG J 2 mTRP^D 72 14.48 22.31 84.01 14.58 21.62 84.72 12.28 22.09 83.05 11.82 21.69 84.13 13.77 22.07 82.77 14.14 20.69 82.22 3 0 69.30-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 73 11.51 22.56 82.08 12.01 22.90 81.28 9.46 22.20 80.85 10.10 22.41 79.81 10.05 22.57 82.19 9.50 23.94 82.64 3 0 70.27-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^D 74 8.26 21.64 80.88 7.89 21.55 81.81 6.28 22.00 79.61 5.41 21.84 80.45 7.55 21.18 79.69 7.25 19.68 79.83 2 0 70.11-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 75 6.17 22.87 78.61 6.94 22.87 77.97 4.30 23.50 77.16 4.93 23.46 76.08 5.03 23.75 78.49 5.48 25.22 78.50 3 0 69.47-999 ?-999 ?-999 ? C2 PEG J 2 mARG^D 76 2.98 23.36 77.23 2.62 23.43 78.16 1.32 24.37 75.80 0.69 24.90 76.72 2.16 23.13 76.06 1.29 21.90 76.28 2 0 69.56-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^D 77 1.34 24.85 74.56 1.89 24.32 73.92 0.37 26.16 72.69 0.72 25.26 71.95 0.60 26.06 74.19-999.99-999.99-999.99 1 0 68.06-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 78 -0.25 27.25 72.26 -0.56 27.87 72.98 0.72 28.33 70.29 1.00 29.45 70.79 -0.46 27.51 70.84 -1.75 28.29 70.62 3 0 65.92-999 ?-999 ?-999 ? C2 PEG J 2 mILE^D 79 1.42 27.76 69.31 1.15 26.84 69.04 1.90 29.67 67.94 0.88 29.50 67.25 2.51 28.48 68.68 3.32 27.60 67.71 3 0 62.19-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 80 2.46 30.86 68.16 3.23 30.84 68.79 2.98 32.79 66.62 2.63 33.68 65.85 1.94 32.09 67.51 1.36 33.11 68.51 3 0 60.56-999 ?-999 ?-999 ? C2 PEG J 2 mASP^D 81 4.25 32.42 66.75 4.43 31.77 67.50 6.48 31.98 65.85 6.86 31.41 66.89 5.28 32.92 65.87 5.70 34.31 66.29 2 0 56.98-999 ?-999 ?-999 ? C2 PEG J 2 mILE^D 82 7.04 31.82 64.65 6.54 32.32 63.94 9.10 31.88 63.45 8.61 32.35 62.43 8.24 31.01 64.37 7.89 29.72 63.62 3 0 54.70-999 ?-999 ?-999 ? C2 PEG J 2 mARG^D 83 10.37 32.07 63.79 10.63 31.55 64.61 12.67 32.45 63.06 13.17 32.06 64.13 11.28 32.96 63.06 11.48 34.23 63.85 2 0 51.20-999 ?-999 ?-999 ? C2 PEG J 2 mARG^D 84 13.33 32.56 61.92 12.82 32.93 61.15 15.46 33.50 61.98 15.07 34.49 61.35 14.70 32.17 61.85 14.97 31.44 60.56 2 0 48.60-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^D 85 16.51 33.51 62.80 16.72 32.63 63.21 18.78 34.55 62.85 19.32 33.45 62.96 17.29 34.72 63.05 16.97 35.23 64.45 2 0 47.13-999 ?-999 ?-999 ? C2 PEG J 2 mSER^D 86 19.42 35.63 62.44 18.83 36.43 62.29 21.56 35.67 63.55 21.23 36.46 64.43 20.85 35.66 62.24 21.28 36.92 61.50 2 0 44.33-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~D 87 22.59 34.83 63.66 22.75 34.27 62.85 24.75 35.40 64.72 25.11 35.87 63.65 23.39 34.76 64.88-999.99-999.99-999.99 1 0 45.65-999 ?-999 ?-999 ? C2 PEG J 2 mILE~D 88 25.48 35.44 65.83 25.04 35.07 66.64 27.73 34.83 65.46 27.39 33.65 65.73 26.83 35.99 65.82 27.27 36.55 67.23 3 0 44.70-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 89 28.87 35.14 64.83 28.96 36.11 64.61 29.34 32.92 63.64 29.31 31.77 64.12 29.87 34.11 64.50 30.51 33.59 65.82 2 0 43.25-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~D 90 28.95 33.22 62.40 29.01 34.20 62.19 27.14 31.50 61.71 26.56 30.84 60.84 28.47 32.22 61.42-999.99-999.99-999.99 1 0 41.86-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 91 26.61 31.66 62.92 27.08 32.33 63.50 24.06 31.50 62.94 23.94 32.60 62.39 25.42 30.90 63.31 25.43 30.65 64.83 2 0 45.09-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^D 92 23.04 30.71 63.25 23.29 29.80 63.57 20.90 30.38 64.17 21.38 29.37 64.70 21.66 31.15 63.13 21.10 30.99 61.70 3 0 46.40-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^D 93 19.72 30.87 64.49 19.45 31.69 63.99 17.45 30.51 65.22 17.11 31.23 64.28 18.91 30.23 65.51 19.32 30.76 66.89 3 0 49.91-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^D 94 16.56 29.92 66.01 16.93 29.32 66.72 14.54 30.64 67.09 14.96 30.22 68.14 15.16 30.18 65.81 14.45 28.90 65.38 3 0 52.04-999 ?-999 ?-999 ? C2 PEG J 2 mILE^D 95 13.54 31.49 66.99 13.38 31.84 66.06 11.31 31.46 67.85 10.72 31.82 66.82 12.74 31.88 68.11 12.75 33.37 68.36 3 0 54.45-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 96 10.77 30.68 68.78 11.40 30.48 69.53 8.67 30.83 69.88 9.18 30.84 70.99 9.39 30.18 68.72 9.39 28.66 68.79 3 0 57.39-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^D 97 7.50 31.40 69.60 7.22 31.29 68.65 5.40 31.36 70.80 4.78 30.88 69.84 6.70 32.12 70.59 6.46 33.55 70.12 2 0 59.69-999 ?-999 ?-999 ? C2 PEG J 2 mMETD 98 4.95 31.28 72.03 5.47 31.82 72.69 2.83 31.22 73.29 3.29 31.93 74.17 3.81 30.46 72.38 4.38 29.22 73.10 2 0 63.29-999 ?-999 ?-999 ? C2 PEG J 2 mARG^D 99 1.52 31.11 73.08 1.28 30.58 72.26 -0.26 30.67 74.78 -0.30 29.50 74.41 0.52 31.73 73.98 -0.48 32.60 73.24 2 0 66.09-999 ?-999 ?-999 ? C2 PEG J 2 mASP~D 100 -0.89 31.10 75.86 -0.80 32.07 76.06 -2.78 29.62 75.82 -3.51 30.38 75.17 -1.66 30.16 76.67 -2.28 30.83 77.89 2 0 69.86-999 ?-999 ?-999 ? C2 PEG J 2 mGLU~D 101 -2.93 28.30 75.84 -2.29 27.83 76.44 -5.36 28.19 75.28 -6.22 28.03 74.43 -3.96 27.63 75.06 -3.96 26.12 75.36 2 0 71.02-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~D 102 -5.61 28.85 76.41 -4.82 28.97 77.01 -6.94 30.79 77.14 -7.86 31.25 77.79 -6.95 29.34 76.69 -7.60 28.43 77.75 2 0 73.57-999 ?-999 ?-999 ? C2 PEG J 2 mASN~D 103 -5.88 31.50 76.80 -5.17 30.98 76.31 -5.94 33.24 78.59 -6.37 34.34 78.94 -5.78 32.92 77.12 -6.75 33.72 76.24 2 0 72.11-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~D 104 -5.56 32.31 79.46 -5.23 31.45 79.06 -4.61 33.70 81.18 -4.74 34.44 82.14 -5.64 32.59 80.88 -5.45 31.32 81.74 2 0 74.77-999 ?-999 ?-999 ? C2 PEG J 2 mTHR~D 105 -3.59 33.82 80.34 -3.52 33.10 79.65 -2.50 35.46 79.03 -2.69 34.71 78.08 -2.65 34.94 80.45 -1.28 34.53 81.06 2 0 72.01-999 ?-999 ?-999 ? C2 PEG J 2 mASP~D 106 -2.18 36.74 78.87 -2.13 37.26 79.72 -0.41 37.36 77.23 -0.02 37.68 76.10 -1.92 37.27 77.53 -2.62 38.63 77.34 2 0 68.89-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~D 107 0.42 37.06 78.21 -0.03 36.81 79.07 2.30 35.86 77.25 1.70 34.81 77.38 1.86 37.09 78.04 2.54 37.12 79.40 2 0 66.93-999 ?-999 ?-999 ? C2 PEG J 2 mARG~D 108 3.35 36.01 76.44 3.76 36.92 76.46 5.16 34.36 76.14 5.97 35.07 76.68 3.85 34.92 75.61 4.19 35.41 74.20 2 0 64.37-999 ?-999 ?-999 ? C2 PEG J 2 mLEU^D 109 5.39 33.08 75.93 4.63 32.61 75.48 7.47 32.23 75.04 6.91 31.81 74.03 6.64 32.44 76.31 6.32 31.09 76.93 3 0 63.95-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^D 110 8.76 32.51 75.07 9.12 32.89 75.92 10.57 31.15 74.17 10.98 30.90 75.30 9.56 32.26 73.90 10.29 33.50 73.42 2 0 60.52-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^D 111 10.95 30.47 73.08 10.48 30.76 72.25 12.98 29.76 72.07 12.65 30.20 70.99 11.93 29.40 73.09 11.30 28.09 72.65 3 0 59.59-999 ?-999 ?-999 ? C2 PEG J 2 mASN^D 112 14.23 29.55 72.41 14.34 29.21 73.35 15.95 28.44 71.12 16.68 27.81 71.91 15.35 29.76 71.54 16.41 30.55 72.30 2 0 56.53-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^D 113 15.67 28.04 69.89 15.04 28.64 69.40 17.48 27.08 68.51 17.49 27.92 67.61 16.24 26.82 69.32 15.27 26.17 68.33 3 0 55.57-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^D 114 18.53 26.33 68.79 18.40 25.70 69.55 19.65 25.77 66.65 18.69 25.03 66.38 19.77 26.44 68.01-999.99-999.99-999.99 1 0 53.13-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 115 20.63 26.00 65.80 21.38 26.54 66.18 20.50 24.00 64.34 19.86 23.48 63.45 20.58 25.50 64.42 21.78 25.99 63.62 2 0 50.51-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~D 116 21.15 23.30 65.25 21.65 23.85 65.91 19.67 21.31 65.44 19.37 20.20 65.05 21.10 21.83 65.25 22.00 21.25 66.36 3 0 52.84-999 ?-999 ?-999 ? C2 PEG J 2 mASN~D 117 18.79 22.11 66.01 19.10 23.02 66.27 16.48 22.22 65.26 15.36 22.55 65.63 17.47 21.60 66.22 17.04 21.79 67.69 2 0 55.23-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 118 16.84 22.30 63.99 17.74 21.92 63.77 14.82 21.97 62.56 13.81 22.44 62.08 15.94 22.91 63.04 16.69 23.53 61.87 2 0 53.05-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 119 15.00 20.66 62.67 15.90 20.39 63.01 12.70 19.87 63.23 11.56 19.76 62.80 13.93 19.71 62.29 14.44 18.26 62.30 2 0 55.32-999 ?-999 ?-999 ? C2 PEG J 2 mASP~D 120 12.93 20.13 64.51 13.89 20.12 64.78 11.08 21.68 65.04 9.86 21.74 65.09 11.80 20.39 65.41 12.22 20.51 66.87 2 0 58.10-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 121 11.82 22.71 64.69 12.80 22.54 64.65 10.41 23.87 63.12 9.27 24.33 63.03 11.20 23.98 64.39 12.25 25.07 64.30 3 0 55.94-999 ?-999 ?-999 ? C2 PEG J 2 mGLU~D 122 11.00 23.19 62.15 11.89 22.81 62.40 9.11 22.19 60.83 8.39 22.22 59.87 10.37 23.03 60.83 11.39 22.56 59.77 2 0 54.57-999 ?-999 ?-999 ? C2 PEG J 2 mALA~D 123 8.84 21.50 61.92 9.51 21.59 62.65 6.56 21.33 62.88 5.53 20.72 63.13 7.64 20.68 62.00 7.99 19.26 62.55 2 0 58.14-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~D 124 6.82 22.55 63.35 7.73 22.88 63.13 4.99 24.10 63.17 5.29 24.18 62.00 5.84 23.30 64.14 6.50 24.28 65.12 3 0 59.27-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 125 3.93 24.71 63.69 3.84 24.62 64.68 2.16 26.45 63.62 1.53 26.14 64.62 2.99 25.44 62.84 2.08 24.43 62.15 2 0 59.34-999 ?-999 ?-999 ? C2 PEG J 2 mASN~D 126 2.21 27.69 63.15 2.79 27.80 62.34 0.00 28.47 63.85 -0.62 28.03 62.87 1.47 28.80 63.77 1.69 30.11 63.01 2 0 59.59-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~D 127 -0.56 28.67 65.03 0.05 29.01 65.73 -2.26 26.97 65.75 -3.40 26.65 66.02 -1.99 28.38 65.22-999.99-999.99-999.99 1 0 63.05-999 ?-999 ?-999 ? C2 PEG J 2 mSER~D 128 -1.21 26.14 65.84 -0.35 26.52 65.50 -0.70 24.70 67.77 0.28 25.42 68.12 -1.34 24.80 66.39 -0.65 23.76 65.51 2 0 64.68-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 129 -1.22 23.75 68.53 -1.97 23.24 68.10 0.53 22.67 69.79 0.66 21.81 68.94 -0.75 23.49 69.87 -1.79 22.63 70.62 3 0 67.02-999 ?-999 ?-999 ? C2 PEG J 2 mALA^D 130 1.49 22.95 70.65 1.32 23.73 71.24 3.16 22.05 72.12 2.84 22.94 72.91 2.69 22.12 70.69 3.79 22.72 69.79 2 0 65.98-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^D 131 3.88 20.98 72.45 3.96 20.31 71.71 6.00 20.88 73.57 6.57 20.15 72.75 4.50 20.79 73.77 4.15 19.45 74.37 2 0 67.60-999 ?-999 ?-999 ? C2 PEG J 2 mILE^D 132 6.65 21.78 74.31 6.07 22.29 74.95 8.75 21.98 75.54 8.29 22.68 76.44 8.08 21.99 74.18 8.37 23.33 73.50 3 0 65.41-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 133 9.78 21.13 75.68 9.93 20.55 74.88 11.71 22.05 76.68 12.24 22.17 75.57 10.60 21.04 76.87 11.23 19.67 77.03 3 0 66.55-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^D 134 12.06 22.77 77.74 11.53 22.58 78.56 13.77 24.05 79.04 13.19 23.71 80.07 13.15 23.76 77.68-999.99-999.99-999.99 1 0 64.80-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^D 135 14.92 24.72 79.04 15.24 25.01 78.13 15.66 26.48 80.64 15.81 27.34 79.78 15.64 24.99 80.29 17.05 24.42 80.21 2 0 65.32-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 136 15.49 26.80 81.92 15.38 26.02 82.54 16.90 28.63 82.58 17.60 28.03 83.37 15.48 28.19 82.34 14.70 28.41 83.66 3 0 65.90-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~D 137 17.33 29.66 81.88 16.70 29.98 81.18 18.32 31.53 82.90 17.15 31.82 83.14 18.64 30.25 82.14 19.40 30.47 80.84 3 0 63.80-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~D 138 19.32 32.30 83.28 20.22 31.98 82.98 18.24 34.55 83.29 18.61 34.93 82.21 19.06 33.50 84.07 20.38 34.12 84.51 2 0 64.36-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 139 17.15 35.03 83.87 16.99 34.66 84.79 16.69 37.41 83.59 16.62 37.82 84.75 16.28 35.99 83.24 14.86 35.81 83.74 3 0 63.32-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~D 140 17.14 38.15 82.59 17.15 37.68 81.71 17.01 40.39 81.65 16.73 39.92 80.58 17.57 39.53 82.75 19.08 39.64 82.71 2 0 59.66-999 ?-999 ?-999 ? O2 PEG F 1 mASP~D 141 16.86 41.67 81.94 17.11 41.90 82.88 15.01 42.21 80.37 14.70 42.49 79.23 16.36 42.64 80.95 17.42 42.85 79.86 2 0 56.92-999 ?-999 ?-999 ? O2 PEG F 1 mSER~D 142 14.21 41.54 81.19 14.60 41.43 82.11 12.32 40.44 82.07 13.04 40.15 82.99 12.92 41.02 80.82 13.06 39.88 79.83 2 0 59.75-999 ?-999 ?-999 ? O2 PEG F 1 mTHR~D 143 11.03 40.22 82.08 10.55 40.51 81.25 9.87 38.22 82.81 9.20 37.56 83.60 10.37 39.60 83.20 9.16 40.42 83.64 2 0 62.98-999 ?-999 ?-999 ? O2 PEG F 1 mILE~D 144 10.16 37.79 81.58 10.70 38.43 81.04 10.90 35.75 80.50 11.66 36.28 79.70 9.71 36.50 81.10 8.63 36.63 80.02 3 0 65.03-999 ?-999 ?-999 ? O2 PEG F 1 mPRO~D 145 11.04 34.49 80.88 10.34 34.12 81.49 12.03 33.29 78.94 10.91 33.11 78.44 12.16 33.75 80.38 12.20 32.52 81.31 3 0 64.01-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^D 146 13.17 33.15 78.29 13.99 33.44 78.78 13.87 31.27 77.27 15.04 31.20 77.68 13.22 32.60 76.97 14.06 33.45 76.02 2 0 61.00-999 ?-999 ?-999 ? C2 PEG J 2 mLEU^D 147 13.10 30.20 77.08 12.19 30.39 76.70 14.63 28.47 76.39 14.50 28.77 75.22 13.57 28.89 77.41 12.40 27.93 77.52 3 0 62.40-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^D 148 15.69 27.79 76.87 15.60 27.58 77.84 17.01 25.88 75.87 16.36 25.10 76.54 16.85 27.39 76.08 18.10 27.91 76.78 2 0 60.42-999 ?-999 ?-999 ? C2 PEG J 2 mASN^D 149 17.92 25.49 74.95 18.41 26.26 74.56 16.89 23.28 74.51 16.80 22.16 75.06 18.17 24.08 74.56 19.22 23.39 75.45 2 0 60.03-999 ?-999 ?-999 ? C2 PEG J 2 mPRO^D 150 15.89 23.81 73.80 16.08 24.67 73.31 14.49 21.92 72.88 15.30 21.74 72.00 14.62 23.11 73.80 13.62 24.20 73.40 3 0 61.40-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^D 151 13.43 21.15 73.09 12.86 21.46 73.85 11.62 19.90 72.18 10.93 19.99 73.19 13.14 19.97 72.29 13.67 18.69 73.00 2 0 62.46-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^D 152 11.09 19.73 70.97 11.73 19.72 70.21 9.25 18.12 71.18 9.93 17.18 70.78 9.64 19.56 70.84 9.15 19.88 69.43 3 0 63.36-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~D 153 8.14 17.99 71.92 7.72 18.86 72.16 6.21 16.45 71.73 6.13 16.08 70.57 7.57 16.71 72.35 7.36 16.69 73.86 3 0 66.92-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~E 36 19.29 32.32 34.48 20.20 32.32 34.06 16.87 31.73 34.13 17.21 31.44 32.97 17.93 32.31 35.11 17.55 33.73 35.56 2 0 32.02-999 ?-999 ?-999 ? C2 PEG J 2 mPRO~E 37 15.59 31.57 34.58 15.45 31.87 35.52 14.24 31.64 32.34 14.06 32.87 32.24 14.51 31.00 33.73 13.27 31.13 34.63 3 0 35.14-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~E 38 14.19 30.77 31.31 14.34 29.83 31.60 12.45 31.39 29.58 11.57 30.76 30.18 13.93 31.15 29.90-999.99-999.99-999.99 1 0 34.81-999 ?-999 ?-999 ? O1 PEG J 2 mASP~E 39 12.20 32.25 28.60 13.04 32.56 28.15 9.75 31.62 28.00 8.57 31.91 28.25 10.84 32.71 28.20 10.93 33.65 26.97 2 0 36.24-999 ?-999 ?-999 ? O1 PEG J 2 mASP~E 40 10.10 30.40 27.59 11.08 30.30 27.39 8.94 28.54 28.77 7.85 28.06 29.09 9.09 29.33 27.45 9.36 28.39 26.25 2 0 39.53-999 ?-999 ?-999 ? O1 PEG J 2 mALA~E 41 10.04 28.39 29.51 10.87 28.77 29.12 9.04 28.50 31.72 8.26 27.91 32.47 9.99 27.70 30.81 11.40 27.59 31.43 2 0 40.11-999 ?-999 ?-999 ? O1 PEG J 2 mVAL~E 42 9.10 29.82 31.61 9.81 30.13 30.97 6.75 30.49 32.05 5.95 30.27 32.95 8.23 30.75 32.34 8.57 32.23 31.99 3 0 40.02-999 ?-999 ?-999 ? O1 PEG J 2 mALA~E 43 6.40 30.49 30.78 7.15 30.68 30.14 4.48 29.03 31.13 3.33 29.08 31.62 5.04 30.23 30.38 4.95 30.00 28.83 2 0 42.67-999 ?-999 ?-999 ? O1 PEG J 2 mSER~E 44 5.29 27.97 31.26 6.20 28.10 30.87 5.01 26.67 33.45 4.74 25.66 34.06 4.85 26.73 31.91 5.59 25.54 31.29 2 0 44.93-999 ?-999 ?-999 ? O1 PEG J 2 mMETE 45 5.46 27.73 34.09 5.74 28.49 33.50 4.13 28.02 36.08 3.37 28.75 35.48 5.53 27.74 35.53 6.47 28.84 36.02 2 0 44.51-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~E 46 3.80 27.43 37.22 4.49 26.78 37.55 2.58 29.16 38.41 3.65 29.71 38.66 2.56 27.72 37.91 2.37 26.75 39.08 2 0 47.53-999 ?-999 ?-999 ? O1 PEG J 2 mTHR^E 47 1.42 29.78 38.55 0.62 29.21 38.34 0.82 31.26 40.38 -0.14 30.60 40.72 1.34 31.16 38.98 0.41 32.00 38.07 2 0 47.18-999 ?-999 ?-999 ? O1 PEG J 2 mTYR^E 48 1.47 32.06 41.20 2.30 32.47 40.82 0.39 33.71 42.68 0.92 34.64 42.07 0.96 32.31 42.56 2.06 32.23 43.62 3 0 48.18-999 ?-999 ?-999 ? O1 PEG J 2 mSER^E 49 -0.67 33.85 43.47 -1.13 33.00 43.74 -0.23 35.43 45.08 0.44 34.52 45.61 -1.12 35.14 43.88 -2.57 35.12 44.34 2 0 49.36-999 ?-999 ?-999 ? O1 PEG J 2 mVAL~E 50 -0.22 36.67 45.56 -0.80 37.32 45.06 0.10 36.23 47.94 0.92 35.65 48.65 0.58 37.01 46.72 0.53 38.52 47.00 3 0 48.47-999 ?-999 ?-999 ? O1 PEG J 2 mALA~E 51 -1.20 36.17 48.16 -1.76 36.67 47.50 -1.29 33.94 49.28 -0.82 33.40 50.31 -1.73 35.42 49.31 -3.25 35.51 49.38 2 0 52.08-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~E 52 -1.39 33.31 48.12 -1.75 33.86 47.37 0.51 31.72 48.14 0.97 30.73 48.70 -1.00 31.91 47.99 -1.50 31.31 46.67 2 0 52.08-999 ?