HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-OCT-09 3KGZ COMPND CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 20-165; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; SOURCE 3 ORGANISM_TAXID: 395960; SOURCE 4 STRAIN: TIE-1; SOURCE 5 GENE: RPAL_2463; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,J.DO,R.ROMERO,S.WASSERMAN,J.M.SAUDER, AUTHOR 2 S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL AUTHOR 3 GENOMICS (NYSGXRC) HET MN A 1 1 HET MN B 2 1 SITE 1 AC1 6 GLU A 76 HIS A 78 HIS A 82 HIS A 116 SITE 1 AC2 6 GLU B 76 HIS B 78 HIS B 82 HIS B 116 mSER.A 18 22.33 39.33 7.48 21.54 38.82 7.14 23.22 40.61 9.41 22.05 40.89 9.73 23.52 40.09 8.00 23.82 41.28 7.09 2 0 14.54-999 ?-999 ?-999 ? MN MN B 2 mLEU^A 19 24.25 40.69 10.24 25.09 40.31 9.87 25.18 42.37 11.74 26.36 42.16 11.46 24.14 41.28 11.57 24.38 40.22 12.65 3 0 15.93-999 ?-999 ?-999 ? MN MN B 2 mARG^A 20 24.74 43.51 12.23 23.74 43.58 12.29 25.22 44.94 14.06 24.19 45.58 14.32 25.64 44.58 12.63 25.52 45.75 11.66 2 0 18.65-999 ?-999 ?-999 ? MN MN B 2 mALA.A 21 26.01 44.50 15.02 26.87 44.08 14.72 25.77 46.05 16.93 26.70 46.74 16.52 25.62 44.63 16.42 26.44 43.64 17.29 2 0 20.01-999 ?-999 ?-999 ? MN MN B 2 mGLN^A 22 24.89 46.51 17.81 24.10 45.92 17.98 26.36 47.64 19.35 26.53 46.61 20.01 25.12 47.80 18.46 23.89 48.32 19.25 2 0 21.95-999 ?-999 ?-999 ? MN MN B 2 mTHR^A 23 27.22 48.65 19.34 26.95 49.40 18.75 28.43 49.64 21.29 29.15 49.46 22.30 28.44 48.62 20.15 29.69 48.80 19.29 2 0 25.61-999 ?-999 ?-999 ? MN MN B 2 mALA^A 24 27.61 50.68 21.14 27.16 50.68 20.24 26.10 52.42 21.75 25.61 52.17 20.65 27.38 51.71 22.16 28.55 52.67 22.17 2 0 25.78-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 25 25.53 53.30 22.60 25.94 53.40 23.51 24.65 54.83 20.85 25.57 55.61 20.81 24.35 54.04 22.12 24.04 55.01 23.28 3 0 22.86-999 ?-999 ?-999 ? MN MN A 1 mGLY.A 26 23.86 54.59 19.81 23.15 53.91 19.97 25.28 54.85 17.77 25.74 55.60 16.89 24.05 55.29 18.55-999.99-999.99-999.99 1 0 19.71-999 ?-999 ?-999 ? MN MN A 1 mARG^A 27 25.80 53.65 18.05 25.33 53.17 18.79 26.82 51.65 17.03 26.37 50.90 17.87 26.96 53.12 17.33 28.25 53.37 18.12 2 0 22.05-999 ?-999 ?-999 ? MN MN A 1 mTRP^A 28 27.24 51.24 15.83 27.63 51.97 15.26 28.41 49.42 14.67 29.08 50.17 13.96 27.13 49.88 15.37 25.94 49.69 14.44 3 0 23.24-999 ?-999 ?-999 ? MN MN B 2 mASP.A 29 28.74 48.17 14.89 28.17 47.75 15.59 29.50 47.49 12.70 28.43 47.07 12.27 29.82 47.47 14.18 29.89 46.04 14.65 2 0 23.90-999 ?-999 ?-999 ? MN MN B 2 mGLY.A 30 30.44 47.99 11.94 31.23 48.32 12.46 29.46 49.17 9.97 29.05 49.14 8.79 30.32 48.04 10.49-999.99-999.99-999.99 1 0 23.85-999 ?-999 ?-999 ? MN MN B 2 mVAL.A 31 29.18 50.17 10.83 29.51 50.04 11.76 29.31 52.56 10.70 29.75 52.73 11.86 28.46 51.35 10.40 27.05 51.50 11.06 3 0 21.92-999 ?-999 ?-999 ? MN MN A 1 mALA.A 32 29.55 53.39 9.68 29.12 53.10 8.83 29.55 55.81 10.21 28.51 56.09 9.65 30.36 54.61 9.83 31.18 54.94 8.52 2 0 21.20-999 ?-999 ?-999 ? MN MN A 1 mVAL.A 33 30.07 56.55 11.18 30.87 56.16 11.63 29.93 58.86 10.49 31.13 58.98 10.23 29.50 57.82 11.53 29.93 58.22 12.98 3 0 19.17-999 ?-999 ?-999 ? MN MN A 1 mMET^A 34 28.98 59.58 9.90 28.07 59.38 10.26 28.80 61.99 9.28 27.66 62.39 9.06 29.25 60.58 8.84 28.50 60.22 7.52 2 0 17.30-999 ?-999 ?-999 ? MN MN A 1 mPRO^A 35 29.71 62.77 9.91 30.62 62.38 10.07 28.92 64.95 9.07 29.53 64.81 8.02 29.28 64.11 10.29 30.51 64.69 11.03 3 0 16.70-999 ?-999 ?-999 ? MN MN A 1 mTYR.A 36 27.89 65.78 9.20 27.34 65.62 10.02 28.69 67.88 8.39 28.91 68.36 9.51 27.60 66.82 8.22 26.21 67.44 8.45 3 0 14.52-999 ?-999 ?-999 ? MN MN A 1 mLYS.A 37 29.42 68.21 7.32 29.18 67.74 6.47 29.92 70.61 7.68 29.09 71.11 6.93 30.49 69.22 7.46 31.50 69.22 6.30 2 0 17.53-999 ?-999 ?-999 ? MN MN A 1 mGLN.A 38 30.41 71.22 8.75 31.21 70.75 9.12 30.42 73.71 8.65 31.56 74.10 8.90 29.86 72.43 9.33 30.27 72.38 10.82 2 0 17.89-999 ?-999 ?-999 ? MN MN A 1 mTHR.A 39 29.64 74.35 7.80 28.77 73.90 7.60 29.65 76.79 8.14 28.93 76.58 9.14 30.08 75.64 7.22 29.60 75.82 5.75 2 0 19.18-999 ?-999 ?-999 ? MN MN A 1 mALA.A 40 30.14 78.00 7.84 30.78 78.01 7.07 28.27 79.44 8.37 27.55 79.83 9.31 29.74 79.19 8.59 30.56 80.43 8.11 2 0 20.91-999 ?-999 ?-999 ? MN MN A 1 mGLU.A 41 27.83 79.21 7.13 28.53 78.85 6.52 25.55 78.25 6.80 24.42 78.29 6.36 26.47 79.48 6.71 26.47 79.99 5.27 2 0 18.51-999 ?-999 ?-999 ? MN MN A 1 mALA.A 42 26.05 77.15 7.35 26.99 77.25 7.66 23.99 76.17 8.30 24.06 76.76 9.38 25.26 75.92 7.49 26.12 74.82 8.16 2 0 15.29-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 43 22.83 75.69 7.81 22.90 75.25 6.91 21.33 74.74 9.63 20.24 74.62 10.16 21.56 75.84 8.57 20.49 75.77 7.47 3 0 12.63-999 ?-999 ?-999 ? MN MN A 1 mPHE.A 44 22.37 73.98 9.93 23.18 74.17 9.37 23.57 73.16 11.86 24.47 73.94 11.52 22.35 72.96 10.97 22.43 71.56 10.38 3 0 11.99-999 ?-999 ?-999 ? MN MN A 1 mGLN^A 45 23.59 72.45 12.97 22.77 71.90 13.12 24.98 71.15 14.58 24.09 70.64 15.26 24.72 72.49 13.88 24.48 73.57 14.93 2 0 14.86-999 ?-999 ?-999 ? MN MN A 1 mASP^A 46 26.20 70.63 14.41 26.74 71.13 13.74 25.81 68.23 14.95 25.33 67.65 15.93 26.72 69.46 15.12 26.94 69.77 16.61 2 0 16.25-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 47 25.59 67.85 13.70 26.06 68.42 13.02 25.55 65.68 12.55 26.44 66.04 11.75 24.74 66.71 13.35 23.50 67.18 12.55 3 0 13.38-999 ?-999 ?-999 ? MN MN A 1 mSER^A 48 25.26 64.41 12.78 24.62 64.28 13.54 24.68 62.36 11.61 23.58 62.42 12.15 25.80 63.31 12.00 26.88 62.58 12.78 2 0 14.11-999 ?-999 ?-999 ? MN MN A 1 mARG^A 49 24.97 61.52 10.62 25.91 61.58 10.28 24.74 59.30 9.89 25.95 59.28 9.61 24.00 60.60 10.08 23.44 61.08 8.73 2 0 12.85-999 ?-999 ?