-999 ?-999 ? C2 PEG J 2 mPHE~E 53 1.32 32.65 47.67 0.90 33.43 47.22 3.14 32.63 49.32 4.04 31.94 49.83 2.74 32.44 47.85 3.57 33.30 46.92 3 0 48.73-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~E 54 2.45 33.51 50.03 1.70 33.96 49.54 2.18 32.81 52.40 2.62 32.73 53.53 2.82 33.77 51.42 2.49 35.21 51.79 3 0 49.85-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~E 55 1.22 32.00 51.96 1.03 32.06 50.97 1.40 30.27 53.73 1.27 30.31 54.95 0.50 31.13 52.88 -0.59 30.31 52.16 2 0 53.34-999 ?-999 ?-999 ? C2 PEG J 2 mPRO~E 56 2.30 29.47 53.14 2.32 29.52 52.14 4.12 29.36 54.87 4.51 28.83 55.92 3.18 28.61 53.95 3.99 27.81 52.92 3 0 52.83-999 ?-999 ?-999 ? C2 PEG J 2 mPHE~E 57 4.45 30.59 54.49 4.07 30.87 53.61 4.57 31.93 56.52 5.17 32.16 57.56 5.31 31.43 55.31 5.88 32.61 54.49 3 0 50.85-999 ?-999 ?-999 ? C2 PEG J 2 mTHR~E 58 3.26 32.09 56.40 2.92 31.92 55.48 2.32 31.32 58.48 2.24 31.52 59.68 2.42 32.48 57.51 1.01 32.91 57.00 2 0 53.85-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~E 59 2.29 30.10 57.97 2.33 30.05 56.97 3.54 28.67 59.58 3.56 28.53 60.79 2.21 28.94 58.85 1.79 27.71 58.08 3 0 56.07-999 ?-999 ?-999 ? C2 PEG J 2 mASN~E 60 4.64 28.63 58.82 4.48 28.80 57.85 7.02 28.85 58.42 7.38 28.14 57.49 5.96 28.35 59.38 6.13 26.84 59.62 2 0 54.01-999 ?-999 ?-999 ? C2 PEG J 2 mPRO~E 61 7.54 30.08 58.65 7.22 30.57 59.45 9.81 29.76 57.67 10.53 29.84 56.70 8.52 30.57 57.70 8.80 32.00 58.17 3 0 50.33-999 ?-999 ?-999 ? C2 PEG J 2 mALA~E 62 10.10 28.97 58.71 9.43 28.96 59.45 11.14 27.06 57.73 11.97 26.84 56.86 11.33 28.19 58.70 11.71 27.70 60.09 2 0 50.15-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~E 63 10.01 26.37 57.87 9.42 26.64 58.63 9.55 25.81 55.51 10.18 25.27 54.62 9.69 25.31 56.95 8.46 24.53 57.40 2 0 51.49-999 ?-999 ?-999 ? C2 PEG J 2 mALA~E 64 8.75 26.84 55.29 8.31 27.20 56.12 9.88 27.78 53.30 10.11 27.54 52.11 8.56 27.40 53.95 7.64 28.59 54.01 2 0 49.52-999 ?-999 ?-999 ? C2 PEG J 2 mSER~E 65 10.77 28.37 54.09 10.48 28.47 55.04 12.81 27.61 53.04 13.37 27.63 51.94 12.04 28.82 53.56 12.84 29.56 54.63 2 0 46.28-999 ?-999 ?-999 ? C2 PEG J 2 mSER~E 66 12.81 26.55 53.80 12.28 26.63 54.64 12.90 24.65 52.19 13.61 24.16 51.33 13.54 25.36 53.42 13.65 24.47 54.64 2 0 47.01-999 ?-999 ?-999 ? C2 PEG J 2 mASP~E 67 11.58 24.63 52.11 11.12 25.10 52.87 10.94 24.76 49.69 10.74 24.18 48.64 10.89 23.98 51.00 9.41 23.76 51.34 2 0 48.17-999 ?-999 ?-999 ? C2 PEG J 2 mTYR~E 68 11.12 26.08 49.74 11.20 26.43 50.68 12.63 27.38 48.23 12.86 27.97 47.17 11.19 26.93 48.53 10.22 28.15 48.64 3 0 45.13-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~E 69 13.59 27.02 49.08 13.30 26.38 49.80 15.60 27.28 47.62 15.76 26.17 47.18 14.96 27.51 48.96 15.87 26.96 50.06 3 0 42.50-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~E 70 16.00 28.36 46.97 15.82 29.23 47.44 15.70 27.98 44.50 16.18 27.82 43.36 16.65 28.25 45.67-999.99-999.99-999.99 1 0 39.32-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~E 71 14.39 27.90 44.76 14.12 27.99 45.73 12.98 29.02 43.15 13.09 30.06 43.80 13.44 27.68 43.70 12.22 26.88 44.15 2 0 40.97-999 ?-999 ?-999 ? C2 PEG J 2 mTRP^E 72 12.48 28.96 41.92 12.49 28.04 41.52 10.44 30.08 41.29 9.88 29.05 41.06 11.96 30.13 41.22 12.41 30.11 39.76 3 0 39.76-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^E 73 9.82 31.19 41.64 10.42 31.96 41.88 7.93 32.44 40.85 8.64 33.42 40.68 8.41 31.28 41.68 7.88 31.38 43.12 3 0 42.16-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^E 74 6.73 32.30 40.30 6.28 31.44 40.55 4.89 33.79 40.17 3.92 33.03 40.36 6.11 33.29 39.43 5.74 32.65 38.09 2 0 42.38-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 75 4.95 35.04 40.62 5.81 35.51 40.38 3.23 36.83 40.66 3.90 37.69 40.08 3.89 35.66 41.38 4.39 36.22 42.70 3 0 43.96-999 ?-999 ?-999 ? O1 PEG J 2 mARG^E 76 1.91 36.92 40.80 1.51 36.19 41.36 0.38 38.78 41.25 -0.23 38.24 42.17 1.13 37.97 40.20 0.15 37.31 39.24 2 0 45.14-999 ?-999 ?-999 ? O1 PEG J 2 mGLY^E 77 0.38 40.09 41.07 0.89 40.38 40.26 -0.25 42.45 41.48 0.25 42.74 40.39 -0.30 41.01 41.97-999.99-999.99-999.99 1 0 46.19-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 78 -0.78 43.36 42.29 -1.16 42.98 43.13 0.42 45.40 42.62 0.64 45.26 43.84 -0.79 44.76 41.98 -2.04 45.43 42.55 3 0 45.88-999 ?-999 ?-999 ? O1 PEG J 2 mILE^E 79 1.22 46.12 41.82 0.94 46.14 40.86 1.92 48.01 43.17 1.03 48.76 42.74 2.39 46.81 42.34 3.32 47.24 41.23 3 0 42.83-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 80 2.46 48.14 44.37 3.14 47.45 44.61 3.19 50.20 45.60 2.91 51.30 46.01 2.07 49.24 45.25 1.34 48.78 46.54 3 0 44.13-999 ?-999 ?-999 ? O1 PEG J 2 mASP^E 81 4.44 49.78 45.42 4.52 48.83 45.12 6.72 50.18 44.75 6.95 48.96 44.61 5.58 50.63 45.65 6.03 50.60 47.10 2 0 41.16-999 ?-999 ?-999 ? O1 PEG J 2 mILE^E 82 7.37 51.16 44.11 6.96 52.06 44.25 9.54 52.00 43.81 9.22 53.17 43.94 8.54 50.97 43.30 8.29 51.30 41.85 3 0 37.42-999 ?-999 ?-999 ? O1 PEG J 2 mARG^E 83 10.78 51.60 44.03 10.99 50.67 43.73 13.15 52.13 44.40 13.53 50.96 44.48 11.71 52.52 44.65 11.44 52.37 46.13 2 0 35.39-999 ?-999 ?-999 ? O1 PEG J 2 mARG^E 84 13.97 53.15 44.18 13.53 54.04 44.15 16.09 53.18 45.32 15.78 54.11 46.07 15.38 52.97 43.98 15.85 53.94 42.91 2 0 32.00-999 ?-999 ?-999 ? O1 PEG J 2 mLYS^E 85 17.03 52.30 45.63 17.20 51.60 44.93 19.23 52.36 46.70 19.74 51.73 45.79 17.73 52.37 46.89 17.31 51.22 47.81 2 0 32.00-999 ?-999 ?-999 ? C2 PEG J 2 mSER^E 86 19.92 53.12 47.55 19.33 53.63 48.17 21.94 51.90 48.03 21.47 51.32 49.01 21.36 53.20 47.60 21.79 54.18 48.67 2 0 29.81-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~E 87 22.99 51.48 47.34 23.30 52.11 46.63 24.94 50.25 48.32 25.51 51.29 48.49 23.60 50.19 47.64-999.99-999.99-999.99 1 0 28.22-999 ?-999 ?-999 ? C2 PEG J 2 mILE~E 88 25.44 49.09 48.72 24.84 48.30 48.57 27.80 48.94 48.22 27.52 48.44 47.13 26.76 49.02 49.35 26.90 47.79 50.32 3 0 27.64-999 ?-999 ?-999 ? C2 PEG J 2 mALA~E 89 28.99 49.45 48.49 29.05 49.91 49.37 29.76 49.78 46.09 29.79 48.96 45.15 30.11 49.34 47.53 30.68 47.89 47.56 2 0 24.28-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~E 90 29.44 51.07 45.95 29.42 51.55 46.82 27.90 51.30 43.88 27.69 51.73 42.75 29.16 51.72 44.65-999.99-999.99-999.99 1 0 22.37-999 ?-999 ?-999 ? C2 PEG J 2 mSER~E 91 27.02 50.51 44.47 27.22 50.29 45.43 24.58 50.75 44.07 24.53 51.67 44.87 25.88 50.04 43.73 25.69 48.54 44.01 2 0 23.82-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^E 92 23.53 50.35 43.37 23.75 49.74 42.61 21.31 49.59 43.29 21.73 48.74 42.54 22.18 50.75 43.69 21.79 52.10 43.04 3 0 26.50-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^E 93 20.11 49.52 43.86 19.94 50.25 44.51 17.75 49.01 43.61 17.56 50.18 43.94 19.17 48.44 43.52 19.38 47.23 44.46 3 0 28.89-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^E 94 16.74 48.19 43.31 17.01 47.27 43.01 14.55 47.65 44.23 14.81 46.45 44.21 15.35 48.63 43.41 14.73 48.66 42.04 3 0 31.88-999 ?-999 ?-999 ? O1 PEG J 2 mILE^E 95 13.53 48.15 44.89 13.46 49.15 44.82 11.23 47.62 45.05 10.78 48.78 44.97 12.60 47.36 45.65 12.57 47.74 47.13 3 0 35.56-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 96 10.60 46.55 44.58 11.16 45.72 44.65 8.43 45.73 45.02 8.80 44.61 45.36 9.25 46.55 44.02 9.25 45.92 42.62 3 0 37.57-999 ?-999 ?-999 ? O1 PEG J 2 mTHR^E 97 7.37 46.34 45.54 7.25 47.28 45.22 5.09 45.51 45.80 4.54 46.41 45.12 6.46 45.73 46.49 6.26 46.65 47.68 2 0 41.31-999 ?-999 ?-999 ? O1 PEG J 2 mMETE 98 4.49 44.35 46.06 4.98 43.80 46.73 2.23 43.46 46.44 2.58 42.79 47.41 3.23 43.93 45.42 3.58 42.79 44.45 2 0 43.86-999 ?-999 ?-999 ? O1 PEG J 2 mARG^E 99 0.97 43.81 46.22 0.82 44.39 45.42 -0.88 42.31 46.38 -0.83 42.23 45.16 -0.08 43.36 47.11 -1.03 44.48 47.56 2 0 47.63-999 ?-999 ?-999 ? O1 PEG J 2 mASP~E 100 -1.60 41.51 47.14 -1.49 41.64 48.12 -3.57 41.25 45.83 -4.24 42.16 46.35 -2.47 40.52 46.59 -3.13 39.69 47.69 2 0 50.07-999 ?-999 ?-999 ? O1 PEG J 2 mGLU~E 101 -3.77 40.81 44.60 -3.20 40.01 44.37 -6.12 41.52 44.24 -6.84 42.45 43.92 -4.71 41.42 43.68 -4.69 40.60 42.39 2 0 50.71-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~E 102 -6.51 40.58 45.10 -5.81 39.91 45.33 -7.89 40.86 47.12 -8.86 40.61 47.79 -7.86 40.56 45.63 -8.51 39.20 45.35 2 0 54.46-999 ?-999 ?-999 ? O1 PEG J 2 mASN~E 103 -6.81 41.43 47.63 -6.12 41.66 46.94 -6.90 40.47 49.95 -7.34 40.58 51.08 -6.66 41.70 49.06 -7.51 42.90 49.49 2 0 54.56-999 ?-999 ?-999 ? O1 PEG J 2 mLYS~E 104 -6.54 39.29 49.41 -6.20 39.37 48.48 -5.69 37.92 51.34 -5.83 37.03 52.20 -6.65 38.02 50.13 -6.43 36.85 49.15 2 0 55.84-999 ?-999 ?-999 ? O1 PEG J 2 mTHR~E 105 -4.71 38.82 51.39 -4.63 39.37 50.56 -3.47 40.44 52.62 -3.55 41.12 51.61 -3.83 38.96 52.56 -2.54 38.10 52.48 2 0 54.39-999 ?-999 ?-999 ? O1 PEG J 2 mASP~E 106 -3.13 40.94 53.79 -3.21 40.30 54.55 -1.13 42.43 53.80 -0.57 43.52 53.63 -2.66 42.34 53.90 -3.19 43.00 55.18 2 0 53.40-999 ?-999 ?-999 ? O1 PEG J 2 mLYS~E 107 -0.46 41.28 53.90 -1.04 40.48 54.08 1.36 41.50 52.33 0.62 41.15 51.42 0.99 41.20 53.77 1.51 39.81 54.16 2 0 50.54-999 ?-999 ?-999 ? C2 PEG J 2 mARG~E 108 2.47 42.18 52.15 2.93 42.44 53.00 4.21 41.74 50.55 4.93 41.41 51.46 2.95 42.53 50.83 3.28 44.01 50.78 2 0 47.11-999 ?-999 ?-999 ? O1 PEG J 2 mLEU^E 109 4.48 41.47 49.29 3.78 41.81 48.66 6.64 41.74 48.17 6.25 42.50 47.31 5.67 40.75 48.85 5.25 39.70 47.84 3 0 44.20-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^E 110 7.92 41.70 48.51 8.16 41.04 49.22 9.84 41.77 47.01 10.12 40.59 47.30 8.85 42.58 47.88 9.65 43.36 48.92 2 0 40.66-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^E 111 10.35 42.44 45.98 10.00 43.37 45.91 12.53 42.83 44.98 12.39 44.04 44.89 11.32 41.90 45.04 10.71 41.86 43.65 3 0 37.32-999 ?-999 ?-999 ? C2 PEG J 2 mASN^E 112 13.72 42.28 45.03 13.71 41.28 45.08 15.57 42.93 43.63 16.09 41.86 43.30 14.92 43.07 45.01 15.85 42.60 46.10 2 0 34.06-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^E 113 15.54 44.01 42.84 15.09 44.79 43.26 17.44 44.82 41.47 17.53 45.97 41.90 16.11 44.06 41.49 15.21 44.86 40.54 3 0 31.06-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^E 114 18.48 44.18 40.95 18.28 43.24 40.68 19.73 45.87 39.72 18.77 45.92 38.88 19.76 44.80 40.80-999.99-999.99-999.99 1 0 27.48-999 ?-999 ?-999 ? C2 PEG J 2 mSER~E 115 20.77 46.71 39.73 21.46 46.52 40.43 20.74 47.38 37.35 20.12 48.08 36.55 20.88 47.81 38.79 22.19 48.59 38.96 2 0 24.90-999 ?-999 ?-999 ? O1 PEG J 2 mHIS~E 116 21.26 46.21 37.02 21.67 45.72 37.79 19.84 45.42 35.14 19.66 45.15 33.97 21.24 45.70 35.64 22.07 44.41 35.52 3 0 23.51-999 ?-999 ?-999 ? O1 PEG J 2 mASN~E 117 18.85 45.48 35.99 19.07 45.73 36.94 16.65 46.41 35.66 15.48 46.29 35.86 17.53 45.20 35.51 16.92 43.90 36.12 2 0 26.81-999 ?-999 ?-999 ? O1 PEG J 2 mSER~E 118 17.23 47.58 35.47 18.19 47.54 35.22 15.42 48.97 34.54 14.39 49.56 34.81 16.47 48.80 35.63 17.40 50.02 35.69 2 0 27.11-999 ?-999 ?-999 ? O1 PEG J 2 mALA~E 119 15.64 48.46 33.35 16.53 48.00 33.24 13.31 47.91 32.71 12.26 48.42 32.43 14.61 48.58 32.29 15.07 48.06 30.97 2 0 27.80-999 ?-999 ?-999 ? O1 PEG J 2 mASP~E 120 13.38 46.78 33.41 14.30 46.44 33.56 11.42 46.93 34.93 10.20 47.03 34.91 12.16 46.11 33.89 12.46 44.75 34.55 2 0 30.97-999 ?-999 ?-999 ? O1 PEG J 2 mVAL~E 121 12.17 47.44 35.89 13.16 47.27 35.81 10.96 49.44 36.40 9.91 49.83 36.82 11.57 48.17 36.97 12.60 48.47 38.05 3 0 32.19-999 ?-999 ?-999 ? O1 PEG J 2 mGLU~E 122 11.60 50.04 35.41 12.44 49.58 35.11 9.86 51.11 33.97 9.21 52.09 33.64 11.10 51.26 34.83 12.19 51.97 34.06 2 0 31.67-999 ?-999 ?-999 ? O1 PEG J 2 mALA~E 123 9.51 49.89 33.63 10.12 49.17 33.96 7.16 49.33 33.76 6.04 49.27 33.29 8.32 49.67 32.83 8.55 48.56 31.76 2 0 33.90-999 ?-999 ?-999 ? O1 PEG J 2 mLEU~E 124 7.40 49.11 35.05 8.37 49.14 35.31 5.51 50.10 36.28 5.90 51.23 35.89 6.31 48.83 35.97 6.82 48.24 37.27 3 0 36.73-999 ?-999 ?-999 ? O1 PEG J 2 mSER~E 125 4.38 49.93 36.97 4.18 48.98 37.24 2.70 50.81 38.57 1.97 49.82 38.66 3.53 51.05 37.29 2.65 51.32 36.04 2 0 39.63-999 ?-999 ?-999 ? O1 PEG J 2 mASN~E 126 2.82 51.71 39.55 3.44 52.47 39.35 0.57 51.57 40.48 0.11 52.42 39.74 2.06 51.57 40.80 2.38 52.69 41.82 2 0 42.19-999 ?-999 ?-999 ? O1 PEG J 2 mGLY~E 127 -0.15 50.60 41.02 0.36 49.97 41.60 -1.96 49.50 39.68 -3.14 49.19 39.54 -1.58 50.50 40.77-999.99-999.99-999.99 1 0 45.61-999 ?-999 ?-999 ? O1 PEG J 2 mSER~E 128 -0.97 48.98 38.95 -0.06 49.29 39.23 -0.76 46.64 38.21 0.17 46.46 38.98 -1.20 48.05 37.85 -0.42 48.50 36.61 2 0 44.49-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 129 -1.42 45.65 37.62 -2.17 45.93 37.03 0.26 43.96 37.10 0.52 44.47 36.00 -1.05 44.28 37.84 -2.13 43.33 37.25 3 0 44.85-999 ?-999 ?-999 ? O1 PEG J 2 mALA^E 130 1.08 43.12 37.69 0.79 42.85 38.61 2.52 41.21 37.55 2.02 40.85 38.62 2.29 42.63 37.04 3.47 43.51 37.38 2 0 41.83-999 ?-999 ?-999 ? O1 PEG J 2 mTHR^E 131 3.27 40.42 36.77 3.56 40.86 35.92 5.14 39.09 37.08 5.75 39.54 36.09 3.63 39.07 37.10 3.10 38.06 36.06 2 0 41.59-999 ?-999 ?-999 ? O1 PEG J 2 mILE^E 132 5.74 38.64 38.17 5.13 38.29 38.89 7.67 37.29 38.77 7.11 36.68 39.71 7.18 38.65 38.28 7.66 39.76 39.24 3 0 38.94-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 133 8.70 36.81 38.09 8.97 37.37 37.31 10.57 36.01 39.33 11.24 36.97 39.03 9.39 35.59 38.45 9.88 34.87 37.22 3 0 38.30-999 ?-999 ?-999 ? O1 PEG J 2 mGLY^E 134 10.79 35.29 40.43 10.14 34.55 40.58 12.36 34.33 42.05 11.69 33.32 42.08 11.87 35.57 41.33-999.99-999.99-999.99 1 0 37.31-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^E 135 13.53 34.44 42.68 13.94 35.35 42.62 14.10 33.47 44.89 14.41 34.55 45.41 14.13 33.31 43.38 15.58 33.11 42.91 2 0 37.38-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~E 136 13.78 32.40 45.59 13.61 31.58 45.05 15.05 32.15 47.63 15.65 31.10 47.37 13.70 32.44 47.04 12.74 31.34 47.61 3 0 39.86-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~E 137 15.53 33.08 48.43 14.97 33.91 48.50 16.41 32.63 50.59 15.25 32.64 50.97 16.77 32.89 49.13 17.67 34.12 48.93 3 0 38.64-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~E 138 17.40 32.39 51.42 18.30 32.43 51.00 16.44 33.26 53.51 16.95 34.35 53.45 17.14 32.08 52.83 18.46 31.80 53.55 2 0 41.03-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~E 139 15.31 33.03 54.16 15.02 32.07 54.12 15.04 34.09 56.29 14.92 33.10 56.97 14.56 34.07 54.86 13.04 33.75 54.86 3 0 43.13-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~E 140 15.62 35.20 56.73 15.72 35.91 56.02 15.67 36.72 58.61 15.41 37.60 57.84 16.08 35.37 58.10 17.59 35.21 58.24 2 0 43.91-999 ?-999 ?-999 ? C2 PEG J 2 mASP~E 141 15.59 36.85 59.93 15.81 36.01 60.42 13.98 38.73 59.97 13.89 39.94 59.84 15.22 38.11 60.59 16.37 39.09 60.54 2 0 45.37-999 ?-999 ?-999 ? C2 PEG J 2 mSER~E 142 13.03 37.86 59.60 13.28 36.91 59.81 10.98 36.95 58.73 11.51 35.86 58.86 11.77 38.23 58.96 12.03 38.92 57.61 2 0 46.34-999 ?-999 ?-999 ? C2 PEG J 2 mTHR~E 143 9.70 37.10 58.41 9.40 38.05 58.37 8.35 35.96 56.67 7.65 35.05 56.28 8.85 35.96 58.13 7.63 35.99 59.02 2 0 48.44-999 ?-999 ?-999 ? C2 PEG J 2 mILE~E 144 8.72 36.96 55.89 9.33 37.61 56.35 9.55 37.23 53.69 10.42 38.01 54.02 8.29 37.11 54.51 7.51 38.44 54.31 3 0 46.23-999 ?-999 ?-999 ? C2 PEG J 2 mPRO~E 145 9.65 36.47 52.60 8.87 35.88 52.39 10.88 37.78 50.93 9.83 38.26 50.58 10.87 36.57 51.83 10.81 35.33 50.92 3 0 42.91-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^E 146 12.06 38.23 50.56 12.84 37.84 51.06 12.78 38.42 48.38 13.89 37.91 48.47 12.21 39.22 49.53 13.16 40.34 49.96 2 0 39.73-999 ?-999 ?-999 ? C2 PEG J 2 mLEU^E 147 12.02 38.29 47.30 11.14 38.77 47.33 13.66 38.15 45.46 13.69 39.36 45.31 12.49 37.49 46.19 11.35 37.21 45.22 3 0 38.26-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^E 148 14.59 37.35 44.97 14.37 36.38 45.09 15.93 37.47 42.83 15.16 36.63 42.31 15.83 37.82 44.33 17.01 37.17 45.05 2 0 34.60-999 ?-999 ?-999 ? C2 PEG J 2 mASN^E 149 16.92 38.09 42.19 17.47 38.66 42.80 15.92 37.95 39.91 15.75 37.07 39.08 17.20 37.97 40.76 18.03 36.71 40.48 2 0 31.76-999 ?-999 ?-999 ? C2 PEG J 2 mPRO^E 150 15.04 38.93 40.09 15.32 39.67 40.70 13.70 39.26 37.92 14.58 39.93 37.41 13.76 38.84 39.40 12.85 39.76 40.24 3 0 33.72-999 ?-999 ?-999 ? O1 PEG J 2 mLYS^E 151 12.65 38.80 37.25 12.06 38.21 37.79 10.91 39.36 35.74 10.13 38.55 36.21 12.40 39.14 35.85 12.83 38.01 34.86 2 0 33.42-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 152 10.52 40.46 35.13 11.26 41.06 34.83 8.68 39.95 33.73 9.34 39.92 32.72 9.13 40.77 34.91 8.96 42.29 34.67 3 0 35.46-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^E 153 7.57 39.23 33.87 7.16 39.33 34.78 6.14 39.30 32.02 5.12 39.79 32.53 7.02 38.38 32.80 6.17 37.23 33.33 3 0 37.69-999 ?-999 ?-999 ? O1 PEG J 2 mLYS~E 154 6.53 39.53 30.78 7.26 38.93 30.46 5.34 40.09 28.66 4.72 39.00 28.62 5.95 40.59 29.98 7.06 41.62 29.78 2 0 37.47-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~F 36 29.02 86.29 46.69 28.10 86.54 46.99 31.08 87.09 45.55 30.40 87.93 44.95 30.40 85.90 46.24 30.32 84.68 45.31 2 0 15.63-999 ?-999 ?-999 ? O1 PEG F 1 mPRO~F 37 32.44 87.18 45.63 32.90 86.46 46.16 33.44 88.04 43.47 33.64 86.86 43.06 33.11 88.30 44.96 34.39 88.50 45.81 3 0 14.48-999 ?-999 ?-999 ? O1 PEG F 1 mGLY~F 38 33.51 89.13 42.70 33.37 89.98 43.21 35.24 89.20 40.79 36.14 89.47 41.60 33.78 89.10 41.24-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? O1 PEG F 1 mASP~F 39 35.46 88.99 39.49 34.61 88.86 38.99 37.77 90.08 39.24 38.96 89.81 39.47 36.79 88.96 38.85 36.64 88.91 37.32 2 0 18.99-999 ?-999 ?-999 ? O1 PEG F 1 mASP~F 40 37.28 91.32 39.30 36.30 91.38 39.10 38.43 92.54 41.16 39.56 92.83 41.56 38.12 92.49 39.64 37.46 93.81 39.20 2 0 17.86-999 ?-999 ?-999 ? O1 PEG F 1 mALA~F 41 37.41 92.26 41.98 36.55 92.10 41.51 38.54 91.09 43.84 39.36 91.26 44.74 37.57 92.20 43.44 36.21 91.99 44.13 2 0 14.15-999 ?-999 ?-999 ? O1 PEG F 1 mVAL~F 42 38.45 89.95 43.15 37.74 89.96 42.45 40.77 89.13 43.10 41.65 88.85 43.91 39.32 88.80 43.40 38.88 87.56 42.59 3 0 14.32-999 ?-999 ?-999 ? O1 PEG F 1 mALA~F 43 41.01 89.71 41.94 40.18 89.84 41.39 43.06 90.99 42.54 44.27 90.88 42.70 42.34 90.12 41.50 42.24 90.91 40.18 2 0 16.22-999 ?-999 ?-999 ? O1 PEG F 1 mSER~F 44 42.30 91.85 43.22 41.32 91.76 43.03 43.09 92.28 45.57 43.65 92.98 46.40 42.86 92.82 44.16 41.93 94.02 44.27 2 0 13.69-999 ?-999 ?-999 ? O1 PEG F 1 mMETF 45 42.61 91.08 45.86 42.12 90.61 45.12 44.23 89.92 47.36 44.88 89.50 46.40 42.83 90.53 47.19 41.69 89.58 47.67 2 0 10.78-999 ?-999 ?-999 ? O1 PEG F 1 mGLN~F 46 44.70 89.91 48.58 44.14 90.38 49.27 45.82 87.71 48.66 44.74 87.14 48.74 45.93 89.25 48.87 46.35 89.58 50.28 2 0 10.69-999 ?-999 ?-999 ? C2 PEG F 1 mTHR^F 47 46.94 87.05 48.38 47.74 87.65 48.29 47.72 85.01 49.39 48.89 85.30 49.61 46.98 85.59 48.22 47.71 85.15 46.97 2 0 12.51-999 ?-999 ?-999 ? C2 PEG F 1 mTYR^F 48 47.02 84.26 50.21 46.05 84.20 49.99 48.29 82.29 50.83 47.92 81.76 49.80 47.65 83.59 51.32 46.60 83.15 52.37 3 0 11.52-999 ?-999 ?-999 ? C2 PEG F 1 mSER^F 49 49.24 81.80 51.61 49.59 82.43 52.30 48.92 79.70 52.51 48.26 80.32 53.34 49.73 80.46 51.45 51.22 80.39 51.72 2 0 14.55-999 ?-999 ?-999 ? C2 PEG F 1 mVAL~F 50 48.95 78.38 52.45 49.45 77.98 51.69 48.90 77.87 54.79 48.18 78.13 55.74 48.29 77.60 53.41 48.37 76.10 53.08 3 0 14.93-999 ?-999 ?-999 ? O2 PEG F 1 mALA~F 51 50.22 77.83 54.90 50.70 77.61 54.05 50.43 79.40 56.82 50.19 79.48 58.01 50.86 78.10 56.19 52.42 78.12 56.08 2 0 15.11-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~F 52 50.39 80.44 56.00 50.55 80.21 55.04 48.69 81.93 56.94 48.39 82.56 57.93 50.13 81.78 56.51 50.44 82.77 55.40 2 0 11.99-999 ?-999 ?-999 ? C3 PEG F 1 mPHE~F 53 47.79 81.34 56.18 48.16 80.85 55.40 46.05 80.62 57.78 45.30 81.08 58.64 46.37 81.43 56.51 45.51 80.99 55.35 3 0 9.83-999 ?-999 ?-999 ? O2 PEG F 1 mLEU~F 54 46.64 79.44 57.89 47.22 79.18 57.13 47.17 79.10 60.32 46.87 78.65 61.42 46.40 78.62 59.08 46.75 77.15 58.81 3 0 11.80-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~F 55 48.09 80.04 60.17 48.18 80.39 59.24 48.06 80.98 62.52 48.23 80.47 63.61 48.90 80.48 61.33 49.98 81.49 60.92 2 0 11.49-999 ?-999 ?-999 ? C3 PEG F 1 mPRO~F 56 47.14 81.93 62.30 47.09 82.27 61.36 45.42 81.30 64.00 45.15 81.32 65.20 46.29 82.41 63.40 45.41 83.47 62.75 3 0 8.90-999 ?-999 ?-999 ? C3 PEG F 1 mPHE~F 57 45.02 80.34 63.18 45.29 80.45 62.22 45.09 78.35 64.58 44.56 77.80 65.54 44.25 79.23 63.67 43.60 78.43 62.54 3 0 11.17-999 ?-999 ?-999 ? C3 PEG F 1 mTHR~F 58 46.38 78.25 64.30 46.65 78.77 63.49 47.51 78.10 66.48 47.69 77.38 67.45 47.30 77.47 65.12 48.66 77.29 64.35 2 0 14.08-999 ?-999 ?-999 ? C3 PEG F 1 mLEU~F 59 47.52 79.44 66.54 47.45 79.87 65.64 46.32 80.13 68.63 46.35 79.90 69.85 47.63 80.20 67.79 47.94 81.67 67.53 3 0 12.94-999 ?-999 ?-999 ? O4 PEG F 1 mASN~F 60 45.19 80.36 67.97 45.30 80.52 66.99 42.78 80.32 67.62 42.37 81.34 67.09 43.91 80.37 68.64 43.77 81.61 69.53 2 0 12.09-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~F 61 42.26 79.11 67.35 42.64 78.34 67.86 39.93 79.69 66.79 39.17 80.11 65.93 41.21 78.99 66.36 41.00 77.50 66.25 3 0 12.23-999 ?-999 ?-999 ? O2 PEG F 1 mALA~F 62 39.67 79.84 68.08 40.34 79.44 68.70 38.58 82.04 68.04 37.69 82.59 67.45 38.45 80.57 68.47 38.16 80.45 69.93 2 0 12.28-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~F 63 39.72 82.65 68.31 40.41 82.09 68.77 39.94 84.20 66.42 39.31 85.13 65.88 39.92 84.02 67.94 41.22 84.59 68.52 2 0 8.81-999 ?-999 ?-999 ? O4 PEG F 1 mALA~F 64 40.68 83.33 65.76 41.13 82.64 66.33 39.46 83.18 63.62 39.13 83.91 62.69 40.81 83.37 64.32 41.82 82.31 63.85 2 0 7.49-999 ?-999 ?-999 ? O2 PEG F 1 mSER~F 65 38.68 82.22 64.07 39.06 81.70 64.83 36.51 83.18 63.65 35.74 83.55 62.76 37.39 81.96 63.47 36.71 80.74 64.10 2 0 9.03-999 ?-999 ?-999 ? O2 PEG F 1 mSER~F 66 36.63 83.83 64.79 37.30 83.45 65.43 36.31 86.22 64.24 35.51 87.00 63.75 35.84 85.01 65.06 35.90 85.26 66.54 2 0 8.71-999 ?-999 ?-999 ? O2 PEG F 1 mASP~F 67 37.61 86.38 64.06 38.17 85.67 64.49 37.81 87.36 61.77 37.61 88.36 61.08 38.12 87.50 63.27 39.64 87.63 63.42 2 0 4.91-999 ?-999 ?-999 ? C4 PEG F 1 mTYR~F 68 37.76 86.12 61.29 37.90 85.40 61.97 36.06 85.56 59.56 35.73 85.46 58.37 37.51 85.86 59.91 38.35 84.68 59.45 3 0 4.98-999 ?-999 ?-999 ? O2 PEG F 1 mLEU~F 69 35.21 85.38 60.57 35.62 85.53 61.47 33.15 85.80 59.22 33.08 87.02 59.29 33.81 84.99 60.33 32.97 85.11 61.63 3 0 8.52-999 ?-999 ?-999 ? O2 PEG F 1 mGLY~F 70 32.69 85.09 58.21 32.84 84.11 58.31 32.90 86.36 56.01 32.39 86.81 54.98 32.01 85.69 57.05-999.99-999.99-999.99 1 0 9.73-999 ?-999 ?-999 ? O1 PEG F 1 mLYS~F 71 34.21 86.42 56.25 34.49 85.98 57.10 35.62 86.10 54.29 35.60 84.88 54.48 35.12 87.07 55.34 36.33 87.65 56.08 2 0 -6.81-999 ?-999 ?-999 ? O1 PEG F 1s mTRP^F 72 36.04 86.66 53.16 35.97 87.66 53.13 38.07 85.94 52.03 38.63 87.03 52.20 36.56 85.86 52.06 36.01 86.38 50.75 3 0 8.52-999 ?-999 ?-999 ? O1 PEG F 1 mVAL^F 73 38.70 84.80 51.79 38.09 84.01 51.71 40.47 83.95 50.36 39.69 83.11 49.90 40.13 84.70 51.65 40.79 83.98 52.85 3 0 8.54-999 ?-999 ?-999 ? C2 PEG F 1 mLYS^F 74 41.63 84.28 49.79 42.12 84.98 50.30 43.42 82.95 48.95 44.41 83.58 49.40 42.14 83.68 48.55 42.43 84.77 47.51 2 0 11.66-999 ?-999 ?-999 ? C2 PEG F 1 mVAL^F 75 43.39 81.61 48.81 42.55 81.26 48.39 45.03 79.95 48.09 44.28 79.41 47.29 44.49 80.77 49.24 44.07 79.80 50.37 3 0 13.35-999 ?-999 ?-999 ? C2 PEG F 1 mARG^F 76 46.34 79.86 48.02 46.83 80.35 48.75 47.82 78.00 47.63 48.42 78.18 48.69 47.01 79.12 46.99 47.88 80.11 46.25 2 0 16.75-999 ?-999 ?-999 ? C2 PEG F 1 mGLY^F 77 47.81 76.83 46.98 47.23 76.84 46.17 48.56 74.50 46.42 47.98 74.63 45.32 48.60 75.66 47.44-999.99-999.99-999.99 1 0 19.46-999 ?-999 ?-999 ? C2 PEG F 1 mVAL^F 78 49.20 73.38 46.76 49.70 73.41 47.62 47.95 71.39 46.34 47.78 71.10 47.52 49.15 72.21 45.90 50.41 71.35 45.98 3 0 23.09-999 ?-999 ?-999 ? C2 PEG F 1 mILE^F 79 47.11 71.04 45.38 47.35 71.35 44.46 46.44 68.85 45.89 47.23 68.37 45.11 45.94 70.25 45.65 45.00 70.27 44.46 3 0 23.90-999 ?-999 ?-999 ? C2 PEG F 1 mVAL^F 80 46.04 68.23 46.99 45.44 68.77 47.58 45.33 65.85 47.29 45.57 64.68 47.26 46.49 66.86 47.28 47.26 66.73 48.64 3 0 25.12-999 ?-999 ?-999 ? C3 PEG J 2 mASP^F 81 44.08 66.30 47.34 44.00 67.29 47.41 41.75 66.10 46.75 41.56 67.27 47.07 42.95 65.38 47.29 42.63 64.85 48.66 2 0 24.25-999 ?-999 ?-999 ? C3 PEG J 2 mILE^F 82 40.97 65.38 45.93 41.35 64.47 45.77 38.78 64.63 45.43 39.08 63.55 44.98 39.73 65.82 45.31 39.92 66.14 43.81 3 0 23.43-999 ?-999 ?-999 ? C3 PEG J 2 mARG^F 83 37.62 64.85 46.03 37.48 65.80 46.30 35.24 64.30 46.11 34.88 65.35 46.64 36.65 63.84 46.28 36.65 63.55 47.78 2 0 23.85-999 ?-999 ?-999 ? C1 PEG J 2 mARG^F 84 34.41 63.44 45.52 34.85 62.62 45.14 32.41 62.96 46.65 32.79 61.85 46.94 33.01 63.67 45.44 32.49 63.13 44.13 2 0 24.21-999 ?-999 ?-999 ? C1 PEG J 2 mLYS^F 85 31.48 63.60 47.34 31.20 64.47 46.95 29.38 63.03 48.55 28.74 63.90 47.94 30.92 63.05 48.58 31.49 63.86 49.76 2 0 27.32-999 ?-999 ?-999 ? C1 PEG J 2 mSER^F 86 28.79 62.02 49.18 29.41 61.34 49.57 26.82 62.95 50.22 27.35 63.08 51.29 27.35 61.92 49.26 26.93 60.57 49.81 2 0 29.13-999 ?-999 ?-999 ? C1 PEG J 2 mGLY~F 87 25.74 63.62 49.85 25.38 63.38 48.95 23.85 64.23 51.36 23.29 63.16 51.12 25.13 64.63 50.69-999.99-999.99-999.99 1 0 30.67-999 ?-999 ?-999 ? O2 PEG F 1 mILE~F 88 23.36 65.11 52.22 23.94 65.92 52.34 21.05 65.47 52.00 21.34 66.39 51.23 22.10 64.90 52.94 22.06 65.70 54.31 3 0 31.61-999 ?-999 ?-999 ? O2 PEG F 1 mALA~F 89 19.83 64.95 52.09 19.76 64.18 52.73 18.95 65.58 49.78 18.86 66.70 49.21 18.69 65.47 51.31 18.26 66.83 51.88 2 0 33.73-999 ?-999 ?-999 ? O2 PEG F 1 mGLY~F 90 19.25 64.42 49.18 19.32 63.66 49.83 20.70 64.87 47.08 20.93 64.77 45.88 19.45 64.24 47.72-999.99-999.99-999.99 1 0 33.57-999 ?-999 ?-999 ? C1 PEG J 2 mSER~F 91 21.54 65.50 47.87 21.35 65.43 48.85 23.98 65.49 47.21 24.11 64.36 47.63 22.65 66.24 47.29 22.86 67.53 48.08 2 0 31.96-999 ?-999 ?-999 ? C2 PEG F 1 mTYR^F 92 24.96 66.14 46.60 24.68 66.98 46.13 27.16 66.92 46.63 26.69 67.99 46.28 26.31 65.67 46.62 26.65 64.73 45.46 3 0 29.17-999 ?-999 ?-999 ? C1 PEG J 2 mTYR^F 93 28.40 66.78 47.06 28.66 65.85 47.31 30.72 67.45 46.93 30.95 66.25 46.73 29.27 67.93 47.14 29.06 68.65 48.51 3 0 27.34-999 ?-999 ?-999 ? C2 PEG F 1 mPHE^F 94 31.68 68.36 46.93 31.38 69.31 47.04 33.94 68.54 47.87 33.69 69.65 48.32 33.06 67.94 46.78 33.63 68.38 45.44 3 0 26.08-999 ?-999 ?-999 ? C2 PEG F 1 mILE^F 95 34.96 67.78 48.27 34.97 66.87 47.86 37.28 68.26 48.44 37.67 67.27 47.82 35.96 68.23 49.21 36.14 67.28 50.39 3 0 23.98-999 ?-999 ?-999 ? O2 PEG F 1 mVAL^F 96 37.95 69.39 48.51 37.51 70.10 49.06 40.19 69.99 48.96 39.96 70.96 49.67 39.22 69.59 47.85 39.14 70.75 46.82 3 0 22.93-999 ?-999 ?-999 ? C2 PEG F 1 mTHR^F 97 41.28 69.23 49.09 41.36 68.49 48.42 43.51 70.00 49.51 43.94 69.50 48.48 42.25 69.46 50.12 42.54 68.15 50.83 2 0 21.92-999 ?-999 ?-999 ? O2 PEG F 1 mMETF 98 44.15 70.94 50.22 43.74 71.09 51.12 46.45 71.73 50.77 46.20 72.01 51.94 45.31 71.68 49.74 44.81 73.11 49.47 2 0 20.52-999 ?-999 ?-999 ? O2 PEG F 1 mARG^F 99 47.70 71.47 50.34 47.78 71.20 49.38 49.62 72.87 50.93 49.51 73.40 49.81 48.83 71.60 51.25 49.77 70.40 51.17 2 0 20.92-999 ?-999 ?-999 ? O2 PEG F 1 mASP~F 100 50.43 73.33 51.89 50.42 72.82 52.74 52.17 74.22 50.50 52.83 73.19 50.45 51.24 74.51 51.66 52.06 74.88 52.88 2 0 19.48-999 ?-999 ?-999 ? O2 PEG F 1 mGLU~F 101 52.26 75.17 49.59 51.72 75.98 49.81 54.54 74.59 48.66 55.14 73.83 47.89 53.09 75.01 48.38 53.05 76.31 47.59 2 0 21.58-999 ?-999 ?-999 ? C2 PEG F 1 mGLN~F 102 55.09 75.04 49.78 54.48 75.59 50.35 56.53 73.95 51.42 57.55 73.96 52.06 56.46 74.75 50.13 57.23 76.08 50.29 2 0 23.05-999 ?-999 ?-999 ? O2 PEG F 1 mASN~F 103 55.44 73.30 51.82 54.65 73.41 51.21 55.84 73.26 54.31 56.41 72.69 55.24 55.42 72.49 53.05 56.32 71.25 52.88 2 0 22.90-999 ?-999 ?-999 ? O2 PEG F 1 mLYS~F 104 55.58 74.56 54.37 55.14 74.92 53.54 55.04 74.93 56.76 55.26 75.36 57.87 55.93 75.35 55.56 55.83 76.87 55.30 2 0 20.56-999 ?-999 ?-999 ? C3 PEG F 1 mTHR~F 105 53.97 74.17 56.49 53.80 74.05 55.52 52.72 72.21 57.08 52.63 71.96 55.89 53.14 73.57 57.55 51.87 74.37 57.92 2 0 19.77-999 ?-999 ?-999 ? O2 PEG F 1 mASP~F 106 52.49 71.32 58.03 52.64 71.65 58.96 50.51 69.92 57.65 49.94 68.95 57.20 52.04 69.98 57.66 52.69 68.90 58.55 2 0 22.15-999 ?-999 ?-999 ? O2 PEG F 1 mLYS~F 107 49.85 70.99 58.09 50.46 71.71 58.42 47.78 71.35 56.72 48.34 72.08 55.92 48.39 71.09 58.10 47.95 72.20 59.06 2 0 19.54-999 ?-999 ?-999 ? O2 PEG F 1 mARG~F 108 46.63 70.75 56.45 46.27 70.20 57.21 44.74 71.78 55.28 44.11 71.83 56.33 45.95 70.89 55.16 45.40 69.55 54.66 2 0 19.43-999 ?-999 ?-999 ? O2 PEG F 1 mLEU^F 109 44.38 72.42 54.18 44.99 72.26 53.40 42.21 72.57 53.20 42.61 72.09 52.15 43.20 73.26 54.12 43.56 74.62 53.57 3 0 16.96-999 ?-999 ?-999 ? O2 PEG F 1 mTHR^F 110 40.94 72.47 53.62 40.76 72.87 54.52 38.92 72.88 52.36 38.75 73.89 53.03 39.92 71.83 52.80 39.21 70.74 53.57 2 0 18.69-999 ?-999 ?-999 ? O2 PEG F 1 mPHE^F 111 38.30 72.66 51.21 38.58 71.80 50.79 36.11 72.70 50.30 36.25 71.61 49.74 37.31 73.55 50.61 37.82 74.10 49.29 3 0 18.46-999 ?-999 ?-999 ? O2 PEG F 1 mASN^F 112 34.93 73.20 50.59 34.93 74.12 50.97 32.96 72.99 49.19 32.39 74.03 49.33 33.73 72.40 50.36 32.92 72.40 51.62 2 0 20.57-999 ?-999 ?-999 ? O2 PEG F 1 mPHE^F 113 32.97 72.33 48.04 33.50 71.48 48.05 30.92 72.20 46.72 30.82 70.98 46.78 32.25 72.86 46.87 32.97 72.56 45.56 3 0 22.36-999 ?-999 ?-999 ? C2 PEG F 1 mGLY^F 114 29.90 73.00 46.46 30.14 73.96 46.43 28.49 71.91 44.85 29.34 72.23 44.03 28.54 72.46 46.24-999.99-999.99-999.99 1 0 24.65-999 ?-999 ?-999 ? C2 PEG F 1 mSER~F 115 27.47 71.10 44.56 26.83 70.99 45.32 27.27 71.38 42.06 27.67 71.02 40.97 27.34 70.44 43.24 26.12 69.50 43.21 2 0 28.21-999 ?-999 ?-999 ? C2 PEG F 1 mHIS~F 116 26.76 72.57 42.28 26.45 72.72 43.22 28.08 73.98 40.74 28.22 74.54 39.66 26.68 73.57 41.22 25.88 74.82 41.66 3 0 27.56-999 ?-999 ?-999 ? O1 PEG F 1 mASN~F 117 29.12 73.71 41.49 28.94 73.20 42.34 31.28 73.00 40.60 32.51 73.06 40.64 30.42 74.16 41.04 31.11 75.05 42.09 2 0 25.72-999 ?-999 ?-999 ? C2 PEG F 1 mSER~F 118 30.65 71.98 40.06 29.66 72.07 39.99 32.38 71.11 38.46 33.38 70.42 38.33 31.41 70.82 39.63 30.47 69.65 39.34 2 0 25.32-999 ?-999 ?-999 ? C1 PEG J 2 mALA~F 119 32.10 72.11 37.63 31.23 72.56 37.79 34.38 72.93 37.20 35.43 72.53 36.74 33.06 72.46 36.57 32.51 73.53 35.63 2 0 24.45-999 ?-999 ?-999 ? C1 PEG J 2 mASP~F 120 34.37 73.75 38.24 33.47 74.05 38.57 36.39 72.93 39.37 37.58 72.78 39.17 35.65 74.14 38.81 35.53 75.14 39.97 2 0 25.69-999 ?-999 ?-999 ? C2 PEG F 1 mVAL~F 121 35.67 72.06 40.07 34.69 72.23 40.12 36.94 70.00 39.65 38.08 69.57 39.79 36.33 70.95 40.71 35.38 70.26 41.70 3 0 24.36-999 ?-999 ?-999 ? C1 PEG J 2 mGLU~F 122 36.23 69.77 38.55 35.35 70.24 38.51 37.94 69.43 36.75 38.65 68.69 36.05 36.72 68.87 37.51 35.59 68.47 36.55 2 0 20.81-999 ?-999 ?-999 ? C1 PEG J 2 mALA~F 123 38.22 70.71 36.93 37.60 71.20 37.55 40.56 71.22 37.17 41.66 71.50 36.71 39.35 71.31 36.27 39.04 72.77 35.88 2 0 21.70-999 ?-999 ?-999 ? C1 PEG J 2 mLEU~F 124 40.40 70.88 38.44 39.45 70.71 38.72 42.40 69.51 39.03 42.01 68.66 38.26 41.59 70.77 39.31 41.24 70.85 40.79 3 0 22.66-999 ?-999 ?-999 ? C1 PEG J 2 mSER~F 125 43.56 69.42 39.65 43.78 70.17 40.29 45.36 68.03 40.60 46.16 68.89 40.97 44.44 68.30 39.40 45.21 68.63 38.14 2 0 20.52-999 ?-999 ?-999 ? C4 PEG J 2 mASN~F 126 45.23 66.85 41.22 44.51 66.26 40.85 47.53 66.62 41.93 47.90 66.15 40.86 46.08 66.50 42.36 45.87 65.07 42.84 2 0 21.10-999 ?-999 ?-999 ? C4 PEG J 2 mGLY~F 127 48.34 67.25 42.77 47.91 67.56 43.62 49.98 68.82 41.77 51.10 69.15 41.57 49.72 67.47 42.45-999.99-999.99-999.99 1 0 22.16-999 ?-999 ?-999 ? C4 PEG J 2 mSER~F 128 48.94 69.57 41.42 48.05 69.17 41.64 48.65 72.03 41.65 47.66 71.96 42.40 49.09 70.87 40.79 48.27 70.92 39.52 2 0 23.55-999 ?-999 ?-999 ? C4 PEG J 2 mVAL^F 129 49.36 73.14 41.50 50.13 73.09 40.86 47.67 74.86 41.80 47.32 74.77 40.62 49.01 74.32 42.26 50.03 75.44 42.09 3 0 23.77-999 ?-999 ?-999 ? C2 PEG F 1 mALA^F 130 46.91 75.39 42.75 47.27 75.30 43.68 45.47 77.21 43.42 46.01 77.21 44.53 45.67 76.06 42.43 44.51 75.08 42.47 2 0 21.60-999 ?-999 ?-999 ? C2 PEG F 1 mTHR^F 131 44.69 78.19 42.99 44.35 78.08 42.06 42.86 79.32 43.97 42.17 79.31 42.98 44.35 79.33 43.84 44.84 80.63 43.23 2 0 18.26-999 ?-999 ?-999 ? C2 PEG F 1 mILE^F 132 42.35 79.28 45.20 43.03 79.31 45.93 40.43 80.28 46.37 41.04 80.53 47.42 40.90 79.20 45.41 40.44 77.79 45.95 3 0 16.80-999 ?-999 ?-999 ? C2 PEG F 1 mVAL^F 133 39.35 80.93 46.01 39.01 80.69 45.10 37.62 81.18 47.64 36.92 80.33 47.04 38.73 81.92 46.90 38.15 83.08 46.13 3 0 14.16-999 ?-999 ?-999 ? C2 PEG F 1 mGLY^F 134 37.47 81.49 48.92 38.12 82.18 49.24 36.11 81.68 51.00 36.83 82.59 51.39 36.47 80.86 49.77-999.99-999.99-999.99 1 0 13.29-999 ?-999 ?