-999 ? MN MN A 1 mGLN^A 50 24.02 58.22 10.07 23.10 58.40 10.42 23.47 56.26 8.95 22.27 56.45 9.18 24.52 56.92 9.78 24.76 56.13 11.09 2 0 15.24-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 51 23.92 55.47 7.98 24.91 55.43 7.89 22.83 53.33 7.70 23.77 52.53 7.74 22.99 54.74 7.13 23.51 54.71 5.68 3 0 15.40-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 52 21.64 53.05 8.20 20.98 53.79 8.15 20.91 50.74 7.72 21.46 49.64 7.61 21.37 51.74 8.77 20.38 51.84 9.91 3 0 17.10-999 ?-999 ?-999 ? MN MN A 1 mPHE^A 53 19.97 51.15 6.89 19.65 52.09 7.02 19.19 50.97 4.58 18.54 52.00 4.59 19.49 50.22 5.86 18.21 49.51 6.25 3 0 16.61-999 ?-999 ?-999 ? MN MN B 2 mALA.A 54 19.71 50.45 3.47 20.37 49.72 3.65 19.60 49.72 1.24 20.56 49.00 1.45 19.31 50.93 2.11 20.08 52.18 1.67 2 0 17.41-999 ?-999 ?-999 ? MN MN A 1 mASP.A 55 18.69 49.40 0.35 17.93 50.04 0.29 17.95 48.39 -1.68 16.89 49.01 -1.59 18.83 48.21 -0.46 18.41 46.96 0.32 2 0 16.62-999 ?-999 ?-999 ? MN MN B 2 mPRO.A 56 18.36 47.83 -2.83 19.25 47.36 -2.80 16.10 47.42 -3.81 15.16 47.90 -4.47 17.51 47.95 -4.02 18.22 47.06 -5.07 3 0 17.80-999 ?-999 ?-999 ? MN MN B 2 mASN.A 57 15.95 46.43 -2.93 16.79 46.16 -2.47 13.89 46.39 -1.52 12.86 45.84 -1.15 14.67 45.81 -2.70 14.84 44.30 -2.50 2 0 14.42-999 ?-999 ?-999 ? MN MN B 2 mLEU.A 58 14.40 47.45 -0.91 15.29 47.72 -1.27 13.23 49.49 -0.30 14.06 50.25 -0.79 13.66 48.13 0.19 14.58 48.28 1.40 3 0 13.87-999 ?-999 ?-999 ? MN MN B 2 mALA.A 59 11.93 49.79 -0.22 11.38 49.11 0.26 11.76 52.28 0.01 11.51 53.36 -0.44 11.39 51.03 -0.80 9.88 50.92 -0.93 2 0 16.27-999 ?-999 ?-999 ? MN MN B 2 mCYH^A 60 12.28 52.12 1.24 12.38 51.16 1.51 14.12 53.15 2.53 14.76 52.10 2.34 12.65 53.24 2.10 11.75 53.28 3.35 2 0 14.11-999 ?-999 ?-999 ? MN MN A 1 mGLU^A 61 14.65 54.25 3.05 14.04 55.04 3.01 15.84 54.60 5.14 15.00 55.37 5.55 16.00 54.33 3.63 16.85 55.43 2.98 2 0 12.94-999 ?-999 ?-999 ? MN MN A 1 mTRP^A 62 16.65 53.92 5.94 17.32 53.36 5.46 17.89 54.53 7.88 18.91 53.92 7.62 16.52 54.02 7.40 16.20 52.65 7.91 3 0 13.03-999 ?-999 ?-999 ? MN MN A 1 mARG^A 63 17.89 55.70 8.49 16.98 56.11 8.59 18.94 56.61 10.47 17.86 56.53 11.06 19.07 56.34 8.98 19.26 57.67 8.26 2 0 12.06-999 ?-999 ?-999 ? MN MN A 1 mTYR^A 64 20.08 56.89 11.06 20.88 56.72 10.48 20.88 58.72 12.42 21.99 58.84 11.88 20.16 57.40 12.44 20.88 56.39 13.35 3 0 12.93-999 ?-999 ?-999 ? MN MN A 1 mPHE^A 65 20.23 59.73 12.98 19.37 59.47 13.41 21.08 61.35 14.42 20.32 60.96 15.32 20.74 61.08 12.99 19.69 62.06 12.53 3 0 11.32-999 ?-999 ?-999 ? MN MN A 1 mGLU^A 66 22.25 61.92 14.65 22.80 62.07 13.83 23.03 63.79 16.04 23.88 64.25 15.28 22.67 62.29 16.00 23.84 61.46 16.44 2 0 14.03-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 67 22.39 64.51 16.95 21.77 63.97 17.52 23.32 66.07 18.43 22.82 65.64 19.48 22.56 65.94 17.11 21.19 66.65 17.18 3 0 14.09-999 ?-999 ?-999 ? MN MN A 1 mASP^A 68 24.54 66.60 18.39 24.88 66.86 17.49 24.52 67.75 20.52 23.73 68.58 20.04 25.29 66.75 19.65 26.70 67.30 19.44 2 0 17.79-999 ?-999 ?-999 ? MN MN A 1 mGLU^A 69 24.77 67.67 21.82 25.35 66.91 22.08 24.34 70.08 22.25 25.45 70.51 21.88 24.20 68.64 22.76 24.90 68.47 24.12 2 0 19.65-999 ?-999 ?-999 ? MN MN A 1 mGLY^A 70 23.23 70.81 22.21 22.42 70.30 22.52 23.00 72.39 20.24 22.84 73.50 19.75 23.16 72.21 21.77-999.99-999.99-999.99 1 0 18.99-999 ?-999 ?-999 ? MN MN A 1 mGLY^A 71 23.03 71.30 19.48 23.14 70.44 19.98 21.47 71.37 17.58 20.52 71.33 18.39 22.91 71.39 18.03-999.99-999.99-999.99 1 0 15.76-999 ?-999 ?-999 ? MN MN A 1 mTYR^A 72 21.30 71.36 16.26 22.14 71.42 15.72 20.07 70.77 14.25 21.12 70.94 13.60 19.98 71.28 15.67 19.27 72.63 15.69 3 0 12.26-999 ?-999 ?-999 ? MN MN A 1 mSER.A 73 18.98 70.16 13.78 18.26 70.00 14.46 18.37 70.97 11.57 17.94 71.96 12.16 18.88 69.76 12.36 17.93 68.57 12.22 2 0 8.69-999 ?-999 ?-999 ? MN MN A 1 mTHR.A 74 18.37 70.89 10.25 18.63 70.00 9.86 16.46 72.24 9.45 15.69 71.28 9.36 17.98 72.07 9.50 18.70 72.19 8.11 2 0 7.84-999 ?-999 ?-999 ? MN MN A 1 mLEU.A 75 16.02 73.48 9.64 16.73 74.13 9.89 14.29 73.74 7.98 14.92 74.43 7.14 14.63 73.83 9.48 14.40 75.23 9.98 3 0 7.92-999 ?-999 ?-999 ? MN MN A 1 mGLU.A 76 13.32 72.89 7.66 12.84 72.49 8.45 11.61 71.99 6.12 10.97 71.66 7.11 13.00 72.59 6.27 14.04 71.62 5.71 2 0 -6.01-999 ?-999 ?-999 ? MN MN A 1s mARG.A 77 11.16 71.83 4.85 11.71 72.28 4.14 10.10 70.50 3.17 11.01 70.86 2.41 9.97 71.07 4.55 8.66 71.88 4.68 2 0 5.87-999 ?-999 ?-999 ? MN MN A 1 mHIS.A 78 9.23 69.56 2.89 8.54 69.43 3.61 8.00 67.99 1.61 7.39 67.79 2.65 9.27 68.79 1.64 10.51 67.88 1.60 3 0 -6.69-999 ?-999 ?-999 ? MN MN A 1s mALA.A 79 7.57 67.58 0.42 8.12 67.89 -0.36 6.54 65.39 0.96 5.57 64.86 1.53 6.40 66.74 0.26 6.09 66.54 -1.21 2 0 9.29-999 ?-999 ?-999 ? MN MN A 1 mHIS.A 80 7.75 64.84 0.95 8.46 65.41 0.54 7.79 63.53 3.05 8.14 64.50 3.72 7.95 63.51 1.51 9.28 62.90 1.05 3 0 7.92-999 ?-999 ?-999 ? MN MN A 1 mVAL.A 81 7.24 62.43 3.59 7.02 61.70 2.94 8.20 61.73 5.77 9.05 61.09 5.15 6.99 62.34 5.04 5.67 61.54 5.36 3 0 7.67-999 ?-999 ?-999 ? MN MN A 1 mHIS^A 82 8.26 61.95 7.09 7.56 62.59 7.43 8.56 60.48 9.03 7.64 60.95 9.69 9.24 61.34 7.96 9.98 62.38 8.79 3 0 -6.70-999 ?-999 ?-999 ? MN MN A 1s mALA^A 83 9.07 59.28 9.22 9.69 59.00 8.49 10.00 58.45 11.24 11.08 58.05 10.81 8.75 58.45 10.38 8.35 57.03 9.95 2 0 10.00-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 84 9.85 59.00 12.44 8.90 59.27 12.63 10.69 58.48 14.73 9.57 58.51 15.24 10.96 59.19 13.40 11.23 60.67 13.64 3 0 10.29-999 ?-999 ?-999 ? MN MN A 1 mMET^A 85 11.72 57.80 15.23 12.51 57.75 14.62 12.95 57.67 17.29 14.07 57.53 16.83 11.71 57.20 16.56 11.66 55.66 16.52 2 0 13.76-999 ?-999 ?-999 ? MN MN A 1 mILE^A 86 12.74 58.31 18.44 11.78 58.45 18.69 14.66 57.53 19.75 14.11 56.56 20.31 13.87 58.74 19.23 13.46 59.70 20.37 3 0 14.88-999 ?-999 ?-999 ? MN MN A 1 mHIS^A 87 15.97 57.57 19.56 16.29 58.42 19.15 17.75 56.75 21.11 18.12 55.83 21.81 16.85 56.45 19.92 17.73 56.11 18.74 3 0 17.13-999 ?