-999 ? C2 PEG F 1 mGLN^F 135 35.01 81.34 51.63 34.56 80.52 51.27 34.62 81.26 54.05 34.33 80.06 54.06 34.52 82.08 52.77 33.06 82.48 52.50 2 0 11.63-999 ?-999 ?-999 ? C2 PEG F 1 mVAL~F 136 35.03 81.91 55.13 35.27 82.87 54.96 33.81 81.33 57.17 33.23 82.38 57.34 35.14 81.29 56.43 36.17 82.04 57.33 3 0 10.45-999 ?-999 ?-999 ? O2 PEG F 1 mHIS~F 137 33.33 80.18 57.60 33.89 79.39 57.33 32.56 79.72 59.78 33.75 79.64 60.03 32.10 80.07 58.37 31.20 78.98 57.77 3 0 12.95-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~F 138 31.65 79.48 60.72 30.70 79.51 60.42 32.91 77.89 62.10 32.53 76.93 61.46 32.12 79.20 62.07 30.97 79.18 63.07 2 0 13.72-999 ?-999 ?-999 ? O2 PEG F 1 mVAL~F 139 34.06 77.89 62.79 34.30 78.78 63.19 34.52 76.12 64.30 34.67 76.79 65.31 34.87 76.71 62.94 36.32 77.07 62.91 3 0 14.38-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~F 140 34.00 74.89 64.30 33.88 74.51 63.38 34.02 72.69 65.39 33.94 72.12 64.32 33.64 74.16 65.50 32.14 74.20 65.76 2 0 17.83-999 ?-999 ?-999 ? O2 PEG F 1 mASP~F 141 34.38 72.10 66.51 34.40 72.69 67.32 35.93 70.43 65.66 36.11 69.35 65.15 34.73 70.70 66.54 33.52 69.86 66.12 2 0 20.78-999 ?-999 ?-999 ? O2 PEG F 1 mSER~F 142 36.79 71.43 65.57 36.57 72.22 66.14 38.73 72.63 65.00 38.21 73.58 65.60 37.93 71.38 64.72 37.43 71.42 63.28 2 0 18.81-999 ?-999 ?-999 ? O2 PEG F 1 mTHR~F 143 39.98 72.66 64.56 40.31 71.83 64.12 41.14 74.44 63.37 41.79 75.46 63.33 40.78 73.84 64.72 42.11 73.52 65.43 2 0 16.18-999 ?-999 ?-999 ? O2 PEG F 1 mILE~F 144 40.72 73.84 62.28 40.14 73.04 62.45 39.78 74.54 60.19 38.94 73.65 60.13 41.08 74.32 60.95 41.89 73.23 60.18 3 0 14.93-999 ?-999 ?-999 ? O2 PEG F 1 mPRO~F 145 39.64 75.67 59.54 40.40 76.33 59.58 38.33 75.07 57.53 39.36 74.73 56.96 38.41 75.86 58.84 38.44 77.34 58.47 3 0 13.64-999 ?-999 ?-999 ? O2 PEG F 1 mTHR^F 146 37.10 74.75 57.11 36.38 74.93 57.77 36.17 75.38 55.12 35.08 75.78 55.53 36.84 74.21 55.80 35.90 73.05 55.81 2 0 16.06-999 ?-999 ?-999 ? O2 PEG F 1 mLEU^F 147 36.82 75.95 54.12 37.69 75.52 53.87 35.00 76.75 52.64 34.93 75.66 52.10 36.25 77.12 53.46 37.29 77.82 52.59 3 0 14.42-999 ?-999 ?-999 ? O2 PEG F 1 mGLN^F 148 34.03 77.67 52.59 34.29 78.53 53.04 32.53 78.35 50.69 33.26 79.30 50.48 32.74 77.47 51.94 31.65 77.83 52.96 2 0 16.28-999 ?-999 ?-999 ? C2 PEG F 1 mASN^F 149 31.49 78.01 49.90 30.97 77.24 50.27 32.36 79.06 47.82 32.50 80.18 47.43 31.13 78.66 48.63 30.28 79.88 48.90 2 0 17.88-999 ?-999 ?-999 ? C2 PEG F 1 mPRO^F 150 33.26 78.11 47.58 33.00 77.19 47.86 34.43 78.70 45.48 33.44 78.34 44.87 34.51 78.49 46.95 35.45 77.29 47.24 3 0 17.42-999 ?-999 ?-999 ? C2 PEG F 1 mLYS^F 151 35.51 79.26 44.94 36.24 79.45 45.60 37.10 79.46 43.12 37.95 80.03 43.78 35.63 79.57 43.51 35.17 81.01 43.29 2 0 18.88-999 ?-999 ?-999 ? C2 PEG F 1 mVAL^F 152 37.42 78.74 42.06 36.64 78.30 41.61 39.15 79.85 40.79 38.35 80.24 39.96 38.81 78.62 41.62 39.01 77.34 40.76 3 0 20.31-999 ?-999 ?-999 ? C2 PEG F 1 mVAL~F 153 40.33 80.43 40.98 40.93 79.97 41.62 41.97 81.67 39.46 42.78 80.77 39.61 40.67 81.67 40.25 40.65 82.88 41.23 3 0 19.90-999 ?-999 ?-999 ? C2 PEG F 1 mPRO~G 37 34.25 83.41 92.27 33.63 82.84 91.74 35.52 85.61 92.40 35.69 85.69 91.17 35.17 84.25 93.05 36.41 83.35 93.19 3 0 31.75-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~G 38 35.61 86.65 93.23 35.42 86.42 94.18 37.47 88.22 92.63 38.26 87.39 93.07 35.96 88.01 92.78-999.99-999.99-999.99 1 0 30.75-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 39 37.86 89.34 92.02 37.09 89.92 91.74 40.14 89.67 93.07 41.33 89.30 93.04 39.28 89.68 91.79 39.42 91.04 91.09 2 0 29.17-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 40 39.54 90.07 94.18 38.60 90.38 94.06 40.53 88.61 95.88 41.68 88.25 96.13 40.24 90.06 95.46 39.42 90.77 96.57 2 0 32.75-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 41 39.47 87.80 95.93 38.61 88.23 95.69 40.58 85.65 95.44 41.47 84.95 95.93 39.58 86.40 96.32 38.21 85.72 96.28 2 0 33.93-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 42 40.46 85.82 94.13 39.70 86.42 93.86 42.82 85.57 93.42 43.67 84.70 93.54 41.36 85.18 93.18 41.00 85.51 91.74 3 0 30.92-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 43 43.09 86.87 93.49 42.30 87.47 93.37 45.11 86.72 94.99 46.33 86.52 95.00 44.46 87.35 93.73 44.49 88.88 93.77 2 0 31.22-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 44 44.32 86.41 96.03 43.36 86.66 95.88 44.90 84.21 97.22 45.48 83.60 98.10 44.83 85.76 97.26 44.00 86.18 98.49 2 0 34.95-999 ?-999 ?-999 ? O4 PEG F 1 mMETG 45 44.30 83.55 96.24 43.77 84.13 95.62 45.83 81.67 95.70 46.51 82.34 94.93 44.42 82.08 96.11 43.50 81.52 95.02 2 0 34.52-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 46 46.26 80.55 96.21 45.64 80.13 96.87 47.34 79.51 94.39 46.23 79.21 93.96 47.51 79.98 95.82 47.83 78.78 96.69 2 0 35.17-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^G 47 48.46 79.44 93.68 49.26 79.75 94.19 49.21 77.62 92.30 50.24 77.47 92.88 48.52 78.97 92.32 49.35 79.95 91.48 2 0 32.45-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^G 48 48.65 76.65 91.62 47.75 76.89 91.26 49.85 75.20 90.05 49.33 75.78 89.09 49.30 75.36 91.44 48.28 74.25 91.46 3 0 33.33-999 ?-999 ?-999 ? O4 PEG F 1 mSER^G 49 50.84 74.34 89.91 51.27 74.03 90.76 50.22 72.78 88.22 49.43 72.30 89.06 51.23 73.92 88.60 52.66 73.40 88.57 2 0 32.15-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 50 50.24 72.37 86.97 50.85 72.88 86.36 49.86 69.96 87.22 49.02 69.20 87.65 49.43 71.27 86.53 49.47 71.13 85.00 3 0 31.60-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 51 51.15 69.71 87.35 51.73 70.41 86.93 51.15 68.45 89.47 50.67 67.42 89.94 51.64 68.50 88.04 53.14 68.47 88.05 2 0 35.00-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 52 51.31 69.58 90.17 51.71 70.34 89.67 49.42 69.37 91.72 49.01 68.56 92.57 50.91 69.64 91.57 51.29 71.01 92.18 2 0 36.79-999 ?-999 ?-999 ? O4 PEG F 1 mPHE~G 53 48.61 70.00 90.90 49.05 70.57 90.21 46.73 68.43 90.69 45.85 67.89 91.36 47.17 69.83 91.04 46.42 70.86 90.20 3 0 35.54-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~G 54 47.31 67.83 89.66 48.02 68.37 89.20 47.46 65.35 90.16 46.95 64.24 90.11 46.92 66.48 89.26 47.28 66.22 87.81 3 0 36.27-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 55 48.45 65.61 91.00 48.74 66.57 91.01 47.97 63.77 92.62 47.85 62.56 92.50 49.03 64.55 91.81 50.19 65.11 92.68 2 0 39.74-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~G 56 47.17 64.46 93.43 47.30 65.44 93.51 45.31 62.82 93.16 44.94 61.69 93.50 46.17 63.65 94.12 45.31 64.68 94.86 3 0 41.66-999 ?-999 ?-999 ? O4 PEG F 1 mPHE~G 57 44.95 63.37 92.01 45.27 64.31 91.87 44.90 61.42 90.45 44.31 60.42 90.05 44.14 62.61 91.04 43.62 63.50 89.93 3 0 39.96-999 ?-999 ?-999 ? O4 PEG F 1 mTHR~G 58 46.22 61.54 90.40 46.56 62.42 90.73 47.12 59.32 90.89 47.15 58.16 90.48 47.08 60.48 89.91 48.48 61.07 89.62 2 0 40.98-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~G 59 47.12 59.64 92.17 47.13 60.63 92.33 45.70 57.98 93.39 45.60 56.76 93.46 47.10 58.66 93.25 47.51 59.35 94.56 3 0 44.56-999 ?-999 ?-999 ? O4 PEG F 1 mASN~G 60 44.63 58.77 93.44 44.84 59.74 93.36 42.25 59.29 93.19 41.85 60.11 94.00 43.28 58.23 93.58 43.04 57.78 95.03 2 0 44.84-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~G 61 41.79 59.26 91.94 42.16 58.52 91.38 39.46 60.24 92.16 38.82 61.26 92.20 40.83 60.25 91.45 40.68 59.91 89.97 3 0 41.92-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 62 39.04 59.12 92.73 39.65 58.34 92.60 37.94 59.91 94.79 37.10 60.74 95.12 37.78 59.09 93.50 37.34 57.65 93.82 2 0 44.37-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~G 63 39.04 59.66 95.51 39.61 58.93 95.13 39.58 61.87 96.39 39.01 62.73 97.06 39.38 60.39 96.71 40.65 59.78 97.34 2 0 45.65-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 64 40.35 62.18 95.36 40.70 61.39 94.85 39.38 64.29 94.60 39.11 65.40 95.08 40.63 63.57 95.03 41.68 63.67 93.95 2 0 42.24-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 65 38.61 63.68 93.71 38.97 62.80 93.38 36.47 64.58 94.44 35.83 65.63 94.51 37.36 64.28 93.25 36.58 63.34 92.33 2 0 40.68-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 66 36.45 63.67 95.39 37.04 62.88 95.24 36.15 64.91 97.53 35.38 65.60 98.16 35.61 63.88 96.53 35.33 62.53 97.17 2 0 43.67-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 67 37.46 65.04 97.67 38.00 64.39 97.14 37.89 67.51 97.98 37.72 68.49 98.71 38.03 66.09 98.56 39.53 65.90 98.77 2 0 43.68-999 ?-999 ?-999 ? O4 PEG F 1 mTYR~G 68 38.04 67.61 96.67 38.21 66.74 96.20 36.55 69.25 95.47 36.38 70.31 94.88 37.96 68.88 95.98 38.92 68.86 94.79 3 0 40.01-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~G 69 35.54 68.42 95.71 35.77 67.64 96.30 33.70 70.04 95.43 33.46 70.41 96.59 34.22 68.65 95.13 33.21 67.59 95.57 3 0 40.00-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~G 70 33.52 70.82 94.38 33.81 70.42 93.51 33.91 73.25 94.87 33.49 74.39 95.05 32.94 72.15 94.52-999.99-999.99-999.99 1 0 37.94-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~G 71 35.19 72.91 94.94 35.38 71.94 94.75 36.85 74.49 94.05 36.86 73.92 92.95 36.23 73.86 95.27 37.30 73.21 96.14 2 0 37.11-999 ?-999 ?-999 ? O4 PEG F 1 mTRP^G 72 37.32 75.71 94.24 37.17 76.07 95.16 39.48 76.34 93.37 39.96 76.40 94.49 37.97 76.45 93.19 37.59 77.91 93.31 3 0 33.89-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 73 40.17 76.11 92.27 39.61 75.99 91.45 42.10 76.95 91.05 41.42 77.14 90.05 41.60 76.05 92.21 42.09 74.60 91.95 3 0 32.92-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^G 74 43.29 77.50 91.23 43.69 77.26 92.11 45.19 77.65 89.76 46.09 77.32 90.57 43.94 78.37 90.24 44.27 79.72 90.94 2 0 30.19-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 75 45.25 77.39 88.47 44.48 77.76 87.94 47.06 77.32 86.75 46.41 77.81 85.83 46.34 76.62 87.89 45.85 75.28 87.36 3 0 29.14-999 ?-999 ?-999 ? O4 PEG F 1 mARG^G 76 48.40 77.36 86.86 48.72 76.94 87.70 49.88 76.82 84.96 50.28 75.73 85.45 49.32 77.94 85.86 50.51 78.64 86.54 2 0 27.37-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^G 77 49.90 77.07 83.65 49.54 77.96 83.39 50.56 76.69 81.32 50.18 77.82 81.10 50.43 76.10 82.71-999.99-999.99-999.99 1 0 26.11-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 78 51.13 75.92 80.40 51.45 75.03 80.75 50.07 75.78 78.24 49.80 74.56 78.24 51.26 76.35 79.02 52.60 75.88 78.43 3 0 23.57-999 ?-999 ?-999 ? O4 PEG F 1 mILE^G 79 49.34 76.67 77.58 49.64 77.62 77.68 48.70 75.49 75.54 49.58 75.95 74.82 48.21 76.25 76.78 47.35 77.46 76.39 3 0 21.08-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 80 48.13 74.30 75.31 47.44 74.04 75.99 47.33 73.32 73.18 47.53 72.89 72.04 48.49 73.47 74.16 49.10 72.10 74.60 3 0 21.68-999 ?-999 ?-999 ? O4 PEG F 1 mASP^G 81 46.11 73.69 73.58 46.04 74.02 74.53 43.82 74.41 73.14 43.59 74.49 74.35 44.98 73.58 72.65 44.53 72.13 72.42 2 0 20.05-999 ?-999 ?-999 ? O4 PEG F 1 mILE^G 82 43.15 75.06 72.17 43.53 74.90 71.26 41.08 75.50 71.21 41.53 75.39 70.07 41.99 75.92 72.35 42.29 77.38 72.15 3 0 17.69-999 ?-999 ?-999 ? O4 PEG F 1 mARG^G 83 39.80 75.34 71.49 39.52 75.66 72.39 37.47 75.08 70.87 37.06 74.98 72.02 38.91 74.76 70.53 39.11 73.28 70.74 2 0 18.10-999 ?-999 ?-999 ? O4 PEG F 1 mARG^G 84 36.69 75.42 69.85 37.15 75.46 68.96 34.56 74.41 69.73 34.86 73.75 68.76 35.31 75.69 70.03 34.92 76.83 69.10 2 0 18.04-999 ?-999 ?-999 ? O2 PEG F 1 mLYS^G 85 33.58 74.06 70.54 33.39 74.71 71.29 31.36 73.06 70.32 30.84 73.93 70.99 32.85 72.83 70.34 33.23 71.75 71.39 2 0 21.28-999 ?-999 ?-999 ? O2 PEG F 1 mSER^G 86 30.69 72.30 69.45 31.28 71.74 68.88 28.58 71.76 70.61 28.93 70.68 71.07 29.23 72.27 69.35 28.80 71.29 68.27 2 0 22.89-999 ?-999 ?-999 ? O2 PEG F 1 mGLY~G 87 27.58 72.48 71.11 27.37 73.31 70.59 25.50 71.47 72.05 25.05 71.38 70.93 26.87 72.06 72.31-999.99-999.99-999.99 1 0 25.69-999 ?-999 ?-999 ? O2 PEG F 1 mILE~G 88 24.84 71.05 73.11 25.32 71.18 73.97 22.52 71.57 73.29 22.82 72.44 74.11 23.51 70.44 72.99 23.29 69.27 74.02 3 0 29.04-999 ?-999 ?-999 ? O2 PEG F 1 mALA~G 89 21.37 71.55 72.63 21.29 70.81 71.97 20.78 74.00 72.57 20.74 74.88 73.47 20.32 72.56 72.88 19.80 72.46 74.33 2 0 29.80-999 ?-999 ?-999 ? O2 PEG F 1 mGLY~G 90 21.19 74.21 71.30 21.19 73.37 70.76 22.92 76.09 71.26 23.37 77.16 70.83 21.60 75.52 70.74-999.99-999.99-999.99 1 0 26.36-999 ?-999 ?-999 ? O2 PEG F 1 mSER~G 91 23.59 75.40 72.16 23.23 74.50 72.41 26.08 75.62 71.99 26.14 74.81 71.08 24.78 75.99 72.70 24.90 75.64 74.20 2 0 24.80-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^G 92 27.12 76.30 72.43 26.89 77.05 73.04 29.31 76.32 73.28 28.90 77.12 74.14 28.47 75.99 72.05 28.90 76.74 70.78 3 0 22.16-999 ?-999 ?-999 ? O2 PEG F 1 mTYR^G 93 30.46 75.69 73.38 30.65 75.05 72.64 32.77 75.82 73.95 32.96 75.59 72.76 31.35 75.93 74.49 31.06 74.92 75.61 3 0 21.79-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^G 94 33.76 75.99 74.81 33.47 76.21 75.74 35.89 74.96 75.38 35.56 74.92 76.56 35.15 75.86 74.42 35.86 77.21 74.48 3 0 20.19-999 ?-999 ?-999 ? O4 PEG F 1 mILE^G 95 36.88 74.24 74.87 36.98 74.30 73.88 39.16 73.99 75.57 39.68 74.16 74.46 37.75 73.45 75.69 37.81 72.03 75.25 3 0 22.07-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 96 39.78 74.25 76.71 39.23 74.05 77.51 41.96 73.74 77.50 41.61 73.38 78.61 41.14 74.78 76.76 41.17 76.16 77.44 3 0 21.28-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^G 97 42.99 73.21 76.83 43.12 73.61 75.92 45.24 72.78 77.70 45.84 73.51 76.88 43.85 72.17 77.36 44.00 71.03 76.35 2 0 23.72-999 ?-999 ?-999 ? O4 PEG F 1 mMETG 98 45.77 72.40 78.87 45.27 71.65 79.30 47.96 71.98 79.90 47.57 70.97 80.48 46.96 73.03 79.46 46.46 73.83 80.71 2 0 24.84-999 ?-999 ?-999 ? O4 PEG F 1 mARG^G 99 49.25 72.21 79.65 49.45 73.06 79.17 51.09 71.87 81.19 51.12 73.10 81.38 50.27 71.27 80.07 51.21 70.91 78.91 2 0 27.31-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 100 51.79 71.01 81.92 51.71 70.05 81.65 53.70 72.33 82.42 54.31 71.99 81.39 52.61 71.47 83.02 53.24 70.32 83.79 2 0 29.88-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~G 101 53.98 73.43 83.10 53.49 73.51 83.97 56.34 73.83 82.37 57.05 74.25 81.46 54.93 74.42 82.60 54.93 75.62 83.56 2 0 28.71-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 102 56.72 72.86 83.20 56.04 72.60 83.88 57.90 70.77 82.70 58.82 70.01 82.90 58.03 72.24 83.08 58.79 72.38 84.41 2 0 31.76-999 ?-999 ?-999 ? O4 PEG F 1 mASN~G 103 56.76 70.37 82.17 56.08 71.09 82.04 56.81 67.97 82.94 57.17 66.81 82.71 56.55 68.96 81.80 57.38 68.60 80.55 2 0 32.34-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~G 104 56.56 68.40 84.18 56.21 69.34 84.24 55.83 66.33 85.25 56.06 65.30 85.86 56.81 67.53 85.34 56.76 68.31 86.67 2 0 35.57-999 ?-999 ?-999 ? O4 PEG F 1 mTHR~G 105 54.75 66.47 84.47 54.62 67.41 84.14 53.47 65.46 82.66 53.60 66.54 82.08 53.85 65.35 84.14 52.57 65.31 85.01 2 0 35.23-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 106 53.05 64.35 82.04 53.08 63.51 82.59 51.06 64.55 80.58 50.50 64.87 79.54 52.58 64.43 80.65 53.15 63.33 79.74 2 0 33.52-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~G 107 50.38 64.38 81.70 50.93 64.11 82.50 48.57 66.04 81.48 49.23 66.96 81.99 48.94 64.57 81.72 48.34 64.10 83.04 2 0 33.05-999 ?-999 ?-999 ? O4 PEG F 1 mARG~G 108 47.54 66.27 80.68 47.13 65.45 80.27 45.82 67.86 81.26 45.03 66.94 81.50 47.07 67.62 80.44 46.68 67.83 79.00 2 0 29.55-999 ?-999 ?-999 ? O4 PEG F 1 mLEU^G 109 45.63 69.11 81.67 46.40 69.71 81.44 43.56 70.34 81.40 44.08 71.17 80.65 44.42 69.56 82.40 44.83 70.50 83.53 3 0 29.00-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^G 110 42.25 70.12 81.39 41.92 69.44 82.04 40.37 71.71 81.23 39.97 71.37 82.36 41.40 70.86 80.47 40.62 69.93 79.53 2 0 26.67-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^G 111 39.95 72.81 80.61 40.40 72.99 79.74 37.79 73.77 80.21 37.99 73.84 79.00 38.93 73.66 81.18 39.47 75.06 81.42 3 0 25.36-999 ?-999 ?-999 ? O4 PEG F 1 mASN^G 112 36.58 73.85 80.75 36.55 73.82 81.75 34.76 75.34 80.09 34.08 75.58 81.05 35.40 73.98 79.92 34.42 72.87 80.25 2 0 24.95-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^G 113 34.97 76.22 79.11 35.56 75.88 78.38 33.06 77.62 78.37 32.97 77.14 77.22 34.38 77.57 79.13 35.26 78.57 78.43 3 0 22.42-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^G 114 32.05 78.25 78.99 32.27 78.58 79.91 30.81 79.58 77.38 31.75 80.41 77.46 30.75 78.42 78.36-999.99-999.99-999.99 1 0 22.93-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 115 29.80 79.66 76.49 29.10 78.95 76.61 29.89 82.10 75.96 30.52 82.93 75.31 29.73 80.67 75.44 28.41 80.56 74.65 2 0 20.42-999 ?-999 ?-999 ? O4 PEG F 1 mHIS~G 116 29.34 82.36 77.13 28.86 81.58 77.54 30.81 84.12 78.08 31.04 85.29 78.27 29.41 83.65 77.77 28.57 83.65 79.07 3 0 20.93-999 ?-999 ?-999 ? O4 PEG F 1 mASN~G 117 31.77 83.21 78.07 31.50 82.29 77.80 34.04 83.46 77.24 35.19 83.05 77.36 33.11 83.60 78.42 33.58 82.81 79.67 2 0 19.45-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 118 33.55 83.83 76.07 32.62 84.20 76.09 35.46 84.79 74.82 36.48 84.58 74.19 34.38 83.70 74.89 33.52 83.77 73.63 2 0 16.04-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 119 35.22 85.97 75.39 34.31 86.07 75.79 37.55 86.48 76.06 38.65 86.69 75.54 36.26 87.01 75.39 35.77 88.30 76.08 2 0 14.42-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 120 37.42 85.78 77.18 36.49 85.70 77.54 39.30 84.17 76.92 40.52 84.12 76.88 38.61 85.20 77.79 38.33 84.49 79.13 2 0 16.41-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 121 38.53 83.29 76.27 37.55 83.44 76.39 39.82 82.84 74.28 40.92 82.44 73.96 39.12 82.23 75.47 38.07 81.19 75.01 3 0 15.61-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~G 122 39.21 83.86 73.67 38.33 84.12 74.07 41.11 85.25 72.78 41.83 85.57 71.84 39.80 84.51 72.51 38.79 85.41 71.80 2 0 11.82-999 ?-999 ?-999 ? O4 PEG F 1 mALA~G 123 41.45 85.49 74.04 40.81 85.14 74.73 43.79 85.24 74.77 44.91 85.65 75.00 42.67 86.21 74.36 42.41 87.28 75.42 2 0 12.46-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~G 124 43.47 83.95 74.88 42.49 83.76 74.78 45.31 82.70 73.83 44.97 83.20 72.75 44.49 82.93 75.11 43.86 81.63 75.58 3 0 14.81-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 125 46.38 81.93 73.95 46.52 81.55 74.87 48.04 80.34 73.04 48.69 80.16 74.04 47.26 81.66 72.85 48.23 82.84 72.76 2 0 14.53-999 ?-999 ?-999 ? O4 PEG F 1 mASN~G 126 47.98 79.43 72.06 47.41 79.70 71.28 50.18 78.40 72.18 50.68 79.21 71.40 48.69 78.15 72.13 48.35 77.26 70.94 2 0 17.03-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~G 127 50.86 77.71 73.11 50.29 77.07 73.63 52.62 78.89 74.42 53.80 79.04 74.81 52.28 77.85 73.36-999.99-999.99-999.99 1 0 19.55-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 128 51.62 79.62 74.89 50.73 79.41 74.49 51.33 80.21 77.28 50.33 79.51 77.38 51.83 80.65 75.93 51.11 81.94 75.57 2 0 19.22-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 129 52.00 80.68 78.32 52.81 81.21 78.06 50.32 81.17 80.05 50.12 82.30 79.65 51.61 80.43 79.70 52.69 80.97 80.67 3 0 21.98-999 ?-999 ?-999 ? O4 PEG F 1 mALA^G 130 49.44 80.53 80.79 49.67 79.58 80.98 47.92 80.68 82.69 48.40 79.61 83.09 48.23 81.20 81.27 47.03 80.95 80.33 2 0 21.70-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^G 131 47.14 81.47 83.42 46.88 82.33 82.98 45.18 81.22 84.70 44.63 82.25 84.29 46.69 81.13 84.74 47.24 82.10 85.76 2 0 24.42-999 ?-999 ?-999 ? O4 PEG F 1 mILE^G 132 44.51 80.15 85.10 45.09 79.43 85.47 42.46 79.46 86.26 42.94 78.45 86.75 43.03 80.05 85.00 42.60 79.15 83.80 3 0 24.70-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 133 41.45 80.13 86.79 41.25 80.99 86.32 39.54 78.83 87.47 38.87 79.20 86.52 40.71 79.67 87.95 40.17 80.85 88.76 3 0 27.56-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^G 134 39.30 77.69 88.10 39.95 77.46 88.81 37.63 76.11 88.93 38.34 75.98 89.95 38.15 76.87 87.73-999.99-999.99-999.99 1 0 28.85-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^G 135 36.42 75.59 88.80 35.97 75.78 87.92 35.81 73.33 89.53 35.58 72.91 88.39 35.81 74.83 89.85 34.40 75.33 90.03 2 0 32.06-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 136 36.06 72.51 90.54 36.25 72.97 91.40 34.66 70.48 90.55 34.02 70.74 91.57 36.06 71.05 90.35 36.96 70.36 91.40 3 0 34.46-999 ?-999 ?-999 ? O4 PEG F 1 mHIS~G 137 34.18 69.73 89.57 34.79 69.68 88.77 33.22 67.56 89.67 34.38 67.14 89.54 32.90 69.04 89.65 32.01 69.40 88.46 3 0 35.79-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 138 32.19 66.75 89.81 31.30 67.20 89.81 33.08 64.75 88.73 32.66 64.95 87.62 32.37 65.31 89.93 31.01 64.63 90.12 2 0 38.50-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 139 34.18 64.06 88.96 34.43 64.02 89.93 34.48 61.98 87.71 34.62 61.15 88.60 34.96 63.42 87.92 36.41 63.40 88.33 3 0 37.86-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~G 140 33.85 61.69 86.57 33.70 62.48 85.97 33.92 59.93 84.86 34.18 60.78 84.04 33.43 60.30 86.26 31.91 60.09 86.34 2 0 39.46-999 ?-999 ?-999 ? O4 PEG F 1 mASP~G 141 34.05 58.64 84.60 33.84 58.04 85.38 35.79 58.79 82.84 36.09 58.84 81.69 34.46 58.17 83.28 33.34 58.42 82.26 2 0 39.29-999 ?-999 ?-999 ? O4 PEG F 1 mSER~G 142 36.59 59.20 83.81 36.21 59.06 84.73 38.62 59.81 84.89 38.01 59.56 85.94 37.88 59.80 83.57 37.73 61.22 83.03 2 0 37.57-999 ?-999 ?-999 ? O4 PEG F 1 mTHR~G 143 39.92 60.09 84.83 40.27 60.24 83.91 41.27 61.58 86.21 41.83 61.88 87.25 40.75 60.18 86.01 41.95 59.27 85.92 2 0 38.46-999 ?-999 ?-999 ? O4 PEG F 1 mILE~G 144 41.08 62.45 85.24 40.59 62.06 84.46 40.31 64.70 85.18 39.48 64.46 84.33 41.52 63.84 85.29 42.42 64.13 84.09 3 0 35.13-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~G 145 40.20 65.73 86.01 40.95 65.86 86.66 39.11 67.61 84.84 40.20 68.03 84.45 39.04 66.56 85.95 39.06 67.28 87.30 3 0 33.67-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^G 146 37.94 67.96 84.30 37.16 67.39 84.55 37.23 70.15 84.33 36.12 69.98 84.88 37.83 69.09 83.41 36.92 68.80 82.22 2 0 30.26-999 ?-999 ?-999 ? O4 PEG F 1 mLEU^G 147 37.95 71.23 84.54 38.81 71.25 84.02 36.39 73.10 84.81 36.38 73.26 83.60 37.51 72.29 85.46 38.70 73.16 85.88 3 0 29.64-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^G 148 35.45 73.57 85.62 35.67 73.45 86.59 34.11 75.66 85.58 34.82 76.09 86.45 34.23 74.21 85.14 33.01 73.43 85.67 2 0 28.95-999 ?-999 ?-999 ? O4 PEG F 1 mASN^G 149 33.16 76.38 84.99 32.61 75.83 84.36 34.26 78.54 85.44 34.48 79.21 86.44 32.93 77.81 85.24 31.94 78.07 86.39 2 0 27.53-999 ?-999 ?-999 ? O4 PEG F 1 mPRO^G 150 35.15 78.45 84.43 34.87 77.95 83.61 36.58 80.55 84.34 35.72 81.15 83.74 36.44 79.07 84.62 37.33 78.29 83.66 3 0 25.44-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^G 151 37.71 81.10 84.76 38.32 80.46 85.22 39.56 82.63 84.39 40.35 82.11 85.20 38.02 82.50 84.57 37.54 83.29 85.79 2 0 23.68-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^G 152 39.97 83.27 83.29 39.24 83.58 82.69 41.87 84.62 83.91 41.26 85.67 83.93 41.39 83.49 83.02 41.65 83.82 81.53 3 0 21.53-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~G 153 42.93 84.39 84.67 43.31 83.47 84.57 44.43 86.26 84.75 45.49 85.80 84.35 43.48 85.40 85.56 44.18 84.76 86.73 3 0 23.45-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~G 154 44.00 87.50 84.50 43.14 87.68 84.97 45.08 89.76 84.43 44.19 90.43 84.99 44.67 88.50 83.63 43.66 89.03 82.57 2 0 21.12-999 ?-999 ?-999 ? O4 PEG F 1 mPRO~H 37 30.52 38.03 103.98 29.62 38.38 103.71 32.46 38.29 105.55 33.10 39.34 105.35 31.84 37.52 104.38 32.67 37.67 103.10 3 0 68.38-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~H 38 32.26 37.76 106.76 31.74 36.91 106.75 34.26 38.32 108.18 34.93 37.42 107.66 32.75 38.39 107.99-999.99-999.99-999.99 1 0 69.85-999 ?-999 ?-999 ? O4 PEG F 1 mASP~H 39 34.78 39.27 108.97 34.08 39.89 109.33 36.97 38.12 109.72 38.11 37.90 109.29 36.23 39.42 109.28 36.44 40.52 110.34 2 0 69.55-999 ?-999 ?-999 ? O4 PEG F 1 mASP~H 40 36.35 37.29 110.56 35.45 37.60 110.86 37.15 35.09 109.77 38.15 34.38 109.65 36.98 36.01 110.97 36.18 35.26 112.06 2 0 73.15-999 ?-999 ?-999 ? O4 PEG F 1 mALA~H 41 36.14 35.09 108.90 35.38 35.69 109.15 37.24 34.76 106.71 37.84 33.96 106.01 36.17 34.27 107.69 34.80 34.28 107.00 2 0 72.44-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~H 42 37.46 36.08 106.68 36.89 36.59 107.32 39.86 36.33 106.18 40.64 35.83 105.36 38.44 36.72 105.78 38.26 38.28 105.73 3 0 69.19-999 ?-999 ?-999 ? O4 PEG F 1 mALA~H 43 40.18 36.54 107.45 39.46 36.96 108.00 41.86 34.73 107.56 42.99 34.47 107.19 41.50 36.16 107.98 41.53 36.30 109.49 2 0 70.91-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 44 40.87 33.84 107.56 39.98 34.24 107.78 41.31 32.02 105.81 41.79 30.92 105.52 41.07 32.42 107.27 39.87 31.63 107.80 2 0 73.40-999 ?-999 ?-999 ? O4 PEG F 1 mMETH 45 41.00 32.91 104.88 40.64 33.77 105.24 42.67 32.78 103.07 43.40 33.62 103.61 41.19 32.62 103.47 40.33 33.58 102.63 2 0 71.00-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~H 46 43.12 31.93 102.15 42.47 31.23 101.86 44.49 33.34 100.79 43.46 33.78 100.32 44.48 32.05 101.63 44.90 30.84 100.75 2 0 70.47-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^H 47 45.65 33.95 100.64 46.42 33.54 101.13 46.40 34.71 98.47 47.51 34.22 98.42 45.77 35.13 99.81 46.59 36.22 100.51 2 0 66.96-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^H 48 45.65 34.88 97.38 44.72 35.20 97.56 46.91 35.86 95.58 46.63 36.98 96.01 46.16 34.61 96.05 45.03 34.46 95.04 3 0 65.42-999 ?-999 ?-999 ? O4 PEG F 1 mSER^H 49 47.87 35.65 94.69 48.13 34.70 94.57 47.59 36.79 92.67 46.84 35.86 92.38 48.46 36.74 93.96 49.90 36.43 93.58 2 0 62.72-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~H 50 47.70 37.86 91.89 48.32 38.57 92.23 47.38 36.83 89.71 46.52 36.17 89.12 46.98 37.97 90.64 47.21 39.38 89.99 3 0 59.92-999 ?-999 ?-999 ? O4 PEG F 1 mALA~H 51 48.67 36.55 89.59 49.27 37.14 90.12 48.49 34.13 89.18 48.03 33.36 88.35 49.12 35.45 88.74 50.64 35.35 88.74 2 0 61.53-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~H 52 48.46 33.87 90.49 48.86 34.59 91.05 46.41 32.45 90.66 45.98 31.43 90.17 47.87 32.60 91.00 48.00 32.46 92.53 2 0 64.93-999 ?-999 ?-999 ? O4 PEG F 1 mPHE~H 53 45.64 33.47 90.96 46.13 34.25 91.36 43.87 33.31 89.23 42.99 32.55 88.86 44.21 33.43 90.71 43.55 34.68 91.32 3 0 63.84-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~H 54 44.59 34.02 88.38 45.32 34.56 88.80 44.81 32.80 86.19 44.39 32.60 85.04 44.31 34.01 86.95 44.89 35.28 86.31 3 0 61.66-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~H 55 45.69 32.03 86.78 45.91 32.29 87.72 45.24 29.93 85.47 45.34 29.57 84.30 46.29 30.88 86.08 47.28 30.14 87.02 2 0 61.93-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~H 56 44.25 29.51 86.26 44.22 29.86 87.20 42.51 29.23 84.54 42.13 28.53 83.59 43.29 28.58 85.67 42.37 28.18 86.83 3 0 62.33-999 ?-999 ?-999 ? C3 PEG J 2 mPHE~H 57 42.26 30.54 84.63 42.59 30.97 85.47 42.35 31.38 82.29 41.79 31.55 81.23 41.55 31.26 83.58 41.15 32.64 84.05 3 0 59.52-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~H 58 43.67 31.29 82.40 43.99 31.20 83.34 44.51 29.96 80.57 44.67 29.87 79.36 44.55 31.33 81.26 46.01 31.71 81.74 2 0 57.22-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~H 59 44.32 28.89 81.34 44.29 29.09 82.32 42.80 27.33 80.11 42.72 26.91 78.97 44.19 27.54 80.76 44.46 26.44 81.81 3 0 58.20-999 ?-999 ?-999 ? C3 PEG J 2 mASN~H 60 41.74 27.59 80.86 41.96 27.89 81.79 39.45 28.35 81.20 39.04 28.00 82.29 40.37 27.45 80.38 39.90 26.00 80.39 2 0 58.05-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~H 61 39.12 29.54 80.67 39.50 29.73 79.77 36.82 30.00 81.54 36.12 30.47 82.41 38.27 30.45 81.43 38.39 31.76 80.67 3 0 58.06-999 ?-999 ?-999 ? C3 PEG J 2 mALA~H 62 36.38 29.08 80.68 37.02 28.81 79.97 34.97 27.59 82.05 34.07 27.68 82.87 35.02 28.56 80.84 34.55 27.87 79.54 2 0 58.68-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~H 63 35.93 26.67 82.13 36.56 26.69 81.35 36.29 26.46 84.56 35.61 26.20 85.57 36.05 25.73 83.23 37.19 24.73 82.92 2 0 61.81-999 ?-999 ?-999 ? C3 PEG J 2 mALA~H 64 37.25 27.38 84.57 37.69 27.52 83.68 36.42 28.92 86.30 36.13 28.89 87.48 37.60 28.13 85.78 38.81 29.04 85.53 2 0 63.00-999 ?-999 ?-999 ? C3 PEG J 2 mSER~H 65 35.71 29.60 85.40 36.04 29.51 84.46 33.46 29.52 86.39 32.81 29.88 87.37 34.54 30.39 85.77 34.00 31.13 84.55 2 0 62.63-999 ?-999 ?-999 ? C3 PEG J 2 mSER~H 66 33.25 28.36 85.79 33.82 28.20 84.98 32.71 26.88 87.66 31.90 26.81 88.57 32.28 27.43 86.29 32.09 26.32 85.26 2 0 64.55-999 ?-999 ?-999 ? C3 PEG J 2 mASP~H 67 33.99 26.54 87.82 34.55 26.66 87.00 34.43 27.06 90.23 34.11 26.72 91.36 34.50 26.02 89.11 35.97 25.56 89.02 2 0 67.26-999 ?-999 ?-999 ? C3 PEG J 2 mTYR~H 68 34.73 28.31 89.92 34.95 28.43 88.96 33.42 30.14 91.07 33.32 31.03 91.92 34.75 29.40 90.92 35.81 30.45 90.55 3 0 67.71-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~H 69 32.42 29.78 90.27 32.59 28.97 89.71 30.61 30.68 91.68 30.43 29.68 92.37 31.17 30.55 90.27 30.10 29.93 89.33 3 0 66.93-999 ?-999 ?-999 ? O2 PEG F 1 mGLY~H 70 30.36 31.92 92.08 30.60 32.62 91.40 30.78 32.19 94.55 30.42 32.48 95.68 29.80 32.24 93.39-999.99-999.99-999.99 1 0 67.19-999 ?-999 ?-999 ? O2 PEG F 1 mLYS~H 71 32.03 31.83 94.29 32.23 31.61 93.33 33.71 33.08 95.55 33.76 33.93 94.67 32.99 31.76 95.37 33.97 30.60 95.18 2 0 68.05-999 ?-999 ?-999 ? O4 PEG F 1 mTRP^H 72 34.25 33.23 96.74 34.13 32.43 97.33 36.43 34.11 97.17 36.85 33.00 97.50 34.95 34.40 97.17 34.52 34.74 98.60 3 0 66.45-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 73 37.22 35.12 96.80 36.72 35.94 96.54 39.25 36.30 97.32 38.64 37.38 97.19 38.67 35.01 96.77 39.18 34.73 95.37 3 0 65.42-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^H 74 40.39 36.18 97.96 40.72 35.23 97.98 42.42 37.32 97.81 43.28 36.40 97.93 41.11 37.27 98.59 41.32 36.99 100.09 2 0 64.41-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 75 42.54 38.37 97.00 41.77 39.01 97.04 44.46 39.82 96.51 43.87 40.87 96.78 43.66 38.57 96.12 43.17 38.76 94.67 3 0 61.98-999 ?-999 ?-999 ? O4 PEG F 1 mARG^H 76 45.78 39.70 96.50 46.10 38.78 96.27 47.55 41.22 95.61 48.11 40.38 94.91 46.68 40.80 96.81 47.56 40.41 97.97 2 0 60.65-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^H 77 47.67 42.52 95.40 47.14 43.07 96.04 48.64 44.58 94.32 48.10 45.25 95.19 48.52 43.07 94.31-999.99-999.99-999.99 1 0 57.56-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 78 49.34 45.13 93.32 49.70 44.49 92.65 48.42 47.19 92.48 48.16 46.79 91.35 49.56 46.57 93.26 50.88 46.94 92.57 3 0 54.22-999 ?-999 ?-999 ? O4 PEG F 1 mILE^H 79 47.75 48.17 93.09 48.07 48.38 94.01 47.26 49.73 91.35 48.21 50.47 91.64 46.65 48.85 92.43 45.84 49.69 93.44 3 0 51.56-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 80 46.73 49.64 90.12 45.98 48.99 90.03 46.25 51.47 88.48 46.64 52.46 87.87 47.25 50.46 89.01 47.83 49.63 87.83 3 0 48.39-999 ?-999 ?-999 ? O4 PEG F 1 mASP^H 81 44.96 51.21 88.68 44.75 50.33 89.09 42.76 52.16 89.23 42.37 51.10 89.68 43.96 52.20 88.30 43.47 51.95 86.89 2 0 46.31-999 ?-999 ?-999 ? O4 PEG F 1 mILE^H 82 42.20 53.34 89.48 42.68 54.10 89.04 40.19 54.55 89.53 40.72 55.54 89.05 41.01 53.55 90.30 41.30 54.15 91.68 3 0 46.33-999 ?-999 ?-999 ? O4 PEG F 1 mARG^H 83 38.90 54.34 89.44 38.52 53.61 90.00 36.64 55.11 88.89 36.09 54.06 89.10 38.12 55.15 88.56 38.32 54.51 87.21 2 0 44.18-999 ?-999 ?-999 ? O4 PEG F 1 mARG^H 84 36.02 56.27 88.94 36.61 57.07 88.83 33.96 56.34 87.77 34.43 57.00 86.84 34.60 56.35 89.15 34.25 57.61 89.94 2 0 44.04-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^H 85 32.88 55.58 87.65 32.60 55.16 88.52 30.70 55.69 86.53 30.13 55.48 87.59 32.18 55.37 86.38 32.39 53.90 85.91 2 0 43.72-999 ?-999 ?-999 ? O4 PEG F 1 mSER^H 86 30.11 56.25 85.47 30.75 56.47 84.74 27.92 55.20 85.29 28.33 54.32 84.54 28.66 56.50 85.41 28.30 57.29 84.18 2 0 43.25-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~H 87 26.80 55.11 85.99 26.60 55.93 86.53 24.63 54.16 85.28 24.38 55.28 84.78 25.94 53.91 85.97-999.99-999.99-999.99 1 0 46.49-999 ?-999 ?-999 ? O4 PEG F 1 mILE~H 88 23.82 53.11 85.21 24.21 52.26 85.56 21.54 53.36 85.87 21.90 53.06 87.02 22.47 53.21 84.67 22.01 51.92 83.88 3 0 47.68-999 ?-999 ?-999 ? O2 PEG F 1 mALA~H 89 20.32 53.81 85.59 20.17 54.02 84.63 19.82 54.80 87.83 19.76 54.34 88.98 19.30 53.96 86.64 18.79 52.58 87.11 2 0 49.48-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~H 90 20.33 56.01 87.50 20.36 56.15 86.51 21.96 56.65 89.38 22.11 57.23 90.46 20.80 57.02 88.46-999.99-999.99-999.99 1 0 47.50-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 91 22.80 55.71 88.98 22.64 55.36 88.06 25.24 55.51 89.29 25.40 55.95 88.15 23.87 55.26 89.85 23.72 53.76 90.08 2 0 48.27-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^H 92 26.25 55.22 90.10 25.97 54.97 91.03 28.30 54.11 90.37 27.72 53.54 91.32 27.62 55.27 89.67 28.28 56.63 89.99 3 0 46.86-999 ?-999 ?