-999 ?-999 ? MN MN A 1 mARG^A 88 18.19 57.99 21.26 17.78 58.65 20.63 18.90 59.72 22.82 18.49 60.60 22.08 19.19 58.33 22.30 20.59 58.26 21.68 2 0 18.72-999 ?-999 ?-999 ? MN MN A 1 mGLY^A 89 19.13 59.92 24.12 19.41 59.11 24.63 17.58 61.82 24.66 16.58 61.09 24.65 18.97 61.24 24.72-999.99-999.99-999.99 1 0 19.74-999 ?-999 ?-999 ? MN MN A 1 mHIS^A 90 17.51 63.16 24.64 18.40 63.61 24.64 16.43 65.31 24.18 17.56 65.78 24.04 16.24 63.87 24.62 15.53 63.73 25.97 3 0 18.47-999 ?-999 ?-999 ? MN MN A 1 mGLY^A 91 15.34 65.99 23.88 14.50 65.55 24.19 14.01 67.79 22.83 13.03 67.48 23.52 15.38 67.26 23.14-999.99-999.99-999.99 1 0 16.68-999 ?-999 ?-999 ? MN MN A 1 mGLN^A 92 13.89 68.56 21.75 14.75 68.74 21.27 12.51 69.06 19.85 13.54 69.12 19.17 12.61 69.09 21.34 12.42 70.55 21.82 2 0 14.94-999 ?-999 ?-999 ? MN MN A 1 mCYH^A 93 11.29 69.01 19.35 10.55 68.83 19.99 9.95 70.18 17.66 8.99 70.29 18.43 11.08 69.22 17.95 10.81 67.89 17.25 2 0 11.82-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 94 10.09 70.84 16.52 10.99 70.74 16.10 8.48 70.81 14.78 9.21 70.41 13.89 9.04 71.62 15.94 9.59 72.94 15.39 3 0 11.36-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 95 7.18 70.56 14.81 6.72 70.83 15.66 5.29 70.84 13.39 4.35 70.89 14.18 6.49 69.95 13.69 6.06 68.50 13.99 3 0 10.29-999 ?-999 ?-999 ? MN MN A 1 mGLY.A 96 5.34 71.56 12.28 6.15 71.40 11.72 4.24 73.69 12.86 5.09 74.56 12.75 4.27 72.49 11.92-999.99-999.99-999.99 1 0 11.92-999 ?-999 ?-999 ? MN MN A 1 mGLU.A 97 3.27 73.71 13.76 2.65 72.93 13.69 3.27 74.25 16.19 3.05 74.99 17.16 3.12 74.79 14.77 1.74 75.49 14.64 2 0 15.32-999 ?-999 ?-999 ? MN MN A 1 mTHR^A 98 3.67 72.99 16.32 3.94 72.55 15.46 5.13 72.07 18.06 5.91 71.45 17.33 3.70 72.33 17.62 2.93 70.99 17.56 2 0 15.61-999 ?-999 ?-999 ? MN MN A 1 mILE^A 99 5.50 72.54 19.25 4.81 73.10 19.71 6.63 71.20 20.88 5.83 71.42 21.78 6.82 72.25 19.80 7.52 73.49 20.38 3 0 15.68-999 ?-999 ?-999 ? MN MN A 1 mSER^A 100 7.30 70.06 20.76 7.90 70.03 19.96 8.47 68.58 22.32 9.54 68.71 21.69 7.15 68.95 21.70 6.57 67.68 21.03 2 0 16.41-999 ?-999 ?-999 ? MN MN A 1 mASP^A 101 8.37 68.10 23.55 7.49 68.28 23.99 9.52 65.96 23.63 8.50 65.30 23.49 9.44 67.38 24.20 9.15 67.24 25.70 2 0 18.00-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 102 10.74 65.48 23.37 11.48 66.13 23.57 12.02 63.41 23.62 13.02 64.03 24.03 10.94 64.12 22.85 11.28 64.11 21.33 3 0 16.57-999 ?-999 ?-999 ? MN MN A 1 mALA^A 103 11.80 62.12 23.84 10.97 61.77 23.41 12.78 59.90 24.04 12.00 59.59 23.14 12.70 61.29 24.65 12.18 61.20 26.10 2 0 18.80-999 ?-999 ?-999 ? MN MN A 1 mGLN.A 104 13.69 59.07 24.55 14.19 59.44 25.33 12.68 56.88 23.76 11.84 56.64 24.68 13.93 57.72 24.02 14.89 56.92 24.90 2 0 19.55-999 ?-999 ?-999 ? MN MN A 1 mGLY.A 105 12.54 56.46 22.50 13.27 56.73 21.87 10.20 56.38 21.52 9.37 55.71 20.87 11.40 55.66 22.10-999.99-999.99-999.99 1 0 19.04-999 ?-999 ?-999 ? MN MN A 1 mASP.A 106 10.11 57.70 21.69 10.89 58.11 22.16 8.85 58.40 19.68 9.87 58.46 18.99 8.96 58.46 21.21 9.03 59.92 21.64 2 0 17.23-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 107 7.63 58.31 19.19 6.91 58.32 19.89 6.91 59.59 17.27 5.93 60.13 17.80 7.37 58.23 17.75 6.26 57.22 17.49 3 0 15.09-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 108 7.56 60.12 16.26 8.35 59.59 15.95 6.86 61.12 14.16 7.68 60.55 13.46 7.14 61.37 15.65 8.22 62.46 15.78 3 0 12.05-999 ?-999 ?-999 ? MN MN A 1 mPHE^A 109 5.72 61.59 13.70 5.13 61.97 14.41 5.30 62.94 11.74 4.64 63.81 12.35 5.37 61.55 12.28 4.05 60.88 12.07 3 0 10.88-999 ?-999 ?-999 ? MN MN A 1 mILE^A 110 5.99 63.19 10.64 6.50 62.40 10.30 5.30 64.44 8.67 5.81 63.82 7.73 6.00 64.51 10.01 7.42 65.07 9.80 3 0 8.21-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 111 4.12 65.08 8.56 3.83 65.60 9.36 3.85 65.94 6.23 4.79 66.69 6.44 3.35 65.01 7.35 1.93 65.36 7.83 3 0 9.98-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 112 3.29 65.82 5.01 2.49 65.21 4.96 3.87 68.03 4.03 2.94 68.57 4.61 3.84 66.53 3.85 2.87 66.17 2.73 3 0 9.74-999 ?-999 ?-999 ? MN MN A 1 mMET.A 113 4.93 68.64 3.53 5.64 67.99 3.26 4.82 70.83 4.65 4.09 71.78 4.69 5.09 70.12 3.37 4.23 70.70 2.23 2 0 9.40-999 ?-999 ?-999 ? MN MN A 1 mTHR.A 114 5.45 70.31 5.71 6.08 69.57 5.47 6.64 71.09 7.63 7.56 70.25 7.61 5.27 70.75 7.07 4.67 69.63 7.88 2 0 8.94-999 ?-999 ?-999 ? MN MN A 1 mTRP.A 115 6.80 72.34 8.06 5.97 72.89 7.97 8.48 72.01 9.85 7.66 71.69 10.67 8.07 72.84 8.60 7.95 74.34 8.93 3 0 8.31-999 ?-999 ?-999 ? MN MN A 1 mHIS^A 116 9.76 71.65 9.93 10.33 71.93 9.16 11.72 71.10 11.34 12.52 71.33 10.44 10.26 70.89 11.05 10.00 69.37 10.86 3 0 -6.83-999 ?-999 ?-999 ? MN MN A 1s mGLN^A 117 12.06 70.93 12.61 11.29 70.72 13.21 13.50 70.32 14.46 12.55 70.35 15.23 13.40 71.05 13.11 13.75 72.54 13.29 2 0 7.88-999 ?-999 ?-999 ? MN MN A 1 mPHE^A 118 14.63 69.67 14.72 15.28 69.69 13.96 16.06 69.74 16.64 17.05 70.10 15.99 14.92 69.00 15.98 15.38 67.54 15.76 3 0 9.83-999 ?-999 ?-999 ? MN MN A 1 mARG^A 119 15.96 69.89 17.95 15.14 69.48 18.35 17.38 69.75 19.91 16.52 69.22 20.60 16.99 70.58 18.73 16.47 71.95 19.24 2 0 13.31-999 ?-999 ?-999 ? MN MN A 1 mALA.A 120 18.68 69.62 20.12 19.25 69.99 19.39 19.41 70.12 22.35 20.54 70.42 22.78 19.23 69.00 21.30 20.57 68.36 20.99 2 0 16.07-999 ?-999 ?-999 ? MN MN A 1 mASN.A 121 18.30 70.71 22.74 17.47 70.28 22.39 17.90 71.57 25.03 17.34 72.41 25.72 18.30 71.89 23.61 17.36 72.94 23.03 2 0 18.52-999 ?-999 ?-999 ? MN MN A 1 mARG.A 122 18.16 70.34 25.48 18.64 69.75 24.82 18.84 69.23 27.66 18.55 68.44 28.56 17.75 69.93 26.84 16.48 69.08 26.77 2 0 21.00-999 ?-999 ?-999 ? MN MN A 1 mGLY.A 123 20.10 69.54 27.37 20.21 70.08 26.53 21.91 67.89 27.76 22.89 67.50 28.40 21.20 69.12 28.20-999.99-999.99-999.99 1 0 23.16-999 ?-999 ?