-999 ? O4 PEG F 1 mTYR^H 93 29.50 53.75 89.92 29.85 54.31 89.17 31.73 52.86 90.31 32.11 53.82 89.68 30.23 52.63 90.50 29.76 51.31 89.86 3 0 48.66-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^H 94 32.58 52.03 90.89 32.16 51.30 91.44 34.63 50.94 90.13 34.15 49.87 90.39 34.01 52.19 90.70 34.71 52.49 92.00 3 0 48.33-999 ?-999 ?-999 ? O4 PEG F 1 mILE^H 95 35.67 51.10 89.31 35.85 52.06 89.09 37.86 50.18 89.36 38.49 51.23 89.18 36.46 50.00 88.79 36.56 49.99 87.27 3 0 48.72-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 96 38.35 49.15 90.04 37.72 48.38 90.13 40.45 48.06 89.91 40.02 46.92 89.94 39.67 49.16 90.60 39.64 48.94 92.14 3 0 50.14-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^H 97 41.60 48.41 89.31 41.81 49.38 89.42 43.76 47.19 89.36 44.37 48.10 89.93 42.46 47.47 88.57 42.79 48.04 87.18 2 0 50.42-999 ?-999 ?-999 ? O4 PEG F 1 mMETH 98 44.19 45.93 89.33 43.65 45.35 88.72 46.25 44.64 89.22 45.78 43.89 88.35 45.32 45.44 90.11 44.74 44.53 91.20 2 0 53.05-999 ?-999 ?-999 ? O4 PEG F 1 mARG^H 99 47.56 44.77 89.41 47.81 45.47 90.09 49.20 43.04 89.65 49.22 43.34 90.85 48.52 43.94 88.66 49.60 44.75 87.92 2 0 53.91-999 ?-999 ?-999 ? O4 PEG F 1 mASP~H 100 49.76 41.94 89.14 49.60 41.81 88.16 51.67 41.83 90.63 52.35 42.61 89.99 50.53 41.03 89.97 51.13 39.88 89.17 2 0 57.33-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~H 101 51.88 41.61 91.91 51.29 40.90 92.30 54.31 42.10 92.16 55.18 42.95 92.30 52.90 42.33 92.66 52.80 41.92 94.11 2 0 57.94-999 ?-999 ?-999 ? O4 PEG F 1 mGLN~H 102 54.54 40.94 91.57 53.75 40.33 91.52 55.84 40.46 89.54 56.78 39.91 88.99 55.84 40.62 91.03 56.34 39.34 91.67 2 0 59.19-999 ?-999 ?-999 ? O4 PEG F 1 mASN~H 103 54.77 40.90 88.89 54.07 41.30 89.48 54.81 39.40 86.92 55.35 39.21 85.85 54.64 40.81 87.44 55.64 41.75 86.73 2 0 57.12-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~H 104 54.36 38.40 87.68 54.01 38.66 88.57 53.43 36.83 85.99 53.49 35.86 85.28 54.42 37.02 87.17 54.25 35.97 88.29 2 0 60.31-999 ?-999 ?-999 ? O4 PEG F 1 mTHR~H 105 52.53 37.79 85.79 52.56 38.50 86.49 51.38 39.26 84.31 51.52 40.13 85.18 51.60 37.80 84.64 50.21 37.16 84.94 2 0 58.03-999 ?-999 ?-999 ? C3 PEG F 1 mASP~H 106 51.06 39.56 83.05 51.01 38.76 82.44 49.31 41.26 82.59 48.90 42.40 82.31 50.81 40.96 82.66 51.57 41.34 81.38 2 0 54.25-999 ?-999 ?-999 ? C3 PEG F 1 mLYS~H 107 48.50 40.25 82.90 48.97 39.39 83.09 46.68 41.11 84.22 47.30 40.90 85.25 47.06 40.41 82.93 46.36 39.06 82.81 2 0 54.39-999 ?-999 ?-999 ? O2 PEG F 1 mARG~H 108 45.68 41.99 84.14 45.29 42.10 83.22 43.86 42.18 85.77 43.06 41.70 84.95 45.22 42.72 85.31 45.12 44.23 85.06 2 0 53.19-999 ?-999 ?-999 ? O4 PEG F 1 mLEU^H 109 43.61 42.28 87.07 44.37 42.67 87.60 41.60 43.12 88.00 42.17 44.07 88.52 42.37 41.85 87.69 42.65 41.12 88.99 3 0 54.92-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^H 110 40.31 43.16 87.68 39.94 42.34 87.25 38.51 43.97 89.04 38.15 42.82 89.18 39.52 44.33 87.97 38.78 44.84 86.73 2 0 52.92-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^H 111 38.09 44.97 89.81 38.54 45.84 89.59 36.04 45.91 90.62 36.35 47.04 90.24 37.10 44.85 90.88 37.72 45.15 92.24 3 0 54.09-999 ?-999 ?-999 ? O4 PEG F 1 mASN^H 112 34.79 45.55 90.84 34.67 44.61 91.17 33.05 46.80 91.95 32.31 46.01 92.50 33.70 46.46 90.63 32.69 45.80 89.68 2 0 53.04-999 ?-999 ?-999 ? O4 PEG F 1 mPHE^H 113 33.32 48.00 92.46 33.97 48.53 91.92 31.44 49.28 93.46 31.43 50.13 92.58 32.70 48.45 93.70 33.66 49.34 94.45 3 0 53.28-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^H 114 30.40 49.08 94.24 30.53 48.33 94.90 29.36 51.18 94.92 30.27 51.29 95.75 29.19 49.89 94.13-999.99-999.99-999.99 1 0 53.15-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 115 28.48 52.15 94.70 27.77 51.90 94.04 28.55 53.30 96.89 29.14 54.11 97.60 28.58 53.44 95.37 27.45 54.36 94.94 2 0 51.40-999 ?-999 ?-999 ? O4 PEG F 1 mHIS~H 116 27.88 52.26 97.36 27.44 51.69 96.66 29.16 51.69 99.41 29.32 51.82 100.62 27.79 51.98 98.79 26.81 50.83 99.10 3 0 54.86-999 ?-999 ?-999 ? O4 PEG F 1 mASN~H 117 30.16 51.36 98.61 29.97 51.35 97.63 32.53 51.99 98.75 33.68 51.60 98.54 31.44 51.03 99.20 31.79 49.55 98.98 2 0 54.98-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 118 32.19 53.26 98.65 31.24 53.45 98.91 34.20 54.62 99.27 35.22 55.21 98.95 33.15 54.27 98.21 32.42 55.53 97.76 2 0 51.68-999 ?-999 ?-999 ? O4 PEG F 1 mALA~H 119 33.94 54.27 100.51 33.05 53.84 100.66 36.12 53.65 101.30 37.26 54.08 101.46 34.91 54.53 101.57 34.29 54.22 102.96 2 0 53.60-999 ?-999 ?-999 ? O4 PEG F 1 mASP~H 120 35.88 52.42 100.88 34.91 52.19 100.80 37.77 51.97 99.35 38.99 51.89 99.36 36.97 51.51 100.56 36.48 50.08 100.29 2 0 54.75-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~H 121 37.10 52.47 98.32 36.11 52.53 98.46 38.62 54.12 97.39 39.76 54.22 96.96 37.79 52.89 97.10 36.80 53.10 95.94 3 0 51.32-999 ?-999 ?-999 ? O4 PEG F 1 mGLU~H 122 38.05 55.03 98.17 37.12 54.80 98.45 39.99 56.04 99.44 40.81 56.93 99.56 38.75 56.24 98.56 37.77 57.23 99.18 2 0 49.85-999 ?-999 ?-999 ? O4 PEG F 1 mALA~H 123 40.13 54.86 100.02 39.39 54.22 99.82 42.41 53.93 100.08 43.52 53.84 100.56 41.28 54.54 100.89 40.86 53.57 102.06 2 0 52.61-999 ?-999 ?-999 ? O4 PEG F 1 mLEU~H 124 42.14 53.49 98.86 41.19 53.60 98.56 44.14 53.97 97.45 43.94 55.19 97.63 43.20 52.91 98.05 42.60 52.05 96.93 3 0 51.77-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 125 45.17 53.50 96.75 45.20 52.50 96.65 46.95 53.76 95.00 47.61 52.74 95.15 46.15 54.39 96.18 47.06 54.87 97.32 2 0 49.56-999 ?-999 ?-999 ? O4 PEG F 1 mASN~H 126 46.88 54.36 93.82 46.28 55.17 93.79 49.11 53.77 93.06 49.68 54.74 93.55 47.64 53.84 92.69 47.50 54.70 91.43 2 0 47.86-999 ?-999 ?-999 ? O4 PEG F 1 mGLY~H 127 49.70 52.60 92.84 49.10 51.90 92.45 51.35 51.65 94.44 52.47 51.37 94.77 51.10 52.40 93.15-999.99-999.99-999.99 1 0 49.77-999 ?-999 ?-999 ? O4 PEG F 1 mSER~H 128 50.29 51.35 95.17 49.42 51.64 94.76 49.67 49.30 96.41 48.68 49.09 95.74 50.37 50.65 96.43 49.74 51.50 97.54 2 0 53.03-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 129 50.22 48.41 97.20 51.03 48.75 97.68 48.42 47.15 98.20 48.32 47.97 99.10 49.70 47.08 97.36 50.79 46.24 98.08 3 0 56.25-999 ?-999 ?-999 ? O4 PEG F 1 mALA^H 130 47.43 46.33 97.88 47.59 45.80 97.04 45.78 44.77 98.53 46.17 44.07 97.58 46.23 46.21 98.68 45.15 47.15 98.18 2 0 57.39-999 ?-999 ?-999 ? O4 PEG F 1 mTHR^H 131 44.96 44.32 99.48 44.76 45.01 100.18 42.92 43.19 99.41 42.38 44.00 100.16 44.42 42.97 99.50 44.81 42.25 100.81 2 0 60.34-999 ?-999 ?-999 ? O4 PEG F 1 mILE^H 132 42.25 42.54 98.46 42.80 41.92 97.90 40.12 41.42 98.16 40.58 40.56 97.43 40.83 42.75 98.30 40.52 43.57 97.04 3 0 59.76-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 133 39.01 41.27 98.89 38.83 42.03 99.51 37.01 40.42 97.82 36.48 41.53 97.83 38.15 40.10 98.81 37.55 39.75 100.15 3 0 62.32-999 ?-999 ?-999 ? O4 PEG F 1 mGLY^H 134 36.67 39.46 96.96 37.19 38.61 97.07 35.03 38.31 95.53 35.61 37.24 95.76 35.65 39.64 95.95-999.99-999.99-999.99 1 0 61.32-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^H 135 33.87 38.39 94.89 33.56 39.32 94.70 33.14 37.02 93.01 33.06 37.99 92.27 33.13 37.21 94.51 31.69 37.34 95.00 2 0 62.93-999 ?-999 ?-999 ? O4 PEG F 1 mVAL~H 136 33.22 35.78 92.56 33.22 35.07 93.26 31.88 35.29 90.64 31.15 34.42 91.14 33.28 35.51 91.14 34.14 34.26 90.83 3 0 62.75-999 ?-999 ?-999 ? O2 PEG F 1 mHIS~H 137 31.48 36.12 89.68 32.15 36.83 89.45 30.48 35.43 87.65 31.64 35.22 87.33 30.18 36.00 89.02 29.52 37.37 88.96 3 0 61.77-999 ?-999 ?-999 ? O2 PEG F 1 mGLN~H 138 29.47 35.17 86.83 28.57 35.41 87.19 30.67 35.43 84.66 30.52 36.64 84.57 29.71 34.57 85.51 28.39 34.35 84.78 2 0 61.53-999 ?-999 ?-999 ? O2 PEG F 1 mVAL~H 139 31.68 34.78 84.08 31.72 33.81 84.31 32.24 35.27 81.72 32.28 34.15 81.22 32.64 35.46 83.19 34.05 34.90 83.42 3 0 59.04-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~H 140 31.86 36.35 81.05 31.85 37.19 81.59 32.11 37.47 78.83 32.43 38.53 79.36 31.49 36.31 79.64 29.96 36.34 79.49 2 0 55.74-999 ?-999 ?-999 ? C3 PEG J 2 mASP~H 141 32.27 37.26 77.53 31.98 36.36 77.22 34.16 38.74 77.22 34.53 39.89 77.08 32.84 38.28 76.66 31.88 39.45 76.56 2 0 52.12-999 ?-999 ?-999 ? C3 PEG J 2 mSER~H 142 34.87 37.82 77.85 34.43 36.92 77.87 36.75 36.79 78.92 36.05 35.79 79.02 36.15 38.10 78.47 35.94 38.97 79.69 2 0 53.23-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~H 143 38.04 36.77 79.17 38.51 37.63 78.96 39.14 35.85 81.14 39.72 34.97 81.78 38.68 35.58 79.72 39.92 35.16 78.93 2 0 54.74-999 ?-999 ?-999 ? C3 PEG J 2 mILE~H 144 38.89 37.06 81.65 38.42 37.67 81.01 38.08 37.93 83.78 37.32 38.78 83.29 39.28 37.43 83.01 40.31 38.56 83.00 3 0 56.83-999 ?-999 ?-999 ? O2 PEG F 1 mPRO~H 145 37.90 37.44 85.00 38.56 36.78 85.34 36.94 39.33 86.26 38.09 39.79 86.36 36.74 37.93 85.72 36.60 36.95 86.89 3 0 57.70-999 ?-999 ?-999 ? O2 PEG F 1 mTHR^H 146 35.83 40.00 86.55 35.00 39.55 86.23 35.15 40.87 88.53 33.99 40.42 88.54 35.83 41.28 87.25 35.00 42.35 86.53 2 0 55.57-999 ?-999 ?-999 ? O2 PEG F 1 mLEU^H 147 35.87 40.97 89.62 36.78 41.37 89.50 34.25 41.46 91.39 34.35 42.67 91.19 35.33 40.51 90.88 36.46 40.28 91.87 3 0 58.01-999 ?-999 ?-999 ? O4 PEG F 1 mGLN^H 148 33.20 40.90 92.00 33.27 39.91 92.10 31.89 41.74 94.00 32.49 40.96 94.71 32.05 41.66 92.48 30.79 41.02 91.91 2 0 58.30-999 ?-999 ?-999 ? O4 PEG F 1 mASN^H 149 31.00 42.65 94.44 30.52 43.11 93.70 32.01 42.85 96.70 32.08 42.13 97.69 30.73 42.95 95.87 29.60 42.11 96.48 2 0 59.29-999 ?-999 ?-999 ? O4 PEG F 1 mPRO^H 150 33.04 43.61 96.31 32.87 44.20 95.52 34.47 44.30 98.33 33.69 45.20 98.65 34.31 43.55 97.03 35.32 44.09 96.01 3 0 58.88-999 ?-999 ?-999 ? O4 PEG F 1 mLYS^H 151 35.49 43.92 99.08 36.02 43.16 98.69 37.32 44.63 100.45 37.99 43.63 100.18 35.81 44.57 100.36 35.22 43.83 101.58 2 0 59.91-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 152 37.83 45.82 100.78 37.17 46.56 100.87 39.58 45.48 102.37 38.93 45.83 103.33 39.25 46.01 100.98 39.67 47.48 100.87 3 0 58.94-999 ?-999 ?-999 ? O4 PEG F 1 mVAL^H 153 40.58 44.60 102.45 40.95 44.34 101.56 42.27 44.92 104.08 43.19 45.03 103.28 41.06 44.07 103.71 41.47 42.61 103.58 3 0 62.13-999 ?-999 ?-999 ? O4 PEG F 1 mLYS~H 154 42.28 45.52 105.27 41.50 45.28 105.85 43.84 46.34 107.13 43.16 46.84 108.04 43.37 46.47 105.68 42.95 47.93 105.37 2 0 61.70-999 ?-999 ?-999 ? O4 PEG F 1 mASP~I 39 29.98 8.64 66.24 29.47 9.36 65.79 31.58 6.74 65.90 32.75 7.04 65.66 30.76 7.55 66.93 29.84 6.65 67.78 2 0 60.33-999 ?-999 ?-999 ? C2 PEG J 2 mALA~I 41 31.14 6.70 62.67 30.39 6.80 63.32 32.46 8.57 61.62 33.12 8.93 60.63 31.32 7.54 61.48 30.00 8.25 61.14 2 0 56.74-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~I 42 32.67 9.07 62.85 32.04 8.72 63.54 35.11 9.40 63.03 36.05 10.01 62.53 33.73 10.03 63.13 33.55 10.65 64.54 3 0 55.48-999 ?-999 ?-999 ? C2 PEG J 2 mALA~I 43 35.22 8.16 63.52 34.38 7.80 63.90 36.98 7.15 62.06 38.19 7.20 61.79 36.49 7.43 63.49 36.34 6.10 64.26 2 0 57.27-999 ?-999 ?-999 ? C3 PEG J 2 mSER~I 44 36.05 6.86 61.15 35.12 6.89 61.50 36.74 7.80 58.96 37.39 7.72 57.91 36.40 6.54 59.76 35.23 5.83 59.07 2 0 55.69-999 ?-999 ?-999 ? C2 PEG J 2 mMETI 45 36.28 8.93 59.47 35.77 8.77 60.31 37.96 10.62 58.86 38.69 10.35 59.83 36.47 10.26 58.89 35.71 11.24 59.80 2 0 52.23-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~I 46 38.41 11.20 57.74 37.71 11.30 57.03 40.01 12.87 58.45 39.06 13.58 58.71 39.81 11.64 57.57 40.15 11.96 56.09 2 0 49.94-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^I 47 41.24 13.11 58.91 41.92 12.45 58.59 42.40 15.31 59.09 43.51 15.07 58.68 41.57 14.23 59.80 42.40 13.75 61.03 2 0 49.18-999 ?-999 ?-999 ? C3 PEG J 2 mTYR^I 48 41.85 16.51 58.95 40.92 16.56 59.32 43.40 18.34 59.37 43.01 18.39 60.53 42.55 17.63 58.32 41.56 18.73 57.87 3 0 45.61-999 ?-999 ?-999 ? C3 PEG J 2 mSER^I 49 44.52 18.91 58.96 44.82 18.65 58.04 44.51 21.18 59.59 43.65 21.27 58.72 45.24 19.84 59.83 46.71 19.97 59.44 2 0 45.01-999 ?-999 ?-999 ? C3 PEG J 2 mVAL~I 50 44.83 22.22 60.35 45.52 22.04 61.05 44.66 24.05 58.79 43.88 24.53 57.99 44.19 23.50 60.14 44.53 24.49 61.27 3 0 42.77-999 ?-999 ?-999 ? C3 PEG J 2 mALA~I 51 45.95 23.93 58.52 46.50 23.52 59.24 45.70 23.73 56.12 45.17 24.41 55.25 46.48 24.41 57.24 47.94 24.12 57.11 2 0 40.03-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~I 52 45.62 22.41 56.15 46.06 21.98 56.94 43.50 22.15 54.91 43.08 22.40 53.80 44.92 21.67 55.09 44.90 20.15 55.36 2 0 40.39-999 ?-999 ?-999 ? C3 PEG J 2 mPHE~I 53 42.75 22.26 56.00 43.22 22.05 56.86 41.11 24.10 55.36 40.13 24.35 54.65 41.35 22.66 55.89 40.62 22.47 57.21 3 0 40.37-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~I 54 41.99 25.03 55.70 42.76 24.71 56.25 42.30 26.67 53.87 41.91 27.65 53.22 41.82 26.42 55.28 42.52 27.37 56.27 3 0 37.31-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~I 55 43.12 25.76 53.37 43.28 24.97 53.96 42.70 26.36 50.98 42.94 27.33 50.26 43.71 25.94 52.07 44.49 24.68 51.69 2 0 35.23-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~I 56 41.56 25.64 50.83 41.43 24.87 51.45 39.98 27.43 50.00 39.62 28.14 49.03 40.60 26.06 49.78 39.53 24.96 49.81 3 0 33.84-999 ?-999 ?-999 ? C3 PEG J 2 mPHE~I 57 39.87 27.80 51.28 40.19 27.13 51.94 40.28 30.19 51.29 39.87 31.30 50.92 39.31 29.09 51.65 38.91 29.12 53.11 3 0 33.16-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~I 58 41.57 29.87 51.38 41.74 28.96 51.74 42.53 31.05 49.46 42.73 32.17 49.01 42.61 30.79 50.97 43.98 30.23 51.40 2 0 31.14-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~I 59 42.22 30.01 48.68 42.04 29.17 49.19 40.93 30.93 46.75 41.03 31.82 45.90 42.17 30.14 47.22 42.16 28.75 46.56 3 0 28.95-999 ?-999 ?-999 ? C3 PEG J 2 mASN~I 60 39.77 30.58 47.29 39.82 29.80 47.92 37.51 30.86 48.02 36.97 29.74 47.94 38.55 31.27 46.98 38.10 30.92 45.57 2 0 28.52-999 ?-999 ?-999 ? C2 PEG J 2 mPRO~I 61 37.24 31.73 49.00 37.73 32.60 48.96 34.87 31.24 49.56 34.12 30.55 50.19 36.30 31.37 50.04 36.42 32.49 51.06 3 0 31.08-999 ?-999 ?-999 ? C2 PEG J 2 mALA~I 62 34.50 31.90 48.47 35.21 32.47 48.06 33.00 30.34 47.42 32.04 29.65 47.68 33.13 31.76 47.95 32.85 32.78 46.85 2 0 30.13-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~I 63 34.01 29.93 46.67 34.71 30.62 46.50 34.12 27.57 47.32 33.32 26.66 47.37 34.08 28.57 46.16 35.33 28.45 45.30 2 0 30.83-999 ?-999 ?-999 ? C2 PEG J 2 mALA~I 64 35.01 27.76 48.26 35.54 28.60 48.19 33.90 26.63 50.13 33.43 25.52 50.38 35.19 26.78 49.31 36.38 27.14 50.17 2 0 33.89-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 65 33.30 27.75 50.49 33.76 28.59 50.19 30.97 27.01 50.50 30.16 26.33 51.10 32.08 27.74 51.24 31.64 29.16 51.51 2 0 35.35-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 66 30.93 27.18 49.19 31.63 27.78 48.80 30.18 25.00 48.25 29.24 24.24 48.15 29.91 26.51 48.42 29.75 27.18 47.05 2 0 35.04-999 ?-999 ?-999 ? C2 PEG J 2 mASP~I 67 31.43 24.58 48.20 32.12 25.31 48.25 31.51 22.40 49.40 31.09 21.25 49.37 31.75 23.15 48.08 33.21 22.92 47.62 2 0 36.70-999 ?-999 ?-999 ? C2 PEG J 2 mTYR~I 68 31.81 23.06 50.52 32.13 23.99 50.34 30.35 22.81 52.60 30.11 22.33 53.71 31.68 22.50 51.88 32.83 23.00 52.77 3 0 39.51-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~I 69 29.50 23.62 52.00 29.79 23.92 51.09 27.49 22.77 53.18 27.16 21.84 52.42 28.24 24.00 52.65 27.33 24.75 51.67 3 0 40.04-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~I 70 27.23 22.79 54.48 27.57 23.59 54.96 27.36 20.48 55.46 26.90 19.60 56.15 26.52 21.70 55.14-999.99-999.99-999.99 1 0 43.82-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~I 71 28.61 20.42 54.99 28.91 21.23 54.50 30.16 19.26 56.56 30.24 20.30 57.18 29.46 19.23 55.20 30.46 19.06 54.06 2 0 44.60-999 ?-999 ?-999 ? C2 PEG J 2 mTRP^I 72 30.64 18.10 57.00 30.47 17.34 56.38 32.79 17.65 58.02 33.12 16.88 57.12 31.34 17.97 58.28 30.77 16.82 59.08 3 0 47.00-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^I 73 33.66 18.23 58.83 33.23 18.82 59.52 35.63 17.79 60.17 35.08 18.29 61.15 35.10 18.04 58.75 35.78 19.28 58.08 3 0 46.52-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^I 74 36.67 16.97 60.28 36.97 16.58 59.40 38.65 17.32 61.48 39.49 16.93 60.66 37.30 16.66 61.55 37.44 15.15 61.72 2 0 49.06-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 75 38.85 18.34 62.30 38.10 18.54 62.93 40.88 18.96 63.54 40.32 19.08 64.63 40.09 19.10 62.26 39.84 20.58 62.04 3 0 47.51-999 ?-999 ?