-999 ? MN MN A 1 mASP.A 124 21.43 67.26 26.68 20.71 67.75 26.20 22.05 66.00 24.72 21.59 66.96 24.08 21.93 65.97 26.24 20.92 64.89 26.65 2 0 21.49-999 ?-999 ?-999 ? MN MN A 1 mCYH.A 125 22.66 64.97 24.16 23.15 64.37 24.80 21.23 64.23 22.44 20.49 63.85 23.35 22.61 64.75 22.73 23.68 63.76 22.27 2 0 18.77-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 126 20.85 64.26 21.17 21.51 64.67 20.54 19.85 62.92 19.53 20.32 63.47 18.55 19.58 63.72 20.76 18.61 64.84 20.42 3 0 15.79-999 ?-999 ?-999 ? MN MN A 1 mGLY^A 127 19.58 61.62 19.61 19.29 61.33 20.52 18.36 60.15 18.03 17.56 59.76 18.89 19.70 60.72 18.44-999.99-999.99-999.99 1 0 14.72-999 ?-999 ?-999 ? MN MN A 1 mPHE^A 128 18.11 60.05 16.73 18.84 60.36 16.12 16.93 58.72 15.00 17.78 59.01 14.17 16.82 59.52 16.28 15.77 60.62 16.15 3 0 12.51-999 ?-999 ?-999 ? MN MN A 1 mLEU^A 129 16.09 57.71 14.91 15.56 57.56 15.76 15.01 57.66 12.80 14.04 58.25 13.25 15.93 56.89 13.72 15.30 55.54 14.06 3 0 12.34-999 ?-999 ?-999 ? MN MN A 1 mCYH^A 130 15.28 57.60 11.49 16.07 57.04 11.23 14.29 57.40 9.33 15.30 56.97 8.78 14.48 58.32 10.54 15.22 59.58 10.13 2 0 9.25-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 131 13.04 57.10 8.98 12.36 57.48 9.61 11.98 57.24 6.80 11.05 57.97 7.14 12.68 56.32 7.83 11.82 55.10 8.22 3 0 10.36-999 ?-999 ?-999 ? MN MN A 1 mVAL^A 132 12.47 57.21 5.56 13.25 56.59 5.46 11.91 57.21 3.18 12.69 56.28 3.03 11.90 58.03 4.46 12.69 59.31 4.19 3 0 8.93-999 ?-999 ?-999 ? MN MN A 1 mASN^A 133 11.07 57.58 2.22 10.46 58.33 2.47 12.41 57.01 0.22 13.05 58.06 0.29 11.07 56.88 0.93 10.01 57.47 0.01 2 0 11.45-999 ?-999 ?-999 ? MN MN A 1 mALA.A 134 12.80 55.95 -0.48 12.17 55.18 -0.44 14.03 57.02 -2.35 15.01 57.69 -2.60 14.06 55.97 -1.23 14.36 54.56 -1.80 2 0 13.24-999 ?-999 ?-999 ? MN MN A 1 mALA.A 135 12.88 57.13 -2.99 12.19 56.48 -2.66 11.78 59.15 -3.40 10.64 58.86 -2.99 12.62 58.10 -4.05 11.85 57.44 -5.16 2 0 13.65-999 ?-999 ?-999 ? MN MN A 1 mARG.A 136 12.34 60.35 -3.26 13.23 60.44 -3.69 12.09 62.75 -3.06 13.08 62.84 -3.79 11.67 61.42 -2.53 11.98 61.36 -1.03 2 0 10.62-999 ?-999 ?-999 ? MN MN A 1 mASP.A 137 11.38 63.80 -2.67 10.64 63.60 -2.02 12.75 65.78 -2.30 12.96 65.39 -1.16 11.70 65.13 -3.18 10.47 66.03 -3.33 2 0 10.02-999 ?-999 ?-999 ? MN MN A 1 mARG.A 138 13.40 66.81 -2.82 13.08 67.10 -3.72 13.96 68.38 -0.99 12.90 69.00 -1.16 14.49 67.44 -2.06 15.45 68.17 -3.03 2 0 8.82-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 139 14.69 68.53 0.12 15.52 67.97 0.18 14.21 70.88 0.62 15.08 71.25 -0.20 14.25 69.47 1.13 15.33 69.39 2.20 3 0 6.29-999 ?-999 ?-999 ? MN MN A 1 mGLN.A 140 13.26 71.65 1.13 12.66 71.16 1.76 13.47 73.88 2.07 12.91 73.64 3.16 13.10 73.07 0.83 11.65 73.38 0.46 2 0 8.68-999 ?-999 ?-999 ? MN MN A 1 mLEU.A 141 14.40 74.81 1.91 14.77 74.87 0.99 14.02 76.95 3.01 13.48 77.36 1.96 14.84 75.65 3.01 16.34 75.93 2.88 3 0 9.90-999 ?-999 ?-999 ? MN MN A 1 mPRO.A 142 13.89 77.59 4.19 14.43 77.23 4.95 13.52 79.98 3.58 14.72 80.27 3.64 13.00 78.73 4.29 12.87 78.95 5.80 3 0 12.36-999 ?-999 ?-999 ? MN MN A 1 mTHR~A 143 12.65 80.69 2.87 11.76 80.25 2.77 12.78 83.07 3.37 12.24 82.78 4.43 13.00 82.01 2.30 12.14 82.37 1.07 2 0 16.01-999 ?-999 ?-999 ? MN MN A 1 mALA~A 144 13.18 84.32 3.10 13.61 84.43 2.21 11.48 85.52 4.42 11.12 85.72 5.58 12.98 85.39 4.08 13.52 86.72 3.54 2 0 18.97-999 ?-999 ?-999 ? MN MN A 1 mASP~A 145 10.64 85.40 3.39 11.10 85.26 2.51 8.64 84.28 4.38 7.73 84.46 5.19 9.18 85.45 3.56 8.48 85.43 2.20 2 0 19.52-999 ?-999 ?-999 ? MN MN A 1 mASP~A 146 9.16 83.07 4.13 9.76 83.04 3.33 9.20 82.23 6.43 8.35 82.11 7.32 8.86 81.89 4.98 9.68 80.67 4.54 2 0 15.98-999 ?-999 ?-999 ? MN MN A 1 mLEU~A 147 10.43 82.68 6.65 10.98 82.79 5.82 10.06 84.07 8.68 9.70 83.94 9.86 10.92 82.99 8.01 12.39 83.43 7.99 3 0 16.61-999 ?-999 ?-999 ? MN MN A 1 mALA~A 148 9.77 85.12 7.91 10.22 85.11 7.02 7.57 85.59 8.81 7.11 85.83 9.92 8.88 86.19 8.35 8.63 87.18 7.20 2 0 20.13-999 ?-999 ?-999 ? MN MN A 1 mGLU~A 149 6.99 84.80 7.93 7.51 84.70 7.08 5.75 83.22 9.43 4.81 83.24 10.23 5.71 84.15 8.18 5.30 83.39 6.91 2 0 19.14-999 ?-999 ?-999 ? MN MN A 1 mLEU~A 150 6.83 82.44 9.59 7.50 82.50 8.86 7.09 82.40 12.07 6.49 82.06 13.08 6.97 81.59 10.78 8.21 80.68 10.67 3 0 16.75-999 ?-999 ?-999 ? MN MN A 1 mARG~A 151 7.87 83.47 12.01 8.22 83.67 11.09 7.03 85.13 13.71 7.15 85.72 14.78 8.19 84.26 13.18 9.43 85.11 12.90 2 0 19.50-999 ?-999 ?-999 ? MN MN A 1 mLYS~A 152 5.92 85.19 12.96 6.03 84.82 12.04 4.20 85.08 14.79 3.63 85.73 15.66 4.66 85.75 13.48 3.53 85.65 12.44 2 0 22.06-999 ?-999 ?-999 ? MN MN A 1 mASP~A 153 4.43 83.77 14.91 4.80 83.33 14.09 5.35 83.24 17.07 6.45 82.80 16.72 4.13 83.07 16.16 3.79 81.60 15.87 2 0 21.08-999 ?-999 ?-999 ? MN MN A 1 mGLU~A 154 5.16 83.87 18.24 4.21 84.12 18.42 7.03 82.92 19.64 8.26 82.92 19.73 6.29 84.17 19.15 5.84 85.02 20.35 2 0 22.66-999 ?-999 ?-999 ? MN MN A 1 mARG~A 155 6.29 81.85 19.93 5.31 82.00 19.79 7.77 79.92 19.34 8.88 79.46 19.62 6.90 80.59 20.42 5.82 79.63 20.94 2 0 20.63-999 ?-999 ?-999 ? MN MN A 1 mILE~A 156 7.30 79.88 18.10 6.36 80.22 18.01 9.33 80.29 16.70 10.42 79.80 16.46 8.12 79.38 16.98 7.28 79.18 15.69 3 0 17.22-999 ?-999 ?-999 ? MN MN A 1 mALA~A 157 9.15 81.62 16.75 8.20 81.88 16.92 11.42 82.31 17.52 12.59 82.35 17.12 10.27 82.57 16.55 9.78 84.04 16.69 2 0 19.04-999 ?-999 ?-999 ? MN MN A 1 mASP~A 158 11.06 82.04 18.77 10.07 82.05 18.92 12.74 80.42 19.62 13.91 80.27 19.94 12.04 81.77 19.83 11.34 81.76 21.19 2 0 20.15-999 ?-999 ?-999 ? MN MN A 1 mPHE~A 159 12.02 79.44 19.07 11.12 79.74 18.75 13.42 77.85 17.77 14.49 77.23 17.88 12.52 78.07 18.97 11.35 77.10 18.88 3 0 16.87-999 ?-999 ?-999 ? MN MN A 1 mILE~A 160 13.01 78.32 16.60 12.20 78.90 16.62 15.20 78.46 15.37 15.54 79.52 15.95 13.76 77.97 15.39 13.02 78.41 14.10 3 0 14.37-999 ?