-999 ? C3 PEG J 2 mARG^I 76 42.18 18.73 63.39 42.47 18.68 62.44 44.00 19.79 64.62 44.52 20.27 63.61 43.09 18.57 64.51 43.95 17.32 64.27 2 0 49.33-999 ?-999 ?-999 ? C3 PEG J 2 mGLY^I 77 44.20 20.28 65.85 43.71 19.81 66.57 45.31 21.75 67.54 44.82 21.06 68.40 45.08 21.42 66.08-999.99-999.99-999.99 1 0 48.69-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 78 46.08 22.80 67.80 46.46 23.24 66.99 45.37 24.38 69.48 45.33 25.40 68.78 46.34 23.26 69.16 47.78 23.80 69.33 3 0 50.13-999 ?-999 ?-999 ? C3 PEG J 2 mILE^I 79 44.59 24.20 70.54 44.70 23.31 70.98 44.49 26.37 71.57 45.43 26.13 72.36 43.67 25.22 71.00 42.77 24.67 72.12 3 0 50.62-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 80 44.17 27.59 71.15 43.43 27.60 70.49 43.93 29.80 72.33 44.41 30.79 72.90 44.85 28.80 71.63 45.60 29.56 70.49 3 0 49.41-999 ?-999 ?-999 ? C3 PEG J 2 mASP^I 81 42.61 29.58 72.29 42.33 28.79 71.74 40.34 29.80 73.17 39.80 29.21 72.22 41.69 30.46 73.00 41.51 31.81 72.29 2 0 50.01-999 ?-999 ?-999 ? C3 PEG J 2 mILE^I 82 39.83 29.91 74.39 40.43 30.40 75.03 37.82 30.57 75.43 38.40 31.28 76.24 38.53 29.39 74.79 38.65 28.27 75.80 3 0 52.37-999 ?-999 ?-999 ? C3 PEG J 2 mARG^I 83 36.54 30.74 75.12 36.11 30.01 74.59 34.37 31.82 75.56 33.78 31.37 74.58 35.88 31.95 75.56 36.29 33.00 74.55 2 0 52.44-999 ?-999 ?-999 ? C3 PEG J 2 mARG^I 84 33.76 32.19 76.67 34.38 32.46 77.41 31.85 33.56 76.36 32.40 34.56 76.77 32.33 32.19 76.82 31.97 31.94 78.26 2 0 54.22-999 ?-999 ?-999 ? C3 PEG J 2 mLYS^I 85 30.81 33.58 75.53 30.43 32.68 75.35 28.78 34.98 75.23 28.05 33.99 75.27 30.28 34.82 74.95 30.58 34.81 73.45 2 0 52.16-999 ?-999 ?-999 ? C3 PEG J 2 mSER^I 86 28.33 36.21 75.47 29.06 36.90 75.50 26.16 36.37 74.38 26.62 36.86 73.37 26.90 36.51 75.68 26.67 37.94 76.14 2 0 53.37-999 ?-999 ?-999 ? C3 PEG J 2 mGLY~I 87 24.99 35.75 74.42 24.72 35.45 75.33 22.95 36.39 73.14 22.64 37.12 74.07 24.20 35.55 73.20-999.99-999.99-999.99 1 0 52.27-999 ?-999 ?-999 ? C2 PEG J 2 mILE~I 88 22.24 36.26 72.02 22.64 35.64 71.34 19.86 36.12 72.41 20.01 34.90 72.61 20.99 36.99 71.83 20.73 37.33 70.31 3 0 51.89-999 ?-999 ?-999 ? C2 PEG J 2 mALA~I 89 18.74 36.76 72.70 18.78 37.73 72.48 17.83 35.12 74.46 17.48 33.93 74.38 17.55 36.10 73.27 16.72 35.41 72.15 2 0 54.87-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~I 90 18.45 35.67 75.52 18.70 36.62 75.38 19.80 33.85 76.74 20.02 33.18 77.74 18.73 34.95 76.78-999.99-999.99-999.99 1 0 57.68-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 91 20.50 33.68 75.63 20.33 34.35 74.90 22.93 32.94 75.73 23.28 34.10 75.84 21.45 32.57 75.52 21.34 31.93 74.14 2 0 56.24-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^I 92 23.77 31.92 75.79 23.33 31.03 75.86 25.81 31.01 74.86 25.14 30.04 74.50 25.21 32.10 75.77 25.82 32.08 77.17 3 0 55.32-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^I 93 27.07 31.20 74.48 27.48 32.05 74.80 29.27 30.35 73.88 29.71 31.23 74.60 27.75 30.23 73.65 27.35 30.42 72.17 3 0 53.38-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^I 94 30.07 29.45 73.29 29.59 28.73 72.79 32.19 29.54 72.05 31.73 28.86 71.13 31.51 29.55 73.41 32.08 28.38 74.18 3 0 52.39-999 ?-999 ?-999 ? C3 PEG J 2 mILE^I 95 33.29 30.29 71.95 33.47 30.83 72.77 35.47 29.69 71.20 36.13 30.14 72.15 34.17 30.33 70.79 34.47 31.75 70.32 3 0 49.14-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 96 35.86 28.66 70.47 35.21 28.41 69.75 37.93 28.18 69.45 37.46 27.91 68.34 37.10 27.94 70.70 36.83 26.44 70.85 3 0 49.59-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^I 97 39.14 28.69 69.62 39.40 28.84 70.57 41.18 28.06 68.46 41.82 27.85 69.49 39.99 29.00 68.48 40.51 30.40 68.58 2 0 46.78-999 ?-999 ?-999 ? C3 PEG J 2 mMETI 98 41.51 27.57 67.27 40.97 27.96 66.53 43.60 27.00 66.02 43.24 27.60 65.01 42.56 26.57 67.06 41.83 25.31 66.57 2 0 46.59-999 ?-999 ?-999 ? C3 PEG J 2 mARG^I 99 44.88 26.68 66.25 45.02 26.23 67.14 46.51 25.67 64.67 46.31 24.60 65.23 45.94 26.97 65.26 47.08 27.80 65.86 2 0 44.82-999 ?-999 ?-999 ? C3 PEG J 2 mASP~I 100 47.19 25.77 63.52 47.22 26.70 63.15 48.87 24.09 63.83 49.67 24.86 64.37 47.81 24.62 62.88 48.47 25.01 61.55 2 0 44.30-999 ?-999 ?-999 ? C3 PEG J 2 mGLU~I 101 48.87 22.78 64.02 48.18 22.31 63.46 51.27 22.41 64.68 52.05 22.58 65.61 49.78 22.10 64.95 49.50 20.58 64.93 2 0 47.64-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~I 102 51.66 22.54 63.42 50.95 22.39 62.73 53.18 24.22 62.42 53.99 24.41 61.53 53.05 22.86 63.10 53.72 21.71 62.33 2 0 46.20-999 ?-999 ?-999 ? C3 PEG J 2 mASN~I 103 52.35 25.17 62.87 51.77 24.83 63.61 52.46 26.71 60.85 53.01 27.71 60.39 52.29 26.55 62.36 53.33 27.43 63.09 2 0 43.29-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~I 104 51.97 25.74 60.07 51.51 25.00 60.55 51.24 26.93 58.01 51.35 27.22 56.82 52.12 25.81 58.62 51.90 24.43 57.96 2 0 40.78-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~I 105 50.36 27.53 58.83 50.30 27.09 59.72 49.46 29.62 59.67 49.51 29.15 60.80 49.56 28.71 58.44 48.12 28.37 57.92 2 0 38.49-999 ?-999 ?-999 ? C3 PEG J 2 mASP~I 106 49.35 30.93 59.43 49.38 31.17 58.46 47.71 32.08 60.83 47.34 32.69 61.82 49.20 31.91 60.51 49.80 33.26 60.08 2 0 38.42-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~I 107 46.85 31.57 59.97 47.25 31.08 59.20 44.91 30.74 61.21 45.44 29.65 61.33 45.42 31.72 60.17 44.66 31.56 58.85 2 0 37.97-999 ?-999 ?-999 ? C3 PEG J 2 mARG~I 108 43.89 31.17 61.95 43.59 32.09 61.71 41.89 29.88 62.55 41.18 30.57 61.82 43.25 30.38 63.00 42.91 31.25 64.20 2 0 41.11-999 ?-999 ?-999 ? C3 PEG J 2 mLEU^I 109 41.47 28.73 63.06 42.15 28.28 63.64 39.32 28.35 64.03 39.80 28.04 65.10 40.14 28.20 62.77 40.23 26.73 62.38 3 0 42.30-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^I 110 38.09 28.84 63.92 37.82 29.09 63.00 36.06 28.02 65.04 35.61 27.62 63.98 37.26 28.97 65.11 36.76 30.41 65.31 2 0 44.26-999 ?-999 ?-999 ? C3 PEG J 2 mPHE^I 111 35.56 27.67 66.20 36.05 28.09 66.97 33.43 27.50 67.29 33.82 28.13 68.26 34.42 26.80 66.38 34.87 25.55 67.13 3 0 47.00-999 ?-999 ?-999 ? C3 PEG J 2 mASN^I 112 32.15 27.32 67.06 31.96 26.73 66.26 30.31 26.83 68.55 29.53 26.09 67.89 31.12 27.92 67.88 30.24 28.78 66.99 2 0 48.51-999 ?-999 ?-999 ? C3 PEG J 2 mPHE^I 113 30.47 26.72 69.86 31.13 27.38 70.25 28.56 26.36 71.33 28.71 27.32 72.03 29.73 25.72 70.64 30.59 25.12 71.76 3 0 52.24-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^I 114 27.39 25.80 71.14 27.38 25.06 70.48 26.35 25.85 73.35 27.19 25.02 73.71 26.24 26.26 71.88-999.99-999.99-999.99 1 0 53.98-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 115 25.46 26.42 74.17 24.81 27.01 73.69 25.31 24.76 76.04 25.88 24.36 77.04 25.43 26.21 75.62 24.30 27.05 76.25 2 0 57.40-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~I 116 24.57 23.99 75.25 24.22 24.49 74.46 25.52 21.66 75.43 25.43 20.48 75.80 24.30 22.56 75.49 23.26 22.04 74.47 3 0 59.29-999 ?-999 ?-999 ? C2 PEG J 2 mASN~I 117 26.64 22.20 74.96 26.58 23.17 74.73 28.95 22.01 75.68 30.11 21.88 75.35 27.84 21.44 74.82 28.23 21.38 73.34 2 0 58.31-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 118 28.60 22.61 76.80 27.62 22.59 77.01 30.63 22.23 78.21 31.79 22.58 78.41 29.62 23.22 77.65 28.98 24.07 78.77 2 0 59.33-999 ?-999 ?-999 ? C3 PEG J 2 mALA~I 119 30.19 21.00 78.44 29.22 20.86 78.25 32.26 19.73 77.98 33.39 19.56 78.42 31.08 19.96 78.95 30.33 18.69 79.20 2 0 61.67-999 ?-999 ?-999 ? C3 PEG J 2 mASP~I 120 32.01 19.70 76.68 31.06 19.82 76.41 34.11 20.66 75.91 35.31 20.43 76.03 33.12 19.52 75.75 32.69 19.46 74.28 2 0 58.83-999 ?-999 ?-999 ? C3 PEG J 2 mVAL~I 121 33.60 21.88 75.94 32.60 21.91 75.89 35.20 23.15 77.37 36.37 23.59 77.40 34.44 23.07 76.03 33.61 24.35 75.80 3 0 56.98-999 ?-999 ?-999 ? C3 PEG J 2 mGLU~I 122 34.55 22.72 78.45 33.63 22.37 78.27 36.31 21.77 79.97 37.10 21.89 80.91 35.17 22.76 79.78 34.12 22.66 80.88 2 0 60.22-999 ?-999 ?-999 ? C3 PEG J 2 mALA~I 123 36.42 20.81 79.05 35.73 20.87 78.33 38.68 20.21 78.32 39.78 19.75 78.58 37.45 19.78 79.10 36.90 18.45 78.54 2 0 60.79-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~I 124 38.50 21.10 77.36 37.55 21.40 77.26 40.58 22.42 77.34 40.26 22.89 78.42 39.60 21.58 76.54 39.05 22.40 75.39 3 0 57.46-999 ?-999 ?-999 ? C3 PEG J 2 mSER~I 125 41.76 22.65 76.78 41.86 22.28 75.86 43.71 24.20 76.52 44.26 23.65 75.56 42.80 23.39 77.49 43.60 22.35 78.30 2 0 57.17-999 ?-999 ?-999 ? C3 PEG J 2 mASN~I 126 43.85 25.51 76.75 43.29 25.85 77.50 46.18 25.79 75.94 46.76 25.55 77.01 44.76 26.34 75.92 44.80 27.80 76.40 2 0 54.35-999 ?-999 ?-999 ? C3 PEG J 2 mGLY~I 127 46.72 25.58 74.75 46.12 25.82 73.99 48.10 23.55 74.27 49.15 22.99 73.96 48.08 25.04 74.58-999.99-999.99-999.99 1 0 53.89-999 ?-999 ?-999 ? C3 PEG J 2 mSER~I 128 46.93 22.91 74.31 46.14 23.49 74.50 46.21 21.10 72.76 45.35 21.81 72.26 46.85 21.47 74.10 46.07 20.84 75.25 2 0 55.25-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 129 46.64 19.97 72.21 47.36 19.51 72.72 44.65 18.96 71.21 44.36 18.36 72.24 46.08 19.47 70.97 46.89 18.27 70.40 3 0 53.78-999 ?-999 ?-999 ? C3 PEG J 2 mALA^I 130 43.76 19.24 70.26 44.09 19.84 69.54 42.01 18.38 68.86 42.56 18.93 67.91 42.41 18.72 70.30 41.44 19.73 70.90 2 0 53.73-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^I 131 41.09 17.42 68.74 40.85 16.98 69.60 38.98 17.28 67.60 38.33 16.73 68.49 40.48 17.05 67.45 40.82 15.62 67.03 2 0 52.69-999 ?-999 ?-999 ? C3 PEG J 2 mILE^I 132 38.43 18.15 66.77 39.07 18.50 66.08 36.34 18.38 65.54 36.88 18.80 64.52 37.03 18.54 66.87 36.91 20.01 67.27 3 0 51.70-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^I 133 35.17 17.74 65.54 34.89 17.34 66.41 33.42 18.83 64.33 32.88 19.17 65.36 34.37 17.66 64.32 33.54 16.38 64.21 3 0 50.85-999 ?-999 ?-999 ? C3 PEG J 2 mGLY^I 134 33.24 19.45 63.17 33.78 19.10 62.41 31.73 20.65 61.65 32.25 20.05 60.71 32.30 20.55 63.04-999.99-999.99-999.99 1 0 48.46-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^I 135 30.67 21.44 61.51 30.40 21.92 62.34 30.19 22.99 59.69 30.25 23.96 60.46 29.98 21.59 60.24 28.49 21.35 60.44 2 0 46.30-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~I 136 30.29 23.08 58.37 30.18 22.20 57.89 29.21 24.91 57.24 28.43 24.22 56.58 30.53 24.33 57.67 31.38 24.10 56.40 3 0 42.56-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~I 137 28.96 26.16 57.63 29.69 26.54 58.21 28.21 28.03 56.34 29.41 28.20 56.13 27.76 26.92 57.26 27.09 27.47 58.51 3 0 41.58-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~I 138 27.28 28.80 55.78 26.34 28.62 56.07 28.65 30.82 55.40 28.41 31.37 56.47 27.68 29.80 54.80 26.48 30.53 54.19 2 0 38.17-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~I 139 29.77 31.03 54.70 29.86 30.46 53.89 30.51 33.36 54.41 30.57 33.42 53.19 30.77 32.02 55.12 32.16 31.55 54.75 3 0 36.09-999 ?-999 ?-999 ? C2 PEG J 2 mGLN~I 140 30.20 34.42 55.18 30.18 34.21 56.15 30.61 36.81 55.50 30.79 36.63 56.68 29.93 35.76 54.65 28.42 36.06 54.58 2 0 34.20-999 ?-999 ?-999 ? C2 PEG J 2 mASP~I 141 30.97 37.94 54.88 30.75 37.95 53.90 32.84 38.51 56.35 33.13 38.94 57.48 31.63 39.04 55.59 30.64 39.69 56.54 2 0 33.07-999 ?-999 ?-999 ? C2 PEG J 2 mSER~I 142 33.53 37.58 55.69 33.19 37.40 54.77 35.18 35.92 55.20 34.47 35.60 54.26 34.68 36.89 56.25 34.25 36.10 57.48 2 0 33.60-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~I 143 36.40 35.44 55.37 36.88 35.81 56.17 37.29 33.16 55.15 37.68 32.22 54.48 36.98 34.47 54.46 38.28 34.99 53.91 2 0 32.62-999 ?-999 ?-999 ? C3 PEG J 2 mILE~I 144 37.15 33.10 56.47 36.84 33.94 56.90 36.20 31.40 57.87 35.55 32.19 58.52 37.46 31.85 57.18 38.52 32.07 58.24 3 0 36.12-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~I 145 35.88 30.11 57.77 36.51 29.51 57.30 34.75 29.51 59.84 35.83 29.25 60.32 34.63 29.70 58.36 34.38 28.33 57.72 3 0 38.91-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^I 146 33.67 29.73 60.56 32.93 30.18 60.06 32.71 28.09 61.89 31.54 28.13 61.45 33.58 29.34 61.94 32.90 30.35 62.80 2 0 42.25-999 ?-999 ?-999 ? C3 PEG J 2 mLEU^I 147 33.28 26.99 62.32 34.21 27.11 62.66 31.46 25.66 63.32 31.63 26.15 64.43 32.58 25.71 62.27 33.59 24.57 62.42 3 0 44.71-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^I 148 30.33 25.07 62.96 30.37 24.68 62.04 28.78 23.57 64.26 29.26 22.60 63.67 29.13 24.99 63.83 27.91 25.55 63.09 2 0 47.23-999 ?-999 ?-999 ? C2 PEG J 2 mASN^I 149 27.91 23.48 65.28 27.61 24.36 65.64 28.58 21.24 66.08 28.47 20.08 65.76 27.44 22.23 65.84 26.37 21.65 64.93 2 0 50.82-999 ?-999 ?-999 ? C2 PEG J 2 mPRO^I 150 29.66 21.70 66.72 29.61 22.64 67.07 30.74 19.84 68.03 29.90 19.95 68.88 30.81 20.84 66.88 31.96 21.82 67.12 3 0 51.54-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^I 151 31.66 18.89 67.99 32.27 18.98 67.21 33.31 17.56 69.11 34.00 17.43 68.09 31.81 17.82 68.96 31.13 16.53 68.46 2 0 54.74-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^I 152 33.83 17.54 70.35 33.18 17.76 71.07 35.33 15.69 70.51 34.58 15.01 71.18 35.24 17.21 70.58 35.78 17.70 71.95 3 0 55.65-999 ?-999 ?-999 ? C3 PEG J 2 mVAL~I 153 36.23 15.17 69.68 36.77 15.84 69.18 37.55 13.26 70.38 38.64 13.83 70.32 36.38 13.73 69.53 36.51 13.29 68.07 3 0 56.90-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~I 154 37.27 12.20 71.14 36.38 11.81 70.93 38.43 10.11 72.10 38.91 9.53 71.11 38.16 11.64 72.19 37.52 11.95 73.56 2 0 60.01-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~J 36 24.67 45.01 29.10 23.79 45.48 29.03 26.51 43.93 27.81 25.78 43.28 27.06 26.00 44.32 29.21 25.92 43.06 30.13 2 0 17.63-999 ?-999 ?-999 ? O1 PEG J 2 mPRO~J 37 27.76 44.31 27.45 28.29 44.82 28.13 28.36 42.43 25.92 28.60 41.70 26.88 28.24 43.95 26.11 29.63 44.61 26.04 3 0 15.43-999 ?-999 ?-999 ? O1 PEG J 2 mGLY~J 38 28.17 41.99 24.67 27.99 42.71 24.01 29.66 40.05 24.28 30.61 40.82 24.19 28.24 40.56 24.32-999.99-999.99-999.99 1 0 17.47-999 ?-999 ?-999 ? O1 PEG J 2 mASP~J 39 29.81 38.73 24.32 28.95 38.23 24.35 32.02 38.45 23.12 33.25 38.48 23.25 31.13 38.08 24.32 30.98 36.56 24.52 2 0 17.38-999 ?-999 ?-999 ? O1 PEG J 2 mASP~J 40 31.40 38.75 21.97 30.41 38.62 21.99 32.77 40.56 21.10 33.99 40.75 20.99 32.15 39.21 20.79 31.27 39.37 19.54 2 0 16.44-999 ?-999 ?-999 ? O1 PEG J 2 mALA~J 41 31.91 41.50 21.49 30.96 41.20 21.53 33.37 42.86 22.97 34.28 43.68 22.97 32.34 42.85 21.82 31.13 43.74 22.16 2 0 13.33-999 ?-999 ?-999 ? O1 PEG J 2 mVAL~J 42 33.23 41.94 23.92 32.44 41.34 23.77 35.58 41.39 24.66 36.56 41.79 25.30 34.16 41.83 25.06 33.65 40.83 26.11 3 0 12.55-999 ?-999 ?-999 ? C2 PEG J 2 mALA~J 43 35.69 40.57 23.62 34.83 40.30 23.20 37.69 41.12 22.21 38.89 40.97 21.94 37.01 40.12 23.17 36.89 38.74 22.52 2 0 12.72-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 44 36.94 42.09 21.69 35.98 42.07 21.96 37.80 44.41 21.55 37.98 45.47 20.93 37.51 43.10 20.80 36.58 43.38 19.61 2 0 10.75-999 ?-999 ?-999 ? O1 PEG J 2 mMETJ 45 37.80 44.36 22.88 37.59 43.47 23.27 39.57 45.51 23.97 40.16 44.41 24.12 38.10 45.54 23.67 37.33 45.54 24.98 2 0 7.51-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~J 46 40.15 46.69 24.08 39.56 47.47 23.87 41.51 46.55 25.96 40.47 46.71 26.58 41.53 46.83 24.48 42.06 48.20 24.12 2 0 -4.85-999 ?-999 ?-999 ? C2 PEG J 2s mTHR~J 47 42.62 46.05 26.50 43.36 45.93 25.84 43.52 46.77 28.66 44.57 47.19 28.20 42.74 45.70 27.91 43.46 44.35 28.06 2 0 5.29-999 ?-999 ?-999 ? O2 PEG J 2 mTYR^J 48 43.00 47.25 29.79 42.09 46.91 29.99 44.49 47.37 31.69 44.03 46.31 32.08 43.75 48.19 30.63 42.84 49.12 31.47 3 0 4.44-999 ?-999 ?-999 ? C3 PEG J 2 mSER^J 49 45.62 47.87 32.13 46.00 48.62 31.59 45.54 48.18 34.42 44.89 49.21 34.12 46.24 47.35 33.32 47.72 47.64 33.33 2 0 7.07-999 ?-999 ?-999 ? C3 PEG J 2 mVAL~J 50 45.72 47.80 35.68 46.28 46.99 35.80 45.68 49.96 36.84 44.94 50.94 36.89 45.11 48.54 36.76 45.24 47.78 38.10 3 0 9.54-999 ?-999 ?-999 ? C3 PEG J 2 mALA~J 51 47.00 50.06 36.79 47.49 49.19 36.72 47.10 52.27 35.73 46.84 53.45 35.96 47.65 51.37 36.83 49.14 51.23 36.69 2 0 9.62-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~J 52 46.92 51.72 34.54 47.11 50.74 34.49 45.08 53.06 33.63 44.83 54.19 33.35 46.48 52.54 33.42 46.56 51.80 32.06 2 0 6.14-999 ?-999 ?-999 ? C3 PEG J 2 mPHE~J 53 44.19 52.23 34.14 44.55 51.32 34.34 42.66 53.62 35.56 41.83 54.53 35.50 42.80 52.65 34.39 41.90 51.42 34.58 3 0 7.17-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~J 54 43.41 53.42 36.64 44.03 52.63 36.59 44.05 55.66 37.61 43.89 56.59 38.39 43.28 54.33 37.79 43.72 53.64 39.09 3 0 10.71-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~J 55 44.89 55.77 36.59 44.92 54.99 35.97 44.83 58.26 36.46 45.06 59.13 37.27 45.70 56.97 36.43 46.60 56.85 35.20 2 0 10.51-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~J 56 43.81 58.35 35.59 43.68 57.59 34.95 42.34 59.78 37.03 42.20 60.92 37.44 42.99 59.56 35.65 41.94 59.36 34.55 3 0 11.65-999 ?