-999 ?-999 ? MN MN A 1 mARG.A 161 16.05 77.70 14.68 15.66 76.84 14.35 17.76 78.04 12.94 17.59 76.99 12.28 17.42 78.10 14.44 18.35 77.22 15.26 2 0 14.55-999 ?-999 ?-999 ? MN MN A 1 mTHR.A 162 18.20 79.18 12.41 18.22 79.95 13.05 20.10 79.16 10.86 20.53 78.89 9.73 18.60 79.28 11.02 18.18 80.63 10.39 2 0 14.48-999 ?-999 ?-999 ? MN MN A 1 mSER.B 18 2.81 64.56 14.46 3.22 65.04 13.68 3.28 63.23 16.48 4.35 62.86 15.95 2.18 63.84 15.62 1.24 62.73 15.14 2 0 14.47-999 ?-999 ?-999 ? MN MN A 1 mLEU^B 19 3.00 63.14 17.77 2.12 63.56 18.00 3.10 61.42 19.54 2.04 61.67 20.13 3.85 62.52 18.78 4.27 63.57 19.82 3 0 15.86-999 ?-999 ?-999 ? MN MN A 1 mARG^B 20 3.66 60.24 19.55 4.44 60.16 18.93 4.32 58.76 21.30 5.31 58.13 20.88 3.18 59.15 20.39 2.68 57.98 19.56 2 0 18.58-999 ?-999 ?-999 ? MN MN A 1 mALA.B 21 4.22 59.20 22.55 3.38 59.70 22.76 5.39 57.48 23.95 4.38 56.81 24.11 5.30 58.94 23.51 5.13 59.87 24.77 2 0 20.15-999 ?-999 ?-999 ? MN MN A 1 mGLN^B 22 6.60 56.98 24.11 7.34 57.58 23.79 6.37 55.78 26.17 6.67 56.76 26.83 6.82 55.67 24.71 8.27 55.19 24.62 2 0 22.07-999 ?-999 ?-999 ? MN MN A 1 mTHR^B 23 5.66 54.78 26.65 5.50 54.05 25.98 5.81 53.69 28.87 5.79 53.78 30.08 5.16 54.77 28.02 3.66 54.53 28.07 2 0 25.73-999 ?-999 ?-999 ? MN MN A 1 mALA^B 24 6.39 52.69 28.23 6.29 52.74 27.24 7.95 51.00 27.80 7.70 51.27 26.62 7.10 51.61 28.89 6.12 50.57 29.44 2 0 25.81-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 25 8.93 50.16 28.14 9.13 50.05 29.12 8.67 48.71 26.12 7.85 47.91 26.58 9.63 49.48 27.04 10.62 48.55 27.77 3 0 23.01-999 ?-999 ?-999 ? MN MN B 2 mGLY.B 26 8.75 48.97 24.82 9.49 49.61 24.59 6.35 48.74 23.97 5.46 48.00 23.50 7.82 48.36 23.85-999.99-999.99-999.99 1 0 19.77-999 ?-999 ?-999 ? MN MN B 2 mARG^B 27 6.07 49.88 24.58 6.86 50.36 24.97 4.67 51.84 24.39 5.50 52.61 24.87 4.71 50.37 24.68 4.12 50.12 26.08 2 0 22.05-999 ?-999 ?-999 ? MN MN B 2 mTRP^B 28 3.65 52.24 23.64 3.04 51.50 23.35 2.00 54.08 23.41 1.05 53.31 23.17 3.45 53.61 23.28 3.88 53.80 21.81 3 0 23.25-999 ?-999 ?-999 ? MN MN A 1 mASP.B 29 1.84 55.35 23.74 2.68 55.80 24.03 -0.05 55.96 22.28 0.63 56.30 21.31 0.55 56.04 23.68 0.70 57.52 23.98 2 0 23.71-999 ?-999 ?-999 ? MN MN A 1 mGLY.B 30 -1.29 55.50 22.18 -1.67 55.19 23.06 -1.66 54.27 20.01 -2.09 54.24 18.85 -2.04 55.43 20.93-999.99-999.99-999.99 1 0 23.68-999 ?-999 ?-999 ? MN MN A 1 mVAL.B 31 -0.86 53.34 20.52 -0.55 53.54 21.45 -1.00 50.93 20.54 -0.62 50.69 21.71 -0.50 52.14 19.78 1.03 52.01 19.58 3 0 21.60-999 ?-999 ?-999 ? MN MN B 2 mALA.B 32 -1.81 50.14 19.87 -1.95 50.41 18.91 -1.60 47.73 20.30 -1.05 47.48 19.24 -2.43 48.98 20.49 -3.84 48.78 19.95 2 0 21.02-999 ?-999 ?-999 ? MN MN B 2 mVAL.B 33 -1.48 46.94 21.35 -1.91 47.30 22.19 -1.75 44.61 20.77 -2.81 44.45 21.36 -0.78 45.66 21.27 -0.25 45.24 22.65 3 0 18.97-999 ?-999 ?-999 ? MN MN B 2 mMET^B 34 -1.40 43.88 19.71 -0.48 44.10 19.37 -1.63 41.48 19.22 -0.73 41.16 18.46 -2.29 42.86 19.13 -2.64 43.21 17.69 2 0 17.29-999 ?-999 ?-999 ? MN MN B 2 mPRO^B 35 -2.04 40.67 20.20 -2.76 41.00 20.80 -1.79 38.49 19.13 -2.92 38.60 18.67 -1.36 39.36 20.28 -1.83 38.77 21.63 3 0 16.71-999 ?-999 ?-999 ? MN MN B 2 mTYR.B 36 -0.91 37.64 18.64 0.01 37.72 19.02 -2.02 35.54 18.31 -1.61 35.09 19.38 -1.30 36.69 17.62 -0.11 36.16 16.84 3 0 14.60-999 ?-999 ?-999 ? MN MN B 2 mLYS.B 37 -3.10 35.07 17.69 -3.27 35.45 16.78 -3.24 32.75 18.32 -2.81 32.24 17.29 -3.96 34.08 18.31 -5.29 33.97 17.56 2 0 17.33-999 ?-999 ?-999 ? MN MN B 2 mGLN.B 38 -3.13 32.20 19.52 -3.70 32.64 20.21 -3.10 29.79 19.69 -3.83 29.49 20.61 -2.26 31.07 19.79 -1.70 31.26 21.20 2 0 17.90-999 ?-999 ?-999 ? MN MN B 2 mTHR.B 39 -2.99 29.09 18.56 -2.43 29.53 17.86 -2.66 26.62 18.52 -1.46 26.76 18.22 -3.66 27.78 18.36 -4.35 27.65 16.96 2 0 19.31-999 ?-999 ?-999 ? MN MN B 2 mALA.B 40 -3.17 25.47 18.97 -4.16 25.49 19.11 -1.41 23.94 18.07 -0.28 23.50 18.31 -2.35 24.29 19.24 -3.25 23.10 19.58 2 0 20.95-999 ?-999 ?-999 ? MN MN B 2 mGLU.B 41 -1.90 24.13 16.84 -2.86 24.42 16.83 -0.13 25.10 15.24 0.62 24.99 14.27 -1.11 23.94 15.60 -2.06 23.73 14.42 2 0 18.68-999 ?-999 ?-999 ? MN MN B 2 mALA.B 42 -0.13 26.19 16.01 -0.60 26.09 16.89 2.01 27.26 15.39 2.67 26.67 16.26 0.51 27.44 15.55 0.22 28.60 16.49 2 0 15.38-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 43 2.57 27.78 14.29 1.92 28.22 13.66 4.80 28.77 14.78 5.98 28.91 14.52 3.99 27.70 14.03 4.07 27.94 12.52 3 0 12.67-999 ?-999 ?-999 ? MN MN B 2 mPHE.B 44 4.17 29.50 15.68 3.20 29.26 15.77 4.34 30.38 17.89 3.36 29.68 18.16 4.81 30.54 16.47 4.40 31.93 15.98 3 0 12.01-999 ?-999 ?-999 ? MN MN B 2 mGLN^B 45 5.02 31.05 18.81 5.79 31.57 18.44 4.84 32.36 20.91 5.96 32.87 21.02 4.67 31.02 20.22 5.52 29.96 20.96 2 0 14.84-999 ?-999 ?-999 ? MN MN B 2 mASP^B 46 3.73 32.88 21.41 2.91 32.38 21.13 4.29 35.32 21.64 5.26 35.90 22.17 3.68 34.04 22.28 4.33 33.73 23.63 2 0 16.07-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 47 3.68 35.74 20.53 2.89 35.18 20.29 2.95 37.88 19.63 1.76 37.47 19.53 4.12 36.88 19.73 4.54 36.47 18.30 3 0 13.22-999 ?-999 ?-999 ? MN MN B 2 mSER^B 48 3.30 39.16 19.68 4.27 39.31 19.89 2.90 41.24 18.43 4.11 41.31 18.18 2.36 40.26 19.46 2.11 41.01 20.74 2 0 14.08-999 ?-999 ?-999 ? MN MN B 2 mARG^B 49 1.98 42.04 17.88 1.04 41.90 18.18 1.80 44.38 17.24 0.70 44.49 17.82 2.36 43.04 16.90 1.88 42.65 15.50 2 0 12.98-999 ?-999 ?-999 ? MN MN B 2 mGLN^B 50 2.56 45.42 16.85 3.42 45.16 16.42 2.55 47.54 15.77 3.63 47.36 15.24 2.18 46.80 17.04 2.91 47.45 18.24 2 0 15.22-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 51 1.64 48.35 15.29 0.79 48.36 15.82 2.32 50.51 14.44 1.57 51.30 15.03 1.88 49.13 14.08 0.62 49.19 13.21 3 0 15.44-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 52 3.59 50.80 14.16 4.08 50.09 13.65 3.90 53.14 13.50 3.45 54.23 13.80 4.16 52.09 14.59 5.63 51.95 14.86 3 0 17.21-999 ?