-999 ?-999 ? C3 PEG J 2 mPHE~J 57 41.97 58.71 37.74 42.14 57.84 37.27 42.33 59.37 40.14 41.91 60.01 41.12 41.38 58.83 39.08 40.81 57.50 39.53 3 0 14.12-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~J 58 43.62 59.15 39.93 43.80 58.61 39.11 44.82 61.15 40.66 45.09 61.86 41.63 44.66 59.64 40.82 45.94 58.88 40.49 2 0 15.60-999 ?-999 ?-999 ? C3 PEG J 2 mLEU~J 59 44.64 61.62 39.43 44.44 60.90 38.76 43.48 63.83 39.52 43.58 64.86 40.14 44.72 63.05 39.07 44.92 63.19 37.56 3 0 16.39-999 ?-999 ?-999 ? C4 PEG J 2 mASN~J 60 42.30 63.30 39.21 42.36 62.45 38.69 39.89 62.94 39.50 39.35 62.72 38.42 41.03 63.92 39.60 40.76 65.14 38.73 2 0 17.80-999 ?-999 ?-999 ? C1 PEG J 2 mPRO~J 61 39.49 62.33 40.62 39.95 62.60 41.46 37.10 61.92 40.17 36.29 61.20 39.60 38.44 61.35 40.54 38.37 60.77 41.95 3 0 17.41-999 ?-999 ?-999 ? C1 PEG J 2 mALA~J 62 36.83 63.17 40.51 37.54 63.64 41.03 35.49 63.81 38.57 34.51 63.41 37.96 35.54 63.73 40.11 35.29 65.09 40.76 2 0 19.23-999 ?-999 ?-999 ? C1 PEG J 2 mLYS~J 63 36.58 64.25 37.93 37.35 64.50 38.52 36.62 62.97 35.84 35.85 62.71 34.94 36.61 64.35 36.48 37.78 65.20 35.98 2 0 16.82-999 ?-999 ?-999 ? C1 PEG J 2 mALA~J 64 37.51 62.10 36.30 38.10 62.49 37.01 36.23 60.04 35.87 35.76 59.47 34.90 37.60 60.72 35.80 38.61 59.93 36.60 2 0 13.61-999 ?-999 ?-999 ? C1 PEG J 2 mSER~J 65 35.57 60.14 37.02 36.05 60.66 37.72 33.23 60.04 36.19 32.43 59.29 35.67 34.25 59.53 37.21 33.74 59.83 38.62 2 0 15.43-999 ?-999 ?-999 ? C1 PEG J 2 mSER~J 66 33.25 61.33 35.93 33.95 61.83 36.43 32.65 61.53 33.51 31.74 61.29 32.75 32.33 61.92 34.98 32.31 63.41 35.22 2 0 16.37-999 ?-999 ?-999 ? C1 PEG J 2 mASP~J 67 33.93 61.44 33.14 34.58 61.67 33.87 34.03 59.53 31.53 33.85 59.13 30.38 34.33 61.02 31.80 35.83 61.21 31.59 2 0 13.03-999 ?-999 ?-999 ? O1 PEG J 2 mTYR~J 68 34.06 58.72 32.58 34.25 59.19 33.45 32.45 56.84 32.85 32.15 55.65 32.71 33.85 57.30 32.49 34.82 56.56 33.41 3 0 11.60-999 ?-999 ?-999 ? O1 PEG J 2 mLEU~J 69 31.60 57.76 33.29 31.94 58.69 33.26 29.49 56.52 32.76 29.28 56.93 31.64 30.27 57.39 33.77 29.44 58.64 34.12 3 0 14.89-999 ?-999 ?-999 ? O1 PEG J 2 mGLY~J 70 29.09 55.33 33.19 29.36 55.12 34.13 29.15 53.65 31.32 28.60 52.92 30.54 28.33 54.43 32.33-999.99-999.99-999.99 1 0 14.94-999 ?-999 ?-999 ? O1 PEG J 2 mLYS~J 71 30.47 53.79 31.33 30.82 54.39 32.04 31.83 51.79 30.87 31.92 51.56 32.05 31.30 53.09 30.36 32.44 53.96 29.87 2 0 11.26-999 ?-999 ?-999 ? O1 PEG J 2 mTRP^J 72 32.13 50.91 29.92 31.97 51.26 29.00 34.14 49.59 29.96 34.63 50.10 28.94 32.64 49.60 30.19 31.97 48.56 29.28 3 0 10.31-999 ?-999 ?-999 ? O1 PEG J 2 mVAL^J 73 34.87 49.04 30.92 34.35 48.77 31.73 36.72 47.40 31.06 36.06 46.72 31.86 36.32 48.87 30.78 37.07 49.80 31.73 3 0 7.72-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^J 74 37.78 46.94 30.42 38.18 47.61 29.79 39.67 45.73 31.28 40.60 46.32 30.71 38.31 45.59 30.62 38.42 44.88 29.29 2 0 7.88-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^J 75 39.77 45.24 32.51 38.95 44.76 32.83 41.57 44.03 33.70 40.87 43.10 34.10 40.98 45.38 33.31 40.71 46.17 34.61 3 0 8.77-999 ?-999 ?-999 ? C2 PEG J 2 mARG^J 76 42.89 43.96 33.60 43.32 44.82 33.31 44.52 43.10 35.10 45.13 44.16 35.16 43.65 42.77 33.89 44.49 42.40 32.66 2 0 10.64-999 ?-999 ?-999 ? C3 PEG J 2 mGLY^J 77 44.56 42.17 36.05 44.01 41.36 35.85 45.40 41.10 38.13 44.79 40.09 37.79 45.34 42.35 37.28-999.99-999.99-999.99 1 0 13.17-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^J 78 46.15 41.15 39.21 46.63 42.02 39.34 45.18 40.18 41.17 45.07 41.23 41.83 46.27 40.03 40.11 47.66 39.97 40.76 3 0 16.88-999 ?-999 ?-999 ? C3 PEG J 2 mILE^J 79 44.36 39.15 41.31 44.55 38.38 40.70 43.94 39.00 43.67 44.74 38.09 43.87 43.30 39.14 42.29 42.30 37.98 42.03 3 0 19.10-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^J 80 43.61 39.90 44.59 42.97 40.62 44.29 43.12 39.43 47.00 43.46 39.02 48.11 44.16 39.82 45.94 44.96 41.08 46.33 3 0 21.62-999 ?-999 ?-999 ? C3 PEG J 2 mASP^J 81 41.85 39.51 46.67 41.66 39.84 45.74 39.52 38.81 46.92 39.22 39.42 45.88 40.84 39.12 47.64 40.67 40.23 48.69 2 0 23.75-999 ?-999 ?-999 ? C3 PEG J 2 mILE^J 82 38.79 37.84 47.45 39.23 37.41 48.25 36.69 37.17 48.23 37.13 36.41 49.11 37.50 37.42 46.95 37.59 36.09 46.17 3 0 24.85-999 ?-999 ?-999 ? C2 PEG J 2 mARG^J 83 35.54 37.81 48.34 35.32 38.33 47.52 33.22 37.78 49.18 32.78 38.58 48.34 34.68 37.77 49.52 34.84 39.06 50.32 2 0 27.47-999 ?-999 ?-999 ? C2 PEG J 2 mARG^J 84 32.46 37.02 49.94 32.96 36.44 50.59 30.57 37.92 50.95 31.03 37.78 52.08 31.04 37.02 49.83 30.50 35.62 49.99 2 0 29.33-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^J 85 29.67 38.86 50.65 29.37 38.89 49.69 27.65 39.77 51.81 26.91 39.44 50.88 29.17 39.77 51.66 29.66 41.19 51.41 2 0 30.42-999 ?-999 ?-999 ? C2 PEG J 2 mSER^J 86 27.19 40.10 53.01 27.91 40.25 53.69 25.22 41.48 52.65 25.83 42.53 52.73 25.76 40.24 53.28 25.48 40.36 54.77 2 0 33.19-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~J 87 24.05 41.35 52.05 23.65 40.44 52.10 22.15 42.87 52.10 21.68 42.19 53.02 23.40 42.46 51.38-999.99-999.99-999.99 1 0 32.35-999 ?-999 ?-999 ? C2 PEG J 2 mILE~J 88 21.60 43.99 51.65 22.12 44.40 50.91 19.19 43.86 51.50 19.32 43.34 50.38 20.36 44.54 52.22 20.25 46.11 51.99 3 0 34.39-999 ?-999 ?-999 ? C2 PEG J 2 mALA~J 89 18.04 43.89 52.14 18.09 44.33 53.03 17.02 41.87 51.02 16.78 41.61 49.81 16.82 43.31 51.55 16.27 44.23 50.45 2 0 36.55-999 ?-999 ?-999 ? C2 PEG J 2 mGLY~J 90 17.48 40.99 51.93 17.71 41.42 52.80 18.72 39.05 50.75 18.91 37.86 50.56 17.62 39.53 51.70-999.99-999.99-999.99 1 0 37.09-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 91 19.50 39.97 50.19 19.33 40.90 50.50 21.88 39.32 49.76 22.12 39.41 50.94 20.49 39.64 49.21 20.65 40.86 48.31 2 0 33.47-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^J 92 22.77 38.93 48.86 22.37 38.74 47.96 24.91 39.18 47.86 24.30 39.19 46.76 24.19 38.79 49.14 24.60 37.39 49.59 3 0 31.42-999 ?-999 ?-999 ? C2 PEG J 2 mTYR^J 93 26.18 39.51 48.00 26.53 39.47 48.94 28.46 39.53 47.08 28.82 38.96 48.11 26.99 39.91 46.86 26.79 41.41 46.56 3 0 27.74-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^J 94 29.32 39.80 46.11 28.91 40.18 45.28 31.57 40.74 45.88 31.21 41.47 44.98 30.74 39.55 46.29 31.20 38.41 45.42 3 0 25.53-999 ?-999 ?-999 ? C2 PEG J 2 mILE^J 95 32.70 40.91 46.54 32.83 40.25 47.29 34.93 41.21 45.78 35.39 40.29 46.46 33.68 41.94 46.22 34.01 42.82 47.43 3 0 23.23-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^J 96 35.44 41.56 44.62 34.89 42.24 44.13 37.65 42.17 44.00 37.26 43.24 43.47 36.69 41.00 44.11 36.49 40.37 42.77 3 0 20.86-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^J 97 38.85 42.00 44.56 38.98 41.08 44.93 41.10 42.61 43.81 41.53 41.46 43.90 39.88 43.06 44.62 40.28 43.39 46.05 2 0 19.50-999 ?-999 ?-999 ? C3 PEG J 2 mMETJ 98 41.62 43.55 43.02 41.21 44.45 43.16 43.75 44.39 42.19 43.43 45.55 42.39 42.69 43.31 42.06 42.05 43.39 40.68 2 0 16.62-999 ?-999 ?-999 ? C3 PEG J 2 mARG^J 99 45.01 43.98 42.10 45.14 43.00 41.99 46.76 44.94 40.78 46.53 44.05 39.96 46.11 44.91 42.16 47.14 44.48 43.21 2 0 15.92-999 ?-999 ?-999 ? C3 PEG J 2 mASP~J 100 47.57 45.95 40.54 47.68 46.60 41.29 49.22 44.89 39.13 49.98 44.62 40.05 48.24 46.05 39.25 49.00 47.37 39.12 2 0 13.20-999 ?-999 ?-999 ? C3 PEG J 2 mGLU~J 101 49.20 44.25 37.97 48.57 44.63 37.30 51.51 43.37 37.92 52.26 42.50 38.36 50.04 43.09 37.69 49.79 42.64 36.26 2 0 13.99-999 ?-999 ?-999 ? C3 PEG J 2 mGLN~J 102 51.93 44.61 37.67 51.22 45.25 37.37 53.60 45.91 38.99 54.67 46.51 39.06 53.32 44.96 37.82 53.81 45.57 36.51 2 0 14.71-999 ?-999 ?-999 ? C3 PEG J 2 mASN~J 103 52.66 46.06 39.91 51.86 45.49 39.76 53.13 48.45 40.63 53.70 49.22 41.40 52.84 46.99 41.04 53.89 46.45 42.02 2 0 16.21-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~J 104 52.69 48.83 39.43 52.21 48.12 38.91 52.18 51.21 39.83 52.54 52.38 39.81 52.90 50.18 38.95 52.52 50.31 37.47 2 0 13.88-999 ?-999 ?-999 ? C4 PEG J 2 mTHR~J 105 51.15 50.78 40.56 50.91 49.83 40.36 50.19 50.71 42.79 50.13 49.49 42.67 50.45 51.60 41.56 49.06 52.11 41.09 2 0 15.03-999 ?-999 ?-999 ? C3 PEG J 2 mASP~J 106 50.03 51.33 43.95 50.17 52.32 43.91 48.15 50.56 45.38 47.65 49.93 46.29 49.68 50.59 45.18 50.39 51.18 46.42 2 0 18.22-999 ?-999 ?-999 ? C3 PEG J 2 mLYS~J 107 47.40 51.23 44.52 47.90 51.69 43.78 45.28 50.04 44.11 45.68 49.56 43.07 45.96 51.26 44.69 45.40 52.52 44.06 2 0 17.09-999 ?-999 ?-999 ? C3 PEG J 2 mARG~J 108 44.26 49.54 44.80 44.03 50.05 45.63 42.23 48.74 43.67 41.62 49.75 43.97 43.54 48.36 44.38 43.15 47.51 45.57 2 0 17.05-999 ?-999 ?-999 ? C3 PEG J 2 mLEU^J 109 41.79 47.91 42.73 42.40 47.13 42.56 39.62 47.05 42.51 40.05 45.92 42.64 40.55 48.12 42.03 40.77 47.95 40.54 3 0 15.34-999 ?-999 ?-999 ? C3 PEG J 2 mTHR^J 110 38.36 47.38 42.78 38.13 48.34 42.61 36.26 46.27 42.30 35.99 47.15 41.50 37.41 46.41 43.27 36.86 46.77 44.63 2 0 17.89-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^J 111 35.60 45.12 42.36 35.96 44.48 43.04 33.36 44.25 42.42 33.58 43.43 43.29 34.48 44.81 41.52 34.85 43.71 40.52 3 0 17.93-999 ?-999 ?-999 ? C2 PEG J 2 mASN^J 112 32.14 44.64 42.14 32.07 45.27 41.36 30.18 43.27 41.99 29.64 43.72 40.99 31.01 44.17 42.90 30.25 45.39 43.38 2 0 20.99-999 ?-999 ?-999 ? C2 PEG J 2 mPHE^J 113 30.12 41.99 42.32 30.65 41.75 43.13 28.09 40.69 42.35 28.15 40.34 43.56 29.35 41.02 41.57 30.10 39.68 41.46 3 0 22.21-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^J 114 26.97 40.77 41.67 27.08 41.13 40.75 25.68 38.83 42.43 26.55 38.10 41.88 25.68 40.34 42.25-999.99-999.99-999.99 1 0 25.27-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 115 24.69 38.35 43.19 24.07 39.06 43.54 24.25 36.10 42.23 24.49 34.90 42.22 24.52 36.94 43.48 23.38 36.76 44.48 2 0 28.33-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~J 116 23.76 36.74 41.19 23.62 37.72 41.33 24.71 35.67 39.22 24.66 34.83 38.34 23.45 36.04 39.96 22.54 36.88 39.03 3 0 27.62-999 ?-999 ?-999 ? C2 PEG J 2 mASN~J 117 25.83 36.26 39.59 25.77 36.91 40.35 28.04 35.31 39.81 29.24 35.63 39.76 27.04 35.95 38.90 27.61 37.18 38.18 2 0 24.79-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 118 27.57 34.38 40.63 26.59 34.20 40.59 29.32 32.67 40.77 30.42 32.38 41.19 28.49 33.69 41.53 27.76 33.06 42.69 2 0 26.74-999 ?-999 ?-999 ? C2 PEG J 2 mALA~J 119 28.83 32.12 39.67 27.89 32.39 39.44 31.02 31.82 38.52 32.06 31.19 38.65 29.66 31.18 38.88 28.95 30.73 37.60 2 0 26.57-999 ?-999 ?-999 ? C2 PEG J 2 mASP~J 120 31.00 33.06 38.07 30.09 33.48 37.98 33.13 33.93 38.95 34.34 33.83 38.84 32.24 33.74 37.73 32.00 35.13 37.15 2 0 22.90-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~J 121 32.54 34.25 40.10 31.54 34.30 40.07 33.94 33.17 41.76 35.10 33.09 42.17 33.34 34.49 41.28 32.49 35.16 42.39 3 0 23.83-999 ?-999 ?-999 ? C2 PEG J 2 mGLU~J 122 33.14 32.12 41.68 32.23 32.29 41.32 34.73 30.24 41.24 35.38 29.28 41.63 33.60 30.82 42.11 32.42 29.86 42.26 2 0 26.88-999 ?-999 ?-999 ? C2 PEG J 2 mALA~J 123 34.98 30.84 40.09 34.41 31.64 39.89 37.30 31.17 39.26 38.27 30.78 38.63 36.02 30.35 39.21 35.51 30.21 37.76 2 0 24.97-999 ?-999 ?-999 ? C2 PEG J 2 mLEU~J 124 37.31 32.26 40.03 36.42 32.51 40.42 39.44 32.37 41.33 39.04 31.42 42.02 38.53 33.02 40.27 38.20 34.42 40.70 3 0 22.84-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 125 40.66 32.88 41.47 40.85 33.66 40.87 42.50 33.42 42.99 43.11 34.15 42.24 41.64 32.33 42.42 42.54 31.33 41.70 2 0 24.26-999 ?-999 ?-999 ? C3 PEG J 2 mASN~J 126 42.58 33.55 44.30 42.04 32.90 44.84 44.85 34.33 44.42 45.31 33.19 44.47 43.43 34.60 44.86 43.38 34.64 46.38 2 0 24.02-999 ?-999 ?-999 ? C3 PEG J 2 mGLY~J 127 45.54 35.40 44.03 45.03 36.26 44.09 47.01 35.24 42.04 48.09 35.45 41.49 46.90 35.36 43.55-999.99-999.99-999.99 1 0 22.62-999 ?-999 ?-999 ? C3 PEG J 2 mSER~J 128 45.92 34.92 41.35 45.10 34.82 41.91 45.58 36.01 39.12 44.77 36.81 39.56 45.95 34.75 39.90 44.99 33.63 39.47 2 0 20.63-999 ?-999 ?-999 ? C3 PEG J 2 mVAL^J 129 46.19 36.15 37.96 46.91 35.47 37.79 44.45 36.88 36.49 44.14 35.74 36.16 45.86 37.18 37.01 46.81 37.15 35.80 3 0 16.98-999 ?-999 ?-999 ? C3 PEG J 2 mALA^J 130 43.59 37.88 36.44 43.91 38.74 36.85 42.01 38.98 35.01 42.65 40.01 35.21 42.28 37.72 35.83 41.25 37.52 36.85 2 0 15.99-999 ?-999 ?-999 ? O2 PEG J 2 mTHR^J 131 41.10 38.88 34.06 40.70 37.96 33.96 39.23 40.10 33.41 38.52 39.15 33.08 40.72 40.01 33.24 41.11 39.79 31.77 2 0 12.88-999 ?-999 ?-999 ? C2 PEG J 2 mILE^J 132 38.77 41.23 33.94 39.46 41.93 34.12 36.86 42.66 33.57 37.51 43.70 33.62 37.38 41.42 34.24 37.15 41.52 35.75 3 0 13.21-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^J 133 35.70 42.55 32.94 35.34 41.62 32.94 34.02 44.22 33.31 33.30 43.44 33.97 35.03 43.68 32.32 34.30 43.27 31.05 3 0 11.87-999 ?-999 ?-999 ? C2 PEG J 2 mGLY^J 134 33.97 45.52 33.46 34.63 46.02 32.90 32.56 47.53 33.91 33.16 48.13 33.05 33.01 46.14 34.37-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^J 135 31.50 48.02 34.52 31.13 47.42 35.24 31.18 50.29 35.31 31.03 49.93 36.49 30.93 49.31 34.19 29.44 49.18 34.03 2 0 13.90-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~J 136 31.58 51.50 34.94 31.68 51.62 33.96 30.53 53.26 36.27 29.87 53.80 35.37 31.83 52.54 35.94 32.80 53.61 35.37 3 0 14.21-999 ?-999 ?-999 ? C2 PEG J 2 mHIS~J 137 30.14 53.25 37.53 30.71 52.67 38.12 29.60 55.17 38.75 30.80 55.33 38.79 28.99 54.00 38.00 28.10 53.14 38.90 3 0 17.85-999 ?-999 ?-999 ? O1 PEG J 2 mGLN~J 138 28.76 56.00 39.37 27.81 55.70 39.34 30.11 56.93 41.22 29.75 56.18 42.13 29.21 57.22 40.02 28.00 58.08 40.43 2 0 19.66-999 ?-999 ?-999 ? C1 PEG J 2 mVAL~J 139 31.31 57.50 41.20 31.49 58.04 40.38 32.02 58.43 43.34 32.23 59.62 43.06 32.25 57.32 42.29 33.69 57.38 41.73 3 0 19.63-999 ?-999 ?-999 ? C1 PEG J 2 mGLN~J 140 31.53 58.05 44.52 31.32 57.08 44.57 31.88 58.41 46.88 31.88 57.23 46.98 31.33 59.01 45.63 29.87 59.31 45.87 2 0 23.31-999 ?-999 ?-999 ? C1 PEG J 2 mASP~J 141 32.34 59.23 47.82 32.27 60.19 47.57 34.10 57.81 48.94 34.39 56.98 49.80 32.88 58.74 49.11 31.79 58.08 49.93 2 0 25.56-999 ?-999 ?-999 ? C2 PEG J 2 mSER~J 142 34.79 57.98 47.83 34.39 58.68 47.24 36.64 57.93 46.33 36.01 58.76 45.70 35.99 57.23 47.50 35.66 55.78 47.13 2 0 22.53-999 ?-999 ?-999 ? C3 PEG J 2 mTHR~J 143 37.88 57.60 46.04 38.29 56.92 46.66 38.81 57.12 43.86 39.31 57.42 42.79 38.57 58.17 44.92 39.90 58.75 45.35 2 0 19.62-999 ?-999 ?-999 ? C3 PEG J 2 mILE~J 144 38.45 55.88 44.13 38.02 55.78 45.03 37.34 54.10 42.96 36.60 53.88 43.88 38.67 54.78 43.20 39.58 53.72 43.82 3 0 17.09-999 ?-999 ?-999 ? C3 PEG J 2 mPRO~J 145 37.04 53.75 41.73 37.72 53.92 41.02 35.68 51.68 41.85 36.71 51.00 41.84 35.74 53.15 41.53 35.50 53.35 40.03 3 0 16.42-999 ?-999 ?-999 ? C2 PEG J 2 mTHR^J 146 34.49 51.24 42.22 33.82 51.96 42.39 33.38 49.54 41.10 32.30 50.10 40.94 34.19 49.81 42.37 33.31 49.56 43.55 2 0 17.75-999 ?-999 ?-999 ? C2 PEG J 2 mLEU^J 147 33.91 48.74 40.19 34.80 48.35 40.43 31.95 47.62 39.20 31.94 46.79 40.09 33.20 48.48 38.95 34.13 47.86 37.90 3 0 15.58-999 ?-999 ?-999 ? C2 PEG J 2 mGLN^J 148 30.90 47.85 38.42 31.06 48.56 37.73 29.35 46.22 37.41 30.00 46.32 36.36 29.63 47.14 38.58 28.51 48.16 38.65 2 0 17.94-999 ?-999 ?-999 ? C2 PEG J 2 mASN^J 149 28.35 45.36 37.60 27.94 45.44 38.50 29.03 43.74 35.88 29.07 43.74 34.66 27.90 44.39 36.60 26.99 45.04 35.56 2 0 18.86-999 ?-999 ?-999 ? C2 PEG J 2 mPRO^J 150 29.96 43.14 36.61 29.80 43.05 37.59 31.01 41.27 35.30 30.13 40.51 35.68 31.13 42.68 35.89 32.21 42.75 36.95 3 0 16.83-999 ?-999 ?-999 ? C2 PEG J 2 mLYS^J 151 31.90 40.97 34.35 32.52 41.72 34.12 33.43 39.26 33.63 34.28 40.04 33.19 31.95 39.67 33.72 31.31 39.72 32.33 2 0 17.01-999 ?-999 ?-999 ? C2 PEG J 2 mVAL^J 152 33.73 38.05 34.08 32.97 37.52 34.45 35.33 37.10 32.58 34.51 36.37 32.02 35.09 37.56 34.03 35.34 36.42 35.05 3 0 16.99-999 ?-999 ?-999 ? C2 PEG J 2 mVAL~J 153 36.42 37.58 31.99 36.98 38.19 32.56 37.63 36.01 30.61 38.77 36.05 31.05 36.76 37.25 30.62 37.48 38.40 29.94 3 0 15.40-999 ?-999 ?-999 ? C2 PEG J 2 mLYS~J 154 37.07 34.92 30.07 36.16 35.08 29.69 38.76 33.46 28.92 39.21 32.33 28.65 37.73 33.60 30.05 36.68 32.48 29.92 2 0 18.34-999 ?-999 ?-999 ? C2 PEG J 2