-999 ?-999 ? MN MN B 2 mPHE^B 53 4.19 52.80 12.24 4.57 51.88 12.13 3.41 53.08 9.90 4.01 52.10 9.45 3.94 53.79 11.14 5.22 54.47 10.72 3 0 16.42-999 ?-999 ?-999 ? MN MN A 1 mALA.B 54 2.33 53.63 9.34 1.89 54.32 9.91 1.10 54.43 7.48 0.33 55.09 8.22 1.85 53.22 8.01 0.95 51.99 8.07 2 0 17.58-999 ?-999 ?-999 ? MN MN A 1 mASP.B 55 1.39 54.82 6.24 2.03 54.23 5.74 0.77 55.96 4.20 1.65 55.34 3.63 0.78 56.04 5.72 1.59 57.25 6.20 2 0 16.31-999 ?-999 ?-999 ? MN MN A 1 mPRO.B 56 -0.25 56.55 3.55 -0.90 57.06 4.11 0.93 56.95 1.36 1.28 56.45 0.27 -0.31 56.40 2.08 -1.55 57.19 1.68 3 0 17.50-999 ?-999 ?-999 ? MN MN A 1 mASN.B 57 1.59 57.93 1.96 1.18 58.23 2.83 4.14 57.81 1.83 5.23 58.23 1.44 2.81 58.50 1.40 2.86 59.99 1.69 2 0 14.15-999 ?-999 ?-999 ? MN MN A 1 mLEU.B 58 4.05 56.74 2.61 3.11 56.50 2.86 5.23 54.67 2.36 4.26 53.92 2.47 5.24 56.02 3.03 5.26 55.90 4.56 3 0 13.70-999 ?-999 ?-999 ? MN MN A 1 mALA.B 59 6.33 54.34 1.69 7.11 54.95 1.80 6.54 51.88 1.72 6.38 50.79 1.20 6.36 53.17 0.88 7.49 53.31 -0.21 2 0 16.11-999 ?-999 ?-999 ? MN MN A 1 mCYH^B 60 6.91 52.03 2.98 7.03 52.99 3.27 6.26 51.06 5.11 5.75 52.14 5.38 7.13 50.92 3.88 8.58 50.88 4.32 2 0 14.33-999 ?-999 ?-999 ? MN MN B 2 mGLU^B 61 6.10 49.95 5.83 6.50 49.14 5.42 6.42 49.56 8.16 7.35 48.83 7.88 5.40 49.93 7.12 4.28 48.94 7.11 2 0 13.28-999 ?-999 ?-999 ? MN MN B 2 mTRP^B 62 6.25 50.10 9.35 5.40 50.63 9.43 6.43 49.37 11.59 5.48 49.99 12.09 7.22 49.94 10.43 7.78 51.33 10.75 3 0 13.19-999 ?-999 ?-999 ? MN MN B 2 mARG^B 63 6.79 48.16 11.99 7.57 47.78 11.49 7.06 47.14 14.21 8.27 47.26 14.08 6.09 47.46 13.06 5.46 46.17 12.57 2 0 12.04-999 ?-999 ?-999 ? MN MN B 2 mTYR^B 64 6.48 46.79 15.35 5.49 46.90 15.35 6.63 44.96 16.85 5.43 44.92 17.12 7.27 46.28 16.47 7.26 47.25 17.63 3 0 12.85-999 ?-999 ?-999 ? MN MN B 2 mPHE^B 65 7.43 43.90 16.84 8.35 44.12 16.51 7.62 42.25 18.62 8.77 42.60 18.86 7.00 42.57 17.27 7.42 41.53 16.25 3 0 11.30-999 ?-999 ?-999 ? MN MN B 2 mGLU^B 66 6.85 41.62 19.50 5.91 41.45 19.20 7.13 39.76 21.00 6.00 39.31 20.90 7.37 41.24 20.78 6.70 42.03 21.87 2 0 13.94-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 67 8.22 39.03 21.28 9.05 39.58 21.32 8.35 37.41 23.01 9.35 37.86 23.57 8.18 37.57 21.51 9.31 36.87 20.73 3 0 14.00-999 ?-999 ?-999 ? MN MN B 2 mASP^B 68 7.35 36.85 23.70 6.55 36.59 23.15 8.65 35.69 25.40 9.02 34.91 24.54 7.46 36.64 25.15 6.21 35.98 25.74 2 0 17.69-999 ?-999 ?-999 ? MN MN B 2 mGLU^B 69 9.20 35.77 26.62 8.81 36.48 27.20 9.89 33.43 26.79 8.81 33.01 27.17 10.29 34.88 27.04 10.57 35.10 28.53 2 0 19.65-999 ?-999 ?-999 ? MN MN B 2 mGLY^B 70 10.75 32.69 26.10 11.60 33.17 25.87 9.83 31.16 24.38 9.79 30.03 23.84 10.47 31.33 25.73-999.99-999.99-999.99 1 0 19.15-999 ?-999 ?-999 ? MN MN B 2 mGLY^B 71 9.31 32.25 23.81 9.44 33.11 24.30 9.44 32.19 21.30 10.66 32.27 21.34 8.60 32.14 22.55-999.99-999.99-999.99 1 0 15.85-999 ?-999 ?-999 ? MN MN B 2 mTYR^B 72 8.76 32.14 20.15 7.77 32.03 20.25 8.49 32.73 17.78 7.29 32.52 17.85 9.42 32.26 18.87 10.05 30.94 18.43 3 0 12.36-999 ?-999 ?-999 ? MN MN B 2 mSER.B 73 9.07 33.37 16.78 10.05 33.52 16.92 8.27 32.65 14.61 9.00 31.67 14.75 8.33 33.81 15.59 8.99 35.02 14.94 2 0 8.78-999 ?-999 ?-999 ? MN MN B 2 mTHR.B 74 7.41 32.74 13.61 6.90 33.60 13.54 8.46 31.47 11.74 8.93 32.46 11.15 7.28 31.59 12.72 5.94 31.51 11.96 2 0 7.90-999 ?-999 ?-999 ? MN MN B 2 mLEU.B 75 8.95 30.24 11.60 8.55 29.55 12.20 9.42 30.08 9.26 8.47 29.39 8.92 10.00 29.95 10.66 10.55 28.54 10.88 3 0 7.95-999 ?-999 ?-999 ? MN MN B 2 mGLU.B 76 10.01 30.94 8.45 10.86 31.33 8.81 10.44 31.89 6.23 11.56 32.26 6.61 9.45 31.27 7.17 8.27 32.24 7.35 2 0 -5.98-999 ?-999 ?-999 ? MN MN B 2s mARG.B 77 10.04 31.98 4.98 9.19 31.49 4.77 9.84 33.39 3.00 8.68 33.00 2.94 10.79 32.75 4.01 11.87 31.91 3.33 2 0 5.92-999 ?-999 ?-999 ? MN MN B 2 mHIS.B 78 10.34 34.38 2.27 11.30 34.58 2.49 10.49 35.97 0.41 11.62 36.22 0.80 9.57 35.12 1.26 8.52 36.01 1.91 3 0 -6.66-999 ?-999 ?-999 ? MN MN B 2s mALA.B 79 10.01 36.44 -0.74 9.08 36.14 -0.96 11.13 38.67 -0.89 12.23 39.17 -1.02 10.81 37.33 -1.58 10.14 37.59 -2.94 2 0 9.27-999 ?-999 ?-999 ? MN MN B 2 mHIS.B 80 10.15 39.26 -0.19 9.31 38.72 -0.08 11.41 40.55 1.48 11.52 39.55 2.19 10.35 40.61 0.37 9.03 41.26 0.84 3 0 8.02-999 ?-999 ?-999 ? MN MN B 2 mVAL.B 81 12.18 41.62 1.60 11.93 42.35 0.96 12.75 42.31 3.88 11.69 42.95 3.90 13.28 41.72 2.57 14.45 42.61 2.03 3 0 7.83-999 ?-999 ?-999 ? MN MN B 2 mHIS^B 82 13.48 42.11 4.97 14.30 41.55 4.82 14.32 43.47 6.71 15.46 42.97 6.63 13.10 42.66 6.26 12.96 41.58 7.35 3 0 -6.77-999 ?-999 ?-999 ? MN MN B 2s mALA^B 83 14.06 44.68 7.23 13.12 44.99 7.08 14.62 45.43 9.38 13.50 45.86 9.68 15.08 45.45 7.93 15.18 46.86 7.38 2 0 10.07-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 84 15.43 44.82 10.25 16.30 44.53 9.84 16.07 45.29 12.59 17.28 45.25 12.33 15.07 44.61 11.66 15.08 43.08 11.97 3 0 10.24-999 ?-999 ?-999 ? MN MN B 2 mMET^B 85 15.58 45.90 13.65 14.59 46.01 13.66 15.89 45.87 16.01 14.72 46.12 16.32 16.46 46.36 14.71 16.52 47.89 14.69 2 0 13.65-999 ?-999 ?-999 ? MN MN B 2 mILE^B 86 16.74 45.28 16.84 17.68 45.22 16.53 15.95 45.97 19.00 16.73 46.95 19.06 16.25 44.78 18.12 17.30 43.84 18.79 3 0 14.74-999 ?-999 ?-999 ? MN MN B 2 mHIS^B 87 14.82 45.94 19.66 14.30 45.10 19.54 14.34 46.76 22.00 14.52 47.68 22.81 14.39 47.05 20.50 13.02 47.53 20.05 3 0 17.03-999 ?-999 ?-999 ? MN MN B 2 mARG^B 88 14.12 45.53 22.38 14.11 44.86 21.63 14.44 43.81 24.02 14.27 42.96 23.19 13.91 45.22 23.80 12.42 45.32 24.14 2 0 18.68-999 ?-999 ?-999 ? MN MN B 2 mGLY^B 89 15.12 43.62 25.16 15.29 44.44 25.70 16.67 41.72 24.71 17.52 42.45 24.15 15.58 42.30 25.56-999.99-999.99-999.99 1 0 19.73-999 ?-999 ?-999 ? MN MN B 2 mHIS^B 90 16.70 40.39 24.65 16.01 39.92 25.20 17.29 38.30 23.56 16.36 37.77 24.18 17.68 39.71 23.83 19.13 39.81 24.39 3 0 18.48-999 ?-999 ?-999 ? MN MN B 2 mGLY^B 91 18.00 37.71 22.62 18.79 38.22 22.30 18.54 35.94 21.05 19.73 36.30 21.04 17.61 36.41 22.13-999.99-999.99-999.99 1 0 16.81-999 ?-999 ?-999 ? MN MN B 2 mGLN^B 92 18.00 35.13 20.14 17.03 34.91 20.30 17.92 34.65 17.77 16.68 34.67 17.84 18.75 34.62 19.01 19.23 33.15 19.23 2 0 15.10-999 ?-999 ?-999 ? MN MN B 2 mCYH^B 93 18.58 34.61 16.63 19.57 34.69 16.72 18.55 33.53 14.41 19.77 33.41 14.39 17.86 34.46 15.38 17.61 35.82 14.72 2 0 11.94-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 94 17.75 32.86 13.59 16.79 32.88 13.84 17.99 33.01 11.27 16.84 33.43 11.12 18.28 32.15 12.44 17.59 30.80 12.22 3 0 11.45-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 95 19.01 33.29 10.47 19.90 33.06 10.86 19.74 33.08 8.17 20.98 33.15 8.19 18.88 33.88 9.15 19.33 35.36 9.14 3 0 10.31-999 ?-999 ?-999 ? MN MN B 2 mGLY.B 96 19.06 32.31 7.32 18.07 32.31 7.48 20.37 30.36 6.90 19.68 29.46 7.38 19.72 31.56 6.27-999.99-999.99-999.99 1 0 11.97-999 ?-999 ?-999 ? MN MN B 2 mGLU.B 97 21.70 30.37 6.95 22.12 31.17 6.51 22.94 29.70 8.97 23.43 28.86 9.71 22.45 29.30 7.58 23.65 28.87 6.72 2 0 15.39-999 ?-999 ?-999 ? MN MN B 2 mTHR^B 98 22.80 30.98 9.34 22.17 31.51 8.76 22.62 31.81 11.68 21.59 32.46 11.55 23.51 31.52 10.48 24.19 32.83 10.09 2 0 15.63-999 ?-999 ?-999 ? MN MN B 2 mILE^B 99 23.05 31.32 12.84 23.88 30.76 12.77 23.19 32.60 14.82 24.39 32.36 15.08 22.36 31.56 14.09 22.28 30.29 14.95 3 0 15.70-999 ?-999 ?-999 ? MN MN B 2 mSER^B 100 22.56 33.74 15.14 21.60 33.77 14.85 22.57 35.15 17.18 21.35 35.06 17.35 23.22 34.83 15.85 23.24 36.10 14.99 2 0 16.41-999 ?-999 ?-999 ? MN MN B 2 mASP^B 101 23.37 35.54 18.13 24.34 35.35 17.96 22.45 37.63 18.92 23.19 38.31 18.18 22.87 36.20 19.32 23.96 36.28 20.38 2 0 18.01-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 102 21.31 38.07 19.41 20.79 37.41 19.94 20.47 40.12 20.45 19.87 39.51 21.35 20.87 39.42 19.17 19.71 39.46 18.13 3 0 16.56-999 ?-999 ?-999 ? MN MN B 2 mALA^B 103 20.83 41.39 20.55 21.30 41.72 19.73 20.11 43.60 21.30 20.17 43.91 20.10 20.58 42.24 21.73 21.89 42.41 22.57 2 0 18.81-999 ?-999 ?-999 ? MN MN B 2 mGLN.B 104 19.72 44.42 22.29 19.83 44.02 23.20 20.02 46.54 21.05 21.21 46.66 21.21 19.19 45.77 22.07 19.16 46.56 23.39 2 0 19.54-999 ?-999 ?-999 ? MN MN B 2 mGLY.B 105 19.37 47.05 20.00 18.39 46.83 19.97 20.57 47.15 17.78 20.88 47.82 16.77 20.03 47.87 19.01-999.99-999.99-999.99 1 0 18.98-999 ?-999 ?-999 ? MN MN B 2 mASP.B 106 20.70 45.82 17.84 20.30 45.39 18.65 20.58 45.22 15.43 19.36 45.18 15.48 21.39 45.11 16.75 21.60 43.65 17.09 2 0 17.13-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 107 21.27 45.41 14.31 22.26 45.48 14.46 20.76 44.14 12.29 21.86 43.59 12.12 20.66 45.50 13.00 21.37 46.55 12.14 3 0 15.09-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 108 19.62 43.63 11.85 18.81 44.17 12.10 18.87 42.72 9.78 17.76 43.27 9.76 19.56 42.40 11.09 18.78 41.33 11.87 3 0 12.04-999 ?-999 ?-999 ? MN MN B 2 mPHE^B 109 19.54 42.39 8.68 20.48 42.10 8.83 18.65 41.04 6.91 19.53 40.15 6.99 18.92 42.46 7.37 19.82 43.18 6.38 3 0 10.98-999 ?-999 ?-999 ? MN MN B 2 mILE^B 110 17.41 40.79 6.46 16.80 41.59 6.50 16.76 39.57 4.46 15.80 40.20 4.01 17.00 39.47 5.97 15.78 38.92 6.73 3 0 8.21-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 111 17.67 38.98 3.66 18.38 38.43 4.10 16.48 38.26 1.62 15.94 37.44 2.33 17.55 39.18 2.21 18.96 38.83 1.67 3 0 10.05-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 112 16.20 38.38 0.32 16.77 39.01 -0.20 15.27 36.06 -0.10 16.40 35.55 -0.13 15.11 37.58 -0.23 15.11 37.98 -1.70 3 0 9.75-999 ?-999 ?-999 ? MN MN B 2 mMET.B 113 14.13 35.40 0.06 13.35 36.02 0.14 15.02 33.27 1.02 15.68 32.30 0.61 13.97 33.94 0.13 13.95 33.31 -1.27 2 0 9.39-999 ?-999 ?-999 ? MN MN B 2 mTHR.B 114 15.17 33.83 2.21 14.60 34.64 2.35 15.23 32.92 4.43 14.42 33.71 4.92 16.07 33.33 3.22 17.05 34.46 3.60 2 0 8.97-999 ?-999 ?-999 ? MN MN B 2 mTRP.B 115 15.38 31.68 4.89 16.03 31.12 4.37 15.06 32.06 7.24 16.23 32.46 7.34 14.66 31.19 6.05 14.99 29.72 6.33 3 0 8.24-999 ?-999 ?-999 ? MN MN B 2 mHIS^B 116 14.11 32.35 8.12 13.20 32.04 7.87 13.47 32.80 10.45 12.31 32.43 10.24 14.43 33.09 9.34 14.50 34.61 9.03 3 0 -6.86-999 ?-999 ?-999 ? MN MN B 2s mGLN^B 117 13.98 32.94 11.67 14.95 33.17 11.70 13.89 33.45 14.01 15.12 33.38 14.12 13.18 32.76 12.85 13.00 31.26 13.14 2 0 7.96-999 ?-999 ?-999 ? MN MN B 2 mPHE^B 118 13.10 34.10 14.86 12.15 34.12 14.57 13.09 33.92 17.29 11.91 33.57 17.37 13.57 34.72 16.09 13.03 36.17 16.17 3 0 9.88-999 ?-999 ?-999 ? MN MN B 2 mARG^B 119 13.98 33.70 18.26 14.91 34.00 18.03 14.00 33.90 20.76 15.09 34.43 20.85 13.63 33.06 19.53 14.33 31.69 19.61 2 0 13.41-999 ?-999 ?-999 ? MN MN B 2 mALA.B 120 13.09 34.00 21.70 12.19 33.65 21.43 13.94 33.44 23.88 13.32 33.07 24.85 13.36 34.58 23.00 12.09 35.12 23.63 2 0 16.19-999 ?-999 ?-999 ? MN MN B 2 mASN.B 121 15.11 32.95 23.52 15.51 33.44 22.74 16.93 32.13 25.08 17.83 31.30 25.24 15.72 31.79 24.21 16.10 30.73 23.18 2 0 18.67-999 ?-999 ?-999 ? MN MN B 2 mARG.B 122 16.95 33.32 25.64 16.14 33.87 25.46 17.67 34.37 27.75 18.39 35.18 28.32 18.09 33.75 26.45 18.96 34.70 25.61 2 0 21.14-999 ?-999 ?-999 ? MN MN B 2 mGLY.B 123 16.47 34.01 28.22 15.91 33.50 27.57 15.37 35.71 29.73 15.27 36.29 30.83 16.05 34.37 29.60-999.99-999.99-999.99 1 0 23.24-999 ?-999 ?-999 ? MN MN B 2 mASP.B 124 14.90 36.19 28.59 14.99 35.58 27.81 13.26 37.45 27.37 13.24 36.51 26.57 14.30 37.51 28.50 15.40 38.51 28.13 2 0 21.53-999 ?-999 ?-999 ? MN MN B 2 mCYH.B 125 12.41 38.46 27.30 12.40 39.06 28.11 12.48 39.20 25.04 13.64 39.52 25.32 11.56 38.65 26.13 10.41 39.60 26.43 2 0 18.76-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 126 11.98 39.24 23.81 11.05 38.89 23.75 11.72 40.56 21.81 10.73 40.00 21.36 12.72 39.76 22.65 13.26 38.63 21.78 3 0 15.69-999 ?-999 ?-999 ? MN MN B 2 mGLY^B 127 11.99 41.85 21.63 12.84 42.12 22.08 11.99 43.40 19.77 13.16 43.78 20.03 11.14 42.77 20.85-999.99-999.99-999.99 1 0 14.51-999 ?-999 ?-999 ? MN MN B 2 mPHE^B 128 11.45 43.48 18.57 10.53 43.10 18.47 11.33 44.93 16.58 10.16 44.61 16.40 12.20 44.09 17.50 12.97 43.06 16.69 3 0 12.42-999 ?-999 ?-999 ? MN MN B 2 mLEU^B 129 11.97 45.97 16.02 12.88 46.12 16.40 11.54 46.08 13.68 12.60 45.46 13.43 11.38 46.80 14.97 12.13 48.15 14.89 3 0 12.28-999 ?-999 ?-999 ? MN MN B 2 mCYH^B 130 10.56 46.20 12.80 9.79 46.77 13.09 10.06 46.49 10.46 8.95 46.97 10.64 10.63 45.53 11.51 9.79 44.27 11.56 2 0 9.29-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 131 10.85 46.79 9.45 11.76 46.37 9.53 10.39 46.78 7.08 11.39 46.09 6.75 10.43 47.64 8.33 11.35 48.83 8.19 3 0 10.50-999 ?-999 ?-999 ? MN MN B 2 mVAL^B 132 9.25 46.83 6.39 8.57 47.44 6.78 8.29 46.90 4.14 7.63 47.87 4.53 9.03 46.03 5.16 8.20 44.76 5.43 3 0 9.12-999 ?-999 ?-999 ? MN MN B 2 mASN^B 133 8.43 46.60 2.85 9.08 45.87 2.66 6.16 47.09 2.05 5.75 46.02 2.47 7.66 47.33 1.83 8.04 46.85 0.42 2 0 11.71-999 ?-999 ?-999 ? MN MN B 2 mALA.B 134 5.36 48.09 1.75 5.83 48.88 1.37 3.34 46.97 1.01 2.42 46.26 1.34 3.91 48.01 1.98 3.23 49.42 1.76 2 0 13.27-999 ?-999 ?-999 ? MN MN B 2 mALA.B 135 3.95 46.85 -0.17 4.74 47.45 -0.28 4.46 44.74 -1.15 5.63 44.92 -1.42 3.51 45.89 -1.20 3.55 46.53 -2.56 2 0 13.59-999 ?-999 ?-999 ? MN MN B 2 mARG.B 136 3.99 43.58 -0.75 3.00 43.55 -0.59 4.14 41.12 -0.62 2.93 41.04 -0.37 4.88 42.45 -0.57 5.61 42.59 0.77 2 0 10.61-999 ?-999 ?-999 ? MN MN B 2 mASP.B 137 4.91 40.08 -0.90 5.87 40.31 -1.07 4.17 38.14 0.44 4.71 38.64 1.45 4.39 38.73 -0.96 5.32 37.84 -1.81 2 0 9.93-999 ?-999 ?-999 ? MN MN B 2 mARG.B 138 3.38 37.08 0.50 3.08 36.77 -0.41 4.09 35.47 2.20 4.81 34.92 1.39 3.00 36.44 1.74 1.69 35.66 1.56 2 0 8.58-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 139 4.18 35.22 3.50 3.55 35.71 4.10 4.98 32.86 3.42 3.83 32.47 3.22 5.21 34.28 3.94 5.06 34.31 5.47 3 0 6.19-999 ?-999 ?-999 ? MN MN B 2 mGLN.B 140 6.07 32.13 3.20 6.92 32.64 3.32 6.56 29.88 3.96 7.68 30.12 4.47 6.03 30.72 2.81 6.84 30.47 1.53 2 0 8.69-999 ?-999 ?-999 ? MN MN B 2 mLEU.B 141 5.75 28.91 4.40 4.86 28.87 3.94 6.91 26.79 4.88 6.72 26.41 3.71 6.14 28.00 5.46 4.92 27.55 6.26 3 0 9.97-999 ?-999 ?-999 ? MN MN B 2 mPRO.B 142 7.79 26.19 5.68 7.85 26.55 6.62 7.76 23.82 4.95 6.93 23.48 5.78 8.59 25.08 5.18 9.62 24.85 6.28 3 0 12.41-999 ?-999 ?-999 ? MN MN B 2 mTHR~B 143 7.99 23.16 3.82 8.58 23.65 3.18 8.18 20.76 4.31 9.20 21.05 4.95 7.41 21.83 3.55 7.45 21.49 2.04 2 0 16.02-999 ?-999 ?-999 ? MN MN B 2 mALA~B 144 7.69 19.53 4.23 6.82 19.46 3.74 9.81 18.31 4.28 10.73 17.99 5.03 8.38 18.39 4.81 7.62 17.10 4.50 2 0 19.06-999 ?-999 ?-999 ? MN MN B 2 mASP~B 145 9.98 18.61 2.99 9.14 18.85 2.52 12.23 19.64 2.85 13.41 19.36 3.11 11.29 18.57 2.34 11.16 18.71 0.82 2 0 19.49-999 ?-999 ?-999 ? MN MN B 2 mASP~B 146 11.71 20.86 2.95 10.76 20.92 2.64 13.03 21.68 4.84 14.22 21.95 5.09 12.46 21.99 3.46 11.57 23.24 3.51 2 0 16.11-999 ?-999 ?-999 ? MN MN B 2 mLEU~B 147 12.22 21.10 5.73 11.30 20.91 5.38 13.80 19.73 7.13 14.73 19.81 7.95 12.69 20.79 7.10 11.52 20.38 8.00 3 0 16.81-999 ?-999 ?-999 ? MN MN B 2 mALA~B 148 13.69 18.72 6.26 12.84 18.72 5.73 16.04 18.39 5.64 17.11 18.13 6.20 14.75 17.71 6.13 14.32 16.58 5.18 2 0 20.33-999 ?-999 ?-999 ? MN MN B 2 mGLU~B 149 15.92 19.27 4.64 14.99 19.36 4.29 17.80 20.82 5.21 19.02 20.75 5.35 17.08 20.03 4.12 16.67 20.99 2.99 2 0 19.21-999 ?-999 ?-999 ? MN MN B 2 mLEU~B 150 17.02 21.57 5.98 16.05 21.53 5.75 18.13 21.54 8.22 19.11 21.96 8.84 17.55 22.37 7.07 16.47 23.31 7.64 3 0 17.03-999 ?-999 ?-999 ? MN MN B 2 mARG~B 151 17.52 20.40 8.52 16.73 20.18 7.95 19.28 18.76 9.23 19.76 17.98 10.05 18.02 19.55 9.60 16.92 18.61 10.12 2 0 19.84-999 ?-999 ?-999 ? MN MN B 2 mLYS.B 152 19.83 18.96 8.02 19.27 19.50 7.40 22.25 19.09 8.51 23.30 18.51 8.74 21.16 18.39 7.70 21.49 18.49 6.20 2 0 22.28-999 ?-999 ?-999 ? MN MN B 2 mASP~B 153 21.98 20.34 8.93 21.16 20.74 8.53 22.33 20.79 11.31 21.21 21.14 11.65 22.84 21.05 9.89 22.81 22.56 9.59 2 0 21.25-999 ?-999 ?-999 ? MN MN B 2 mGLU~B 154 23.17 20.20 12.16 24.08 20.02 11.77 22.41 21.10 14.36 21.45 21.09 15.13 22.78 19.85 13.53 23.88 19.03 14.23 2 0 22.81-999 ?-999 ?-999 ? MN MN B 2 mARG~B 155 23.18 22.18 14.18 23.91 22.04 13.51 21.58 24.01 14.60 20.85 24.44 15.50 22.97 23.44 14.90 24.05 24.45 14.53 2 0 20.79-999 ?-999 ?-999 ? MN MN B 2 mILE~B 156 21.22 24.00 13.32 21.93 23.65 12.71 18.78 23.54 13.38 17.77 24.01 13.88 19.91 24.45 12.88 19.89 24.59 11.34 3 0 17.46-999 ?-999 ?-999 ? MN MN B 2 mALA~B 157 18.99 22.22 13.30 19.87 21.96 12.90 17.64 21.49 15.24 16.47 21.44 15.62 18.00 21.26 13.77 18.51 19.82 13.57 2 0 19.24-999 ?-999 ?-999 ? MN MN B 2 mASP~B 158 18.66 21.71 16.06 19.56 21.65 15.62 17.73 23.35 17.71 16.93 23.49 18.65 18.47 22.00 17.48 19.83 22.05 18.17 2 0 20.38-999 ?-999 ?-999 ? MN MN B 2 mPHE~B 159 18.00 24.32 16.85 18.54 24.03 16.07 16.06 25.90 16.65 15.29 26.52 17.40 17.52 25.67 17.07 18.40 26.66 16.31 3 0 17.09-999 ?-999 ?-999 ? MN MN B 2 mILE~B 160 15.70 25.41 15.47 16.36 24.81 15.03 13.22 25.21 15.70 13.29 24.16 16.37 14.41 25.74 14.90 14.27 25.33 13.40 3 0 14.57-999 ?-999 ?-999 ? MN MN B 2 mARG.B 161 12.14 25.96 15.63 12.26 26.81 15.11 9.76 25.66 15.26 9.58 26.67 14.58 10.90 25.58 16.27 10.60 26.45 17.49 2 0 14.64-999 ?-999 ?-999 ? MN MN B 2 mTHR.B 162 8.98 24.58 15.17 9.30 23.81 15.72 6.62 24.30 15.29 5.49 24.44 14.88 7.79 24.54 14.35 7.86 23.41 13.31 2 0 14.47-999 ?-999 ?-999 ? MN MN B 2